
#######################################################
#                                                     #
#                        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       1.93     1.93
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.93     1.93
  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     2.03
  LCS_AVERAGE:     65.22

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     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     99  125  125     72  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     99  125  125      3   97  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     99  125  125     70  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     99  125  125     57  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     99  125  125     77  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     99  125  125     75  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     99  125  125     75  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     99  125  125     75  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     99  125  125     75  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     99  125  125     43  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     99  125  125      5   81  113  116  116  117  117  120  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     99  125  125     16  107  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     99  125  125      6  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     99  125  125     24  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     99  125  125     38  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     99  125  125     72  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     99  125  125     32  105  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     99  125  125     70  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     99  125  125     32  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     99  125  125      3   12   69  113  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     99  125  125     41  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     99  125  125     72  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     99  125  125     72  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     99  125  125     69  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     99  125  125     74  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     99  125  125     69  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     99  125  125     35  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     99  125  125     77  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     99  125  125     77  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     99  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     99  125  125     61  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     99  125  125      3   37  111  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     99  125  125      4    5   11   45   88  116  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B      5  125  125      4    5   19   28   40  101  119  121  121  122  123  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    6    7   20   26   32   35  115  123  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      5  125  125      4    4    5    6    6    6   18   23   26   60   91  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      5  125  125      4    4   13   29   58   93  118  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      3  125  125      3    3    4    6   14   19   42   52   89  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      3  125  125      3    4    4    8   21   72  109  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      3  125  125      3    4    4    7    9   94  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     19  125  125     72  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     19  125  125     65  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     19  125  125     41  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     19  125  125     41  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     19  125  125     55  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     19  125  125     60  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     19  125  125     78  111  114  116  116  117  119  121  121  122  123  123  124  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.41  (  65.22  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     78    111    114    116    116    117    119    121    121    122    123    123    124    125    125    125    125    125    125    125 
