
#######################################################
#                                                     #
#                        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       2.31     2.31
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      23_B - 136_B       1.95     2.35
  LONGEST_CONTINUOUS_SEGMENT:   114      24_B - 137_B       1.94     2.35
  LCS_AVERAGE:     96.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      32_B - 131_B       0.97     2.45
  LONGEST_CONTINUOUS_SEGMENT:   100      33_B - 132_B       0.98     2.43
  LCS_AVERAGE:     73.89

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  113  118      3    4   15   31   44   61   81  102  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     A    22_B     A    22_B      3  113  118      3    9   16   27   35   44   51   58  105  108  110  113  114  118  118  118  118  118  118  118 
LCS_GDT     S    23_B     S    23_B      3  114  118      3    4    4    4   26   50   58  103  108  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B      7  114  118      5    6    9   34   84  104  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B      7  114  118      5    6   14   34  101  106  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B      7  114  118      5   53   93   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B      7  114  118      5   60   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B      7  114  118      6   75   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B      7  114  118      3    6   16   44   97  107  109  109  109  111  112  115  117  118  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B      7  114  118      3    3    7   35   62  107  109  109  109  111  112  115  117  118  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B     99  114  118      3    3    4   61   94  107  109  109  109  111  111  115  117  118  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B    100  114  118     12   49   85   98  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B    100  114  118     32   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     L    37_B     L    37_B    100  114  118     15   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B    100  114  118      4   57   96   98  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B    100  114  118     19   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B    100  114  118     16   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B    100  114  118     32   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B    100  114  118     34   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B    100  114  118     19   79   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B    100  114  118     12   73   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     E    49_B     E    49_B    100  114  118      4   23   83   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B    100  114  118     11   76   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B    100  114  118     31   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B    100  114  118     31   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B    100  114  118     34   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B    100  114  118     16   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B    100  114  118     36   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B    100  114  118     36   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B    100  114  118     32   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B    100  114  118     30   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B    100  114  118     36   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B    100  114  118      3    4   74   97  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B    100  114  118     14   82   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B    100  114  118     34   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B    100  114  118     33   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B    100  114  118     36   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B    100  114  118     16   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B    100  114  118     18   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B    100  114  118     36   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B    100  114  118     36   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B    100  114  118     19   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B    100  114  118     30   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     K   103_B     K   103_B    100  114  118     24   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B    100  114  118     33   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B    100  114  118     24   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B    