
#######################################################
#                                                     #
#                        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       3.74     3.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   111      21_B - 131_B       1.88     3.96
  LONGEST_CONTINUOUS_SEGMENT:   111      22_B - 132_B       1.90     3.96
  LONGEST_CONTINUOUS_SEGMENT:   111      23_B - 133_B       1.94     3.97
  LCS_AVERAGE:     90.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      32_B - 130_B       0.97     4.06
  LCS_AVERAGE:     71.01

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  111  118      1    3    4    4    5    5    8   49   80   88  108  108  112  113  114  114  114  115  115  116 
LCS_GDT     A    22_B     A    22_B      3  111  118      3    3    3    4    6   28   81   99  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     S    23_B     S    23_B      3  111  118      3    3   18   50   77   93  103  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     M    24_B     M    24_B      6  111  118     20   70   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Y    25_B     Y    25_B      6  111  118      5   70   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     A    26_B     A    26_B      6  111  118     29   71   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     K    27_B     K    27_B      6  111  118     16   67   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     H    28_B     H    28_B      6  111  118     13   64   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     S    29_B     S    29_B      6  111  118      4    8   46  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     A    30_B     A    30_B      4  111  118      4    4    4   12   20   23   49   92  102  107  107  109  111  112  113  113  114  115  115  116 
LCS_GDT     Q    31_B     Q    31_B      4  111  118      4    4   28   45   58   84   98  103  106  107  107  109  111  112  113  113  114  115  115  116 
LCS_GDT     N    32_B     N    32_B     99  111  118     18   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Y    33_B     Y    33_B     99  111  118     19   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Q    34_B     Q    34_B     99  111  118     25   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     P    35_B     P    35_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     L    36_B     L    36_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     L    37_B     L    37_B     99  111  118      8   47   85  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     P    38_B     P    38_B     99  111  118     23   48   93  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     G    39_B     G    39_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     I    40_B     I    40_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     K    41_B     K    41_B     99  111  118     30   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     I    42_B     I    42_B     99  111  118     17   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     K    43_B     K    43_B     99  111  118      8   62   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     T    44_B     T    44_B     99  111  118     25   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     L    45_B     L    45_B     99  111  118     33   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     V    46_B     V    46_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Y    47_B     Y    47_B     99  111  118     28   71   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     G    48_B     G    48_B     99  111  118     17   67   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     E    49_B     E    49_B     99  111  118      3   21   65   89  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     L    50_B     L    50_B     99  111  118     28   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     T    51_B     T    51_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     L    52_B     L    52_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     M    53_B     M    53_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     T    54_B     T    54_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     E    55_B     E    55_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     F    56_B     F    56_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     V    57_B     V    57_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     M    58_B     M    58_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     D    59_B     D    59_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     K    60_B     K    60_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     G    61_B     G    61_B     99  111  118      7   38   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     S    62_B     S    62_B     99  111  118     20   67   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     S    63_B     S    63_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     L    64_B     L    64_B     