
#######################################################
#                                                     #
#                        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       3.21     3.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   113      21_B - 133_B       1.93     3.36
  LONGEST_CONTINUOUS_SEGMENT:   113      22_B - 134_B       1.98     3.33
  LCS_AVERAGE:     94.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98      32_B - 129_B       0.98     3.50
  LCS_AVERAGE:     71.51

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    3    4    4    5    5    7    9   13   86  110  112  113  114  114  115  116  116  116  116 
LCS_GDT     A    22_B     A    22_B      3  113  118      3    3    3    4   24   42   66   97  102  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     S    23_B     S    23_B      3  113  118      3    6   12   34   75   87  101  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     M    24_B     M    24_B      6  113  118     31   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Y    25_B     Y    25_B      6  113  118     20   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     A    26_B     A    26_B      6  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     K    27_B     K    27_B      6  113  118     34   74   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     H    28_B     H    28_B      6  113  118     10   65   90  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     S    29_B     S    29_B      6  113  118      4   14   44  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     A    30_B     A    30_B      4  113  118      4    4    4    8   15   23   40   83   93  109  110  110  110  114  114  115  116  116  116  116 
LCS_GDT     Q    31_B     Q    31_B      4  113  118      4   12   19   40   54   67   97  103  108  109  110  110  112  114  114  115  116  116  116  116 
LCS_GDT     N    32_B     N    32_B     98  113  118     18   77   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Y    33_B     Y    33_B     98  113  118     18   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Q    34_B     Q    34_B     98  113  118     32   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     P    35_B     P    35_B     98  113  118     25   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     L    36_B     L    36_B     98  113  118     18   76   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     L    37_B     L    37_B     98  113  118      3   28   61  101  104  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     P    38_B     P    38_B     98  113  118     18   42   87  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     G    39_B     G    39_B     98  113  118     43   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     I    40_B     I    40_B     98  113  118     18   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     K    41_B     K    41_B     98  113  118     31   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     I    42_B     I    42_B     98  113  118     31   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     K    43_B     K    43_B     98  113  118     14   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     T    44_B     T    44_B     98  113  118     17   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     L    45_B     L    45_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     V    46_B     V    46_B     98  113  118     35   77   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Y    47_B     Y    47_B     98  113  118     28   71   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     G    48_B     G    48_B     98  113  118     14   65   92  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     E    49_B     E    49_B     98  113  118      3   21   59   93  104  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     L    50_B     L    50_B     98  113  118     30   77   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     T    51_B     T    51_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     L    52_B     L    52_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     M    53_B     M    53_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     T    54_B     T    54_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     E    55_B     E    55_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     F    56_B     F    56_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     V    57_B     V    57_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     M    58_B     M    58_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     D    59_B     D    59_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     K    60_B     K    60_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     G    61_B     G    61_B     98  113  118      7   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     S    62_B     S    62_B     98  113  118     29   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     S    63_B     S    63_B     98  113  118     29   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     