
#######################################################
#                                                     #
#                        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  124 (  941),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  941),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.85     0.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.85     0.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.85     0.85
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     Q     1_B     Q     1_B    124  124  124      7   20   98  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B    124  124  124     19  101  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B    124  124  124     89  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B    124  124  124     86  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B    124  124  124     78  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B    124  124  124     78  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B    124  124  124     28  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B    124  124  124     78  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B    124  124  124     88  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B    124  124  124     12   67  117  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B    124  124  124     12  107  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B    124  124  124     36  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B    124  124  124      3    3   34   83  114  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B    124  124  124      3    3    3   36   74  114  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B    124  124  124      3    3   22  103  118  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B    124  124  124     36  112  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B    124  124  124     87  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B    124  124  124     24  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B    124  124  124     88  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B    124  124  124     78  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B    124  124  124     82  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B    124  124  124     17  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B    124  124  124      3   86  114  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B    124  124  124     19   94  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B    124  124  124     47  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B    124  124  124     23  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B    124  124  124     31  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B    124  124  124     82  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B    124  124  124     49  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B    124  124  124     49  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B    124  124  124     31  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B    124  124  124     90  113  118  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
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     90    113    118    120    121    123    124    124    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  72.58  91.13  95.16  96.77  97.58  99.19 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.43   0.49   0.55   0.60   0.75   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85
GDT RMS_ALL_AT   0.85   0.87   0.86   0.86   0.86   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  Y    91_B      Y    91_B
#   possible swapping detected:  Y    92_B      Y    92_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  Y   111_B      Y   111_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     2.424     0    0.626   1.345     8.965   59.167   32.857
LGA    V     2_B      V     2_B     1.287     0    0.031   0.947     3.184   77.143   73.265
