
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  142 ( 1166),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1073),  selected  132 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.61     0.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.61     0.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.61     0.61
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     D     3_A     D     3_A    132  132  132      4   52  119  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V     4_A     V     4_A    132  132  132     16  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D     5_A     D     5_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     6_A     K     6_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R     7_A     R     7_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     8_A     K     8_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I     9_A     I     9_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    10_A     K    10_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    11_A     I    11_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    12_A     I    12_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    13_A     L    13_A    132  132  132     85  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    14_A     N    14_A    132  132  132     12   28  120  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    15_A     G    15_A    132  132  132     55  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    16_A     E    16_A    132  132  132     30  119  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    17_A     M    17_A    132  132  132     55  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    18_A     E    18_A    132  132  132     85  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    19_A     E    19_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    20_A     A    20_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    21_A     E    21_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    22_A     L    22_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    23_A     H    23_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    24_A     M    24_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    25_A     I    25_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    26_A     T    26_A    132  132  132     85  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    27_A     S    27_A    132  132  132     40  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    28_A     P    28_A    132  132  132      4  115  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    29_A     N    29_A    132  132  132     47  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    30_A     R    30_A    132  132  132      4  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    31_A     H    31_A    132  132  132     40  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    32_A     C    32_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    33_A     C    33_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    34_A     L    34_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    35_A     K    35_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    36_A     I    36_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    37_A     F    37_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    38_A     H    38_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    39_A     N    39_A    132  132  132     85  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    40_A     N    40_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    41_A     N    41_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    42_A     Q    42_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    43_A     L    43_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    44_A     A    44_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    45_A     E    45_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    46_A     S    46_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    47_A     N    47_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    48_A     D    48_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    49_A     T    49_A    132  132  132     73  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    50_A     D    50_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    51_A     Y    51_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    52_A     F    52_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    53_A     S    53_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    54_A     C    54_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    55_A     F    55_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    56_A     A    56_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    57_A     D    57_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    58_A     L    58_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    59_A     R    59_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    60_A     N    