L    64_B     L    64_B     98  113  118     29   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     P    65_B     P    65_B     98  113  118     10   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     D    66_B     D    66_B     98  113  118     43   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     H    67_B     H    67_B     98  113  118     33   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     T    68_B     T    68_B     98  113  118     35   75   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     H    69_B     H    69_B     98  113  118     29   74   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     P    70_B     P    70_B     98  113  118     29   71   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Y    71_B     Y    71_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     E    72_B     E    72_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Q    73_B     Q    73_B     98  113  118     38   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     T    74_B     T    74_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     G    75_B     G    75_B     98  113  118     24   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Y    76_B     Y    76_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     L    77_B     L    77_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     V    78_B     V    78_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     S    79_B     S    79_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     G    80_B     G    80_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     K    81_B     K    81_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     I    82_B     I    82_B     98  113  118     25   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     I    83_B     I    83_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     L    84_B     L    84_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Y    85_B     Y    85_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     I    86_B     I    86_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     E    87_B     E    87_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     D    88_B     D    88_B     98  113  118     10   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     K    89_B     K    89_B     98  113  118     45   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     K    90_B     K    90_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Q    91_B     Q    91_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Q    92_B     Q    92_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     I    93_B     I    93_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     M    94_B     M    94_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     A    95_B     A    95_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     G    96_B     G    96_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     D    97_B     D    97_B     98  113  118     29   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     S    98_B     S    98_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     W    99_B     W    99_B     98  113  118     28   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     C   100_B     C   100_B     98  113  118     24   77   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     I   101_B     I   101_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     P   102_B     P   102_B     98  113  118     29   75   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     K   103_B     K   103_B     98  113  118     29   71   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     N   104_B     N   104_B     98  113  118     29   74   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     V   105_B     V   105_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     H   106_B     H   106_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     H   107_B     H   107_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     H   108_B     H   108_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     A   109_B     A   109_B     98  113  118     29   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     E   110_B     E   110_B     98  113  118     10   54   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     I   111_B     I   111_B     98  113  118      5   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     L   112_B     L   112_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     E   113_B     E   113_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     N   114_B     N   114_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     S   115_B     S   115_B     98  113  118     43   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     V   116_B     V   116_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     A   117_B     A   117_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     V   118_B     V   118_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     E   119_B     E   119_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     V   