
#######################################################
#                                                     #
#                        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  140 ( 1064),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  939),  selected  125 , 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:   125       5_B - 129_B       1.95     1.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.95     1.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99       5_B - 103_B       0.89     2.04
  LCS_AVERAGE:     65.24

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     5_B     Q     5_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     99  125  125     25   93  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     99  125  125     63  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     99  125  125     63  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     99  125  125      4   19  100  113  116  117  117  118  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     99  125  125     42  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     99  125  125     24  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     99  125  125     34  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     99  125  125     46  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     99  125  125     70  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     99  125  125      6   77  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     99  125  125     64  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     99  125  125     23  108  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     99  125  125      3    7   71  113  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     99  125  125     18  104  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     99  125  125     23  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     99  125  125     79  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     99  125  125     74  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     99  125  125     77  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     99  125  125     29  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     99  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     99  125  125     59  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     99  125  125     16   50  113  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     99  125  125      4    6   27   62  106  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B      7  125  125      4    6    8   22   72  112  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      5  125  125      4    4    5    6    6   14   18   21   23   40   48   97  118  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      5  125  125      4    4    5    6    6    6   10   16   29   54   85  114  124  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      5  125  125      4    4   14   28   52   94  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      3    3    4    6    8   21   30   89  107  119  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      3    3    3    8   20   50  100  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      3  125  125      3    3    3    6    8   93  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     19  125  125     70  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     19  125  125     79  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     19  125  125     62  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     19  125  125     76  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     19  125  125     62  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     19  125  125     64  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     19  125  125     80  109  114  115  116  117  118  121  121  122  122  123  124  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.41  (  65.24  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     80    109    114    115    116    117    118    121    121    122    122    123    124    125    125    125    125    125    125    125 
GDT PERCENT_AT  64.00  87.20  91.20  92.00  92.80  93.60  94.40  96.80  96.80  97.60  97.60  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.46   0.54   0.57   0.62   0.70   0.96   1.38   1.26   1.41   1.41   1.56   1.76   1.95   1.95   1.95   1.95   1.95   1.95   1.95
