
#######################################################
#                                                     #
#                        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  147 ( 1260),  selected  127 , name one
# Molecule2: number of CA atoms  127 ( 1099),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.22     1.22
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   127       2_C - 138_C       1.22     1.22
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      72_C - 133_C       1.00     1.28
  LCS_AVERAGE:     42.41

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     P     2_B     P     2_C     52  127  127      4   20   86  112  122  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     3_B     I     3_C     52  127  127      4   35  100  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     4_B     Q     4_C     52  127  127     17   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     5_B     E     5_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E     6_B     E     6_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I     7_B     I     7_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q     8_B     Q     8_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K     9_B     K     9_C     52  127  127     33   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    10_B     K    10_C     52  127  127     29   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    11_B     V    11_C     52  127  127     28   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    12_B     R    12_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    13_B     E    13_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    14_B     L    14_C     52  127  127     28   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    15_B     L    15_C     52  127  127     28   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    16_B     E    16_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    17_B     K    17_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    18_B     L    18_C     52  127  127     28   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    19_B     I    19_C     52  127  127     10   71  105  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    20_B     E    20_C     52  127  127     18   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y    21_B     Y    21_C     52  127  127     29   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    22_B     L    22_C     52  127  127     28   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    23_B     E    23_C     52  127  127     29   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    24_B     E    24_C     52  127  127     28   76  105  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    25_B     L    25_C     52  127  127     20   71  105  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    26_B     K    26_C     52  127  127      3   63  105  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    27_B     E    27_C     52  127  127      3    5  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    34_B     K    34_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    35_B     E    35_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    36_B     K    36_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    37_B     L    37_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    38_B     E    38_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    39_B     E    39_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    40_B     V    40_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    41_B     I    41_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    42_B     E    42_C     52  127  127     32   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    43_B     G    43_C     52  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    44_B     L    44_C     52  127  127     29   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    45_B     E    45_C     52  127  127     33   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    46_B     R    46_C     52  127  127     12   82  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    47_B     L    47_C     52  127  127      3   75  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    48_B     K    48_C     52  127  127     12   76  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    49_B     E    49_C     52  127  127     17   83  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    50_B     E    50_C     52  127  127     17   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    51_B     V    51_C     52  127  127     19   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    52_B     D    52_C     52  127  127     13   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q    55_B     Q    55_C     52  127  127      3    3   67  108  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    56_B     L    56_C     52  127  127      9   40   76  103  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    57_B     N    57_C     52  127  127      4   40   84  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    58_B     M    58_C     52  127  127      7   27   88  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    59_B     N    59_C     52  127  127      9   68  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    60_B     L    60_C     52  127  127     25   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    61_B     I    61_C     52  127  127     32   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    