LGA    Q     3_B      Q     3_B     0.583     0    0.051   0.166     2.256   92.857   84.709
LGA    L     4_B      L     4_B     0.376     0    0.018   0.063     0.418  100.000  100.000
LGA    V     5_B      V     5_B     0.393     0    0.058   0.116     0.518  100.000   98.639
LGA    E     6_B      E     6_B     0.413     0    0.071   0.174     0.625   97.619   97.884
LGA    S     7_B      S     7_B     0.478     0    0.030   0.048     0.542   95.238   96.825
LGA    G     8_B      G     8_B     0.622     0    0.034   0.034     0.839   90.476   90.476
LGA    G     9_B      G     9_B     0.529     0    0.038   0.038     0.669   92.857   92.857
LGA    G    10_B      G    10_B     0.334     0    0.026   0.026     0.345  100.000  100.000
LGA    S    11_B      S    11_B     0.132     0    0.053   0.085     0.250  100.000  100.000
LGA    V    12_B      V    12_B     0.068     0    0.076   1.085     2.326  100.000   89.932
LGA    Q    13_B      Q    13_B     0.380     0    0.036   0.874     3.388   97.619   84.339
LGA    A    14_B      A    14_B     0.374     0    0.021   0.053     0.394  100.000  100.000
LGA    G    15_B      G    15_B     0.355     0    0.035   0.035     0.455  100.000  100.000
LGA    G    16_B      G    16_B     0.535     0    0.036   0.036     0.535   97.619   97.619
LGA    S    17_B      S    17_B     0.059     0    0.099   0.661     2.436   97.619   92.540
LGA    L    18_B      L    18_B     0.220     0    0.027   0.149     1.015  100.000   96.488
LGA    R    19_B      R    19_B     0.183     0    0.063   0.983     4.713  100.000   82.597
LGA    L    20_B      L    20_B     0.316     0    0.022   0.062     0.372  100.000  100.000
LGA    S    21_B      S    21_B     0.403     0    0.030   0.679     1.556  100.000   93.889
LGA    C    22_B      C    22_B     0.232     0    0.007   0.147     0.729  100.000   98.413
LGA    A    23_B      A    23_B     0.332     0    0.087   0.118     0.332  100.000  100.000
LGA    A    24_B      A    24_B     0.621     0    0.047   0.051     0.707   90.476   90.476
LGA    S    25_B      S    25_B     0.549     0    0.032   0.547     2.659   90.476   84.921
LGA    G    26_B      G    26_B     0.580     0    0.177   0.177     0.816   92.857   92.857
LGA    S    27_B      S    27_B     0.540     0    0.041   0.192     1.116   90.476   88.968
LGA    T    28_B      T    28_B     0.453     0    0.076   1.106     2.522   92.857   84.558
LGA    V    29_B      V    29_B     0.557     0    0.026   0.096     0.699   92.857   91.837
LGA    S    30_B      S    30_B     0.759     0    0.046   0.179     1.041   88.214   88.968
LGA    A    31_B      A    31_B     0.885     0    0.025   0.035     0.918   90.476   90.476
LGA    Y    32_B      Y    32_B     0.961     0    0.027   0.132     1.396   88.214   85.198
LGA    Y    33_B      Y    33_B     0.849     0    0.033   0.256     1.765   92.857   84.563
LGA    M    34_B      M    34_B     0.470     0    0.049   0.629     2.351   92.857   90.833
LGA    A    35_B      A    35_B     0.440     0    0.033   0.034     0.441  100.000  100.000
LGA    W    36_B      W    36_B     0.387     0    0.056   0.062     0.508  100.000   99.320
LGA    F    37_B      F    37_B     0.257     0    0.047   0.072     0.307  100.000  100.000
LGA    R    38_B      R    38_B     0.215     0    0.027   0.092     0.933  100.000   96.537
LGA    Q    39_B      Q    39_B     0.204     0    0.023   0.213     0.960  100.000   98.942
LGA    A    40_B      A    40_B     0.252     0    0.012   0.030     0.660   97.619   96.190
LGA    P    41_B      P    41_B     0.646     0    0.036   0.335     1.175   88.333   90.680
LGA    G    42_B      G    42_B     1.987     0    0.111   0.111     2.813   69.048   69.048
LGA    K    43_B      K    43_B     1.247     0    0.020   0.593     2.091   81.429   80.582
LGA    G    44_B      G    44_B     0.958     0    0.051   0.051     1.124   88.214   88.214
LGA    R    45_B      R    45_B     0.301     0    0.014   0.906     5.051   97.619   78.788
LGA    E    46_B      E    46_B     0.473     0    0.086   0.753     2.621  100.000   90.053