99  111  118     21   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     P    65_B     P    65_B     99  111  118     21   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     D    66_B     D    66_B     99  111  118      6   70   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     H    67_B     H    67_B     99  111  118     13   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     T    68_B     T    68_B     99  111  118     13   71   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     H    69_B     H    69_B     99  111  118     10   69   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     P    70_B     P    70_B     99  111  118     20   67   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Y    71_B     Y    71_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     E    72_B     E    72_B     99  111  118     34   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Q    73_B     Q    73_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     T    74_B     T    74_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     G    75_B     G    75_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Y    76_B     Y    76_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     L    77_B     L    77_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     V    78_B     V    78_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     S    79_B     S    79_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     G    80_B     G    80_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     K    81_B     K    81_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     I    82_B     I    82_B     99  111  118     20   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     I    83_B     I    83_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     L    84_B     L    84_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Y    85_B     Y    85_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     I    86_B     I    86_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     E    87_B     E    87_B     99  111  118     27   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     D    88_B     D    88_B     99  111  118      3   63   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     K    89_B     K    89_B     99  111  118     33   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     K    90_B     K    90_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Q    91_B     Q    91_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Q    92_B     Q    92_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     I    93_B     I    93_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     M    94_B     M    94_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     A    95_B     A    95_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     G    96_B     G    96_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     D    97_B     D    97_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     S    98_B     S    98_B     99  111  118     18   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     W    99_B     W    99_B     99  111  118     13   68   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     C   100_B     C   100_B     99  111  118     19   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     I   101_B     I   101_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     P   102_B     P   102_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     K   103_B     K   103_B     99  111  118     20   67   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     N   104_B     N   104_B     99  111  118     20   69   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     V   105_B     V   105_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     H   106_B     H   106_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     H   107_B     H   107_B     99  111  118     21   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     H   108_B     H   108_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     A   109_B     A   109_B     99  111  118     10   62   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     E   110_B     E   110_B     99  111  118     20   62   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     I   111_B     I   111_B     99  111  118     20   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     L   112_B     L   112_B     99  111  118     20   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     E   113_B     E   113_B     99  111  118     34   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     N   114_B     N   114_B     99  111  118     22   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     S   115_B     S   115_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     V   116_B     V   116_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     A   117_B     A   117_B     99  111  118     32   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     V   118_B     V   118_B     99  111  118     24   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     