
#######################################################
#                                                     #
#                        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  139 ( 1107),  selected  118 , name one
# Molecule2: number of CA atoms  118 (  945),  selected  118 , 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:   118      21_B - 138_B       2.11     2.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116      21_B - 136_B       1.96     2.11
  LONGEST_CONTINUOUS_SEGMENT:   116      22_B - 137_B       1.94     2.12
  LONGEST_CONTINUOUS_SEGMENT:   116      23_B - 138_B       1.90     2.12
  LCS_AVERAGE:     98.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106      26_B - 131_B       1.00     2.24
  LCS_AVERAGE:     83.27

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  118
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     M    21_B     M    21_B      3  116  118      3    3    3    3   24   30   62  102  110  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    22_B     A    22_B      3  116  118      3    3    3    5   38   45   52   61   68  110  114  115  118  118  118  118  118  118  118  118 
LCS_GDT     S    23_B     S    23_B      3  116  118      3    3    3   20   29   50   57  105  110  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B    100  116  118      4   12   21   91  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B    105  116  118      4   12   48  102  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B    106  116  118      6   63   94  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B    106  116  118      4   73   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B    106  116  118      4   46   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B    106  116  118      4   53   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B    106  116  118      4   51   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B    106  116  118      4   25   58  102  108  109  109  109  111  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B    106  116  118      3   30   47   94  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B    106  116  118     39   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    37_B     L    37_B    106  116  118     18   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B    106  116  118     20   81   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B    106  116  118     18   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B    106  116  118     25   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B    106  116  118     20   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B    106  116  118     20   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B    106  116  118     32   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B    106  116  118     17   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B    106  116  118     26   78   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B    106  116  118     29   81   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    49_B     E    49_B    106  116  118     24   77   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B    106  116  118     27   81   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B    106  116  118     35   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B    106  116  118     39   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B    106  116  118     33   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B    106  116  118     18   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B    106  116  118     18   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B    106  116  118     18   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B    106  116  118     34   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B    106  116  118     28   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B    106  116  118     19   81   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B    106  116  118     28   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B    106  116  118     28   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B    106  116  118     28   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B    106  116  118     11   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B    106  116  118     24   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B    106  116  118     38   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B    106  116  118     22   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B    106  116  118     35   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B    106  116  118     33   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B    106  116  118     22   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B    106  116  118     22   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B    106  116  118     22   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B    106  116  118     20   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B    106  116  118     17   76   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B    106  116  118     35   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B    106  116  118     17   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     