GDT PERCENT_AT  62.40  88.80  91.20  92.80  92.80  93.60  95.20  96.80  96.80  97.60  98.40  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.50   0.53   0.60   0.60   0.69   1.11   1.39   1.26   1.41   1.55   1.55   1.74   1.93   1.93   1.93   1.93   1.93   1.93   1.93
GDT RMS_ALL_AT   2.12   2.08   2.07   2.08   2.08   2.06   1.99   1.95   1.97   1.96   1.95   1.95   1.94   1.93   1.93   1.93   1.93   1.93   1.93   1.93

# 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    46_B      E    46_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  E    55_B      E    55_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     0.591     0    0.655   0.500     9.937   88.810   50.106
LGA    L     6_B      L     6_B     0.797     0    0.022   0.181     1.004   90.476   89.345
LGA    V     7_B      V     7_B     0.656     0    0.152   0.892     2.579   92.857   84.558
LGA    E     8_B      E     8_B     0.857     0    0.052   0.244     1.039   88.214   89.471
LGA    S     9_B      S     9_B     0.626     0    0.058   0.490     1.956   95.238   90.714
LGA    G    10_B      G    10_B     0.624     0    0.687   0.687     3.058   82.738   82.738
LGA    G    11_B      G    11_B     1.356     0    0.051   0.051     1.536   83.810   83.810
LGA    G    12_B      G    12_B     1.087     0    0.038   0.038     1.087   88.214   88.214
LGA    L    13_B      L    13_B     1.111     0    0.046   0.198     2.010   81.429   79.345
LGA    V    14_B      V    14_B     0.723     0    0.050   1.186     3.095   90.476   82.177
LGA    Q    15_B      Q    15_B     0.489     0    0.013   1.316     5.074   97.619   76.349
LGA    A    16_B      A    16_B     0.464     0    0.042   0.076     0.551   97.619   98.095
LGA    G    17_B      G    17_B     0.547     0    0.039   0.039     0.599   95.238   95.238
LGA    G    18_B      G    18_B     0.328     0    0.070   0.070     1.051   95.357   95.357
LGA    S    19_B      S    19_B     0.343     0    0.061   0.103     0.703   97.619   96.825
LGA    L    20_B      L    20_B     0.302     0    0.023   1.092     2.305  100.000   88.810
LGA    G    21_B      G    21_B     0.385     0    0.048   0.048     0.385  100.000  100.000
LGA    L    22_B      L    22_B     0.329     0    0.020   0.094     0.398  100.000  100.000
LGA    S    23_B      S    23_B     0.456     0    0.014   0.096     0.708   95.238   95.238
LGA    C    24_B      C    24_B     0.738     0    0.071   0.142     1.105   88.214   88.968
LGA    A    25_B      A    25_B     0.649     0    0.076   0.092     0.656   92.857   92.381
LGA    A    26_B      A    26_B     0.875     0    0.061   0.071     1.018   88.214   88.667
LGA    S    27_B      S    27_B     0.671     0    0.211   0.295     2.684   79.881   81.905
LGA    G    28_B      G    28_B     1.329     0    0.069   0.069     2.361   75.119   75.119
LGA    R    29_B      R    29_B     2.937     0    0.479   0.910     9.104   57.500   30.303
LGA    T    30_B      T    30_B     1.061     0    0.161   0.249     3.271   77.262   70.952
LGA    F    31_B      F    31_B     1.100     0    0.027   0.144     1.531   85.952   82.294
LGA    S    32_B      S    32_B     0.824     0    0.064   0.064     1.039   88.214   88.968
LGA    N    33_B      N    33_B     0.811     0    0.072   1.030     2.954   90.476   85.179
LGA    Y    34_B      Y    34_B     1.050     0    0.043   0.164     1.256   83.690   85.198
LGA    V    35_B      V    35_B     1.055     0    0.056   0.943     2.568   83.690   78.027
LGA    M    36_B      M    36_B     0.806     0    0.020   0.223     0.989   90.476   90.476
LGA    A    37_B      A    37_B     0.715     0    0.023   0.028     0.847   90.476   90.476
LGA    W    38_B      W    38_B     0.429     0    0.000   0.081     0.529  100.000   99.320
LGA    F    39_B      F    39_B     0.457     0    0.024   0.062     0.916  100.000   94.805
LGA    R    40_B      R    40_B     0.406     0    0.006   0.154     0.935  100.000   96.537
LGA    Q    41_B      Q    41_B     0.593     0    0.019   0.211     1.339   92.857   89.524
LGA    A    42_B      A    42_B     0.617     0    0.000   0.018     0.675   90.476   90.476