62_B     V    62_C     52  127  127     18   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    63_B     F    63_C     23  127  127     18   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    64_B     E    64_C     23  127  127     10   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    65_B     G    65_C     23  127  127     18   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    66_B     L    66_C     23  127  127     18   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    67_B     E    67_C     23  127  127     26   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    68_B     V    68_C     23  127  127      9   68  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    69_B     D    69_C     23  127  127      9   30   99  116  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    70_B     E    70_C     23  127  127      3    7   43   79  120  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    71_B     E    71_C     45  127  127      3   33  103  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G    72_B     G    72_C     60  127  127      3   40  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     R    73_B     R    73_C     60  127  127      7   61  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    74_B     V    74_C     60  127  127      7   60  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W    75_B     W    75_C     60  127  127     18   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    76_B     F    76_C     60  127  127     18   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     I    77_B     I    77_C     60  127  127     18   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V    78_B     V    78_C     60  127  127     25   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    79_B     K    79_C     60  127  127     23   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    80_B     E    80_C     60  127  127     18   56  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    81_B     M    81_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    82_B     L    82_C     60  127  127     24   86  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H    83_B     H    83_C     60  127  127     16   81  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    84_B     A    84_C     60  127  127     11   40  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    85_B     T    85_C     60  127  127     12   40   84  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T    86_B     T    86_C     60  127  127     11   62  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    87_B     E    87_C     60  127  127     11   81  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    88_B     E    88_C     60  127  127     26   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    89_B     E    89_C     60  127  127     24   86  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     A    90_B     A    90_C     60  127  127     26   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    91_B     L    91_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    92_B     E    92_C     60  127  127     27   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N    93_B     N    93_C     60  127  127     29   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M    94_B     M    94_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D    95_B     D    95_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K    96_B     K    96_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F    97_B     F    97_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L    98_B     L    98_C     60  127  127     32   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E    99_B     E    99_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   100_B     S   100_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   101_B     W   101_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   102_B     E   102_C     60  127  127     32   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   103_B     K   103_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     V   104_B     V   104_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   105_B     F   105_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     K   106_B     K   106_C     60  127  127     32   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   107_B     E   107_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   108_B     L   108_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   109_B     L   109_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   110_B     E   110_C     60  127  127     26   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   111_B     Y   111_C     60  127  127     26   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   112_B     H   112_C     60  127  127     26   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   113_B     F   113_C     60  127  127     15   75  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   114_B     E   114_C     60  127  127      5   62  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     H   115_B     H   115_C     60  127  127      8   24   95  116  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     N   116_B     N   116_C     60  127  127      4    8   43  114  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     S   119_B     S   119_C     60  127  127     10   50  104  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   120_B     P   120_C     60  127  127     17   85  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     T   