LGA    G    47_B      G    47_B     0.259     0    0.026   0.026     0.277  100.000  100.000
LGA    V    48_B      V    48_B     0.229     0    0.020   0.059     0.449  100.000  100.000
LGA    A    49_B      A    49_B     0.357     0    0.025   0.031     0.522   97.619   98.095
LGA    V    50_B      V    50_B     0.414     0    0.030   1.099     2.906  100.000   88.639
LGA    I    51_B      I    51_B     0.278     0    0.032   0.969     2.693   82.500   72.738
LGA    G    52_B      G    52_B     3.495     0    0.603   0.603     6.321   40.833   40.833
LGA    G    53_B      G    53_B     4.382     0    0.145   0.145     4.382   48.810   48.810
LGA    S    54_B      S    54_B     3.349     0    0.503   0.657     5.471   42.381   39.683
LGA    G    55_B      G    55_B     0.943     0    0.029   0.029     1.260   88.214   88.214
LGA    V    56_B      V    56_B     0.497     0    0.028   0.108     1.029   97.619   94.626
LGA    Y    57_B      Y    57_B     0.265     0    0.014   0.053     0.439  100.000  100.000
LGA    A    58_B      A    58_B     0.279     0    0.013   0.029     0.381  100.000  100.000
LGA    D    59_B      D    59_B     0.249     0    0.018   0.235     1.097  100.000   95.298
LGA    A    60_B      A    60_B     0.205     0    0.032   0.032     0.292  100.000  100.000
LGA    V    61_B      V    61_B     0.095     0    0.013   0.043     0.273  100.000  100.000
LGA    K    62_B      K    62_B     0.182     0    0.020   0.715     1.990  100.000   91.905
LGA    G    63_B      G    63_B     0.199     0    0.015   0.015     0.214  100.000  100.000
LGA    R    64_B      R    64_B     0.296     0    0.038   0.211     1.001  100.000   95.714
LGA    F    65_B      F    65_B     0.164     0    0.035   0.120     0.359  100.000  100.000
LGA    T    66_B      T    66_B     0.258     0    0.053   0.054     0.581   97.619   95.918
LGA    I    67_B      I    67_B     0.264     0    0.054   0.066     0.405  100.000  100.000
LGA    S    68_B      S    68_B     0.408     0    0.023   0.043     0.484  100.000  100.000
LGA    Q    69_B      Q    69_B     0.388     0    0.070   0.571     2.049   97.619   91.852
LGA    D    70_B      D    70_B     0.142     0    0.048   0.100     0.344  100.000  100.000
LGA    N    71_B      N    71_B     0.103     0    0.019   1.083     2.314  100.000   91.190
LGA    A    72_B      A    72_B     0.159     0    0.109   0.125     0.646   97.619   98.095
LGA    K    73_B      K    73_B     0.332     0    0.044   0.585     1.732  100.000   95.926
LGA    N    74_B      N    74_B     0.339     0    0.051   0.183     0.576   97.619   97.619
LGA    T    75_B      T    75_B     0.156     0    0.032   0.079     0.181  100.000  100.000
LGA    L    76_B      L    76_B     0.275     0    0.060   0.685     2.527  100.000   90.000
LGA    Y    77_B      Y    77_B     0.264     0    0.022   0.043     0.414  100.000  100.000
LGA    L    78_B      L    78_B     0.368     0    0.037   0.061     0.578  100.000   96.429
LGA    Q    79_B      Q    79_B     0.282     0    0.023   0.920     3.822  100.000   85.873
LGA    M    80_B      M    80_B     0.171     0    0.018   0.645     1.926  100.000   95.417
LGA    N    81_B      N    81_B     0.163     0    0.029   0.234     1.106  100.000   96.488
LGA    S    82_B      S    82_B     0.195     0    0.043   0.069     0.413  100.000  100.000
LGA    L    83_B      L    83_B     0.246     0    0.020   0.105     0.522  100.000   98.810
LGA    K    84_B      K    84_B     0.234     0    0.040   0.575     1.514  100.000   94.868
LGA    P    85_B      P    85_B     0.093     0    0.023   0.038     0.283  100.000  100.000
LGA    E    86_B      E    86_B     0.224     0    0.022   1.099     3.596  100.000   80.952
LGA    D    87_B      D    87_B     0.126     0    0.027   0.099     0.395  100.000  100.000
LGA    T    88_B      T    88_B     0.125     0    0.102   0.158     0.695   97.619   98.639
LGA    A    89_B      A    89_B     0.206     0    0.019   0.022     0.286  100.000  100.000
LGA    M    90_B      M    90_B     0.205     0    0.031   1.018     2.109  100.000   89.881
