
#######################################################
#                                                     #
#                        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       1.60     1.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       5_B - 129_B       1.60     1.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97       5_B - 101_B       0.99     1.67
  LCS_AVERAGE:     64.05

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     97  125  125     48  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L     6_B     L     6_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V     7_B     V     7_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E     8_B     E     8_B     97  125  125     64  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S     9_B     S     9_B     97  125  125     67  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    10_B     G    10_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    11_B     G    11_B     97  125  125     24  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    12_B     G    12_B     97  125  125     47  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    13_B     L    13_B     97  125  125     47  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    14_B     V    14_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    15_B     Q    15_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    16_B     A    16_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    17_B     G    17_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    18_B     G    18_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    19_B     S    19_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    20_B     L    20_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    21_B     G    21_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    22_B     L    22_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    23_B     S    23_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    24_B     C    24_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    25_B     A    25_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    26_B     A    26_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    27_B     S    27_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    28_B     G    28_B     97  125  125     31  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    29_B     R    29_B     97  125  125      3    3    7   30  111  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    30_B     T    30_B     97  125  125      3    3    7   53   92  116  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    31_B     F    31_B     97  125  125      3    3   48   93  111  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    32_B     S    32_B     97  125  125      3   55   95  109  112  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    33_B     N    33_B     97  125  125      5   22   62  101  112  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    34_B     Y    34_B     97  125  125      3   22   62   84  111  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    35_B     V    35_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    36_B     M    36_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    37_B     A    37_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W    38_B     W    38_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    39_B     F    39_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    40_B     R    40_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    41_B     Q    41_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    42_B     A    42_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    43_B     P    43_B     97  125  125     62  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    44_B     G    44_B     97  125  125     12  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    45_B     K    45_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    46_B     E    46_B     97  125  125     19  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    47_B     R    47_B     97  125  125     66  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    48_B     E    48_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    49_B     F    49_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    50_B     V    50_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    51_B     A    51_B     97  125  125     70  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    52_B     R    52_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    53_B     I    53_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    54_B     S    54_B     97  125  125     66  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     E    55_B     E    55_B     97  125  125      6   35  105  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    56_B     S    56_B     97  125  125      5   64  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    