GDT RMS_ALL_AT   2.14   2.10   2.08   2.08   2.09   2.08   2.02   1.97   1.99   1.97   1.97   1.96   1.96   1.95   1.95   1.95   1.95   1.95   1.95   1.95

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  F    31_B      F    31_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  F    39_B      F    39_B
#   possible swapping detected:  E    48_B      E    48_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    82_B      Y    82_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     0.511     0    0.669   0.976     8.515   88.810   51.905
LGA    L     6_B      L     6_B     0.723     0    0.026   0.158     0.944   90.476   90.476
LGA    V     7_B      V     7_B     0.606     0    0.151   0.882     2.497   92.857   85.646
LGA    E     8_B      E     8_B     0.840     0    0.061   0.250     1.017   88.214   89.471
LGA    S     9_B      S     9_B     0.609     0    0.051   0.488     1.901   95.238   90.714
LGA    G    10_B      G    10_B     0.565     0    0.696   0.696     2.993   84.524   84.524
LGA    G    11_B      G    11_B     1.426     0    0.075   0.075     1.575   81.548   81.548
LGA    G    12_B      G    12_B     1.028     0    0.040   0.040     1.028   88.214   88.214
LGA    L    13_B      L    13_B     1.108     0    0.043   0.210     2.124   81.429   78.274
LGA    V    14_B      V    14_B     0.744     0    0.046   1.157     2.935   90.476   83.197
LGA    Q    15_B      Q    15_B     0.628     0    0.009   1.322     4.803   90.476   72.857
LGA    A    16_B      A    16_B     0.580     0    0.029   0.061     0.709   90.476   90.476
LGA    G    17_B      G    17_B     0.605     0    0.043   0.043     0.623   95.238   95.238
LGA    G    18_B      G    18_B     0.370     0    0.064   0.064     1.053   92.976   92.976
LGA    S    19_B      S    19_B     0.367     0    0.080   0.129     0.754   97.619   96.825
LGA    L    20_B      L    20_B     0.388     0    0.044   1.203     2.555   97.619   86.667
LGA    G    21_B      G    21_B     0.487     0    0.027   0.027     0.487  100.000  100.000
LGA    L    22_B      L    22_B     0.342     0    0.020   0.060     0.347  100.000  100.000
LGA    S    23_B      S    23_B     0.451     0    0.010   0.076     0.657   95.238   95.238
LGA    C    24_B      C    24_B     0.717     0    0.066   0.134     1.036   88.214   88.968
LGA    A    25_B      A    25_B     0.551     0    0.056   0.066     0.561   92.857   92.381
LGA    A    26_B      A    26_B     0.712     0    0.042   0.051     0.893   90.476   90.476
LGA    S    27_B      S    27_B     0.626     0    0.200   0.285     2.589   79.881   81.905
LGA    G    28_B      G    28_B     1.208     0    0.037   0.037     2.315   75.357   75.357
LGA    R    29_B      R    29_B     3.516     0    0.476   0.886    12.616   53.810   23.593
LGA    T    30_B      T    30_B     0.930     0    0.117   0.828     3.738   79.524   72.517
LGA    F    31_B      F    31_B     1.095     0    0.042   0.139     2.456   85.952   75.455
LGA    S    32_B      S    32_B     0.735     0    0.072   0.074     0.922   90.476   90.476
LGA    N    33_B      N    33_B     0.719     0    0.088   1.019     2.867   92.857   86.369
LGA    Y    34_B      Y    34_B     0.914     0    0.019   0.137     1.135   88.214   88.214
LGA    V    35_B      V    35_B     0.969     0    0.044   0.927     2.379   88.214   82.993
LGA    M    36_B      M    36_B     0.998     0    0.015   0.207     1.212   90.476   85.952
LGA    A    37_B      A    37_B     0.877     0    0.019   0.024     1.049   88.214   88.667
LGA    W    38_B      W    38_B     0.516     0    0.000   0.137     0.711   90.476   95.918
LGA    F    39_B      F    39_B     0.542     0    0.037   0.085     0.953   95.238   92.208
LGA    R    40_B      R    40_B     0.509     0    0.029   0.082     0.623   90.476   93.074
LGA    Q    41_B      Q    41_B     0.545     0    0.024   0.215     0.960   92.857   92.593
LGA    A    42_B      A    42_B     0.542     0    0.000   0.016     0.582   90.476   90.476
LGA    P    43_B      P    43_B     0.671     0    0.074   0.360     1.087   90.476   89.184
LGA    G    44_B      G    44_B     1.480     0    0.086   0.086     1.480   81.429   81.429
LGA    K    45_B      K    45_B     0.916     0    0.084   0.826     3.190   90.595   81.323