LGA    Y    91_B      Y    91_B     0.154     0    0.049   0.087     0.257  100.000  100.000
LGA    Y    92_B      Y    92_B     0.354     0    0.023   0.100     0.473  100.000  100.000
LGA    C    93_B      C    93_B     0.227     0    0.020   0.729     2.702  100.000   92.857
LGA    A    94_B      A    94_B     0.281     0    0.035   0.044     0.406  100.000  100.000
LGA    A    95_B      A    95_B     0.487     0    0.008   0.037     0.513   97.619   98.095
LGA    Y    96_B      Y    96_B     0.748     0    0.024   0.170     2.635   90.476   78.968
LGA    W    97_B      W    97_B     0.734     0    0.040   0.510     1.700   90.476   88.673
LGA    K    98_B      K    98_B     0.876     0    0.076   0.115     1.021   90.476   88.466
LGA    G    99_B      G    99_B     0.777     0    0.061   0.061     1.153   88.214   88.214
LGA    Y   100_B      Y   100_B     1.137     0    0.646   0.540     2.867   77.619   74.484
LGA    K   101_B      K   101_B     2.044     0    0.293   0.630     5.023   75.119   56.455
LGA    Y   102_B      Y   102_B     1.451     0    0.048   0.129     2.901   79.286   70.357
LGA    H   103_B      H   103_B     1.284     0    0.024   1.043     6.934   83.690   54.190
LGA    P   104_B      P   104_B     1.069     0    0.093   0.277     2.289   85.952   80.408
LGA    K   105_B      K   105_B     0.887     0    0.015   0.778     4.105   90.476   74.497
LGA    F   106_B      F   106_B     0.719     0    0.011   0.186     1.148   90.476   88.009
LGA    D   107_B      D   107_B     0.773     0    0.062   0.075     1.191   90.476   89.345
LGA    D   108_B      D   108_B     0.412     0    0.011   0.256     0.821   95.238   96.429
LGA    S   109_B      S   109_B     1.057     0    0.018   0.036     1.432   83.690   82.937
LGA    A   110_B      A   110_B     1.230     0    0.020   0.039     1.379   81.429   81.429
LGA    Y   111_B      Y   111_B     0.546     0    0.101   0.097     0.855   92.857   92.063
LGA    E   112_B      E   112_B     0.287     0    0.015   0.398     1.623  100.000   93.810
LGA    Y   113_B      Y   113_B     0.256     0    0.050   0.097     1.006  100.000   93.690
LGA    W   114_B      W   114_B     0.250     0    0.036   0.078     0.545  100.000   98.639
LGA    G   115_B      G   115_B     0.251     0    0.061   0.061     0.587   97.619   97.619
LGA    Q   116_B      Q   116_B     0.299     0    0.014   0.804     2.610  100.000   89.101
LGA    G   117_B      G   117_B     0.386     0    0.066   0.066     0.395  100.000  100.000
LGA    T   118_B      T   118_B     0.323     0    0.028   1.288     2.682  100.000   87.483
LGA    Q   119_B      Q   119_B     0.303     0    0.021   0.102     0.416  100.000  100.000
LGA    V   120_B      V   120_B     0.162     0    0.028   0.064     0.331  100.000  100.000
LGA    T   121_B      T   121_B     0.087     0    0.005   0.072     0.282  100.000  100.000
LGA    V   122_B      V   122_B     0.021     0    0.049   0.090     0.287  100.000  100.000
LGA    S   123_B      S   123_B     0.127     0    0.093   0.173     0.783   97.619   98.413
LGA    S   124_B      S   124_B     0.454     0    0.374   0.847     2.571   95.357   86.667

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     941    941  100.00               124
SUMMARY(RMSD_GDC):     0.847          0.913                  1.309           94.220   90.638

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    124    0.85    96.976    98.504    13.099

LGA_LOCAL      RMSD:   0.847  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.847  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   0.847  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.727831 * X  +   0.684887 * Y  +   0.034522 * Z  +   1.479888
  Y_new =   0.010906 * X  +   0.038774 * Y  +  -0.999188 * Z  + -41.492912
  Z_new =  -0.685670 * X  +   0.727617 * Y  +   0.020751 * Z  +  18.279854 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.014984  0.755524  1.542285   [DEG:    0.8585   43.2883   88.3664 ]
ZXZ:  0.034536  1.550044 -0.755727   [DEG:    1.9788   88.8110  -43.3000 ]
 
# END of job