E   119_B     E   119_B     99  111  118     28   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     V   120_B     V   120_B     99  111  118     23   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     F   121_B     F   121_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     A   122_B     A   122_B     99  111  118     35   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     P   123_B     P   123_B     99  111  118     28   72   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     T   124_B     T   124_B     99  111  118      5   44   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     R   125_B     R   125_B     99  111  118     24   67   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     E   126_B     E   126_B     99  111  118     24   67   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     E   127_B     E   127_B     99  111  118     24   67   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Y   128_B     Y   128_B     99  111  118     27   69   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     I   129_B     I   129_B     99  111  118     14   64   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     K   130_B     K   130_B     99  111  118      3   59   96  104  105  105  105  106  107  107  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     Y   131_B     Y   131_B      5  111  118      4    4    7    7    9   19   24   39  105  106  108  110  111  113  114  114  114  115  115  116 
LCS_GDT     L   132_B     L   132_B      5  111  118      4    4    5    6    6    6   11   15   39   79  106  110  112  113  114  114  114  115  115  116 
LCS_GDT     D   133_B     D   133_B      5  111  118      4    4    5    6    6    8   15   29   63   94  108  110  112  113  114  114  114  115  115  116 
LCS_GDT     R   134_B     R   134_B      5  104  118      4    4    5    9   12   36   65   77   92  100  106  110  112  113  114  114  114  115  115  116 
LCS_GDT     T   135_B     T   135_B      5    6  118      3    4    5    9   13   31   63   77   89   96  105  109  112  113  114  114  114  115  115  116 
LCS_GDT     T   136_B     T   136_B      3    4  118      3    3    4    9   12   16   16   40   69   90   96  104  109  113  114  114  114  115  115  116 
LCS_GDT     V   137_B     V   137_B      3    4  118      3    3    3    3    4    6    6   10   11   13   14   15   17   22   27   65   69   82   98  113 
LCS_GDT     V   138_B     V   138_B      3    4  118      3    3    3    3    4    6    6   10   11   13   14   15   17   20   23   26   33   35   49   68 
LCS_AVERAGE  LCS_A:  87.32  (  71.01   90.96  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     35     72     96    104    105    105    105    106    107    107    108    110    112    113    114    114    114    115    115    116 
GDT PERCENT_AT  29.66  61.02  81.36  88.14  88.98  88.98  88.98  89.83  90.68  90.68  91.53  93.22  94.92  95.76  96.61  96.61  96.61  97.46  97.46  98.31
GDT RMS_LOCAL    0.34   0.63   0.86   0.98   1.02   1.02   1.02   1.19   1.35   1.35   1.53   1.95   2.28   2.34   2.57   2.57   2.34   2.53   2.53   2.75
GDT RMS_ALL_AT   4.05   4.15   4.02   4.03   4.02   4.02   4.02   3.97   3.93   3.93   3.91   3.83   3.78   3.79   3.76   3.76   3.87   3.83   3.83   3.79

# Checking swapping
#   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:  Y    85_B      Y    85_B
#   possible swapping detected:  E   113_B      E   113_B
#   possible swapping detected:  E   127_B      E   127_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     7.997     0    0.174   1.042     9.208    7.976    9.405
LGA    A    22_B      A    22_B     6.748     0    0.695   0.672     7.851   22.024   19.048
LGA    S    23_B      S    23_B     6.207     0    0.095   0.207    10.465   25.476   17.778
LGA    M    24_B      M    24_B     1.255     0    0.600   1.510     8.079   75.357   47.262
LGA    Y    25_B      Y    25_B     0.999     0    0.091   0.146     1.198   88.214   85.198
LGA    A    26_B      A    26_B     0.406     0    0.026   0.039     1.037   90.595   90.571
LGA    K    27_B      K    27_B     1.363     0    0.137   1.119     7.681   79.405   57.566
LGA    H    28_B      H    28_B     1.790     0    0.592   1.227     4.985   67.143   57.048
LGA    S    29_B      S    29_B     2.422     0    0.619   0.744     5.539   47.024   43.810
LGA    A    30_B      A    30_B     8.129     0    0.255   0.251    10.394    9.048    7.238
LGA    Q    31_B      Q    31_B     6.214     0    0.130   1.086    12.016   35.595   17.090
LGA    N    32_B      N    32_B     1.559     0    0.608   0.621     3.558   67.619   69.524
LGA    Y    33_B      Y    33_B     1.298     0    0.136   1.461    10.137   79.286   47.976
LGA    Q    34_B      Q    34_B     1.034     0    0.032   1.105     4.898   81.429   68.836
LGA    P    35_B      P    35_B     1.392     0    0.107   0.253     2.509   81.429   75.510
LGA    L    36_B      L    36_B     1.326     0    0.018   1.035     4.252   75.119   70.714
LGA    L    37_B      L    37_B     2.290     0    0.058   0.119     3.681   72.976   63.393