121_B     T   121_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   122_B     F   122_C     60  127  127     34   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   123_B     D   123_C     60  127  127     17   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   124_B     F   124_C     60  127  127     27   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   125_B     F   125_C     60  127  127     33   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   126_B     L   126_C     60  127  127     29   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     D   127_B     D   127_C     60  127  127     22   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     F   128_B     F   128_C     60  127  127     22   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   129_B     L   129_C     60  127  127     21   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   130_B     W   130_C     60  127  127     25   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     W   131_B     W   131_C     60  127  127     25   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Q   132_B     Q   132_C     60  127  127     21   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     L   133_B     L   133_C     60  127  127     21   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     Y   134_B     Y   134_C     51  127  127      8   60  102  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     G   135_B     G   135_C     51  127  127      8   40  101  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     E   136_B     E   136_C     51  127  127     10   85  105  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     P   137_B     P   137_C     51  127  127     32   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_GDT     M   138_B     M   138_C     51  127  127     13   87  106  117  125  126  127  127  127  127  127  127  127  127  127  127  127  127  127  127 
LCS_AVERAGE  LCS_A:  80.80  (  42.41  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     34     87    106    117    125    126    127    127    127    127    127    127    127    127    127    127    127    127    127    127 
GDT PERCENT_AT  26.77  68.50  83.46  92.13  98.43  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.38   0.66   0.87   0.98   1.16   1.18   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22
GDT RMS_ALL_AT   1.34   1.27   1.23   1.24   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22   1.22

# Checking swapping
#   possible swapping detected:  E     5_B      E     5_C
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    13_B      E    13_C
#   possible swapping detected:  E    16_B      E    16_C
#   possible swapping detected:  E    20_B      E    20_C
#   possible swapping detected:  Y    21_B      Y    21_C
#   possible swapping detected:  E    23_B      E    23_C
#   possible swapping detected:  E    24_B      E    24_C
#   possible swapping detected:  E    27_B      E    27_C
#   possible swapping detected:  E    38_B      E    38_C
#   possible swapping detected:  E    39_B      E    39_C
#   possible swapping detected:  E    50_B      E    50_C
#   possible swapping detected:  E    64_B      E    64_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  E    71_B      E    71_C
#   possible swapping detected:  F    76_B      F    76_C
#   possible swapping detected:  E    89_B      E    89_C
#   possible swapping detected:  E    92_B      E    92_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E   102_B      E   102_C
#   possible swapping detected:  F   105_B      F   105_C
#   possible swapping detected:  E   107_B      E   107_C
#   possible swapping detected:  E   110_B      E   110_C
#   possible swapping detected:  Y   111_B      Y   111_C
#   possible swapping detected:  F   113_B      F   113_C
#   possible swapping detected:  E   114_B      E   114_C
#   possible swapping detected:  F   125_B      F   125_C
#   possible swapping detected:  F   128_B      F   128_C
#   possible swapping detected:  E   136_B      E   136_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     2.786     0    0.573   0.563     5.213   59.048   47.279
LGA    I     3_B      I     3_C     1.850     0    0.049   0.561     2.975   75.000   68.988
LGA    Q     4_B      Q     4_C     0.768     0    0.050   0.901     3.833   88.214   77.672
LGA    E     5_B      E     5_C     0.760     0    0.011   0.123     0.892   90.476   90.476
LGA    E     6_B      E     6_C     0.836     0    0.034   0.885     3.677   90.476   79.524
LGA    I     7_B      I     7_C     0.773     0    0.028   0.067     0.998   90.476   90.476
LGA    Q     8_B      Q     8_C     0.678     0    0.017   0.751     2.174   90.476   84.656
LGA    K     9_B      K     9_C     0.936     0    0.039   1.400     9.236   90.476   60.952
LGA    K    10_B      K    10_C     0.968     0    0.074   0.834     2.528   90.476   82.751
LGA    V    11_B      V    11_C     0.876     0    0.062   0.079     1.401   90.476   86.599
LGA    R    12_B      R    12_C     0.583     0    0.102   0.540     2.146   90.476   85.758
LGA    E    13_B      E    13_C     0.656     0    0.127   0.280     1.365   88.214   88.466
LGA    L    14_B      L    14_C     0.760     0    0.105   0.094     1.372   90.476   87.083
LGA    L    15_B      L    15_C     0.875     0    0.056   0.092     1.270   90.476   85.952
LGA    E    16_B      E    16_C     0.749     0    0.104   0.284     1.160   90.476   88.466
LGA    K    17_B      K    17_C     0.846     0    0.069   0.189     1.279   85.952   89.524
