
#######################################################
#                                                     #
#                        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  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , 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:   128       1_B - 128_B       1.46     1.46
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.46     1.46
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      30_B - 102_B       0.98     1.50
  LCS_AVERAGE:     40.24

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     Q     1_B     Q     1_B     24  128  128      3    8   16   27   56   77  117  123  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     27  128  128      8   43  105  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     27  128  128     61   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     27  128  128     63   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     27  128  128     25   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     27  128  128     61   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     27  128  128     61   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     27  128  128     35   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     27  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     27  128  128     41   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     27  128  128     49   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     27  128  128     63   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     27  128  128     50   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     27  128  128     17   93  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     27  128  128      8   74  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     27  128  128      4    5   14   26   86  118  123  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      5  128  128      3    5    5    7    8   28   39   80  123  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B     73  128  128      3   34   90  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     73  128  128      3    3    4  104  116  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     73  128  128      3   26   78  108  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     73  128  128     57   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     73  128  128     24   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     73  128  128     61   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     73  128  128     65   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     73  128  128      6   82  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     73  128  128     10   82  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     73  128  128     57   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     73  128  128     64   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     73  128  128     61   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     73  128  128      3   17   63  108  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     73  128  128      3   90  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     73  128  128     46   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     73  128  128     20   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     73  128  128     30   95  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     73  128  128     61   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     73  128  128     65   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     73  128  128     54   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     73  128  128     60   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     73  128  128     61   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     73  128  128     56   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     73  128  128     65   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     73  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     73  128  128     48   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     73  128  128      9   67  105  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     73  128  128      6   80  107  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B     50  128  128      3    9   19   47   65  114  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      9  128  128      3    9   70  105  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      9  128  128      3    9   21   61  117  122  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      9  128  128      4   11   83  106  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      9  128  128      4   10   60  106  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B     20  