100  114  118     21   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B    100  114  118     17   81   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B    100  114  118     17   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B    100  114  118     39   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B    100  114  118     40   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B    100  114  118     38   83   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B    100  114  118      4   49   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B    100  114  118      8   73   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B    100  114  118     12   73   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B    100  114  118      8   59   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B    100  114  118      8   82   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B    100  114  118     19   79   96   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B    100  114  118      4   19   71   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B    100  114  118      4   18   57   96  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B    100  114  118      3   18   77   99  102  107  109  109  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B      7  114  118      3    6    7   16   25   67   86  106  108  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B      5  114  118      3    4    5    5    6   40   78   98  108  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B      5  114  118      3    4    5    5    6   10   10   15   53   76  111  114  117  118  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B      5  114  118      3    4    5    5    6   29  104  106  108  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B      5  114  118      3    4    5   19   26   48   78   98  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B      4  109  118      3    6   14   26   44   63   83   98  109  112  113  115  117  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  90.15  (  73.89   96.56  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     83     96     99    102    107    109    109    109    112    113    115    117    118    118    118    118    118    118    118 
GDT PERCENT_AT  33.90  70.34  81.36  83.90  86.44  90.68  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
GDT RMS_LOCAL    0.36   0.57   0.79   0.90   0.98   1.24   1.34   1.34   1.34   1.85   1.96   2.06   2.20   2.31   2.31   2.31   2.31   2.31   2.31   2.31
GDT RMS_ALL_AT   2.53   2.60   2.46   2.41   2.40   2.48   2.45   2.45   2.45   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31   2.31

# 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:  E    55_B      E    55_B
#   possible swapping detected:  Y    71_B      Y    71_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  Y    76_B      Y    76_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     6.395     0    0.493   0.735     8.997   17.500   13.690
LGA    A    22_B      A    22_B     8.826     0    0.274   0.277    11.125    3.810    3.048
LGA    S    23_B      S    23_B     8.453     0    0.626   0.655    11.365    9.643    6.508
LGA    M    24_B      M    24_B     4.319     0    0.659   0.919     5.286   32.976   37.619
LGA    Y    25_B      Y    25_B     3.380     0    0.219   0.361     8.132   59.881   34.206
LGA    A    26_B      A    26_B     2.204     0    0.032   0.038     2.926   64.881   64.857
LGA    K    27_B      K    27_B     1.267     0    0.059   1.083     6.331   85.952   67.090
LGA    H    28_B      H    28_B     1.011     0    0.590   0.505     1.539   81.548   82.381
LGA    S    29_B      S    29_B     3.795     0    0.267   0.331     4.708   40.476   39.444
LGA    A    30_B      A    30_B     4.246     0    0.157   0.150     4.918   35.714   34.857
LGA    Q    31_B      Q    31_B     4.108     0    0.192   1.019    10.359   50.595   25.873
LGA    N    32_B      N    32_B     2.496     0    0.589   0.660     4.785   66.786   54.524
LGA    Y    33_B      Y    33_B     0.796     0    0.122   0.178     2.514   85.952   81.071
LGA    Q    34_B      Q    34_B     0.799     0    0.030   0.864     3.157   90.476   75.820
LGA    P    35_B      P    35_B     0.937     0    0.071   0.249     2.388   88.214   82.925
LGA    L    36_B      L    36_B     0.683     0    0.038   1.347     3.449   88.214   78.095
LGA    L    37_B      L    37_B     0.912     0    0.043   0.646     2.154   88.214   85.000
LGA    P    38_B      P    38_B     1.727     0    0.632   0.582     4.195   64.048   70.272
LGA    G    39_B      G    39_B     0.629     0    0.131   0.131     0.742   92.857   92.857
LGA    I    40_B      I    40_B     0.241     0    0.038   0.591     1.913  100.000   96.607
LGA    K    41_B      K    41_B     0.445     0    0.038   0.646     2.510  100.000   84.444