LGA    L    18_B      L    18_C     1.191     0    0.064   0.101     1.482   83.690   82.560
LGA    I    19_B      I    19_C     1.528     0    0.020   0.691     2.032   77.143   73.988
LGA    E    20_B      E    20_C     1.082     0    0.010   0.883     4.075   81.429   73.810
LGA    Y    21_B      Y    21_C     1.034     0    0.054   0.911     6.787   81.548   56.429
LGA    L    22_B      L    22_C     1.133     0    0.021   0.055     1.304   81.429   84.821
LGA    E    23_B      E    23_C     1.173     0    0.056   0.228     1.666   79.286   83.492
LGA    E    24_B      E    24_C     1.806     0    0.022   1.030     5.948   70.833   55.873
LGA    L    25_B      L    25_C     1.925     0    0.108   0.139     2.450   72.857   70.833
LGA    K    26_B      K    26_C     1.879     0    0.634   0.560     4.208   65.476   56.561
LGA    E    27_B      E    27_C     1.625     0    0.601   1.010     7.092   68.810   47.884
LGA    K    34_B      K    34_C     0.938     0    0.272   0.750     2.045   86.071   82.698
LGA    E    35_B      E    35_C     1.008     0    0.056   1.288     4.926   88.214   68.148
LGA    K    36_B      K    36_C     0.923     0    0.019   1.544    10.243   90.476   56.984
LGA    L    37_B      L    37_C     0.792     0    0.034   0.118     1.114   90.476   88.214
LGA    E    38_B      E    38_C     0.721     0    0.068   0.127     0.867   92.857   91.534
LGA    E    39_B      E    39_C     0.704     0    0.023   0.805     3.177   90.476   78.624
LGA    V    40_B      V    40_C     0.499     0    0.039   0.062     0.923   97.619   94.558
LGA    I    41_B      I    41_C     0.173     0    0.049   0.096     0.311  100.000  100.000
LGA    E    42_B      E    42_C     0.653     0    0.084   0.858     3.041   92.857   77.619
LGA    G    43_B      G    43_C     0.410     0    0.032   0.032     0.493  100.000  100.000
LGA    L    44_B      L    44_C     0.486     0    0.039   1.206     3.847   95.238   79.881
LGA    E    45_B      E    45_C     0.434     0    0.123   0.989     3.652   92.976   79.735
LGA    R    46_B      R    46_C     1.153     0    0.032   1.237     8.883   81.548   52.294
LGA    L    47_B      L    47_C     1.265     0    0.106   1.122     3.124   83.690   75.476
LGA    K    48_B      K    48_C     1.177     0    0.034   0.756     2.465   81.429   77.725
LGA    E    49_B      E    49_C     1.178     0    0.110   0.669     3.530   81.429   66.720
LGA    E    50_B      E    50_C     0.969     0    0.112   0.243     1.313   90.476   85.450
LGA    V    51_B      V    51_C     0.808     0    0.136   0.149     1.125   90.476   86.599
LGA    D    52_B      D    52_C     0.764     0    0.046   0.078     0.948   90.476   90.476
LGA    Q    55_B      Q    55_C     2.684     0    0.131   0.208     5.739   48.690   40.794
LGA    L    56_B      L    56_C     2.709     0    0.093   1.409     7.860   66.905   45.952
LGA    N    57_B      N    57_C     2.248     0    0.023   0.118     2.610   60.952   65.893
LGA    M    58_B      M    58_C     2.157     0    0.183   1.107     4.065   68.810   60.536
LGA    N    59_B      N    59_C     1.458     0    0.111   0.250     1.722   79.286   76.071
LGA    L    60_B      L    60_C     0.557     0    0.046   0.099     0.930   92.857   94.048
LGA    I    61_B      I    61_C     0.443     0    0.052   0.054     0.557  100.000   98.810
LGA    V    62_B      V    62_C     0.796     0    0.009   0.126     1.032   90.476   89.184
LGA    F    63_B      F    63_C     1.005     0    0.048   0.142     1.368   83.690   84.719
LGA    E    64_B      E    64_C     0.977     0    0.034   0.976     4.454   85.952   71.111
LGA    G    65_B      G    65_C     0.873     0    0.029   0.029     0.925   90.476   90.476
LGA    L    66_B      L    66_C     0.775     0    0.054   0.094     0.916   90.476   90.476
LGA    E    67_B      E    67_C     0.480     0    0.012   0.898     2.320   90.595   81.958
LGA    V    68_B      V    68_C     1.384     0    0.048   0.062     2.278   75.119   72.993
LGA    D    69_B      D    69_C     2.208     0    0.078   1.043     5.256   62.976   57.262
LGA    E    70_B      E    70_C     3.613     0    0.031   0.804     7.625   46.667   31.534
LGA    E    71_B      E    71_C     1.791     0    0.709   0.631     3.823   61.429   72.540
LGA    G    72_B      G    72_C     1.744     0    0.114   0.114     1.995   72.857   72.857
LGA    R    73_B      R    73_C     1.299     0    0.048   0.945     3.395   81.429   73.939
LGA    V    74_B      V    74_C     1.302     0    0.130   1.035     3.252   79.286   75.714
LGA    W    75_B      W    75_C     0.912     0    0.112   0.138     1.196   88.214   85.306
LGA    F    76_B      F    76_C     0.847     0    0.055   0.188     1.130   90.476   88.831
LGA    I    77_B      I    77_C     1.020     0    0.100   0.672     3.465   85.952   79.762
LGA    V    78_B      V    78_C     0.702     0    0.067   0.119     0.854   90.476   90.476
LGA    K    79_B      K    79_C     0.660     0    0.084   0.542     2.630   85.952   82.116
LGA    E    80_B      E    80_C     1.319     0    0.077   0.877     6.047   90.595   59.048
LGA    M    81_B      M    81_C     0.412     0    0.011   0.637     4.478   92.857   75.774
LGA    L    82_B      L    82_C     1.117     0    0.189   0.228     1.872   81.548   80.417
LGA    H    83_B      H    83_C     1.437     0    0.090   0.315     2.132   77.143   73.000
LGA    A    84_B      A    84_C     1.968     0    0.033   0.041     2.154   68.810   69.619
LGA    T    85_B      T    85_C     2.656     0    0.180   0.209     3.578   62.857   58.435
LGA    T    86_B      T    86_C     1.772     0    0.042   1.027     2.960   70.833   69.456