60_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    61_A     Q    61_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    62_A     L    62_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    63_A     K    63_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    64_A     N    64_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    65_A     I    65_A    132  132  132     85  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    66_A     I    66_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    67_A     F    67_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    68_A     L    68_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    69_A     C    69_A    132  132  132     58  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    70_A     K    70_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    71_A     G    71_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    72_A     A    72_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    73_A     K    73_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    74_A     I    74_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    75_A     N    75_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    76_A     V    76_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    77_A     Y    77_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    78_A     P    78_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    79_A     S    79_A    132  132  132     55  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    80_A     A    80_A    132  132  132     13  118  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    81_A     M    81_A    132  132  132     73  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    82_A     S    82_A    132  132  132     55  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    83_A     R    83_A    132  132  132     51  118  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    84_A     D    84_A    132  132  132     32  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    85_A     M    85_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    86_A     S    86_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    87_A     D    87_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    88_A     G    88_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    89_A     I    89_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    90_A     V    90_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    91_A     A    91_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    92_A     Y    92_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    93_A     E    93_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    94_A     T    94_A    132  132  132     83  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    95_A     T    95_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    96_A     L    96_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    97_A     G    97_A    132  132  132     75  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    98_A     Q    98_A    132  132  132     20  118  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    99_A     P    99_A    132  132  132     10  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G   100_A     G   100_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   101_A     L   101_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   102_A     P   102_A    132  132  132     73  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   103_A     E   103_A    132  132  132     23  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N   104_A     N   104_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   105_A     Q   105_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   106_A     V   106_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H   107_A     H   107_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I   108_A     I   108_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   109_A     F   109_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   110_A     D   110_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   111_A     F   111_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   112_A     E   112_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   113_A     D   113_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   114_A     K   114_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y   115_A     Y   115_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   116_A     V   116_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   117_A     D   117_A    132  132  132     82  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I   118_A     I   118_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T   119_A     T   119_A    132  132  132     82  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   120_A     P   120_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   121_A     E   121_A    132  132  132     82  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   122_A     E   122_A    132  132  132     75  