
#######################################################
#                                                     #
#                        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       1.61     1.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.61     1.61
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      31_B - 102_B       0.98     1.67
  LCS_AVERAGE:     39.04

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     27  128  128      8   60  105  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     27  128  128     26   91  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     27  128  128     56   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     27  128  128     53   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     27  128  128     13   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     27  128  128     62   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     27  128  128     57   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     27  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     27  128  128     56   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     27  128  128     18   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     27  128  128     64   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     27  128  128     44   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     27  128  128      7   90  105  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     27  128  128      4   22  102  112  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B      5  128  128      4    6    6   10   31   88  120  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      5  128  128      3    6    6    6    8   11   12   27   58   97  125  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B      3  128  128      0    7   14   40   79  115  121  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     72  128  128      1    3   23   89  108  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     72  128  128      6   66  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     72  128  128     64   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     72  128  128     24   93  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     72  128  128     56   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     72  128  128     37   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     72  128  128     29   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     72  128  128     40   93  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     72  128  128     16   88  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     72  128  128     10   47   74  112  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     72  128  128     10   53  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     72  128  128     23   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     72  128  128     23   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     72  128  128     53   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     72  128  128      3   16   68  113  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     72  128  128      4   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     72  128  128     53   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     72  128  128      4   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     72  128  128     15   94  105  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     72  128  128     53   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     72  128  128     47   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     72  128  128     63   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     72  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     72  128  128     13   59  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     72  128  128      5   52  103  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     72  128  128      3   28   72  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B     10  128  128      3    5   12   19   33   65  105  122  125  125  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B     10  128  128      0    4   18   70  109  121  122  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B     10  128  128      3    8   35   76  111  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B     10  128  128      4   22   61  107  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B     10  128  128      4    8   74  111  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B     20  128  128      4   18   91  113  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20  128  128     13   76  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20  