K   103_B     K   103_B    106  116  118      7   80   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B    106  116  118     11   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B    106  116  118     37   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B    106  116  118     37   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B    106  116  118     18   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B    106  116  118     13   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B    106  116  118     31   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B    106  116  118     24   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B    106  116  118     23   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B    106  116  118     29   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B    106  116  118     40   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B    106  116  118     35   82   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B    106  116  118     11   77   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B    106  116  118      5   48   95  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B    106  116  118      5   27   95  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B    106  116  118      9   49   95  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B    106  116  118      9   36   94  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B    106  116  118      9   75   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B    106  116  118     23   73   97  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B    106  116  118      4   42   87  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B    106  116  118      4    9   35  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B    104  116  118      3   15   84  105  108  109  109  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B     10  116  118      3    7    8   29   41   58   77  108  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B      6  116  118      3    5    6   46   60   87  106  108  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B      6  116  118      4    5    6    6    6    8   19   24   52   59  113  117  118  118  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B      6  116  118      4    5    9   14   20   26  102  108  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B      6  116  118      4    5    6   16   73   91  106  109  112  113  115  117  118  118  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B      6  116  118      4    5    6    6   29   39   49   63  103  113  115  117  118  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  93.86  (  83.27   98.31  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     40     82     97    105    108    109    109    109    112    113    115    117    118    118    118    118    118    118    118    118 
GDT PERCENT_AT  33.90  69.49  82.20  88.98  91.53  92.37  92.37  92.37  94.92  95.76  97.46  99.15 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.37   0.60   0.79   0.96   1.05   1.10   1.10   1.10   1.48   1.51   1.85   1.97   2.11   2.11   2.11   2.11   2.11   2.11   2.11   2.11
GDT RMS_ALL_AT   2.39   2.36   2.29   2.22   2.23   2.22   2.22   2.22   2.15   2.16   2.11   2.11   2.11   2.11   2.11   2.11   2.11   2.11   2.11   2.11

# Checking swapping
#   possible swapping detected:  Y    25_B      Y    25_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  Y    47_B      Y    47_B
#   possible swapping detected:  Y    71_B      Y    71_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    85_B      Y    85_B
#   possible swapping detected:  E   113_B      E   113_B
#   possible swapping detected:  F   121_B      F   121_B
#   possible swapping detected:  E   127_B      E   127_B
#   possible swapping detected:  Y   128_B      Y   128_B
#   possible swapping detected:  Y   131_B      Y   131_B
#   possible swapping detected:  D   133_B      D   133_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M    21_B      M    21_B     6.509     0    0.503   1.159     8.637   14.524   10.774
LGA    A    22_B      A    22_B     9.143     0    0.265   0.268    11.564    3.929    3.143
LGA    S    23_B      S    23_B     8.053     0    0.620   0.654    11.287   12.619    8.651
LGA    M    24_B      M    24_B     3.466     0    0.637   0.930     5.147   45.119   44.107
LGA    Y    25_B      Y    25_B     2.580     0    0.292   0.376     8.412   73.929   39.563
LGA    A    26_B      A    26_B     1.798     0    0.047   0.061     2.411   70.833   69.619
LGA    K    27_B      K    27_B     1.169     0    0.046   1.152     5.974   83.690   70.159
LGA    H    28_B      H    28_B     1.545     0    0.325   0.659     4.662   75.119   61.524
LGA    S    29_B      S    29_B     1.617     0    0.056   0.135     1.644   72.857   72.857
LGA    A    30_B      A    30_B     1.826     0    0.012   0.012     2.156   70.833   69.619
LGA    Q    31_B      Q    31_B     2.746     0    0.603   1.033     6.414   57.500   45.556
LGA    N    32_B      N    32_B     2.732     0    0.563   0.851     4.961   57.262   49.048
LGA    Y    33_B      Y    33_B     0.997     0    0.106   0.172     1.280   88.214   85.952
LGA    Q    34_B      Q    34_B     1.005     0    0.051   0.858     2.697   85.952   75.238