LGA    E    46_B      E    46_B     0.550     0    0.041   0.871     2.398   90.476   84.656
LGA    R    47_B      R    47_B     0.560     0    0.037   0.760     3.194   90.476   83.593
LGA    E    48_B      E    48_B     0.803     0    0.051   0.495     1.423   92.857   86.508
LGA    F    49_B      F    49_B     0.504     0    0.038   0.102     0.657   95.238   92.208
LGA    V    50_B      V    50_B     0.389     0    0.007   0.025     0.450  100.000  100.000
LGA    A    51_B      A    51_B     0.460     0    0.034   0.047     0.481  100.000  100.000
LGA    R    52_B      R    52_B     0.594     0    0.025   0.631     2.001   92.857   89.004
LGA    I    53_B      I    53_B     0.516     0    0.073   0.235     1.035   95.238   92.917
LGA    S    54_B      S    54_B     0.503     0    0.037   0.090     1.235   88.214   87.460
LGA    E    55_B      E    55_B     1.118     0    0.698   1.099     3.650   72.024   74.497
LGA    S    56_B      S    56_B     2.894     0    0.342   0.365     4.326   62.857   54.286
LGA    R    57_B      R    57_B     1.157     0    0.045   0.678     7.511   83.810   57.619
LGA    G    58_B      G    58_B     0.922     0    0.043   0.043     0.962   90.476   90.476
LGA    T    59_B      T    59_B     0.574     0    0.134   0.813     2.210   88.214   84.354
LGA    T    60_B      T    60_B     0.397     0    0.032   0.169     0.680  100.000   98.639
LGA    D    61_B      D    61_B     0.441     0    0.014   0.182     0.847  100.000   96.429
LGA    Y    62_B      Y    62_B     0.339     0    0.018   0.052     0.559  100.000   98.413
LGA    A    63_B      A    63_B     0.318     0    0.023   0.025     0.408  100.000  100.000
LGA    D    64_B      D    64_B     0.434     0    0.071   0.351     1.185  100.000   96.488
LGA    S    65_B      S    65_B     0.667     0    0.015   0.043     0.809   90.476   92.063
LGA    V    66_B      V    66_B     0.622     0    0.022   0.106     0.724   90.476   90.476
LGA    K    67_B      K    67_B     0.719     0    0.013   0.781     3.608   90.476   77.778
LGA    G    68_B      G    68_B     0.522     0    0.097   0.097     0.811   90.476   90.476
LGA    R    69_B      R    69_B     0.236     0    0.022   0.138     0.686  100.000   98.268
LGA    F    70_B      F    70_B     0.149     0    0.008   0.154     0.451  100.000  100.000
LGA    T    71_B      T    71_B     0.210     0    0.022   0.163     0.579  100.000   98.639
LGA    I    72_B      I    72_B     0.382     0    0.039   0.152     0.640  100.000   98.810
LGA    S    73_B      S    73_B     0.264     0    0.034   0.097     0.461  100.000  100.000
LGA    R    74_B      R    74_B     0.215     0    0.060   0.491     2.117  100.000   92.554
LGA    D    75_B      D    75_B     0.298     0    0.000   0.657     1.868   97.619   93.095
LGA    N    76_B      N    76_B     0.384     0    0.093   0.103     0.889   97.619   95.238
LGA    A    77_B      A    77_B     0.528     0    0.011   0.011     0.676   92.857   92.381
LGA    K    78_B      K    78_B     0.780     0    0.027   0.833     1.686   90.476   85.503
LGA    N    79_B      N    79_B     0.531     0    0.028   0.378     1.527   90.476   90.655
LGA    T    80_B      T    80_B     0.543     0    0.080   1.236     2.838   92.857   82.313
LGA    I    81_B      I    81_B     0.682     0    0.030   0.392     1.413   95.238   91.726
LGA    Y    82_B      Y    82_B     0.348     0    0.049   0.093     0.745  100.000   97.619
LGA    L    83_B      L    83_B     0.389     0    0.035   0.146     0.461  100.000  100.000
LGA    Q    84_B      Q    84_B     0.423     0    0.052   0.129     1.291  100.000   91.693
LGA    M    85_B      M    85_B     0.403     0    0.063   0.660     1.660   95.238   91.905
LGA    N    86_B      N    86_B     0.524     0    0.000   0.281     1.217   97.619   92.917
LGA    S    87_B      S    87_B     0.617     0    0.000   0.189     1.258   90.476   88.968
LGA    L    88_B      L    88_B     0.551     0    0.084   0.144     0.747   90.476   91.667
LGA    N    89_B      N    89_B     0.843     0    0.012   0.309     1.143   90.476   89.345
LGA    P    90_B      P    90_B     0.903     0    0.041   0.047     1.151   90.476   86.599
LGA    G    91_B      G    91_B     0.790     0    0.026   0.026     0.859   90.476   90.476
LGA    D    92_B      D    92_B     0.398     0    0.000   0.158     0.507  100.000   98.810