128  128      3   61  104  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20  128  128      6   87  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20  128  128     32   91  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20  128  128      5   41  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20  128  128     35   93  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20  128  128     31   91  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20  128  128     63   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20  128  128     41   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20  128  128     65   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20  128  128     57   94  106  114  118  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128      6   35   70  108  114  121  123  124  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  79.68  (  39.04  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     65     94    106    114    118    121    123    124    125    126    127    127    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  50.78  73.44  82.81  89.06  92.19  94.53  96.09  96.88  97.66  98.44  99.22  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.51   0.70   0.85   0.98   1.11   1.18   1.25   1.31   1.38   1.48   1.48   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61
GDT RMS_ALL_AT   1.77   1.71   1.67   1.65   1.63   1.62   1.62   1.62   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61   1.61

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   107_B      E   107_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.608     0    0.164   1.079     3.819   75.119   73.492
LGA    V     2_B      V     2_B     0.846     0    0.030   1.090     3.053   88.214   80.884
LGA    Q     3_B      Q     3_B     0.464     0    0.052   0.669     2.453   95.238   90.794
LGA    L     4_B      L     4_B     0.637     0    0.074   0.174     0.920   90.476   90.476
LGA    V     5_B      V     5_B     0.731     0    0.162   0.206     1.364   88.214   87.891
LGA    E     6_B      E     6_B     0.472     0    0.062   0.742     2.603  100.000   90.000
LGA    S     7_B      S     7_B     0.624     0    0.049   0.596     1.329   90.476   88.968
LGA    G     8_B      G     8_B     0.849     0    0.741   0.741     3.865   74.286   74.286
LGA    G     9_B      G     9_B     0.322     0    0.064   0.064     0.616   97.619   97.619
LGA    G    10_B      G    10_B     1.014     0    0.075   0.075     1.014   90.595   90.595
LGA    S    11_B      S    11_B     0.490     0    0.182   0.564     2.585   88.452   85.159
LGA    V    12_B      V    12_B     0.603     0    0.083   1.060     2.737   92.857   84.558
LGA    Q    13_B      Q    13_B     0.943     0    0.054   0.991     3.458   90.476   80.159
LGA    A    14_B      A    14_B     0.924     0    0.053   0.070     0.924   90.476   90.476
LGA    G    15_B      G    15_B     0.438     0    0.057   0.057     0.663   97.619   97.619
LGA    G    16_B      G    16_B     0.359     0    0.043   0.043     0.376  100.000  100.000
LGA    S    17_B      S    17_B     0.230     0    0.059   0.118     0.468  100.000  100.000
LGA    L    18_B      L    18_B     0.242     0    0.044   0.073     0.626  100.000   97.619
LGA    R    19_B      R    19_B     0.427     0    0.057   1.063     4.223  100.000   80.736
LGA    L    20_B      L    20_B     0.470     0    0.023   0.905     2.232   95.238   88.810
LGA    S    21_B      S    21_B     0.730     0    0.023   0.112     0.977   90.476   90.476
LGA    C    22_B      C    22_B     1.227     0    0.063   0.102     1.886   83.690   81.508
LGA    A    23_B      A    23_B     1.292     0    0.087   0.103     1.487   85.952   85.048
LGA    A    24_B      A    24_B     0.561     0    0.040   0.048     0.969   95.238   94.286
LGA    S    25_B      S    25_B     0.490     0    0.086   0.591     1.768   95.238   90.714
LGA    G    26_B      G    26_B     1.622     0    0.078   0.078     2.613   71.071   71.071
LGA    Y    27_B      Y    27_B     2.605     0    0.638   0.929     6.237   46.071   59.444
LGA    T    28_B      T    28_B     5.205     0    0.583   1.049     8.992   26.071   19.660
LGA    Y    29_B      Y    29_B     7.292     0    0.694   0.507    14.556   15.357    5.278
LGA    S    30_B      S    30_B     4.674     0    0.624   0.711     5.580   30.595   32.778
LGA    M    31_B      M    31_B     3.206     0    0.649   1.068    10.412   61.190   37.083
LGA    Y    32_B      Y    32_B     1.651     0    0.551   1.500    12.892   75.119   32.659
LGA    C    33_B      C    33_B     0.475     0    0.050   0.637     1.414   92.976   89.127
LGA    M    34_B      M    34_B     0.947     0    0.058   0.934     4.163   83.810   75.000