LGA    P    38_B      P    38_B     2.007     0    0.058   0.390     2.472   70.952   69.456
LGA    G    39_B      G    39_B     0.407     0    0.039   0.039     1.031   95.357   95.357
LGA    I    40_B      I    40_B     0.873     0    0.113   0.639     2.844   88.214   81.786
LGA    K    41_B      K    41_B     0.755     0    0.042   0.581     2.259   90.476   85.608
LGA    I    42_B      I    42_B     1.180     0    0.027   1.145     2.678   83.690   75.357
LGA    K    43_B      K    43_B     1.496     0    0.029   0.857     2.774   81.429   72.275
LGA    T    44_B      T    44_B     0.889     0    0.026   1.188     3.449   85.952   77.143
LGA    L    45_B      L    45_B     1.091     0    0.048   0.078     1.546   81.548   81.488
LGA    V    46_B      V    46_B     0.856     0    0.053   1.232     3.891   90.476   78.776
LGA    Y    47_B      Y    47_B     0.585     0    0.070   1.239     5.210   92.857   72.183
LGA    G    48_B      G    48_B     1.432     0    0.172   0.172     2.026   75.119   75.119
LGA    E    49_B      E    49_B     2.897     0    0.106   0.356     6.298   60.952   44.339
LGA    L    50_B      L    50_B     0.649     0    0.117   0.932     3.530   92.976   82.619
LGA    T    51_B      T    51_B     0.209     0    0.028   1.099     2.413  100.000   89.932
LGA    L    52_B      L    52_B     0.791     0    0.088   1.293     4.043   88.214   77.202
LGA    M    53_B      M    53_B     0.722     0    0.058   0.588     2.565   90.476   84.048
LGA    T    54_B      T    54_B     0.525     0    0.044   1.148     2.786   92.857   83.401
LGA    E    55_B      E    55_B     0.358     0    0.037   0.590     2.233  100.000   93.968
LGA    F    56_B      F    56_B     0.288     0    0.069   0.083     1.243  100.000   92.338
LGA    V    57_B      V    57_B     0.401     0    0.096   0.124     0.975  100.000   95.918
LGA    M    58_B      M    58_B     0.305     0    0.023   1.125     4.227  100.000   84.405
LGA    D    59_B      D    59_B     0.364     0    0.110   0.553     1.598  100.000   93.095
LGA    K    60_B      K    60_B     0.412     0    0.033   0.651     1.620   95.238   87.619
LGA    G    61_B      G    61_B     1.421     0    0.094   0.094     1.713   79.286   79.286
LGA    S    62_B      S    62_B     1.456     0    0.117   0.258     1.949   77.143   75.714
LGA    S    63_B      S    63_B     1.138     0    0.021   0.113     1.552   81.429   80.000
LGA    L    64_B      L    64_B     1.197     0    0.052   0.697     3.403   81.429   75.357
LGA    P    65_B      P    65_B     0.998     0    0.075   0.129     1.132   88.214   89.184
LGA    D    66_B      D    66_B     1.078     0    0.039   1.235     3.441   85.952   79.762
LGA    H    67_B      H    67_B     0.796     0    0.061   0.234     1.143   90.476   87.762
LGA    T    68_B      T    68_B     0.919     0    0.074   1.156     3.407   90.476   82.177
LGA    H    69_B      H    69_B     1.353     0    0.103   0.273     1.465   81.429   85.952
LGA    P    70_B      P    70_B     1.487     0    0.354   0.602     3.011   71.429   70.884
LGA    Y    71_B      Y    71_B     0.693     0    0.045   0.150     1.114   88.214   88.968
LGA    E    72_B      E    72_B     0.808     0    0.069   1.046     3.156   90.476   81.164
LGA    Q    73_B      Q    73_B     1.016     0    0.130   0.199     1.385   85.952   87.460
LGA    T    74_B      T    74_B     0.613     0    0.076   1.057     2.349   88.214   82.993
LGA    G    75_B      G    75_B     0.997     0    0.093   0.093     1.247   88.214   88.214
LGA    Y    76_B      Y    76_B     0.523     0    0.047   0.257     1.236   90.476   89.008
LGA    L    77_B      L    77_B     0.532     0    0.025   0.260     0.779   90.476   90.476
LGA    V    78_B      V    78_B     0.547     0    0.045   0.079     0.669   90.476   90.476
LGA    S    79_B      S    79_B     0.339     0    0.030   0.063     0.412  100.000  100.000
LGA    G    80_B      G    80_B     0.384     0    0.087   0.087     1.043   92.976   92.976
LGA    K    81_B      K    81_B     0.685     0    0.124   0.739     2.611   90.595   78.148
LGA    I    82_B      I    82_B     0.773     0    0.065   1.127     2.956   90.476   80.774
LGA    I    83_B      I    83_B     0.256     0    0.068   0.627     1.939  100.000   95.417
LGA    L    84_B      L    84_B     0.367     0    0.092   0.247     2.044   97.619   89.702
LGA    Y    85_B      Y    85_B     0.362     0    0.075   1.317     8.454   97.619   60.040
LGA    I    86_B      I    86_B     0.212     0    0.018   1.039     2.376  100.000   86.786
LGA    E    87_B      E    87_B     0.636     0    0.597   1.228     4.485   84.524   69.524
LGA    D    88_B      D    88_B     1.625     0    0.150   0.856     6.232   81.667   57.679
LGA    K    89_B      K    89_B     0.681     0    0.070   1.212     5.968   92.857   74.021
LGA    K    90_B      K    90_B     0.279     0    0.093   0.962     5.020   97.619   75.291
LGA    Q    91_B      Q    91_B     0.373     0    0.077   1.209     3.970  100.000   82.434
LGA    Q    92_B      Q    92_B     0.247     0    0.058   0.993     3.462  100.000   82.751