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   123_A     Q   123_A    132  132  132     87  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R   124_A     R   124_A    132  132  132     85  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   125_A     K   125_A    132  132  132     58  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   126_A     F   126_A    132  132  132     84  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H   127_A     H   127_A    132  132  132     75  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S   128_A     S   128_A    132  132  132     58  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   129_A     Q   129_A    132  132  132     58  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     W   130_A     W   130_A    132  132  132     49  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   131_A     F   131_A    132  132  132     58  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   132_A     E   132_A    132  132  132     70  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S   133_A     S   133_A    132  132  132     75  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   134_A     L   134_A    132  132  132     37  123  130  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     87    123    130    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  65.91  93.18  98.48 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.50   0.56   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61
GDT RMS_ALL_AT   0.63   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61   0.61

# Checking swapping
#   possible swapping detected:  E    16_A      E    16_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  F    55_A      F    55_A
#   possible swapping detected:  F    67_A      F    67_A
#   possible swapping detected:  Y    77_A      Y    77_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  Y    92_A      Y    92_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E   103_A      E   103_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  E   132_A      E   132_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     1.998     3    0.027   0.061     2.528   77.143   45.714
LGA    V     4_A      V     4_A     1.056     0    0.101   0.124     1.723   81.548   81.497
LGA    D     5_A      D     5_A     0.262     0    0.041   0.998     3.939  100.000   86.131
LGA    K     6_A      K     6_A     0.333     0    0.081   0.179     0.674  100.000   98.942
LGA    R     7_A      R     7_A     0.344     0    0.042   0.592     2.037  100.000   86.840
LGA    K     8_A      K     8_A     0.415     0    0.017   0.410     1.359  100.000   94.762
LGA    I     9_A      I     9_A     0.394     0    0.052   0.058     0.488  100.000  100.000
LGA    K    10_A      K    10_A     0.245     0    0.007   0.936     4.442  100.000   86.085
LGA    I    11_A      I    11_A     0.128     0    0.021   0.042     0.326  100.000  100.000
LGA    I    12_A      I    12_A     0.235     0    0.055   0.074     0.756   97.619   96.429
LGA    L    13_A      L    13_A     0.722     0    0.065   0.980     2.477   88.333   84.167
LGA    N    14_A      N    14_A     1.994     0    0.103   0.139     3.681   72.857   61.488
LGA    G    15_A      G    15_A     0.966     0    0.014   0.014     1.277   88.214   88.214
LGA    E    16_A      E    16_A     1.070     0    0.068   0.843     2.487   85.952   78.783
LGA    M    17_A      M    17_A     0.649     0    0.064   0.674     1.917   86.071   83.810
LGA    E    18_A      E    18_A     0.489     0    0.053   0.362     2.081  100.000   90.847
LGA    E    19_A      E    19_A     0.385     0    0.059   0.238     1.049  100.000   96.878
LGA    A    20_A      A    20_A     0.365     0    0.080   0.097     0.609   97.619   98.095
LGA    E    21_A      E    21_A     0.253     0    0.006   0.191     0.676  100.000   97.884
LGA    L    22_A      L    22_A     0.198     0    0.045   0.044     0.255  100.000  100.000
LGA    H    23_A      H    23_A     0.324     0    0.055   0.147     0.580   97.619   97.143
LGA    M    24_A      M    24_A     0.124     0    0.043   0.936     3.252  100.000   93.750
LGA    I    25_A      I    25_A     0.493     0    0.011   0.043     0.605   95.238   95.238
LGA    T    26_A      T    26_A     0.562     0    0.025   0.064     0.742   90.476   90.476
LGA    S    27_A      S    27_A     0.925     0    0.074   0.094     1.841   90.476   84.603
LGA    P    28_A      P    28_A     1.468     0    0.655   0.593     4.360   66.190   74.082
LGA    N    29_A      N    29_A     0.693     0    0.080   0.972     2.241   88.214   83.929
LGA    R    30_A      R    30_A     0.957     0    0.022   0.628     3.490   90.476   73.723
LGA    H    31_A      H    31_A     0.912     0    0.039   1.187     6.950   90.476   59.333
LGA    C    32_A      C    32_A     0.352     0    0.047   0.113     0.585   97.619   98.413
LGA    C    33_A      C    33_A     0.321     0    0.018   0.057     0.542  100.000   98.413
LGA    L    34_A      L    34_A     0.206     0    0.012   0.083     0.282  100.000  100.000