128  128      4   11   89  108  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20  128  128     10   42  107  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20  128  128      4   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20  128  128     35   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20  128  128     18   94  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20  128  128      6   39  106  114  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20  128  128     45   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20  128  128     43   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20  128  128     61   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20  128  128     58   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20  128  128     41   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20  128  128     65   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20  128  128     66   97  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20  128  128     11   92  108  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128      9   64  100  115  117  123  125  125  126  127  128  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  80.08  (  40.24  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     66     97    108    115    117    123    125    125    126    127    128    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  51.56  75.78  84.38  89.84  91.41  96.09  97.66  97.66  98.44  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.49   0.64   0.83   0.90   1.11   1.24   1.21   1.29   1.37   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46
GDT RMS_ALL_AT   1.57   1.55   1.52   1.50   1.49   1.48   1.47   1.47   1.47   1.47   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46   1.46

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   107_B      E   107_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     5.435     0    0.113   0.665     8.330   32.024   19.735
LGA    V     2_B      V     2_B     2.209     0    0.097   0.119     3.583   61.190   57.483
LGA    Q     3_B      Q     3_B     0.857     0    0.076   0.516     3.962   95.238   72.857
LGA    L     4_B      L     4_B     0.306     0    0.086   0.170     1.228  100.000   95.298
LGA    V     5_B      V     5_B     0.378     0    0.163   0.201     1.131   92.976   93.265
LGA    E     6_B      E     6_B     0.142     0    0.035   0.688     2.380  100.000   91.005
LGA    S     7_B      S     7_B     0.179     0    0.037   0.729     2.112  100.000   94.127
LGA    G     8_B      G     8_B     0.253     0    0.029   0.029     0.288  100.000  100.000
LGA    G     9_B      G     9_B     0.086     0    0.097   0.097     0.305  100.000  100.000
LGA    G    10_B      G    10_B     0.988     0    0.060   0.060     0.988   92.857   92.857
LGA    S    11_B      S    11_B     0.463     0    0.206   0.761     2.036   86.429   84.841
LGA    V    12_B      V    12_B     0.636     0    0.111   0.255     1.248   92.857   90.544
LGA    Q    13_B      Q    13_B     0.972     0    0.053   0.891     5.021   90.476   71.376
LGA    A    14_B      A    14_B     0.915     0    0.060   0.069     0.951   90.476   90.476
LGA    G    15_B      G    15_B     0.362     0    0.047   0.047     0.610   97.619   97.619
LGA    G    16_B      G    16_B     0.439     0    0.049   0.049     0.439  100.000  100.000
LGA    S    17_B      S    17_B     0.306     0    0.075   0.130     0.461  100.000  100.000
LGA    L    18_B      L    18_B     0.158     0    0.035   1.334     2.787  100.000   85.893
LGA    R    19_B      R    19_B     0.209     0    0.017   0.181     0.597  100.000   96.537
LGA    L    20_B      L    20_B     0.285     0    0.029   0.109     0.483  100.000  100.000
LGA    S    21_B      S    21_B     0.608     0    0.027   0.098     0.702   92.857   92.063
LGA    C    22_B      C    22_B     1.050     0    0.068   0.102     1.639   83.690   81.508
LGA    A    23_B      A    23_B     0.887     0    0.096   0.111     0.951   90.476   90.476
LGA    A    24_B      A    24_B     0.166     0    0.029   0.035     0.552  100.000   98.095
LGA    S    25_B      S    25_B     0.671     0    0.104   0.729     1.260   90.595   87.540
LGA    G    26_B      G    26_B     1.099     0    0.550   0.550     4.145   68.452   68.452
LGA    Y    27_B      Y    27_B     1.831     0    0.625   1.038     9.332   59.881   43.492
LGA    T    28_B      T    28_B     4.128     0    0.727   1.053     7.994   37.976   28.844
LGA    Y    29_B      Y    29_B     6.035     0    0.601   0.644    14.031   24.048    8.651
LGA    S    30_B      S    30_B     2.792     0    0.603   0.706     4.140   48.690   55.397
LGA    M    31_B      M    31_B     2.801     0    0.666   1.056     8.619   65.357   39.881
LGA    Y    32_B      Y    32_B     2.641     0    0.551   1.373    14.152   67.143   26.190