57_B     R    57_B     97  125  125      5   98  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    58_B     G    58_B     97  125  125     23  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    59_B     T    59_B     97  125  125     58  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    60_B     T    60_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    61_B     D    61_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    62_B     Y    62_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    63_B     A    63_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    64_B     D    64_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    65_B     S    65_B     97  125  125     65  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    66_B     V    66_B     97  125  125     65  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    67_B     K    67_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    68_B     G    68_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    69_B     R    69_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     F    70_B     F    70_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    71_B     T    71_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    72_B     I    72_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    73_B     S    73_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R    74_B     R    74_B     97  125  125     65  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    75_B     D    75_B     97  125  125     51  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    76_B     N    76_B     97  125  125     47  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    77_B     A    77_B     97  125  125     57  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     K    78_B     K    78_B     97  125  125     14   99  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    79_B     N    79_B     97  125  125     70  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    80_B     T    80_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I    81_B     I    81_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    82_B     Y    82_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    83_B     L    83_B     97  125  125     70  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q    84_B     Q    84_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     M    85_B     M    85_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    86_B     N    86_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    87_B     S    87_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L    88_B     L    88_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N    89_B     N    89_B     97  125  125     69  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P    90_B     P    90_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G    91_B     G    91_B     97  125  125     48  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     D    92_B     D    92_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T    93_B     T    93_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    94_B     A    94_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V    95_B     V    95_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y    96_B     Y    96_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S    97_B     S    97_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     C    98_B     C    98_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A    99_B     A    99_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   100_B     A   100_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   101_B     T   101_B     97  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     L   102_B     L   102_B     71  125  125      3   24  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   103_B     P   103_B     70  125  125      3    4    5   28   91   99  114  119  120  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     A   104_B     A   104_B     70  125  125      3    4    5    5    5   48  110  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   105_B     W   105_B      4  125  125      3    4   14   20   54   72  116  118  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   106_B     T   106_B      4  125  125      4    4    5    5   16   38   88  103  115  117  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   107_B     G   107_B      4  125  125      4    4    5   87  113  115  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   108_B     I   108_B      5  125  125      9   35  105  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     I   109_B     I   109_B      5  125  125      4    5    6   27   52   98  115  118  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   110_B     G   110_B      5  125  125      3    5    6    8   86  114  118  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   111_B     G   111_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   