LGA    I    42_B      I    42_B     0.951     0    0.073   0.140     1.372   85.952   83.690
LGA    K    43_B      K    43_B     1.402     0    0.044   0.673     2.816   83.690   71.534
LGA    T    44_B      T    44_B     1.270     0    0.060   0.128     1.695   79.286   78.980
LGA    L    45_B      L    45_B     1.031     0    0.069   0.089     1.581   81.548   84.881
LGA    V    46_B      V    46_B     0.610     0    0.149   1.150     3.440   92.857   82.381
LGA    Y    47_B      Y    47_B     0.915     0    0.171   0.358     2.533   86.190   77.460
LGA    G    48_B      G    48_B     1.205     0    0.069   0.069     1.756   79.405   79.405
LGA    E    49_B      E    49_B     2.317     0    0.117   0.360     4.588   64.881   54.603
LGA    L    50_B      L    50_B     0.975     0    0.081   0.134     2.397   90.595   80.774
LGA    T    51_B      T    51_B     0.518     0    0.139   1.105     2.272   92.857   84.490
LGA    L    52_B      L    52_B     0.625     0    0.032   0.608     2.080   90.476   87.321
LGA    M    53_B      M    53_B     0.584     0    0.021   0.845     1.842   90.476   86.071
LGA    T    54_B      T    54_B     0.909     0    0.039   0.096     1.290   92.857   89.252
LGA    E    55_B      E    55_B     0.549     0    0.063   0.094     1.277   95.238   89.577
LGA    F    56_B      F    56_B     0.497     0    0.105   0.234     1.288  100.000   92.338
LGA    V    57_B      V    57_B     0.896     0    0.057   0.088     1.567   90.476   85.374
LGA    M    58_B      M    58_B     0.925     0    0.059   0.909     4.943   85.952   78.631
LGA    D    59_B      D    59_B     0.724     0    0.022   0.627     1.658   90.476   87.143
LGA    K    60_B      K    60_B     1.014     0    0.023   0.571     3.555   85.952   78.254
LGA    G    61_B      G    61_B     1.157     0    0.019   0.019     1.179   81.429   81.429
LGA    S    62_B      S    62_B     0.803     0    0.039   0.140     0.990   90.476   90.476
LGA    S    63_B      S    63_B     1.088     0    0.058   0.097     1.541   85.952   83.016
LGA    L    64_B      L    64_B     1.011     0    0.080   1.065     3.024   85.952   79.821
LGA    P    65_B      P    65_B     1.250     0    0.065   0.097     1.916   85.952   81.565
LGA    D    66_B      D    66_B     0.566     0    0.031   0.570     1.475   90.476   90.595
LGA    H    67_B      H    67_B     0.783     0    0.055   0.145     0.922   90.476   90.476
LGA    T    68_B      T    68_B     0.733     0    0.074   0.081     1.106   90.476   87.891
LGA    H    69_B      H    69_B     0.777     0    0.039   0.422     1.750   90.476   85.143
LGA    P    70_B      P    70_B     1.037     0    0.021   0.037     1.136   81.429   81.429
LGA    Y    71_B      Y    71_B     1.065     0    0.089   0.109     1.199   81.429   85.198
LGA    E    72_B      E    72_B     0.866     0    0.057   0.635     2.219   88.214   80.794
LGA    Q    73_B      Q    73_B     0.853     0    0.071   0.226     1.116   90.476   89.471
LGA    T    74_B      T    74_B     0.653     0    0.014   1.027     2.951   90.476   84.422
LGA    G    75_B      G    75_B     0.630     0    0.050   0.050     0.799   90.476   90.476
LGA    Y    76_B      Y    76_B     0.632     0    0.035   0.260     1.737   90.476   85.317
LGA    L    77_B      L    77_B     0.605     0    0.049   0.290     1.235   90.476   89.345
LGA    V    78_B      V    78_B     0.788     0    0.012   0.049     0.845   90.476   90.476
LGA    S    79_B      S    79_B     0.801     0    0.085   0.545     2.232   90.476   86.190
LGA    G    80_B      G    80_B     0.698     0    0.029   0.029     0.698   95.238   95.238
LGA    K    81_B      K    81_B     0.402     0    0.046   0.815     3.747   97.619   80.741
LGA    I    82_B      I    82_B     0.393     0    0.034   0.075     0.915  100.000   95.238
LGA    I    83_B      I    83_B     0.433     0    0.077   0.609     2.124   97.619   90.833
LGA    L    84_B      L    84_B     0.449     0    0.074   0.152     1.233   97.619   92.917
LGA    Y    85_B      Y    85_B     0.532     0    0.045   0.082     0.902   90.476   90.476
LGA    I    86_B      I    86_B     0.503     0    0.013   0.078     0.764   92.857   91.667
LGA    E    87_B      E    87_B     0.713     0    0.613   1.178     5.694   84.048   67.143
LGA    D    88_B      D    88_B     2.686     0    0.087   1.128     7.669   66.905   42.798
LGA    K    89_B      K    89_B     1.276     0    0.116   1.010     4.629   83.810   70.106
LGA    K    90_B      K    90_B     0.863     0    0.036   0.226     1.264   88.214   89.471
LGA    Q    91_B      Q    91_B     0.848     0    0.080   1.082     3.262   92.857   82.063
LGA    Q    92_B      Q    92_B     0.743     0    0.053   0.570     1.631   88.214   86.508
LGA    I    93_B      I    93_B     0.688     0    0.025   0.626     1.716   90.476   88.274
LGA    M    94_B      M    94_B     0.843     0    0.100   0.669     1.919   90.476   83.869