LGA    P    35_B      P    35_B     0.803     0    0.023   0.139     1.035   90.476   89.184
LGA    L    36_B      L    36_B     0.687     0    0.016   1.368     3.773   88.214   77.024
LGA    L    37_B      L    37_B     0.824     0    0.030   0.645     2.251   90.476   86.131
LGA    P    38_B      P    38_B     1.242     0    0.085   0.095     1.517   81.429   80.204
LGA    G    39_B      G    39_B     0.622     0    0.038   0.038     0.835   92.857   92.857
LGA    I    40_B      I    40_B     0.604     0    0.050   0.609     1.754   92.857   89.464
LGA    K    41_B      K    41_B     0.471     0    0.039   0.968     3.368  100.000   89.471
LGA    I    42_B      I    42_B     0.887     0    0.067   0.136     1.354   85.952   83.690
LGA    K    43_B      K    43_B     1.362     0    0.086   0.901     2.667   81.429   74.974
LGA    T    44_B      T    44_B     1.355     0    0.049   0.103     1.653   79.286   80.204
LGA    L    45_B      L    45_B     1.203     0    0.055   0.095     1.696   79.286   82.619
LGA    V    46_B      V    46_B     1.118     0    0.186   1.091     3.324   88.214   79.592
LGA    Y    47_B      Y    47_B     0.927     0    0.229   0.921     5.436   90.595   70.873
LGA    G    48_B      G    48_B     0.640     0    0.086   0.086     0.845   90.476   90.476
LGA    E    49_B      E    49_B     1.174     0    0.039   0.407     2.443   81.429   77.672
LGA    L    50_B      L    50_B     0.725     0    0.062   0.110     1.312   90.476   87.083
LGA    T    51_B      T    51_B     0.333     0    0.066   0.092     0.905   95.238   97.279
LGA    L    52_B      L    52_B     0.483     0    0.039   0.626     2.122   95.238   90.833
LGA    M    53_B      M    53_B     0.610     0    0.024   0.863     2.224   88.214   85.000
LGA    T    54_B      T    54_B     0.961     0    0.046   0.141     1.444   92.857   87.959
LGA    E    55_B      E    55_B     0.523     0    0.083   0.693     2.006   95.238   86.772
LGA    F    56_B      F    56_B     0.494     0    0.104   0.258     1.544   97.619   89.004
LGA    V    57_B      V    57_B     0.431     0    0.061   0.132     0.766  100.000   97.279
LGA    M    58_B      M    58_B     0.475     0    0.093   0.896     4.673   92.976   83.214
LGA    D    59_B      D    59_B     0.514     0    0.028   0.449     1.743   95.238   89.524
LGA    K    60_B      K    60_B     0.740     0    0.012   0.501     3.008   90.476   82.963
LGA    G    61_B      G    61_B     1.070     0    0.026   0.026     1.182   83.690   83.690
LGA    S    62_B      S    62_B     0.830     0    0.040   0.142     1.101   88.214   88.968
LGA    S    63_B      S    63_B     1.221     0    0.061   0.096     1.537   83.690   81.508
LGA    L    64_B      L    64_B     1.119     0    0.021   1.100     2.811   83.690   78.571
LGA    P    65_B      P    65_B     0.756     0    0.063   0.096     1.104   90.476   87.891
LGA    D    66_B      D    66_B     0.399     0    0.048   0.489     1.720   95.238   91.845
LGA    H    67_B      H    67_B     0.765     0    0.044   0.216     1.096   90.476   89.571
LGA    T    68_B      T    68_B     0.897     0    0.138   1.073     2.493   88.214   81.837
LGA    H    69_B      H    69_B     0.583     0    0.012   1.153     5.870   90.476   63.429
LGA    P    70_B      P    70_B     0.657     0    0.036   0.051     0.673   90.476   90.476
LGA    Y    71_B      Y    71_B     0.631     0    0.074   0.095     1.430   88.214   86.706
LGA    E    72_B      E    72_B     0.556     0    0.047   0.630     2.427   92.857   81.005
LGA    Q    73_B      Q    73_B     1.140     0    0.120   1.083     3.348   83.690   76.085
LGA    T    74_B      T    74_B     0.763     0    0.015   1.030     3.156   90.476   82.109
LGA    G    75_B      G    75_B     0.563     0    0.049   0.049     0.793   90.476   90.476
LGA    Y    76_B      Y    76_B     0.521     0    0.016   1.270     8.494   92.857   60.079
LGA    L    77_B      L    77_B     0.514     0    0.051   0.297     1.258   92.857   91.726
LGA    V    78_B      V    78_B     0.716     0    0.013   0.045     0.796   90.476   90.476
LGA    S    79_B      S    79_B     0.830     0    0.085   0.545     2.117   90.476   86.190
LGA    G    80_B      G    80_B     0.569     0    0.040   0.040     0.608   92.857   92.857
LGA    K    81_B      K    81_B     0.102     0    0.050   0.833     3.986  100.000   81.958
LGA    I    82_B      I    82_B     0.300     0    0.022   0.065     0.878  100.000   95.238
LGA    I    83_B      I    83_B     0.551     0    0.077   0.084     0.848   92.857   91.667
LGA    L    84_B      L    84_B     0.538     0    0.051   0.148     1.119   90.476   89.345
LGA    Y    85_B      Y    85_B     0.720     0    0.021   1.291     9.605   90.476   52.460
LGA    I    86_B      I    86_B     0.629     0    0.035   0.091     0.772   90.476   90.476
LGA    E    87_B      E    87_B     0.924     0    0.279   0.613     2.921   81.786   79.947
LGA    D    88_B      D    88_B     1.007     0    0.121   0.441     2.824   85.952   80.714
LGA    K    89_B      K    89_B     0.824     0    0.017   1.030     5.971   92.857   71.058
LGA    K    90_B      K    90_B     0.690     0    0.032   0.751     4.130   90.476   76.349
LGA    Q    91_B      Q    91_B     0.600     0    0.071   1.081     2.330   95.238   87.937