LGA    C    33_B      C    33_B     0.273     0    0.092   0.957     2.388   95.238   89.365
LGA    M    34_B      M    34_B     0.898     0    0.033   0.927     4.710   85.952   78.571
LGA    G    35_B      G    35_B     1.298     0    0.081   0.081     1.450   81.429   81.429
LGA    W    36_B      W    36_B     0.856     0    0.038   0.061     0.985   90.476   90.476
LGA    F    37_B      F    37_B     0.716     0    0.038   0.264     0.814   90.476   91.342
LGA    R    38_B      R    38_B     0.493     0    0.044   0.096     0.669   92.857   94.805
LGA    Q    39_B      Q    39_B     0.639     0    0.018   0.098     1.009   90.476   89.471
LGA    A    40_B      A    40_B     0.972     0    0.038   0.046     1.129   92.857   90.571
LGA    P    41_B      P    41_B     0.603     0    0.028   0.172     0.932   92.857   91.837
LGA    G    42_B      G    42_B     1.592     0    0.322   0.322     1.592   81.548   81.548
LGA    K    43_B      K    43_B     1.454     0    0.093   0.901     2.248   79.286   76.825
LGA    E    44_B      E    44_B     0.452     0    0.022   0.734     2.768   95.238   81.429
LGA    R    45_B      R    45_B     0.463     0    0.031   0.952     3.638   95.238   82.597
LGA    E    46_B      E    46_B     1.047     0    0.050   0.627     2.320   85.952   77.831
LGA    G    47_B      G    47_B     1.045     0    0.050   0.050     1.171   85.952   85.952
LGA    V    48_B      V    48_B     0.473     0    0.029   0.115     0.798   97.619   98.639
LGA    A    49_B      A    49_B     0.697     0    0.055   0.061     0.786   90.476   90.476
LGA    G    50_B      G    50_B     0.622     0    0.044   0.044     0.733   90.476   90.476
LGA    I    51_B      I    51_B     0.640     0    0.078   0.096     1.124   88.214   88.214
LGA    C    52_B      C    52_B     0.221     0    0.052   0.729     4.788   84.643   73.810
LGA    A    53_B      A    53_B     2.874     0    0.492   0.461     4.427   60.119   55.524
LGA    N    54_B      N    54_B     1.614     0    0.346   0.646     4.814   81.548   64.345
LGA    G    55_B      G    55_B     0.762     0    0.066   0.066     1.043   88.214   88.214
LGA    K    56_B      K    56_B     0.914     0    0.064   0.953     5.225   86.190   66.825
LGA    A    57_B      A    57_B     1.164     0    0.162   0.191     1.512   88.214   85.143
LGA    I    58_B      I    58_B     0.447     0    0.073   1.316     2.922   97.619   82.500
LGA    H    59_B      H    59_B     0.235     0    0.039   1.399     6.972  100.000   66.810
LGA    Y    60_B      Y    60_B     0.230     0    0.027   0.150     0.555  100.000   98.413
LGA    V    61_B      V    61_B     0.424     0    0.043   1.287     2.791  100.000   87.483
LGA    D    62_B      D    62_B     0.367     0    0.032   1.060     3.789  100.000   81.429
LGA    S    63_B      S    63_B     0.327     0    0.186   0.175     1.280   92.976   93.730
LGA    V    64_B      V    64_B     0.217     0    0.095   0.212     0.913   97.619   95.918
LGA    K    65_B      K    65_B     0.356     0    0.047   1.171     3.768  100.000   87.566
LGA    G    66_B      G    66_B     0.630     0    0.098   0.098     1.174   90.595   90.595
LGA    R    67_B      R    67_B     0.545     0    0.050   1.001     2.844   90.476   86.753
LGA    F    68_B      F    68_B     0.419     0    0.022   0.333     1.188  100.000   92.294
LGA    T    69_B      T    69_B     0.342     0    0.053   1.007     2.405  100.000   89.932
LGA    I    70_B      I    70_B     0.204     0    0.013   0.660     1.856   97.619   95.417
LGA    S    71_B      S    71_B     0.470     0    0.034   0.083     0.590   97.619   95.238
LGA    Q    72_B      Q    72_B     0.903     0    0.030   0.431     2.224   88.214   80.688
LGA    D    73_B      D    73_B     0.938     0    0.046   0.112     1.059   90.476   85.952
LGA    N    74_B      N    74_B     1.055     0    0.034   1.015     2.711   83.690   78.452
LGA    A    75_B      A    75_B     1.110     0    0.035   0.042     1.128   83.690   83.238
LGA    K    76_B      K    76_B     0.533     0    0.044   0.914     3.120   90.476   83.016
LGA    N    77_B      N    77_B     0.749     0    0.060   0.420     2.316   90.476   82.798
LGA    T    78_B      T    78_B     0.614     0    0.023   1.064     2.237   95.238   87.007
LGA    V    79_B      V    79_B     0.361     0    0.039   0.997     2.417  100.000   89.932
LGA    Y    80_B      Y    80_B     0.390     0    0.020   0.065     0.773  100.000   96.825
LGA    L    81_B      L    81_B     0.573     0    0.087   0.096     0.587   90.476   94.048
LGA    Q    82_B      Q    82_B     0.582     0    0.070   0.153     1.154   95.238   92.646
LGA    M    83_B      M    83_B     0.252     0    0.093   0.707     2.981  100.000   94.643
LGA    N    84_B      N    84_B     0.182     0    0.054   0.811     2.428  100.000   92.083
LGA    S    85_B      S    85_B     0.287     0    0.074   0.697     2.062  100.000   94.127