LGA    P    43_B      P    43_B     0.758     0    0.076   0.365     0.994   92.857   91.837
LGA    G    44_B      G    44_B     1.280     0    0.097   0.097     1.280   81.429   81.429
LGA    K    45_B      K    45_B     0.970     0    0.086   0.845     3.212   90.595   80.529
LGA    E    46_B      E    46_B     0.691     0    0.057   0.741     2.212   90.476   81.693
LGA    R    47_B      R    47_B     0.693     0    0.025   0.745     2.018   90.476   84.026
LGA    E    48_B      E    48_B     0.581     0    0.027   0.286     1.317   95.238   91.587
LGA    F    49_B      F    49_B     0.425     0    0.030   0.110     0.574  100.000   95.671
LGA    V    50_B      V    50_B     0.344     0    0.007   0.032     0.413  100.000  100.000
LGA    A    51_B      A    51_B     0.454     0    0.028   0.044     0.502  100.000   98.095
LGA    R    52_B      R    52_B     0.297     0    0.069   0.842     1.780   97.619   85.887
LGA    I    53_B      I    53_B     0.408     0    0.045   0.220     0.850  100.000   97.619
LGA    S    54_B      S    54_B     0.400     0    0.014   0.158     1.181   95.238   92.143
LGA    E    55_B      E    55_B     0.842     0    0.653   0.981     3.831   78.095   69.206
LGA    S    56_B      S    56_B     2.900     0    0.392   0.389     4.824   68.929   56.429
LGA    R    57_B      R    57_B     0.548     0    0.041   0.705     6.672   88.333   60.693
LGA    G    58_B      G    58_B     0.841     0    0.024   0.024     1.144   88.214   88.214
LGA    T    59_B      T    59_B     0.813     0    0.125   0.783     2.493   88.214   84.218
LGA    T    60_B      T    60_B     0.463     0    0.019   0.169     0.654  100.000   98.639
LGA    D    61_B      D    61_B     0.518     0    0.012   0.177     0.970   92.857   91.667
LGA    Y    62_B      Y    62_B     0.361     0    0.022   0.054     0.520  100.000   99.206
LGA    A    63_B      A    63_B     0.384     0    0.023   0.024     0.481  100.000  100.000
LGA    D    64_B      D    64_B     0.550     0    0.077   0.327     1.402   95.238   91.726
LGA    S    65_B      S    65_B     0.759     0    0.027   0.049     0.902   90.476   92.063
LGA    V    66_B      V    66_B     0.692     0    0.035   0.135     0.842   90.476   90.476
LGA    K    67_B      K    67_B     0.741     0    0.016   0.740     3.466   90.476   78.519
LGA    G    68_B      G    68_B     0.599     0    0.099   0.099     0.910   90.476   90.476
LGA    R    69_B      R    69_B     0.250     0    0.022   0.068     0.658  100.000   98.268
LGA    F    70_B      F    70_B     0.163     0    0.011   0.165     0.464  100.000  100.000
LGA    T    71_B      T    71_B     0.167     0    0.017   0.156     0.545  100.000   98.639
LGA    I    72_B      I    72_B     0.375     0    0.039   0.157     0.559  100.000   98.810
LGA    S    73_B      S    73_B     0.249     0    0.042   0.087     0.483  100.000  100.000
LGA    R    74_B      R    74_B     0.232     0    0.088   1.411     4.820  100.000   81.602
LGA    D    75_B      D    75_B     0.315     0    0.000   0.635     1.851   97.619   93.095
LGA    N    76_B      N    76_B     0.324     0    0.115   0.108     0.841   97.619   95.238
LGA    A    77_B      A    77_B     0.456     0    0.024   0.023     0.705   95.238   96.190
LGA    K    78_B      K    78_B     0.832     0    0.029   0.819     1.645   90.476   85.503
LGA    N    79_B      N    79_B     0.466     0    0.026   0.406     1.426   95.238   94.107
LGA    T    80_B      T    80_B     0.656     0    0.088   1.248     2.970   90.476   82.041
LGA    I    81_B      I    81_B     0.779     0    0.022   0.384     1.386   92.857   89.405
LGA    Y    82_B      Y    82_B     0.376     0    0.043   0.079     0.728  100.000   97.619
LGA    L    83_B      L    83_B     0.361     0    0.031   0.141     0.463  100.000  100.000
LGA    Q    84_B      Q    84_B     0.367     0    0.035   0.116     1.067  100.000   93.757
LGA    M    85_B      M    85_B     0.339     0    0.056   0.680     1.878   97.619   93.095
LGA    N    86_B      N    86_B     0.434     0    0.000   0.220     0.860  100.000   96.429
LGA    S    87_B      S    87_B     0.538     0    0.000   0.193     1.153   95.238   92.143
LGA    L    88_B      L    88_B     0.496     0    0.087   0.135     0.704   92.857   94.048
LGA    N    89_B      N    89_B     0.845     0    0.009   0.168     1.063   90.476   89.345
LGA    P    90_B      P    90_B     0.957     0    0.050   0.055     1.167   90.476   86.599