120_B     V   120_B     98  113  118     36   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     F   121_B     F   121_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     A   122_B     A   122_B     98  113  118     47   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     P   123_B     P   123_B     98  113  118     35   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     T   124_B     T   124_B     98  113  118      3   46   90  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     R   125_B     R   125_B     98  113  118     15   61   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     E   126_B     E   126_B     98  113  118     14   46   86  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     E   127_B     E   127_B     98  113  118      5   46   90  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Y   128_B     Y   128_B     98  113  118     36   79   93  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     I   129_B     I   129_B     98  113  118      5   63   90  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     K   130_B     K   130_B     94  113  118      7   55   84  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     Y   131_B     Y   131_B     94  113  118      5   46   84  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     L   132_B     L   132_B     94  113  118      7   55   84  101  105  107  107  108  108  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     D   133_B     D   133_B      3  113  118      3    3    3    3   30   47   57   75  108  109  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     R   134_B     R   134_B      3  113  118      3    3    3   10   30   64   83   93  100  107  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     T   135_B     T   135_B      3  112  118      3    3    4    4    5   58   75   94  102  110  112  112  113  114  114  115  116  116  116  116 
LCS_GDT     T   136_B     T   136_B      3   99  118      3    3    5    7   14   27   49   64   79   94  100  104  111  114  114  114  116  116  116  116 
LCS_GDT     V   137_B     V   137_B      3    4  118      3    3    4    4    5    6   12   16   22   35   50   72   87  100  106  113  115  115  115  116 
LCS_GDT     V   138_B     V   138_B      3    4  118      3    3    4    4    5    6    7    8   10   17   23   25   28   52   61   68   77   97  107  113 
LCS_AVERAGE  LCS_A:  88.53  (  71.51   94.09  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     47     79     93    101    105    107    107    108    108    110    112    112    113    114    114    115    116    116    116    116 
GDT PERCENT_AT  39.83  66.95  78.81  85.59  88.98  90.68  90.68  91.53  91.53  93.22  94.92  94.92  95.76  96.61  96.61  97.46  98.31  98.31  98.31  98.31
GDT RMS_LOCAL    0.34   0.61   0.75   0.99   1.06   1.12   1.12   1.24   1.24   1.56   1.86   1.86   1.96   2.05   2.05   2.19   2.43   2.43   2.43   2.43
GDT RMS_ALL_AT   3.51   3.61   3.56   3.40   3.42   3.42   3.42   3.39   3.39   3.32   3.27   3.27   3.27   3.28   3.28   3.30   3.26   3.26   3.26   3.26

# Checking swapping
#   possible swapping detected:  Y    25_B      Y    25_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  F    56_B      F    56_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:  F   121_B      F   121_B
#   possible swapping detected:  E   126_B      E   126_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     7.099     0    0.125   1.107    10.881   17.976   10.238
LGA    A    22_B      A    22_B     6.446     0    0.351   0.351     8.023   18.333   15.619
LGA    S    23_B      S    23_B     5.469     0    0.094   0.738     8.929   32.619   23.413
LGA    M    24_B      M    24_B     1.757     0    0.612   0.904     9.581   70.833   42.321
LGA    Y    25_B      Y    25_B     1.154     0    0.057   0.318     3.304   85.952   72.063
LGA    A    26_B      A    26_B     0.749     0    0.059   0.103     1.349   90.476   88.667
LGA    K    27_B      K    27_B     0.608     0    0.084   1.133     3.813   88.333   74.021
LGA    H    28_B      H    28_B     1.595     0    0.563   0.577     3.782   69.286   63.905
LGA    S    29_B      S    29_B     2.559     0    0.662   0.710     6.253   42.619   42.857
LGA    A    30_B      A    30_B     8.520     0    0.275   0.272    10.664    6.310    5.048
LGA    Q    31_B      Q    31_B     6.436     0    0.121   1.155    11.253   31.190   14.815
LGA    N    32_B      N    32_B     1.740     0    0.573   0.688     3.916   67.619   68.690
LGA    Y    33_B      Y    33_B     1.475     0    0.130   1.347     8.883   72.976   50.556
LGA    Q    34_B      Q    34_B     1.260     0    0.032   1.088     2.412   81.429   79.735
LGA    P    35_B      P    35_B     1.567     0    0.104   0.110     2.151   77.143   72.993
LGA    L    36_B      L    36_B     1.509     0    0.056   0.990     3.896   66.905   67.381
LGA    L    37_B      L    37_B     2.771     0    0.059   0.130     4.714   64.881   51.964
LGA    P    38_B      P    38_B     2.416     0    0.097   0.163     4.030   66.905   56.871
LGA    G    39_B      G    39_B     0.553     0    0.051   0.051     1.247   90.595   90.595