LGA    K    35_A      K    35_A     0.216     0    0.029   0.391     2.135  100.000   93.968
LGA    I    36_A      I    36_A     0.196     0    0.015   0.073     0.371  100.000  100.000
LGA    F    37_A      F    37_A     0.144     0    0.016   0.066     0.397  100.000  100.000
LGA    H    38_A      H    38_A     0.238     0    0.021   0.036     0.524   97.619   97.143
LGA    N    39_A      N    39_A     0.694     0    0.038   1.104     3.375   92.857   84.345
LGA    N    40_A      N    40_A     0.405     0    0.051   0.908     2.046   97.619   89.821
LGA    N    41_A      N    41_A     0.419     0    0.033   0.996     4.677  100.000   78.631
LGA    Q    42_A      Q    42_A     0.353     0    0.049   0.156     0.819   97.619   97.884
LGA    L    43_A      L    43_A     0.275     0    0.060   0.306     1.651   97.619   93.036
LGA    A    44_A      A    44_A     0.414     0    0.034   0.043     0.501  100.000   98.095
LGA    E    45_A      E    45_A     0.324     0    0.041   0.487     2.143  100.000   88.995
LGA    S    46_A      S    46_A     0.468     0    0.038   0.614     2.140  100.000   92.540
LGA    N    47_A      N    47_A     0.252     0    0.015   0.105     0.323  100.000  100.000
LGA    D    48_A      D    48_A     0.422     0    0.060   0.149     0.656   95.238   95.238
LGA    T    49_A      T    49_A     0.780     0    0.112   0.111     1.789   95.238   88.095
LGA    D    50_A      D    50_A     0.283     0    0.046   0.120     0.354  100.000  100.000
LGA    Y    51_A      Y    51_A     0.272     0    0.035   0.082     0.957  100.000   96.825
LGA    F    52_A      F    52_A     0.452     0    0.017   0.048     0.536  100.000   98.268
LGA    S    53_A      S    53_A     0.403     0    0.050   0.063     0.475  100.000  100.000
LGA    C    54_A      C    54_A     0.474     0    0.026   0.078     0.531   97.619   98.413
LGA    F    55_A      F    55_A     0.375     0    0.018   0.274     1.286  100.000   95.758
LGA    A    56_A      A    56_A     0.416     0    0.030   0.040     0.504  100.000   98.095
LGA    D    57_A      D    57_A     0.484     0    0.019   0.890     3.101  100.000   84.762
LGA    L    58_A      L    58_A     0.428     0    0.015   1.269     3.242  100.000   86.845
LGA    R    59_A      R    59_A     0.413     0    0.026   0.708     2.585  100.000   86.147
LGA    N    60_A      N    60_A     0.527     0    0.025   0.876     3.135   97.619   83.571
LGA    Q    61_A      Q    61_A     0.391     0    0.120   0.186     0.611   97.619   98.942
LGA    L    62_A      L    62_A     0.284     0    0.085   0.079     0.452  100.000  100.000
LGA    K    63_A      K    63_A     0.227     0    0.026   0.628     2.116  100.000   93.968
LGA    N    64_A      N    64_A     0.409     0    0.019   0.120     0.680   95.238   94.048
LGA    I    65_A      I    65_A     0.615     0    0.043   0.075     0.643   90.476   90.476
LGA    I    66_A      I    66_A     0.478     0    0.028   0.050     0.691   97.619   95.238
LGA    F    67_A      F    67_A     0.208     0    0.014   0.052     0.640  100.000   97.403
LGA    L    68_A      L    68_A     0.330     0    0.032   0.070     0.545  100.000   98.810
LGA    C    69_A      C    69_A     0.557     0    0.052   0.771     2.336   95.238   89.365
LGA    K    70_A      K    70_A     0.496     0    0.029   0.077     0.953   97.619   93.651
LGA    G    71_A      G    71_A     0.377     0    0.040   0.040     0.466  100.000  100.000
LGA    A    72_A      A    72_A     0.447     0    0.069   0.082     0.453  100.000  100.000
LGA    K    73_A      K    73_A     0.395     0    0.026   0.104     0.732  100.000   96.825
LGA    I    74_A      I    74_A     0.288     0    0.026   0.421     1.979  100.000   96.607
LGA    N    75_A      N    75_A     0.209     0    0.035   0.142     0.980   97.619   95.238
LGA    V    76_A      V    76_A     0.331     0    0.066   0.086     0.640   97.619   97.279
LGA    Y    77_A      Y    77_A     0.347     0    0.049   0.173     0.466  100.000  100.000
LGA    P    78_A      P    78_A     0.420     0    0.062   0.294     1.100   92.976   93.265
LGA    S    79_A      S    79_A     0.887     0    0.048   0.050     0.907   90.476   90.476
LGA    A    80_A      A    80_A     1.145     0    0.024   0.038     1.340   85.952   85.048
LGA    M    81_A      M    81_A     0.844     0    0.012   0.675     1.789   90.476   87.143
LGA    S    82_A      S    82_A     0.859     0    0.017   0.592     1.748   90.476   86.032
LGA    R    83_A      R    83_A     1.092     0    0.017   0.677     1.402   85.952   86.407
LGA    D    84_A      D    84_A     0.796     0    0.151   0.777     2.180   88.214   82.798
LGA    M    85_A      M    85_A     0.344     0    0.017   1.074     3.251   97.619   88.155
LGA    S    86_A      S    86_A     0.297     0    0.028   0.044     0.412  100.000  100.000
LGA    D    87_A      D    87_A     0.212     0    0.022   0.187     0.909  100.000   96.429
LGA    G    88_A      G    88_A     0.174     0    0.028   0.028     0.278  100.000  100.000
LGA    I    89_A      I    89_A     0.311     0    0.010   0.682     2.227  100.000   95.595
