
#######################################################
#                                                     #
#                        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       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.82     0.82
  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      5   23   95  118  121  124  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     35  102  120  120  121  124  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     84  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     61  114  120  120  121  124  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     61  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     82  114  120  120  121  124  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     86  114  120  120  121  124  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     48  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     83  114  120  120  121  124  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     33  114  120  120  121  124  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     33  114  120  120  121  124  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     32  114  120  120  121  124  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     32  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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  114  120  120  121  124  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     10  110  120  120  121  124  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     61  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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    4   26   88  117  124  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   13   24   45  103  124  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   66  110  121  124  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     72  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     55  114  120  120  121  124  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     86  114  120  120  121  124  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     61  114  120  120  121  124  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     32  114  120  120  121  124  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     32  114  120  120  121  124  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     71  114  120  120  121  124  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     38  114  120  120  121  124  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     26  112  120  120  121  124  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     15  114  120  120  121  124  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     55  114  120  120  121  124  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     87  114  120  120  121  124  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     45  114  120  120  121  124  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     80  114  120  120  121  124  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     45  114  120  120  121  124  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     16  114  120  120  121  124  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     87  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     87  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88  114  120  120  121  124  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     88    114    120    120    121    124    124    124    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  70.97  91.94  96.77  96.77  97.58 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.44   0.52   0.52   0.59   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82
GDT RMS_ALL_AT   0.83   0.83   0.84   0.84   0.83   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82