112_B     R   112_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     R   113_B     R   113_B     19  125  125     66  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   114_B     P   114_B     19  125  125     36  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   115_B     G   115_B     19  125  125     15  100  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     N   116_B     N   116_B     19  125  125     32  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   117_B     Y   117_B     19  125  125     66  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     P   118_B     P   118_B     19  125  125     32  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Y   119_B     Y   119_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     W   120_B     W   120_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   121_B     G   121_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   122_B     Q   122_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     G   123_B     G   123_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   124_B     T   124_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     Q   125_B     Q   125_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   126_B     V   126_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     T   127_B     T   127_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     V   128_B     V   128_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_GDT     S   129_B     S   129_B     19  125  125     71  102  109  111  113  117  119  121  123  123  124  125  125  125  125  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  88.02  (  64.05  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     71    102    109    111    113    117    119    121    123    123    124    125    125    125    125    125    125    125    125    125 
GDT PERCENT_AT  56.80  81.60  87.20  88.80  90.40  93.60  95.20  96.80  98.40  98.40  99.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.50   0.61   0.67   0.82   0.96   1.07   1.20   1.40   1.40   1.48   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60
GDT RMS_ALL_AT   1.71   1.67   1.64   1.64   1.62   1.64   1.62   1.62   1.60   1.60   1.61   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60   1.60

# Checking swapping
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  E    46_B      E    46_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   119_B      Y   119_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     5_B      Q     5_B     1.122     0    0.671   0.747    10.183   81.786   42.751
LGA    L     6_B      L     6_B     0.263     0    0.058   0.209     0.920   97.619   97.619
LGA    V     7_B      V     7_B     0.351     0    0.100   0.877     2.375   97.619   88.367
LGA    E     8_B      E     8_B     0.586     0    0.036   0.573     1.713   90.476   88.519
LGA    S     9_B      S     9_B     0.477     0    0.050   0.146     1.036  100.000   95.317
LGA    G    10_B      G    10_B     0.563     0    0.684   0.684     3.248   80.476   80.476
LGA    G    11_B      G    11_B     0.969     0    0.056   0.056     1.268   88.214   88.214
LGA    G    12_B      G    12_B     0.990     0    0.038   0.038     0.990   90.476   90.476
LGA    L    13_B      L    13_B     1.027     0    0.125   1.090     4.292   83.690   74.940
LGA    V    14_B      V    14_B     0.652     0    0.067   1.104     2.798   92.857   84.558
LGA    Q    15_B      Q    15_B     0.627     0    0.087   1.111     3.460   90.476   82.011
LGA    A    16_B      A    16_B     0.745     0    0.083   0.093     0.987   90.476   90.476
LGA    G    17_B      G    17_B     0.736     0    0.067   0.067     0.747   90.476   90.476
LGA    G    18_B      G    18_B     0.650     0    0.086   0.086     1.079   88.214   88.214
LGA    S    19_B      S    19_B     0.593     0    0.039   0.092     1.052   92.857   90.556
LGA    L    20_B      L    20_B     0.391     0    0.055   1.083     2.367  100.000   88.810
LGA    G    21_B      G    21_B     0.536     0    0.084   0.084     0.536   97.619   97.619
LGA    L    22_B      L    22_B     0.270     0    0.052   0.101     0.502  100.000   98.810
LGA    S    23_B      S    23_B     0.254     0    0.032   0.135     0.430  100.000  100.000
LGA    C    24_B      C    24_B     0.256     0    0.047   0.087     0.352  100.000  100.000
LGA    A    25_B      A    25_B     0.157     0    0.065   0.096     0.510   97.619   98.095
LGA    A    26_B      A    26_B     0.209     0    0.027   0.034     0.310  100.000  100.000
LGA    S    27_B      S    27_B     0.426     0    0.184   0.592     4.012   84.643   76.190
LGA    G    28_B      G    28_B     1.146     0    0.531   0.531     3.137   76.071   76.071
LGA    R    29_B      R    29_B     2.972     0    0.454   0.977    12.319   53.810   23.203
LGA    T    30_B      T    30_B     3.170     0    0.269   0.386     5.507   63.333   49.048
LGA    F    31_B      F    31_B     3.338     0    0.349   1.381     6.563   53.571   32.900