LGA    T    93_B      T    93_B     0.491     0    0.027   0.066     0.708   97.619   95.918
LGA    A    94_B      A    94_B     0.418     0    0.051   0.075     0.491  100.000  100.000
LGA    V    95_B      V    95_B     0.215     0    0.019   0.121     0.387  100.000  100.000
LGA    Y    96_B      Y    96_B     0.114     0    0.080   0.094     0.285  100.000  100.000
LGA    S    97_B      S    97_B     0.425     0    0.019   0.027     0.538   97.619   98.413
LGA    C    98_B      C    98_B     0.587     0    0.009   0.054     0.685   92.857   92.063
LGA    A    99_B      A    99_B     0.750     0    0.025   0.036     1.066   88.214   88.667
LGA    A   100_B      A   100_B     0.934     0    0.027   0.026     1.104   85.952   86.857
LGA    T   101_B      T   101_B     1.409     0    0.081   1.172     3.779   75.357   70.136
LGA    L   102_B      L   102_B     1.926     0    0.045   0.241     5.139   72.976   56.548
LGA    P   103_B      P   103_B     4.569     0    0.686   0.651     6.008   36.190   30.680
LGA    A   104_B      A   104_B     5.194     0    0.054   0.058     6.878   23.452   21.429
LGA    W   105_B      W   105_B     9.742     0    0.060   1.071    15.979    2.024    1.429
LGA    T   106_B      T   106_B     9.399     0    0.173   0.182    10.092    2.143    2.449
LGA    G   107_B      G   107_B     6.144     0    0.670   0.670     6.997   19.524   19.524
LGA    I   108_B      I   108_B     7.657     0    0.611   0.627    12.213    6.786    3.452
LGA    I   109_B      I   109_B     6.990     0    0.522   0.775     8.853   15.238   10.714
LGA    G   110_B      G   110_B     5.242     0    0.575   0.575     5.758   37.024   37.024
LGA    G   111_B      G   111_B     1.326     0    0.670   0.670     1.863   83.810   83.810
LGA    R   112_B      R   112_B     0.742     0    0.034   0.384     1.176   90.476   88.831
LGA    R   113_B      R   113_B     1.025     0    0.036   0.176     3.238   88.214   72.900
LGA    P   114_B      P   114_B     0.960     0    0.090   0.363     1.251   90.476   89.184
LGA    G   115_B      G   115_B     0.934     0    0.026   0.026     1.038   88.214   88.214
LGA    N   116_B      N   116_B     0.906     0    0.046   0.375     2.159   90.476   85.000
LGA    Y   117_B      Y   117_B     0.756     0    0.028   0.100     1.038   88.214   89.722
LGA    P   118_B      P   118_B     0.879     0    0.026   0.038     0.977   90.476   90.476
LGA    Y   119_B      Y   119_B     0.750     0    0.023   0.084     0.854   90.476   92.063
LGA    W   120_B      W   120_B     0.749     0    0.072   0.213     1.438   88.214   87.891
LGA    G   121_B      G   121_B     0.634     0    0.012   0.012     0.840   90.476   90.476
LGA    Q   122_B      Q   122_B     0.900     0    0.003   1.306     7.008   90.476   62.910
LGA    G   123_B      G   123_B     0.521     0    0.075   0.075     0.617   92.857   92.857
LGA    T   124_B      T   124_B     0.304     0    0.027   0.203     0.858  100.000   98.639
LGA    Q   125_B      Q   125_B     0.189     0    0.043   0.073     0.347  100.000  100.000
LGA    V   126_B      V   126_B     0.371     0    0.032   0.143     0.700  100.000   98.639
LGA    T   127_B      T   127_B     0.695     0    0.035   0.095     1.125   90.476   89.184
LGA    V   128_B      V   128_B     0.645     0    0.029   0.089     0.816   90.476   90.476
LGA    S   129_B      S   129_B     0.779     0    0.114   0.644     2.211   83.810   81.746

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     939    939  100.00               125
SUMMARY(RMSD_GDC):     1.951          1.942                  2.570           86.685   83.517

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    121    1.38    94.000    95.982     8.188

LGA_LOCAL      RMSD:   1.378  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.968  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.951  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.681996 * X  +   0.715114 * Y  +  -0.153279 * Z  + 127.572701
  Y_new =   0.132785 * X  +   0.327172 * Y  +   0.935589 * Z  +   4.304548
  Z_new =   0.719201 * X  +   0.617714 * Y  +  -0.318086 * Z  + -20.407934 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.949297 -0.802652  2.046325   [DEG:  168.9823  -45.9886  117.2458 ]
ZXZ: -2.979204  1.894507  0.861164   [DEG: -170.6958  108.5472   49.3411 ]
 
# END of job