# 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
#   possible swapping detected:  E   112_B      E   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     2.767     0    0.586   1.296     9.865   53.690   28.677
LGA    V     2_B      V     2_B     1.254     0    0.027   0.936     3.224   79.286   74.490
LGA    Q     3_B      Q     3_B     0.603     0    0.036   0.243     2.570   90.476   82.804
LGA    L     4_B      L     4_B     0.480     0    0.041   0.055     0.768   92.857   96.429
LGA    V     5_B      V     5_B     0.400     0    0.034   0.092     0.572  100.000   98.639
LGA    E     6_B      E     6_B     0.391     0    0.039   0.157     0.843   97.619   97.884
LGA    S     7_B      S     7_B     0.543     0    0.016   0.035     0.652   92.857   92.063
LGA    G     8_B      G     8_B     0.757     0    0.046   0.046     1.016   88.214   88.214
LGA    G     9_B      G     9_B     0.675     0    0.075   0.075     1.077   88.214   88.214
LGA    G    10_B      G    10_B     0.313     0    0.023   0.023     0.313  100.000  100.000
LGA    S    11_B      S    11_B     0.159     0    0.034   0.069     0.410  100.000  100.000
LGA    V    12_B      V    12_B     0.337     0    0.113   1.016     2.279  100.000   89.728
LGA    Q    13_B      Q    13_B     0.217     0    0.047   0.834     3.213  100.000   85.767
LGA    A    14_B      A    14_B     0.249     0    0.004   0.021     0.270  100.000  100.000
LGA    G    15_B      G    15_B     0.224     0    0.049   0.049     0.301  100.000  100.000
LGA    G    16_B      G    16_B     0.438     0    0.016   0.016     0.438  100.000  100.000
LGA    S    17_B      S    17_B     0.286     0    0.065   0.673     2.117  100.000   94.127
LGA    L    18_B      L    18_B     0.285     0    0.035   1.327     3.143  100.000   85.833
LGA    R    19_B      R    19_B     0.123     0    0.031   1.024     4.714  100.000   83.333
LGA    L    20_B      L    20_B     0.356     0    0.016   0.063     0.458  100.000  100.000
LGA    S    21_B      S    21_B     0.374     0    0.027   0.107     0.574  100.000   96.825
LGA    C    22_B      C    22_B     0.448     0    0.051   0.081     0.763  100.000   96.825
LGA    A    23_B      A    23_B     0.413     0    0.082   0.115     0.439  100.000  100.000
LGA    A    24_B      A    24_B     0.609     0    0.021   0.021     0.655   90.476   90.476
LGA    S    25_B      S    25_B     0.561     0    0.054   0.625     2.622   90.476   86.508
LGA    G    26_B      G    26_B     0.850     0    0.031   0.031     1.016   88.214   88.214
LGA    S    27_B      S    27_B     0.422     0    0.119   0.268     0.573   97.619   96.825
LGA    T    28_B      T    28_B     0.477     0    0.051   1.116     2.233   92.857   84.490
LGA    V    29_B      V    29_B     0.591     0    0.044   0.095     0.610   92.857   93.197
LGA    S    30_B      S    30_B     0.759     0    0.021   0.107     1.043   90.476   88.968
LGA    A    31_B      A    31_B     0.766     0    0.027   0.028     0.824   90.476   90.476
LGA    Y    32_B      Y    32_B     0.987     0    0.024   0.155     1.487   88.214   85.198
LGA    Y    33_B      Y    33_B     0.895     0    0.032   0.174     1.595   92.857   83.810
LGA    M    34_B      M    34_B     0.446     0    0.029   0.599     2.116   92.857   92.024
LGA    A    35_B      A    35_B     0.438     0    0.021   0.020     0.447  100.000  100.000
LGA    W    36_B      W    36_B     0.437     0    0.057   0.060     0.658  100.000   93.878
LGA    F    37_B      F    37_B     0.402     0    0.034   0.056     0.492  100.000  100.000
LGA    R    38_B      R    38_B     0.153     0    0.007   0.072     0.839  100.000   95.671
LGA    Q    39_B      Q    39_B     0.207     0    0.017   0.269     1.085  100.000   97.937
LGA    A    40_B      A    40_B     0.252     0    0.021   0.036     0.642   97.619   98.095
LGA    P    41_B      P    41_B     0.673     0    0.026   0.310     1.117   92.857   93.265
LGA    G    42_B      G    42_B     1.574     0    0.113   0.113     2.287   72.976   72.976
LGA    K    43_B      K    43_B     0.924     0    0.027   0.592     1.348   88.214   86.455
LGA    G    44_B      G    44_B     0.549     0    0.055   0.055     0.681   92.857   92.857
LGA    R    45_B      R    45_B     0.193     0    0.011   0.135     2.071  100.000   89.307
LGA    E    46_B      E    46_B     0.384     0    0.065   0.665     1.843  100.000   89.735
LGA    G    47_B      G    47_B     0.304     0    0.005   0.005     0.320  100.000  100.000
LGA    V    48_B      V    48_B     0.293     0    0.032   0.046     0.360  100.000  100.000
LGA    A    49_B      A    49_B     0.290     0    0.010   0.010     0.440  100.000  100.000
LGA    V    50_B      V    50_B     0.481     0    0.010   1.117     3.304  100.000   87.619
LGA    I    51_B      I    51_B     0.374     0    0.065   0.988     2.769   82.500   72.738
LGA    G    52_B      G    52_B     3.462     0    0.604   0.604     6.128   42.262   42.262
LGA    G    53_B      G    53_B     3.994     0    0.178   0.178     3.994   50.357   50.357
LGA    S    54_B      S    54_B     3.335     0    0.523   0.517     5.456   42.381   38.810
LGA    G    55_B      G    55_B     0.852     0    0.010   0.010     1.103   88.214   88.214
LGA    V    56_B      V    56_B     0.527     0    0.030   0.094     1.244   95.238   91.905
LGA    Y    57_B      Y    57_B     0.181     0    0.028   0.100     0.717  100.000   98.413
LGA    A    58_B      A    58_B     0.279     0    0.025   0.035     0.293  100.000  100.000
LGA    D    59_B      D    59_B     0.425     0    0.032   0.127     0.521  100.000   98.810
LGA    A    60_B      A    60_B     0.236     0    0.017   0.017     0.260  100.000  100.000
LGA    V    61_B      V    61_B     0.135     0    0.039   0.072     0.280  100.000  100.000
LGA    K    62_B      K    62_B     0.234     0    0.025   0.796     2.774  100.000   88.201
LGA    G    63_B      G    63_B     0.270     0    0.020   0.020     0.270  100.000  100.000
LGA    R    64_B      R    64_B     0.180     0    0.016   0.196     0.769  100.000   97.403
LGA    F    65_B      F    65_B     0.097     0    0.036   0.113     0.459  100.000  100.000
LGA    T    66_B      T    66_B     0.137     0    0.032   0.061     0.478  100.000  100.000