LGA    S    32_B      S    32_B     2.602     0    0.680   0.638     3.940   53.690   54.841
LGA    N    33_B      N    33_B     3.065     0    0.090   0.180     3.630   51.786   50.060
LGA    Y    34_B      Y    34_B     3.278     0    0.271   0.512     7.789   55.476   33.492
LGA    V    35_B      V    35_B     0.499     0    0.091   0.889     2.299   92.976   86.939
LGA    M    36_B      M    36_B     0.809     0    0.048   0.263     0.963   90.476   91.667
LGA    A    37_B      A    37_B     0.511     0    0.041   0.051     0.699   95.238   94.286
LGA    W    38_B      W    38_B     0.348     0    0.036   0.095     0.550  100.000   98.639
LGA    F    39_B      F    39_B     0.353     0    0.038   0.072     0.875  100.000   93.939
LGA    R    40_B      R    40_B     0.358     0    0.017   0.122     0.776  100.000   97.403
LGA    Q    41_B      Q    41_B     0.367     0    0.035   1.077     2.779  100.000   92.222
LGA    A    42_B      A    42_B     0.530     0    0.068   0.068     0.735   92.857   92.381
LGA    P    43_B      P    43_B     0.833     0    0.126   0.413     2.229   90.476   84.218
LGA    G    44_B      G    44_B     1.183     0    0.149   0.149     1.183   85.952   85.952
LGA    K    45_B      K    45_B     0.792     0    0.094   0.272     1.682   95.238   86.667
LGA    E    46_B      E    46_B     0.720     0    0.080   0.751     2.854   92.857   80.952
LGA    R    47_B      R    47_B     0.584     0    0.087   0.779     2.598   90.476   75.758
LGA    E    48_B      E    48_B     0.450     0    0.029   0.470     1.325  100.000   90.688
LGA    F    49_B      F    49_B     0.395     0    0.069   0.135     1.325   97.619   88.961
LGA    V    50_B      V    50_B     0.278     0    0.061   0.114     0.574  100.000   98.639
LGA    A    51_B      A    51_B     0.792     0    0.016   0.037     0.840   90.476   90.476
LGA    R    52_B      R    52_B     0.797     0    0.071   1.161     5.273   92.857   72.944
LGA    I    53_B      I    53_B     0.728     0    0.018   0.182     0.888   92.857   91.667
LGA    S    54_B      S    54_B     0.493     0    0.174   0.694     2.236   92.976   87.857
LGA    E    55_B      E    55_B     2.204     0    0.191   1.452     9.486   63.095   38.783
LGA    S    56_B      S    56_B     2.137     0    0.090   0.643     4.107   70.833   64.206
LGA    R    57_B      R    57_B     1.480     0    0.217   1.156     5.576   77.143   54.848
LGA    G    58_B      G    58_B     0.986     0    0.094   0.094     1.102   88.214   88.214
LGA    T    59_B      T    59_B     0.451     0    0.039   0.845     2.220   97.619   88.367
LGA    T    60_B      T    60_B     0.366     0    0.018   0.875     2.518  100.000   87.483
LGA    D    61_B      D    61_B     0.501     0    0.036   0.127     0.505   97.619   97.619
LGA    Y    62_B      Y    62_B     0.417     0    0.023   0.076     0.954  100.000   94.444
LGA    A    63_B      A    63_B     0.546     0    0.060   0.059     0.590   92.857   92.381
LGA    D    64_B      D    64_B     0.660     0    0.082   1.019     4.084   90.476   76.429
LGA    S    65_B      S    65_B     0.843     0    0.131   0.129     1.025   88.214   90.556
LGA    V    66_B      V    66_B     0.860     0    0.105   0.219     1.060   90.476   89.184
LGA    K    67_B      K    67_B     0.890     0    0.032   0.790     4.359   90.476   73.810
LGA    G    68_B      G    68_B     0.879     0    0.040   0.040     0.908   90.476   90.476
LGA    R    69_B      R    69_B     0.458     0    0.024   0.321     0.947   97.619   93.939
LGA    F    70_B      F    70_B     0.369     0    0.016   0.229     0.960  100.000   98.268
LGA    T    71_B      T    71_B     0.423     0    0.087   0.193     0.825   95.238   94.558
LGA    I    72_B      I    72_B     0.412     0    0.040   0.210     0.718  100.000   98.810
LGA    S    73_B      S    73_B     0.268     0    0.047   0.070     0.433  100.000  100.000
LGA    R    74_B      R    74_B     0.378     0    0.041   1.653     6.314  100.000   70.606
LGA    D    75_B      D    75_B     0.653     0    0.054   0.705     2.043   90.476   83.929
LGA    N    76_B      N    76_B     0.731     0    0.148   0.219     1.312   88.214   89.345
LGA    A    77_B      A    77_B     0.593     0    0.014   0.033     0.998   90.476   90.476
LGA    K    78_B      K    78_B     1.197     0    0.142   1.200     2.098   88.214   76.984
LGA    N    79_B      N    79_B     0.351     0    0.041   0.908     3.066   97.619   84.762
LGA    T    80_B      T    80_B     0.309     0    0.028   0.364     1.353  100.000   97.347
LGA    I    81_B      I    81_B     0.599     0    0.032   0.296     1.163   92.857   90.536
LGA    Y    82_B      Y    82_B     0.469     0    0.027   0.090     0.728  100.000   96.032
LGA    L    83_B      L    83_B     0.656     0    0.035   0.184     0.733   92.857   91.667
LGA    Q    84_B      Q    84_B     0.631     0    0.035   0.882     3.720   95.238   80.794