LGA    I    93_B      I    93_B     0.497     0    0.046   1.022     2.522  100.000   85.655
LGA    M    94_B      M    94_B     0.501     0    0.052   1.021     3.235   97.619   84.583
LGA    A    95_B      A    95_B     0.416     0    0.059   0.061     0.456  100.000  100.000
LGA    G    96_B      G    96_B     0.381     0    0.056   0.056     0.415  100.000  100.000
LGA    D    97_B      D    97_B     0.420     0    0.060   0.143     1.062  100.000   92.976
LGA    S    98_B      S    98_B     0.871     0    0.025   0.680     2.609   90.476   83.413
LGA    W    99_B      W    99_B     1.211     0    0.030   1.701     7.930   81.429   56.871
LGA    C   100_B      C   100_B     1.151     0    0.085   0.084     1.301   81.429   81.429
LGA    I   101_B      I   101_B     0.794     0    0.048   1.158     3.910   90.476   76.190
LGA    P   102_B      P   102_B     1.154     0    0.049   0.111     1.254   83.690   84.014
LGA    K   103_B      K   103_B     1.607     0    0.042   1.065     3.020   79.286   72.275
LGA    N   104_B      N   104_B     1.268     0    0.103   1.272     5.699   81.429   65.238
LGA    V   105_B      V   105_B     0.682     0    0.079   0.114     0.802   90.476   90.476
LGA    H   106_B      H   106_B     0.498     0    0.033   0.297     1.705   97.619   88.952
LGA    H   107_B      H   107_B     0.704     0    0.041   0.078     0.781   90.476   90.476
LGA    H   108_B      H   108_B     0.694     0    0.077   1.147     4.993   90.476   68.524
LGA    A   109_B      A   109_B     1.316     0    0.020   0.039     1.386   81.429   81.429
LGA    E   110_B      E   110_B     1.351     0    0.065   0.156     1.908   81.429   80.476
LGA    I   111_B      I   111_B     1.042     0    0.075   1.148     3.792   85.952   74.167
LGA    L   112_B      L   112_B     0.694     0    0.068   0.094     1.715   95.238   87.321
LGA    E   113_B      E   113_B     0.429     0    0.084   1.108     4.119  100.000   82.222
LGA    N   114_B      N   114_B     0.739     0    0.143   1.219     2.817   90.476   79.881
LGA    S   115_B      S   115_B     0.566     0    0.099   0.114     1.106   97.619   93.730
LGA    V   116_B      V   116_B     0.429     0    0.031   1.064     2.695   95.238   84.762
LGA    A   117_B      A   117_B     0.703     0    0.038   0.040     0.741   90.476   90.476
LGA    V   118_B      V   118_B     0.785     0    0.029   0.108     1.102   90.476   89.184
LGA    E   119_B      E   119_B     0.748     0    0.046   0.851     4.228   92.857   77.196
LGA    V   120_B      V   120_B     0.893     0    0.038   0.115     1.684   90.476   85.374
LGA    F   121_B      F   121_B     0.719     0    0.029   0.133     0.858   92.857   91.342
LGA    A   122_B      A   122_B     0.334     0    0.037   0.052     0.560   95.238   96.190
LGA    P   123_B      P   123_B     0.362     0    0.072   0.072     0.739   95.238   95.918
LGA    T   124_B      T   124_B     1.480     0    0.185   1.104     4.433   81.429   71.497
LGA    R   125_B      R   125_B     0.981     0    0.140   1.083     2.933   88.214   80.130
LGA    E   126_B      E   126_B     1.136     0    0.040   0.759     3.329   81.429   74.233
LGA    E   127_B      E   127_B     1.190     0    0.072   0.908     2.996   85.952   75.185
LGA    Y   128_B      Y   128_B     0.843     0    0.193   0.464     3.141   79.643   75.516
LGA    I   129_B      I   129_B     1.597     0    0.607   1.198     4.613   62.619   60.833
LGA    K   130_B      K   130_B     1.475     0    0.709   0.792     2.720   79.524   77.937
LGA    Y   131_B      Y   131_B     5.833     0    0.606   0.927    14.796   17.262    6.310
LGA    L   132_B      L   132_B     8.436     0    0.100   1.388    13.419   13.571    6.845
LGA    D   133_B      D   133_B     8.428     0    0.298   1.453    11.260    1.905    1.250
LGA    R   134_B      R   134_B    10.381     0    0.718   1.136    14.437    0.714    0.260
LGA    T   135_B      T   135_B    11.554     0    0.707   1.322    12.192    0.000    0.000
LGA    T   136_B      T   136_B    13.118     0    0.690   1.450    17.676    0.000    0.000
LGA    V   137_B      V   137_B    19.068     0    0.090   0.139    22.742    0.000    0.000
LGA    V   138_B      V   138_B    23.258     0    0.109   0.181    26.211    0.000    0.000

# 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):     3.737          3.800                  4.245           79.240   71.970

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    106    1.19    83.898    87.964     8.237

LGA_LOCAL      RMSD:   1.187  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.968  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   3.737  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.440691 * X  +   0.363799 * Y  +   0.820635 * Z  + -81.924789
  Y_new =   0.183598 * X  +  -0.931398 * Y  +   0.314308 * Z  +  67.681953
  Z_new =   0.878683 * X  +   0.012154 * Y  +  -0.477252 * Z  + -27.966290 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.394746 -1.073096  3.116131   [DEG:   22.6173  -61.4839  178.5411 ]
ZXZ:  1.936567  2.068321  1.556965   [DEG:  110.9571  118.5061   89.2075 ]
 
# END of job