LGA    Q    92_B      Q    92_B     0.498     0    0.040   0.383     1.251   95.238   92.646
LGA    I    93_B      I    93_B     0.479     0    0.029   0.639     1.825   97.619   91.845
LGA    M    94_B      M    94_B     0.698     0    0.077   0.670     1.725   90.476   84.940
LGA    A    95_B      A    95_B     0.808     0    0.038   0.048     1.209   88.214   86.857
LGA    G    96_B      G    96_B     1.175     0    0.046   0.046     1.291   83.690   83.690
LGA    D    97_B      D    97_B     0.909     0    0.043   0.196     1.110   90.476   87.083
LGA    S    98_B      S    98_B     0.786     0    0.030   0.043     0.870   90.476   90.476
LGA    W    99_B      W    99_B     0.857     0    0.073   0.101     0.985   90.476   91.156
LGA    C   100_B      C   100_B     1.069     0    0.084   0.094     1.260   83.690   82.937
LGA    I   101_B      I   101_B     0.398     0    0.045   0.417     0.804   95.238   95.238
LGA    P   102_B      P   102_B     0.776     0    0.038   0.063     0.925   90.476   90.476
LGA    K   103_B      K   103_B     1.302     0    0.060   1.328     5.167   81.429   72.857
LGA    N   104_B      N   104_B     1.149     0    0.027   0.374     1.222   85.952   84.821
LGA    V   105_B      V   105_B     0.569     0    0.043   0.090     0.759   90.476   94.558
LGA    H   106_B      H   106_B     0.674     0    0.034   1.136     3.463   92.857   82.429
LGA    H   107_B      H   107_B     0.619     0    0.077   0.139     0.658   90.476   95.238
LGA    H   108_B      H   108_B     0.484     0    0.059   0.185     0.715   92.857   94.286
LGA    A   109_B      A   109_B     0.895     0    0.033   0.034     1.021   88.214   88.667
LGA    E   110_B      E   110_B     1.001     0    0.053   0.702     2.554   85.952   78.836
LGA    I   111_B      I   111_B     0.412     0    0.091   0.163     1.558   95.238   88.393
LGA    L   112_B      L   112_B     0.712     0    0.056   0.145     1.613   90.476   86.012
LGA    E   113_B      E   113_B     0.696     0    0.125   1.117     4.099   88.214   75.026
LGA    N   114_B      N   114_B     0.756     0    0.120   0.251     1.407   90.476   89.345
LGA    S   115_B      S   115_B     0.553     0    0.073   0.684     2.269   95.238   90.952
LGA    V   116_B      V   116_B     0.501     0    0.036   0.060     0.748   92.857   91.837
LGA    A   117_B      A   117_B     0.568     0    0.036   0.041     0.639   95.238   94.286
LGA    V   118_B      V   118_B     0.344     0    0.055   0.101     0.612  100.000   97.279
LGA    E   119_B      E   119_B     0.513     0    0.062   0.590     2.062   92.857   89.735
LGA    V   120_B      V   120_B     0.535     0    0.016   0.068     0.733   95.238   93.197
LGA    F   121_B      F   121_B     0.543     0    0.047   0.118     1.249   95.238   89.740
LGA    A   122_B      A   122_B     0.165     0    0.070   0.079     0.649   97.619   96.190
LGA    P   123_B      P   123_B     0.954     0    0.067   0.326     1.559   88.333   86.735
LGA    T   124_B      T   124_B     1.683     0    0.102   1.001     3.192   75.000   70.816
LGA    R   125_B      R   125_B     1.768     0    0.070   0.889     2.374   72.857   78.485
LGA    E   126_B      E   126_B     1.743     0    0.010   1.161     5.739   72.857   56.667
LGA    E   127_B      E   127_B     1.823     0    0.021   1.095     3.179   72.857   70.317
LGA    Y   128_B      Y   128_B     1.154     0    0.161   0.293     1.847   83.690   82.302
LGA    I   129_B      I   129_B     1.093     0    0.022   0.658     3.402   79.286   74.286
LGA    K   130_B      K   130_B     2.283     0    0.021   0.733     4.325   64.881   55.238
LGA    Y   131_B      Y   131_B     2.107     0    0.031   0.279     2.637   64.881   66.151
LGA    L   132_B      L   132_B     2.143     0    0.593   1.420     4.791   69.286   59.345
LGA    D   133_B      D   133_B     5.673     0    0.518   1.334    11.130   22.738   11.726
LGA    R   134_B      R   134_B     6.358     0    0.035   1.219    10.169   16.667    8.268
LGA    T   135_B      T   135_B     7.191     0    0.031   0.155     8.816   11.905    8.027
LGA    T   136_B      T   136_B     5.254     0    0.037   0.114     8.171   30.476   23.605
LGA    V   137_B      V   137_B     6.048     0    0.019   0.128     9.513   17.262   12.789
LGA    V   138_B      V   138_B     8.352     0    0.491   1.081    11.042    3.690    6.395

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      118     472    472  100.00     945    945  100.00               118
SUMMARY(RMSD_GDC):     2.106          2.090                  2.641           81.687   76.458

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    109    1.10    87.712    92.644     9.113

LGA_LOCAL      RMSD:   1.096  Number of atoms:  109  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.217  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   2.106  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.312125 * X  +  -0.081375 * Y  +  -0.946549 * Z  +   4.085239
  Y_new =   0.732371 * X  +  -0.614026 * Y  +   0.294288 * Z  +  37.654778
  Z_new =  -0.605154 * X  +  -0.785080 * Y  +  -0.132056 * Z  +   0.247528 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.167922  0.649959 -1.737444   [DEG:   66.9170   37.2399  -99.5482 ]
ZXZ: -1.872228  1.703239 -2.484901   [DEG: -107.2708   97.5884 -142.3743 ]
 
# END of job