LGA    G    35_B      G    35_B     1.422     0    0.081   0.081     1.603   79.286   79.286
LGA    W    36_B      W    36_B     1.071     0    0.037   0.106     1.300   83.690   82.075
LGA    F    37_B      F    37_B     0.890     0    0.021   0.185     1.689   90.476   83.160
LGA    R    38_B      R    38_B     0.513     0    0.039   0.983     2.592   92.857   85.931
LGA    Q    39_B      Q    39_B     0.604     0    0.048   0.162     1.246   92.857   88.519
LGA    A    40_B      A    40_B     1.034     0    0.066   0.103     1.210   83.690   83.238
LGA    P    41_B      P    41_B     0.905     0    0.023   0.139     1.088   88.214   89.184
LGA    G    42_B      G    42_B     1.333     0    0.275   0.275     3.204   71.429   71.429
LGA    K    43_B      K    43_B     1.713     0    0.089   0.940     5.486   75.000   65.079
LGA    E    44_B      E    44_B     2.618     0    0.038   0.573     3.981   64.881   54.392
LGA    R    45_B      R    45_B     2.019     0    0.094   0.376     3.727   62.857   58.052
LGA    E    46_B      E    46_B     1.453     0    0.105   0.788     2.278   81.548   78.677
LGA    G    47_B      G    47_B     1.418     0    0.068   0.068     1.613   79.286   79.286
LGA    V    48_B      V    48_B     0.518     0    0.023   0.100     0.844   90.476   94.558
LGA    A    49_B      A    49_B     0.844     0    0.062   0.069     0.929   90.476   90.476
LGA    G    50_B      G    50_B     0.733     0    0.041   0.041     0.857   90.476   90.476
LGA    I    51_B      I    51_B     0.655     0    0.073   1.218     3.956   88.214   75.179
LGA    C    52_B      C    52_B     0.432     0    0.114   0.691     4.951   84.643   73.810
LGA    A    53_B      A    53_B     2.594     0    0.513   0.481     3.971   61.667   58.000
LGA    N    54_B      N    54_B     1.178     0    0.422   0.987     5.220   88.333   65.595
LGA    G    55_B      G    55_B     0.320     0    0.094   0.094     0.963   92.857   92.857
LGA    K    56_B      K    56_B     1.289     0    0.114   1.459     7.964   75.119   55.238
LGA    A    57_B      A    57_B     1.685     0    0.171   0.209     2.255   79.286   76.381
LGA    I    58_B      I    58_B     0.812     0    0.067   1.403     4.859   88.214   73.571
LGA    H    59_B      H    59_B     0.637     0    0.040   0.389     1.797   90.476   86.048
LGA    Y    60_B      Y    60_B     0.543     0    0.021   0.172     0.805   90.476   92.857
LGA    V    61_B      V    61_B     0.557     0    0.046   0.091     1.096   92.857   90.544
LGA    D    62_B      D    62_B     0.360     0    0.037   0.098     0.493  100.000  100.000
LGA    S    63_B      S    63_B     0.497     0    0.158   0.619     2.023   92.976   89.444
LGA    V    64_B      V    64_B     0.307     0    0.091   0.164     0.972   97.619   95.918
LGA    K    65_B      K    65_B     0.330     0    0.040   0.183     1.081  100.000   95.820
LGA    G    66_B      G    66_B     0.292     0    0.087   0.087     0.579   97.619   97.619
LGA    R    67_B      R    67_B     0.365     0    0.054   0.221     0.597   97.619   97.403
LGA    F    68_B      F    68_B     0.347     0    0.021   0.315     1.110  100.000   96.623
LGA    T    69_B      T    69_B     0.321     0    0.049   0.086     0.533   97.619   98.639
LGA    I    70_B      I    70_B     0.327     0    0.034   0.158     0.517   97.619   98.810
LGA    S    71_B      S    71_B     0.329     0    0.026   0.155     0.685  100.000   98.413
LGA    Q    72_B      Q    72_B     0.663     0    0.027   1.264     5.641   90.476   70.212
LGA    D    73_B      D    73_B     0.664     0    0.052   0.113     1.193   92.857   90.536
LGA    N    74_B      N    74_B     0.734     0    0.054   1.127     3.119   90.476   83.214
LGA    A    75_B      A    75_B     0.789     0    0.026   0.036     0.803   90.476   90.476
LGA    K    76_B      K    76_B     0.847     0    0.033   0.512     2.150   90.476   83.598
LGA    N    77_B      N    77_B     0.154     0    0.064   0.425     1.293  100.000   96.488
LGA    T    78_B      T    78_B     0.545     0    0.035   0.120     1.223   97.619   93.265
LGA    V    79_B      V    79_B     0.548     0    0.030   0.959     2.544   90.476   83.401
LGA    Y    80_B      Y    80_B     0.481     0    0.035   0.117     1.235  100.000   94.524
LGA    L    81_B      L    81_B     0.627     0    0.058   0.069     0.695   90.476   91.667
LGA    Q    82_B      Q    82_B     0.628     0    0.059   0.217     1.231   95.238   91.587
LGA    M    83_B      M    83_B     0.224     0    0.106   0.159     1.207  100.000   92.976
LGA    N    84_B      N    84_B     0.187     0    0.069   0.893     2.108  100.000   92.202
LGA    S    85_B      S    85_B     0.216     0    0.044   0.067     0.281  100.000  100.000
LGA    L    86_B      L    86_B     0.235     0    0.065   0.273     0.834  100.000   98.810