LGA    G    91_B      G    91_B     0.840     0    0.008   0.008     0.916   90.476   90.476
LGA    D    92_B      D    92_B     0.529     0    0.007   0.150     0.568   90.476   92.857
LGA    T    93_B      T    93_B     0.589     0    0.022   0.073     0.777   90.476   90.476
LGA    A    94_B      A    94_B     0.473     0    0.052   0.072     0.581   97.619   96.190
LGA    V    95_B      V    95_B     0.258     0    0.012   0.113     0.427  100.000  100.000
LGA    Y    96_B      Y    96_B     0.127     0    0.070   0.110     0.316  100.000  100.000
LGA    S    97_B      S    97_B     0.414     0    0.017   0.035     0.526   97.619   98.413
LGA    C    98_B      C    98_B     0.596     0    0.017   0.062     0.723   92.857   92.063
LGA    A    99_B      A    99_B     0.699     0    0.015   0.030     0.915   90.476   90.476
LGA    A   100_B      A   100_B     0.992     0    0.018   0.023     1.199   85.952   85.048
LGA    T   101_B      T   101_B     1.468     0    0.072   1.210     3.851   73.214   67.687
LGA    L   102_B      L   102_B     2.154     0    0.040   0.134     5.458   66.786   53.333
LGA    P   103_B      P   103_B     4.985     0    0.668   0.601     6.427   33.095   27.551
LGA    A   104_B      A   104_B     5.356     0    0.054   0.067     7.085   21.071   18.857
LGA    W   105_B      W   105_B     9.698     0    0.075   0.893    13.595    2.024    0.782
LGA    T   106_B      T   106_B     9.243     0    0.153   0.152     9.987    3.095    3.469
LGA    G   107_B      G   107_B     6.037     0    0.667   0.667     6.872   20.833   20.833
LGA    I   108_B      I   108_B     7.403     0    0.600   0.628    12.085    9.524    4.821
LGA    I   109_B      I   109_B     6.762     0    0.490   0.806     8.927   18.333   12.619
LGA    G   110_B      G   110_B     5.277     0    0.583   0.583     5.700   37.024   37.024
LGA    G   111_B      G   111_B     1.248     0    0.677   0.677     1.701   83.810   83.810
LGA    R   112_B      R   112_B     0.731     0    0.014   0.391     1.275   90.476   88.831
LGA    R   113_B      R   113_B     0.953     0    0.035   0.149     2.712   90.476   77.229
LGA    P   114_B      P   114_B     0.907     0    0.080   0.360     1.230   90.476   89.184
LGA    G   115_B      G   115_B     1.115     0    0.029   0.029     1.258   83.690   83.690
LGA    N   116_B      N   116_B     1.008     0    0.051   0.357     2.146   88.214   81.667
LGA    Y   117_B      Y   117_B     0.762     0    0.008   0.109     1.041   88.214   90.516
LGA    P   118_B      P   118_B     1.003     0    0.027   0.046     1.117   85.952   85.306
LGA    Y   119_B      Y   119_B     0.824     0    0.026   0.122     0.914   90.476   91.270
LGA    W   120_B      W   120_B     0.771     0    0.076   0.136     1.049   88.214   88.537
LGA    G   121_B      G   121_B     0.697     0    0.010   0.010     0.914   90.476   90.476
LGA    Q   122_B      Q   122_B     0.975     0    0.012   1.598     7.945   90.476   59.153
LGA    G   123_B      G   123_B     0.542     0    0.098   0.098     0.741   90.476   90.476
LGA    T   124_B      T   124_B     0.295     0    0.029   0.142     0.721  100.000   98.639
LGA    Q   125_B      Q   125_B     0.268     0    0.029   0.199     0.654  100.000   97.884
LGA    V   126_B      V   126_B     0.444     0    0.050   0.160     0.733   95.238   95.918
LGA    T   127_B      T   127_B     0.767     0    0.038   0.062     1.120   90.476   89.184
LGA    V   128_B      V   128_B     0.637     0    0.011   0.083     0.809   90.476   90.476
LGA    S   129_B      S   129_B     0.619     0    0.113   0.662     2.469   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):     1.933          1.924                  2.478           86.965   83.447

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    121    1.39    94.600    96.242     8.138

LGA_LOCAL      RMSD:   1.387  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.951  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.933  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.119585 * X  +  -0.938523 * Y  +   0.323842 * Z  + 125.877296
  Y_new =  -0.946988 * X  +  -0.205791 * Y  +  -0.246707 * Z  +   6.511561
  Z_new =   0.298184 * X  +  -0.277172 * Y  +  -0.913379 * Z  + -19.732822 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.445182 -0.302789 -2.846966   [DEG:  -82.8028  -17.3485 -163.1192 ]
ZXZ:  0.919779  2.722306  2.319692   [DEG:   52.6995  155.9766  132.9086 ]
 
# END of job