LGA    A    95_B      A    95_B     0.958     0    0.023   0.030     1.376   85.952   85.048
LGA    G    96_B      G    96_B     1.316     0    0.055   0.055     1.381   81.429   81.429
LGA    D    97_B      D    97_B     0.936     0    0.039   0.207     1.188   90.476   87.083
LGA    S    98_B      S    98_B     0.819     0    0.034   0.047     0.891   90.476   90.476
LGA    W    99_B      W    99_B     0.866     0    0.079   0.116     1.013   90.476   91.190
LGA    C   100_B      C   100_B     1.030     0    0.086   0.094     1.143   83.690   84.444
LGA    I   101_B      I   101_B     0.350     0    0.046   0.422     1.080   97.619   95.298
LGA    P   102_B      P   102_B     0.832     0    0.036   0.052     0.880   90.476   90.476
LGA    K   103_B      K   103_B     1.220     0    0.013   1.108     3.921   81.429   74.497
LGA    N   104_B      N   104_B     1.205     0    0.050   0.432     1.667   85.952   82.619
LGA    V   105_B      V   105_B     0.687     0    0.051   0.098     0.868   90.476   90.476
LGA    H   106_B      H   106_B     0.701     0    0.065   0.160     1.122   92.857   89.619
LGA    H   107_B      H   107_B     0.529     0    0.069   0.089     0.700   92.857   94.286
LGA    H   108_B      H   108_B     0.504     0    0.037   1.159     2.738   90.476   84.714
LGA    A   109_B      A   109_B     0.723     0    0.015   0.015     0.789   90.476   90.476
LGA    E   110_B      E   110_B     0.780     0    0.049   0.735     2.993   95.238   83.968
LGA    I   111_B      I   111_B     0.644     0    0.094   0.173     1.580   90.595   83.869
LGA    L   112_B      L   112_B     1.003     0    0.069   0.174     1.865   83.690   80.417
LGA    E   113_B      E   113_B     0.986     0    0.123   1.118     4.083   88.214   73.280
LGA    N   114_B      N   114_B     0.980     0    0.118   0.234     1.730   88.214   84.881
LGA    S   115_B      S   115_B     0.506     0    0.080   0.687     2.124   95.238   90.952
LGA    V   116_B      V   116_B     0.602     0    0.029   0.069     0.891   90.476   90.476
LGA    A   117_B      A   117_B     0.628     0    0.034   0.038     0.695   90.476   90.476
LGA    V   118_B      V   118_B     0.467     0    0.052   0.103     0.652   97.619   94.558
LGA    E   119_B      E   119_B     0.503     0    0.060   0.608     2.195   92.857   90.794
LGA    V   120_B      V   120_B     0.626     0    0.025   0.064     0.980   92.857   91.837
LGA    F   121_B      F   121_B     0.618     0    0.026   0.134     1.048   92.857   90.519
LGA    A   122_B      A   122_B     0.681     0    0.077   0.084     1.226   88.214   88.667
LGA    P   123_B      P   123_B     0.428     0    0.025   0.340     1.391   92.857   90.612
LGA    T   124_B      T   124_B     1.347     0    0.126   0.920     2.775   81.548   75.578
LGA    R   125_B      R   125_B     1.184     0    0.038   0.891     2.024   83.690   83.203
LGA    E   126_B      E   126_B     1.208     0    0.025   0.908     3.548   81.429   74.392
LGA    E   127_B      E   127_B     1.380     0    0.014   1.083     3.188   81.429   75.079
LGA    Y   128_B      Y   128_B     0.914     0    0.194   0.473     2.080   85.952   83.175
LGA    I   129_B      I   129_B     0.768     0    0.016   0.066     2.276   83.810   80.536
LGA    K   130_B      K   130_B     2.551     0    0.029   0.720     5.008   59.286   48.730
LGA    Y   131_B      Y   131_B     2.659     0    0.056   0.276     3.079   57.262   57.183
LGA    L   132_B      L   132_B     2.583     0    0.608   1.378     4.702   63.214   56.131
LGA    D   133_B      D   133_B     6.121     0    0.514   1.335    10.932   16.905    8.810
LGA    R   134_B      R   134_B     8.069     0    0.009   1.302    10.567    6.667    2.900
LGA    T   135_B      T   135_B     7.806     0    0.034   0.096     9.321    8.571    6.190
LGA    T   136_B      T   136_B     5.597     0    0.286   0.292     7.480   19.405   17.415
LGA    V   137_B      V   137_B     7.955     0    0.255   0.280    12.041    9.048    5.306
LGA    V   138_B      V   138_B     7.837     0    0.029   0.103     9.243    4.643    6.939

# 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):     2.305          2.268                  2.724           79.634   75.112

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    109    1.34    86.653    91.104     7.568

LGA_LOCAL      RMSD:   1.340  Number of atoms:  109  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.445  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   2.305  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.585020 * X  +  -0.794581 * Y  +  -0.162454 * Z  +   8.044557
  Y_new =  -0.431686 * X  +   0.135506 * Y  +   0.891788 * Z  +  38.013435
  Z_new =  -0.686584 * X  +   0.591843 * Y  +  -0.422283 * Z  +   4.416272 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.505881  0.756781  2.190529   [DEG: -143.5764   43.3603  125.5081 ]
ZXZ: -2.961401  2.006759 -0.859370   [DEG: -169.6758  114.9788  -49.2383 ]
 
# END of job