LGA    V    90_A      V    90_A     0.272     0    0.014   0.078     0.474  100.000  100.000
LGA    A    91_A      A    91_A     0.333     0    0.044   0.061     0.436  100.000  100.000
LGA    Y    92_A      Y    92_A     0.348     0    0.034   0.141     0.896  100.000   97.619
LGA    E    93_A      E    93_A     0.180     0    0.083   0.826     2.677   97.619   85.132
LGA    T    94_A      T    94_A     0.501     0    0.026   0.070     0.845   97.619   94.558
LGA    T    95_A      T    95_A     0.425     0    0.020   0.067     0.963  100.000   95.918
LGA    L    96_A      L    96_A     0.514     0    0.075   1.401     5.495   95.238   74.464
LGA    G    97_A      G    97_A     0.784     0    0.044   0.044     1.217   88.333   88.333
LGA    Q    98_A      Q    98_A     1.096     0    0.015   0.185     1.365   85.952   83.439
LGA    P    99_A      P    99_A     1.054     0    0.034   0.042     1.574   85.952   81.565
LGA    G   100_A      G   100_A     0.323     0    0.099   0.099     0.609   97.619   97.619
LGA    L   101_A      L   101_A     0.429     0    0.015   0.070     0.584   97.619   96.429
LGA    P   102_A      P   102_A     0.770     0    0.017   0.029     1.102   90.476   87.891
LGA    E   103_A      E   103_A     0.751     0    0.029   0.661     1.843   90.476   87.513
LGA    N   104_A      N   104_A     0.319     0    0.045   0.096     0.511  100.000   98.810
LGA    Q   105_A      Q   105_A     0.220     0    0.063   0.102     0.596  100.000   98.942
LGA    V   106_A      V   106_A     0.391     0    0.023   0.034     0.672   97.619   94.558
LGA    H   107_A      H   107_A     0.430     0    0.031   0.048     0.499  100.000  100.000
LGA    I   108_A      I   108_A     0.443     0    0.049   0.067     0.558   97.619   98.810
LGA    F   109_A      F   109_A     0.402     0    0.061   0.088     0.435  100.000  100.000
LGA    D   110_A      D   110_A     0.569     0    0.043   0.116     1.080   92.857   90.536
LGA    F   111_A      F   111_A     0.375     0    0.024   0.067     0.617   97.619   99.134
LGA    E   112_A      E   112_A     0.469     0    0.015   0.104     0.777  100.000   96.825
LGA    D   113_A      D   113_A     0.553     0    0.057   0.114     0.802   90.476   90.476
LGA    K   114_A      K   114_A     0.502     0    0.060   0.852     2.916   95.238   84.974
LGA    Y   115_A      Y   115_A     0.588     0    0.023   0.239     2.168   95.238   83.254
LGA    V   116_A      V   116_A     0.164     0    0.050   0.068     0.483  100.000  100.000
LGA    D   117_A      D   117_A     0.603     0    0.020   0.165     1.024   92.857   90.536
LGA    I   118_A      I   118_A     0.487     0    0.019   0.090     0.529   97.619   98.810
LGA    T   119_A      T   119_A     0.633     0    0.037   0.068     0.715   90.476   90.476
LGA    P   120_A      P   120_A     0.536     0    0.024   0.043     0.670   90.476   90.476
LGA    E   121_A      E   121_A     0.660     0    0.027   0.922     3.261   90.476   79.418
LGA    E   122_A      E   122_A     0.679     0    0.059   0.362     1.623   90.476   86.508
LGA    Q   123_A      Q   123_A     0.373     0    0.010   0.152     0.530  100.000   98.942
LGA    R   124_A      R   124_A     0.534     0    0.035   0.992     4.137   92.857   72.900
LGA    K   125_A      K   125_A     0.740     0    0.027   1.312     5.892   90.476   70.317
LGA    F   126_A      F   126_A     0.591     0    0.020   0.170     1.070   90.476   92.251
LGA    H   127_A      H   127_A     0.595     0    0.018   1.153     2.285   90.476   82.667
LGA    S   128_A      S   128_A     0.807     0    0.049   0.091     0.958   90.476   90.476
LGA    Q   129_A      Q   129_A     0.776     0    0.014   0.146     1.362   90.476   87.460
LGA    W   130_A      W   130_A     0.731     0    0.037   0.082     0.773   90.476   90.476
LGA    F   131_A      F   131_A     0.839     0    0.039   1.167     4.811   90.476   72.597
LGA    E   132_A      E   132_A     0.741     0    0.137   1.038     4.093   88.214   75.344
LGA    S   133_A      S   133_A     0.684     0    0.066   0.106     0.722   90.476   92.063
LGA    L   134_A      L   134_A     0.811     0    0.137   0.163     1.073   90.476   87.083

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1073   1073  100.00               132
SUMMARY(RMSD_GDC):     0.607          0.632                  1.101           95.331   91.037

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0    132    0.61    98.295    99.349    18.681

LGA_LOCAL      RMSD:   0.607  Number of atoms:  132  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.607  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   0.607  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.166573 * X  +  -0.666657 * Y  +  -0.726513 * Z  + -14.674445
  Y_new =   0.533131 * X  +   0.558928 * Y  +  -0.635114 * Z  +   9.728545
  Z_new =   0.829472 * X  +  -0.493120 * Y  +   0.262313 * Z  +   0.033109 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.873629 -0.978163 -1.081919   [DEG:  107.3510  -56.0446  -61.9894 ]
ZXZ: -0.852422  1.305377  2.107160   [DEG:  -48.8402   74.7926  120.7314 ]
 
# END of job