LGA    M    85_B      M    85_B     0.415     0    0.090   0.732     1.962   92.857   90.714
LGA    N    86_B      N    86_B     0.565     0    0.042   0.294     0.743   95.238   95.238
LGA    S    87_B      S    87_B     0.483     0    0.031   0.708     2.496  100.000   94.127
LGA    L    88_B      L    88_B     0.513     0    0.133   0.241     0.929   90.476   94.048
LGA    N    89_B      N    89_B     0.577     0    0.041   1.003     4.058   95.238   77.083
LGA    P    90_B      P    90_B     0.390     0    0.744   0.671     3.103   82.738   83.469
LGA    G    91_B      G    91_B     0.841     0    0.168   0.168     1.302   88.214   88.214
LGA    D    92_B      D    92_B     0.164     0    0.094   0.097     0.314  100.000  100.000
LGA    T    93_B      T    93_B     0.376     0    0.050   0.140     0.746  100.000   98.639
LGA    A    94_B      A    94_B     0.380     0    0.030   0.037     0.388  100.000  100.000
LGA    V    95_B      V    95_B     0.240     0    0.052   0.178     0.462  100.000  100.000
LGA    Y    96_B      Y    96_B     0.217     0    0.014   0.066     0.339  100.000  100.000
LGA    S    97_B      S    97_B     0.361     0    0.065   0.673     2.346  100.000   92.540
LGA    C    98_B      C    98_B     0.209     0    0.046   0.093     0.444  100.000  100.000
LGA    A    99_B      A    99_B     0.373     0    0.052   0.054     0.431  100.000  100.000
LGA    A   100_B      A   100_B     0.280     0    0.054   0.061     0.370  100.000  100.000
LGA    T   101_B      T   101_B     0.146     0    0.273   1.267     3.474   95.238   84.830
LGA    L   102_B      L   102_B     2.569     0    0.624   1.180     4.021   54.286   58.929
LGA    P   103_B      P   103_B     5.512     0    0.063   0.137     8.588   33.333   22.041
LGA    A   104_B      A   104_B     4.009     0    0.562   0.514     6.405   33.690   30.381
LGA    W   105_B      W   105_B     5.700     0    0.686   0.850    15.303   25.476    8.776
LGA    T   106_B      T   106_B     7.268     0    0.462   1.123     9.107   17.500   12.313
LGA    G   107_B      G   107_B     4.069     0    0.039   0.039     5.340   39.167   39.167
LGA    I   108_B      I   108_B     2.522     0    0.663   0.800     6.264   55.357   47.143
LGA    I   109_B      I   109_B     6.049     0    0.248   0.241    11.150   21.667   12.143
LGA    G   110_B      G   110_B     4.724     0    0.400   0.400     4.724   40.833   40.833
LGA    G   111_B      G   111_B     0.579     0    0.396   0.396     1.384   90.595   90.595
LGA    R   112_B      R   112_B     0.283     0    0.155   0.742     5.416   95.357   61.342
LGA    R   113_B      R   113_B     0.360     0    0.060   1.352     6.165  100.000   78.009
LGA    P   114_B      P   114_B     0.841     0    0.072   0.140     1.245   90.476   87.891
LGA    G   115_B      G   115_B     1.284     0    0.097   0.097     1.284   81.429   81.429
LGA    N   116_B      N   116_B     0.879     0    0.170   0.309     2.185   95.238   84.107
LGA    Y   117_B      Y   117_B     0.197     0    0.042   0.148     1.070  100.000   95.278
LGA    P   118_B      P   118_B     0.933     0    0.025   0.175     1.350   90.476   87.891
LGA    Y   119_B      Y   119_B     0.108     0    0.090   0.304     2.171  100.000   87.063
LGA    W   120_B      W   120_B     0.140     0    0.034   1.170     4.157   97.619   77.789
LGA    G   121_B      G   121_B     0.322     0    0.038   0.038     0.322  100.000  100.000
LGA    Q   122_B      Q   122_B     0.641     0    0.701   1.172     4.687   78.810   69.524
LGA    G   123_B      G   123_B     0.217     0    0.151   0.151     0.557   95.238   95.238
LGA    T   124_B      T   124_B     0.236     0    0.052   1.157     2.459  100.000   89.932
LGA    Q   125_B      Q   125_B     0.193     0    0.020   0.143     0.387  100.000  100.000
LGA    V   126_B      V   126_B     0.376     0    0.042   0.168     0.839  100.000   98.639
LGA    T   127_B      T   127_B     0.400     0    0.078   0.099     0.697   97.619   97.279
LGA    V   128_B      V   128_B     0.448     0    0.092   0.106     0.687   97.619   95.918
LGA    S   129_B      S   129_B     0.630     0    0.166   0.209     1.325   85.952   87.540

# 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):     1.603          1.569                  2.635           87.686   81.882

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  125    4.0    121    1.20    91.800    95.161     9.299

LGA_LOCAL      RMSD:   1.201  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.617  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.603  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.913609 * X  +   0.086212 * Y  +   0.397348 * Z  + 103.703812
  Y_new =  -0.045976 * X  +   0.992899 * Y  +  -0.109718 * Z  + -30.567986
  Z_new =  -0.403986 * X  +   0.081971 * Y  +   0.911085 * Z  + -46.338875 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.050281  0.415870  0.089729   [DEG:   -2.8809   23.8276    5.1411 ]
ZXZ:  1.301383  0.424887 -1.370608   [DEG:   74.5638   24.3442  -78.5300 ]
 
# END of job