LGA    I    67_B      I    67_B     0.241     0    0.040   0.076     0.309  100.000  100.000
LGA    S    68_B      S    68_B     0.256     0    0.037   0.099     0.323  100.000  100.000
LGA    Q    69_B      Q    69_B     0.396     0    0.069   0.580     1.869   97.619   92.804
LGA    D    70_B      D    70_B     0.208     0    0.075   0.118     0.694  100.000   98.810
LGA    N    71_B      N    71_B     0.057     0    0.022   1.091     2.291  100.000   91.190
LGA    A    72_B      A    72_B     0.460     0    0.108   0.115     0.773  100.000   98.095
LGA    K    73_B      K    73_B     0.345     0    0.008   0.563     2.348  100.000   96.085
LGA    N    74_B      N    74_B     0.163     0    0.018   0.261     1.048  100.000   95.298
LGA    T    75_B      T    75_B     0.231     0    0.013   0.061     0.426  100.000  100.000
LGA    L    76_B      L    76_B     0.397     0    0.057   0.669     2.578   97.619   88.810
LGA    Y    77_B      Y    77_B     0.355     0    0.023   0.063     0.403  100.000  100.000
LGA    L    78_B      L    78_B     0.423     0    0.050   0.060     0.530  100.000   97.619
LGA    Q    79_B      Q    79_B     0.308     0    0.054   0.908     3.818  100.000   86.772
LGA    M    80_B      M    80_B     0.268     0    0.011   0.096     0.431  100.000  100.000
LGA    N    81_B      N    81_B     0.193     0    0.029   0.281     1.230  100.000   97.679
LGA    S    82_B      S    82_B     0.211     0    0.025   0.037     0.367  100.000  100.000
LGA    L    83_B      L    83_B     0.224     0    0.015   0.075     0.278  100.000  100.000
LGA    K    84_B      K    84_B     0.413     0    0.051   0.688     2.004  100.000   92.011
LGA    P    85_B      P    85_B     0.288     0    0.054   0.083     0.328  100.000  100.000
LGA    E    86_B      E    86_B     0.167     0    0.032   0.569     1.774  100.000   93.862
LGA    D    87_B      D    87_B     0.169     0    0.015   0.113     0.308  100.000  100.000
LGA    T    88_B      T    88_B     0.219     0    0.056   0.110     0.409  100.000  100.000
LGA    A    89_B      A    89_B     0.287     0    0.047   0.074     0.419  100.000  100.000
LGA    M    90_B      M    90_B     0.176     0    0.039   1.025     1.924  100.000   90.893
LGA    Y    91_B      Y    91_B     0.324     0    0.012   0.070     0.344  100.000  100.000
LGA    Y    92_B      Y    92_B     0.382     0    0.016   0.108     0.740  100.000   96.032
LGA    C    93_B      C    93_B     0.227     0    0.051   0.732     2.803  100.000   92.857
LGA    A    94_B      A    94_B     0.288     0    0.035   0.032     0.333  100.000  100.000
LGA    A    95_B      A    95_B     0.310     0    0.015   0.025     0.380  100.000  100.000
LGA    Y    96_B      Y    96_B     0.760     0    0.047   0.161     2.482   90.476   79.603
LGA    W    97_B      W    97_B     0.664     0    0.039   0.159     0.955   90.476   93.197
LGA    K    98_B      K    98_B     0.821     0    0.040   0.084     1.391   90.476   86.455
LGA    G    99_B      G    99_B     0.809     0    0.080   0.080     1.202   88.214   88.214
LGA    Y   100_B      Y   100_B     0.924     0    0.063   0.114     1.400   90.476   84.444
LGA    K   101_B      K   101_B     0.929     0    0.119   0.621     1.870   83.810   83.598
LGA    Y   102_B      Y   102_B     1.109     0    0.032   0.058     2.110   83.690   77.937
LGA    H   103_B      H   103_B     1.582     0    0.020   0.252     2.565   79.405   72.286
LGA    P   104_B      P   104_B     1.208     0    0.035   0.267     2.462   85.952   79.184
LGA    K   105_B      K   105_B     0.847     0    0.031   0.838     4.432   88.214   71.905
LGA    F   106_B      F   106_B     0.509     0    0.051   0.211     0.606   90.476   94.805
LGA    D   107_B      D   107_B     0.860     0    0.032   0.104     1.285   90.476   85.952
LGA    D   108_B      D   108_B     0.620     0    0.027   0.360     1.598   90.476   87.143
LGA    S   109_B      S   109_B     1.224     0    0.019   0.059     1.558   83.690   80.079
LGA    A   110_B      A   110_B     1.319     0    0.035   0.039     1.441   81.429   81.429
LGA    Y   111_B      Y   111_B     0.462     0    0.096   0.153     0.771   95.238   94.444
LGA    E   112_B      E   112_B     0.139     0    0.018   0.569     2.225  100.000   92.910
LGA    Y   113_B      Y   113_B     0.205     0    0.047   0.111     1.393  100.000   91.429
LGA    W   114_B      W   114_B     0.440     0    0.020   0.086     0.591   97.619   97.279
LGA    G   115_B      G   115_B     0.521     0    0.050   0.050     0.689   92.857   92.857
LGA    Q   116_B      Q   116_B     0.353     0    0.034   0.982     5.023  100.000   80.159
LGA    G   117_B      G   117_B     0.324     0    0.023   0.023     0.324  100.000  100.000
LGA    T   118_B      T   118_B     0.393     0    0.022   1.285     2.740  100.000   87.483
LGA    Q   119_B      Q   119_B     0.402     0    0.025   0.120     0.522  100.000   97.884
LGA    V   120_B      V   120_B     0.144     0    0.024   0.074     0.291  100.000  100.000
LGA    T   121_B      T   121_B     0.260     0    0.020   0.074     0.425  100.000  100.000
LGA    V   122_B      V   122_B     0.181     0    0.071   0.102     0.353  100.000  100.000
LGA    S   123_B      S   123_B     0.093     0    0.097   0.148     0.498  100.000  100.000
LGA    S   124_B      S   124_B     0.421     0    0.336   0.757     3.196   95.357   86.984

# 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):     0.818          0.877                  1.222           94.517   91.141

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    124    0.82    97.177    98.737    13.506

LGA_LOCAL      RMSD:   0.818  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.818  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   0.818  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.164900 * X  +  -0.059325 * Y  +  -0.984525 * Z  +   0.323197
  Y_new =   0.648488 * X  +  -0.758621 * Y  +  -0.062904 * Z  + -42.788185
  Z_new =  -0.743149 * X  +  -0.648826 * Y  +   0.163568 * Z  +  17.436584 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.819802  0.837765 -1.323844   [DEG:  104.2670   48.0004  -75.8507 ]
ZXZ: -1.506990  1.406490 -2.288536   [DEG:  -86.3442   80.5860 -131.1234 ]
 
# END of job