LGA    E    87_B      E    87_C     1.402     0    0.045   1.071     3.588   79.286   69.101
LGA    E    88_B      E    88_C     0.420     0    0.038   0.984     3.813   95.238   74.656
LGA    E    89_B      E    89_C     0.819     0    0.026   0.209     2.884   92.857   79.153
LGA    A    90_B      A    90_C     0.495     0    0.039   0.041     0.798  100.000   98.095
LGA    L    91_B      L    91_C     0.462     0    0.027   0.727     3.320   95.238   83.571
LGA    E    92_B      E    92_C     0.577     0    0.041   0.295     1.974   97.619   86.772
LGA    N    93_B      N    93_C     0.442     0    0.013   1.070     2.857  100.000   89.940
LGA    M    94_B      M    94_C     0.356     0    0.024   0.157     0.668  100.000   97.619
LGA    D    95_B      D    95_C     0.467     0    0.051   0.211     1.226   97.619   94.107
LGA    K    96_B      K    96_C     0.572     0    0.016   1.254     6.816   92.857   71.799
LGA    F    97_B      F    97_C     0.334     0    0.028   0.223     1.132  100.000   93.983
LGA    L    98_B      L    98_C     0.377     0    0.038   0.143     1.153  100.000   92.976
LGA    E    99_B      E    99_C     0.431     0    0.035   0.926     3.948  100.000   76.032
LGA    S   100_B      S   100_C     0.444     0    0.082   0.508     1.478  100.000   95.317
LGA    W   101_B      W   101_C     0.216     0    0.032   1.305     4.921  100.000   75.000
LGA    E   102_B      E   102_C     0.224     0    0.043   0.128     0.630  100.000   98.942
LGA    K   103_B      K   103_C     0.224     0    0.017   0.735     2.423  100.000   87.196
LGA    V   104_B      V   104_C     0.240     0    0.022   0.081     0.640   97.619   97.279
LGA    F   105_B      F   105_C     0.605     0    0.018   0.108     1.615   92.857   86.450
LGA    K   106_B      K   106_C     0.710     0    0.026   1.054     6.945   90.476   66.561
LGA    E   107_B      E   107_C     0.369     0    0.051   0.498     1.490  100.000   93.757
LGA    L   108_B      L   108_C     0.679     0    0.015   0.131     0.849   90.476   90.476
LGA    L   109_B      L   109_C     0.749     0    0.015   1.296     3.219   90.476   82.083
LGA    E   110_B      E   110_C     0.504     0    0.034   0.117     1.155   95.238   91.587
LGA    Y   111_B      Y   111_C     0.237     0    0.063   0.096     1.178   97.619   94.484
LGA    H   112_B      H   112_C     0.260     0    0.022   1.093     3.078   97.619   85.095
LGA    F   113_B      F   113_C     1.186     0    0.109   0.923     4.203   81.548   65.411
LGA    E   114_B      E   114_C     1.737     0    0.138   0.401     2.050   72.976   72.910
LGA    H   115_B      H   115_C     2.317     0    0.155   1.155     6.958   64.762   47.905
LGA    N   116_B      N   116_C     2.892     0    0.102   0.905     4.089   53.571   51.071
LGA    S   119_B      S   119_C     1.945     0    0.085   0.248     3.150   71.429   74.841
LGA    P   120_B      P   120_C     0.826     0    0.089   0.160     1.891   88.214   82.857
LGA    T   121_B      T   121_C     0.289     0    0.045   0.122     0.699  100.000   98.639
LGA    F   122_B      F   122_C     0.558     0    0.022   0.366     2.017   92.857   82.554
LGA    D   123_B      D   123_C     0.975     0    0.088   0.173     1.951   90.476   82.738
LGA    F   124_B      F   124_C     0.666     0    0.049   0.109     0.744   90.476   90.476
LGA    F   125_B      F   125_C     0.630     0    0.033   0.192     1.044   90.476   89.654
LGA    L   126_B      L   126_C     0.752     0    0.013   0.170     0.866   90.476   90.476
LGA    D   127_B      D   127_C     0.991     0    0.051   0.299     2.150   90.476   81.726
LGA    F   128_B      F   128_C     0.762     0    0.032   0.349     2.445   90.476   80.952
LGA    L   129_B      L   129_C     0.836     0    0.024   0.154     0.996   90.476   90.476
LGA    W   130_B      W   130_C     0.723     0    0.054   0.116     1.400   88.214   87.245
LGA    W   131_B      W   131_C     0.768     0    0.056   0.151     1.225   88.214   89.830
LGA    Q   132_B      Q   132_C     0.982     0    0.137   0.466     2.316   90.476   85.608
LGA    L   133_B      L   133_C     1.077     0    0.077   0.189     1.320   81.429   85.952
LGA    Y   134_B      Y   134_C     1.677     0    0.067   0.155     1.773   72.857   80.119
LGA    G   135_B      G   135_C     1.947     0    0.039   0.039     1.947   72.857   72.857
LGA    E   136_B      E   136_C     1.477     0    0.033   0.091     2.944   79.286   69.577
LGA    P   137_B      P   137_C     1.216     0    0.559   0.813     3.929   69.762   73.537
LGA    M   138_B      M   138_C     1.024     0    0.657   1.109     6.218   69.405   51.310

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00    1099   1099  100.00               127
SUMMARY(RMSD_GDC):     1.219          1.273                  2.013           85.511   78.767

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0    127    1.22    90.157    95.576     9.629

LGA_LOCAL      RMSD:   1.219  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.219  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:   1.219  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.336881 * X  +  -0.657257 * Y  +   0.674184 * Z  +  24.027191
  Y_new =  -0.615371 * X  +  -0.388246 * Y  +  -0.685991 * Z  +   1.353855
  Z_new =   0.712622 * X  +  -0.645971 * Y  +  -0.273664 * Z  +  68.825806 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.071675 -0.793228 -1.971521   [DEG: -118.6983  -45.4486 -112.9598 ]
ZXZ:  0.776718  1.847997  2.307175   [DEG:   44.5027  105.8824  132.1914 ]
 
# END of job