LGA    L    86_B      L    86_B     0.222     0    0.098   0.321     1.029  100.000   97.679
LGA    K    87_B      K    87_B     0.694     0    0.061   0.076     0.767   90.476   90.476
LGA    P    88_B      P    88_B     0.810     0    0.094   0.100     0.937   90.476   90.476
LGA    E    89_B      E    89_B     0.520     0    0.062   0.906     3.930   92.857   80.794
LGA    D    90_B      D    90_B     0.433     0    0.042   0.139     0.652  100.000   95.238
LGA    T    91_B      T    91_B     0.418     0    0.018   0.100     0.595  100.000   98.639
LGA    A    92_B      A    92_B     0.457     0    0.055   0.054     0.621   95.238   94.286
LGA    M    93_B      M    93_B     0.530     0    0.078   1.279     4.805   95.238   74.881
LGA    Y    94_B      Y    94_B     0.436     0    0.036   0.123     0.518   97.619   98.413
LGA    Y    95_B      Y    95_B     0.496     0    0.054   0.140     0.997   92.857   92.063
LGA    C    96_B      C    96_B     0.815     0    0.040   0.703     2.122   92.857   86.270
LGA    A    97_B      A    97_B     0.528     0    0.032   0.061     1.265   88.214   88.667
LGA    A    98_B      A    98_B     0.541     0    0.028   0.040     0.604   95.238   94.286
LGA    D    99_B      D    99_B     0.769     0    0.118   0.235     1.144   90.476   89.345
LGA    S   100_B      S   100_B     1.345     0    0.489   0.444     2.530   73.214   73.095
LGA    R   101_B      R   101_B     2.374     0    0.211   1.226     8.338   64.881   37.056
LGA    G   102_B      G   102_B     1.802     0    0.111   0.111     4.450   56.190   56.190
LGA    G   103_B      G   103_B     5.232     0    0.597   0.597     5.232   34.762   34.762
LGA    I   104_B      I   104_B     3.502     0    0.083   1.161     4.525   41.786   52.381
LGA    W   105_B      W   105_B     3.795     0    0.164   1.324     5.298   41.786   50.816
LGA    Y   106_B      Y   106_B     3.144     0    0.582   0.801     4.568   50.119   49.405
LGA    E   107_B      E   107_B     3.077     0    0.116   0.641     6.834   53.571   34.974
LGA    Q   108_B      Q   108_B     2.473     0    0.118   0.828     6.045   69.048   51.905
LGA    Q   109_B      Q   109_B     1.605     0    0.085   1.322     3.702   75.000   71.481
LGA    L   110_B      L   110_B     1.266     0    0.245   1.098     5.371   88.214   67.083
LGA    S   111_B      S   111_B     0.717     0    0.101   0.711     1.840   92.857   89.127
LGA    T   112_B      T   112_B     0.255     0    0.032   1.239     2.601   95.238   84.762
LGA    L   113_B      L   113_B     1.540     0    0.036   1.400     3.864   75.238   70.357
LGA    R   114_B      R   114_B     2.025     0    0.053   1.317     9.159   70.833   43.377
LGA    Y   115_B      Y   115_B     0.901     0    0.016   0.158     1.259   88.214   84.444
LGA    N   116_B      N   116_B     0.621     0    0.129   0.354     2.463   95.238   83.095
LGA    Y   117_B      Y   117_B     0.643     0    0.020   0.953     6.495   97.619   65.238
LGA    W   118_B      W   118_B     0.247     0    0.100   0.114     0.825   97.619   92.517
LGA    G   119_B      G   119_B     0.473     0    0.035   0.035     0.473  100.000  100.000
LGA    Q   120_B      Q   120_B     0.723     0    0.162   1.290     7.244   92.857   62.116
LGA    G   121_B      G   121_B     0.831     0    0.340   0.340     2.622   79.881   79.881
LGA    T   122_B      T   122_B     0.293     0    0.072   0.109     0.527   97.619   97.279
LGA    Q   123_B      Q   123_B     0.057     0    0.017   1.046     2.305  100.000   91.111
LGA    V   124_B      V   124_B     0.115     0    0.049   0.156     0.446  100.000  100.000
LGA    T   125_B      T   125_B     0.076     0    0.011   0.633     1.523   97.619   92.109
LGA    V   126_B      V   126_B     0.488     0    0.014   0.104     0.969   95.238   95.918
LGA    S   127_B      S   127_B     1.512     0    0.101   0.675     2.590   81.548   76.032
LGA    S   128_B      S   128_B     2.308     0    0.064   0.579     2.724   66.786   63.571

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     1.465          1.483                  2.498           86.874   80.792

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    125    1.21    90.820    95.038     9.535

LGA_LOCAL      RMSD:   1.211  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.470  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.465  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.545134 * X  +   0.828284 * Y  +   0.129520 * Z  +  42.163692
  Y_new =   0.670260 * X  +  -0.523401 * Y  +   0.526121 * Z  +   5.958373
  Z_new =   0.503568 * X  +  -0.199995 * Y  +  -0.840489 * Z  + -22.195253 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.887988 -0.527724 -2.907987   [DEG:   50.8779  -30.2363 -166.6154 ]
ZXZ:  2.900214  2.568981  1.948848   [DEG:  166.1700  147.1918  111.6608 ]
 
# END of job