LGA    K    87_B      K    87_B     0.425     0    0.036   0.201     1.563  100.000   92.804
LGA    P    88_B      P    88_B     0.619     0    0.052   0.398     1.178   92.857   90.544
LGA    E    89_B      E    89_B     0.464     0    0.046   1.000     3.758   97.619   78.413
LGA    D    90_B      D    90_B     0.364     0    0.045   0.150     0.578  100.000   98.810
LGA    T    91_B      T    91_B     0.262     0    0.025   0.073     0.785  100.000   97.279
LGA    A    92_B      A    92_B     0.269     0    0.053   0.055     0.474  100.000  100.000
LGA    M    93_B      M    93_B     0.412     0    0.055   0.994     5.181   97.619   82.143
LGA    Y    94_B      Y    94_B     0.622     0    0.025   0.258     0.917   90.476   92.857
LGA    Y    95_B      Y    95_B     0.775     0    0.034   0.138     1.070   90.476   89.762
LGA    C    96_B      C    96_B     0.863     0    0.027   0.150     0.967   90.476   90.476
LGA    A    97_B      A    97_B     0.592     0    0.053   0.088     1.537   86.071   86.952
LGA    A    98_B      A    98_B     0.684     0    0.065   0.067     0.981   95.238   94.286
LGA    D    99_B      D    99_B     0.791     0    0.111   0.742     2.120   90.476   85.000
LGA    S   100_B      S   100_B     1.830     0    0.147   0.617     3.243   72.976   67.778
LGA    R   101_B      R   101_B     2.103     0    0.598   1.685     7.434   61.429   49.827
LGA    G   102_B      G   102_B     2.431     0    0.086   0.086     5.686   45.119   45.119
LGA    G   103_B      G   103_B     6.191     0    0.604   0.604     6.191   26.667   26.667
LGA    I   104_B      I   104_B     4.617     0    0.202   1.140     5.851   27.619   37.619
LGA    W   105_B      W   105_B     3.926     0    0.226   0.877     4.554   40.357   44.048
LGA    Y   106_B      Y   106_B     3.461     0    0.601   0.624     8.638   45.119   30.754
LGA    E   107_B      E   107_B     3.020     0    0.090   0.742     7.074   53.571   35.926
LGA    Q   108_B      Q   108_B     2.578     0    0.132   1.193     4.287   67.143   60.476
LGA    Q   109_B      Q   109_B     1.303     0    0.096   1.102     6.710   77.143   56.931
LGA    L   110_B      L   110_B     1.911     0    0.247   0.964     6.900   77.262   53.095
LGA    S   111_B      S   111_B     1.284     0    0.055   0.717     2.084   85.952   81.667
LGA    T   112_B      T   112_B     0.210     0    0.057   0.164     1.059   97.619   95.986
LGA    L   113_B      L   113_B     1.276     0    0.037   0.178     1.873   79.405   77.202
LGA    R   114_B      R   114_B     1.830     0    0.017   1.349     7.590   72.857   53.680
LGA    Y   115_B      Y   115_B     0.730     0    0.030   0.144     1.635   88.214   83.730
LGA    N   116_B      N   116_B     0.811     0    0.073   0.376     2.261   90.476   81.726
LGA    Y   117_B      Y   117_B     0.345     0    0.018   1.411    10.112   97.619   55.595
LGA    W   118_B      W   118_B     0.225     0    0.120   0.133     0.949   97.619   98.639
LGA    G   119_B      G   119_B     0.485     0    0.036   0.036     0.485  100.000  100.000
LGA    Q   120_B      Q   120_B     0.659     0    0.129   1.312     7.204   92.857   63.069
LGA    G   121_B      G   121_B     0.568     0    0.112   0.112     0.568   92.857   92.857
LGA    T   122_B      T   122_B     0.404     0    0.066   0.982     2.749  100.000   88.639
LGA    Q   123_B      Q   123_B     0.318     0    0.019   0.911     2.257  100.000   93.069
LGA    V   124_B      V   124_B     0.220     0    0.042   0.120     0.479  100.000  100.000
LGA    T   125_B      T   125_B     0.274     0    0.013   0.673     1.520   97.619   92.109
LGA    V   126_B      V   126_B     0.629     0    0.031   0.074     0.941   92.857   91.837
LGA    S   127_B      S   127_B     0.961     0    0.091   0.670     2.100   79.643   80.238
LGA    S   128_B      S   128_B     2.991     0    0.503   0.781     3.094   62.976   61.111

# 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):     1.608          1.648                  2.524           85.248   80.067

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    124    1.25    89.844    94.377     9.178

LGA_LOCAL      RMSD:   1.251  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.617  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.608  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.351701 * X  +   0.398048 * Y  +  -0.847269 * Z  +   1.885000
  Y_new =  -0.364020 * X  +   0.892012 * Y  +   0.267963 * Z  +  13.266285
  Z_new =   0.862436 * X  +   0.214180 * Y  +   0.458619 * Z  +  30.961863 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.802608 -1.040062  0.436909   [DEG:  -45.9861  -59.5912   25.0330 ]
ZXZ: -1.877110  1.094355  1.327378   [DEG: -107.5505   62.7020   76.0531 ]
 
# END of job