LGA    I    40_B      I    40_B     1.085     0    0.102   0.647     3.146   79.286   75.357
LGA    K    41_B      K    41_B     1.055     0    0.043   1.207     3.489   88.214   81.111
LGA    I    42_B      I    42_B     1.143     0    0.021   1.188     2.969   81.429   75.238
LGA    K    43_B      K    43_B     1.452     0    0.051   1.169     4.736   83.690   67.566
LGA    T    44_B      T    44_B     1.064     0    0.051   0.136     1.680   85.952   82.789
LGA    L    45_B      L    45_B     0.812     0    0.037   1.019     2.832   90.476   80.774
LGA    V    46_B      V    46_B     0.723     0    0.060   0.181     1.616   90.476   84.150
LGA    Y    47_B      Y    47_B     0.964     0    0.043   1.257     5.624   90.476   69.008
LGA    G    48_B      G    48_B     1.517     0    0.207   0.207     2.005   72.976   72.976
LGA    E    49_B      E    49_B     2.924     0    0.120   0.590     4.876   60.952   48.466
LGA    L    50_B      L    50_B     0.611     0    0.133   1.469     3.782   92.976   77.560
LGA    T    51_B      T    51_B     0.419     0    0.054   1.122     2.996   97.619   87.279
LGA    L    52_B      L    52_B     0.699     0    0.055   1.328     3.694   88.214   77.976
LGA    M    53_B      M    53_B     0.641     0    0.054   0.888     3.186   90.476   80.119
LGA    T    54_B      T    54_B     0.686     0    0.064   1.219     2.660   92.857   82.313
LGA    E    55_B      E    55_B     0.404     0    0.083   0.254     2.216   95.238   85.820
LGA    F    56_B      F    56_B     0.301     0    0.087   0.288     1.131  100.000   94.848
LGA    V    57_B      V    57_B     0.405     0    0.095   0.162     0.913   97.619   95.918
LGA    M    58_B      M    58_B     0.186     0    0.031   1.037     4.847  100.000   86.845
LGA    D    59_B      D    59_B     0.325     0    0.106   0.440     1.431   97.619   92.976
LGA    K    60_B      K    60_B     0.340     0    0.039   1.306     5.802   95.238   77.778
LGA    G    61_B      G    61_B     1.182     0    0.080   0.080     1.472   83.690   83.690
LGA    S    62_B      S    62_B     1.324     0    0.098   0.135     1.836   79.286   80.000
LGA    S    63_B      S    63_B     1.050     0    0.021   0.646     2.863   81.429   77.381
LGA    L    64_B      L    64_B     1.076     0    0.071   1.212     3.295   83.690   78.690
LGA    P    65_B      P    65_B     1.481     0    0.075   0.104     1.837   81.429   78.980
LGA    D    66_B      D    66_B     0.745     0    0.051   1.239     4.185   90.476   77.381
LGA    H    67_B      H    67_B     0.855     0    0.045   1.414     6.075   90.476   64.000
LGA    T    68_B      T    68_B     1.049     0    0.065   1.138     3.495   83.690   77.007
LGA    H    69_B      H    69_B     1.344     0    0.086   1.417     4.790   81.429   68.619
LGA    P    70_B      P    70_B     1.547     0    0.354   0.349     2.965   68.929   70.612
LGA    Y    71_B      Y    71_B     0.777     0    0.053   0.165     2.229   90.476   81.667
LGA    E    72_B      E    72_B     0.727     0    0.055   0.462     2.475   90.476   86.614
LGA    Q    73_B      Q    73_B     0.946     0    0.150   0.204     1.381   88.214   88.466
LGA    T    74_B      T    74_B     0.582     0    0.082   1.091     2.539   90.595   83.265
LGA    G    75_B      G    75_B     0.786     0    0.085   0.085     1.150   88.214   88.214
LGA    Y    76_B      Y    76_B     0.491     0    0.049   0.263     1.560   95.238   88.333
LGA    L    77_B      L    77_B     0.482     0    0.034   0.840     3.765   97.619   82.738
LGA    V    78_B      V    78_B     0.493     0    0.036   0.086     0.741   97.619   94.558
LGA    S    79_B      S    79_B     0.283     0    0.036   0.572     2.328  100.000   94.127
LGA    G    80_B      G    80_B     0.331     0    0.070   0.070     0.888   97.619   97.619
LGA    K    81_B      K    81_B     0.496     0    0.095   0.962     3.155   92.976   82.169
LGA    I    82_B      I    82_B     0.955     0    0.085   1.464     3.045   90.476   77.917
LGA    I    83_B      I    83_B     0.505     0    0.054   1.475     4.545   92.857   75.060
LGA    L    84_B      L    84_B     0.406     0    0.072   0.212     1.732   97.619   91.845
LGA    Y    85_B      Y    85_B     0.385     0    0.068   1.279     8.605   97.619   59.841
LGA    I    86_B      I    86_B     0.254     0    0.026   0.127     0.447  100.000  100.000
LGA    E    87_B      E    87_B     0.493     0    0.581   1.243     4.655   85.119   69.153
LGA    D    88_B      D    88_B     1.221     0    0.157   0.812     5.542   85.952   62.679
LGA    K    89_B      K    89_B     0.568     0    0.071   1.058     4.745   92.857   71.693
LGA    K    90_B      K    90_B     0.241     0    0.080   1.126     6.011   97.619   74.286
LGA    Q    91_B      Q    91_B     0.240     0    0.072   1.277     5.884  100.000   75.503
LGA    Q    92_B      Q    92_B     0.296     0    0.053   0.875     4.417  100.000   80.106
LGA    I    93_B      I    93_B     0.479     0    0.048   1.202     3.015  100.000   82.679
LGA    M    94_B      M    94_B     0.464     0    0.041   0.997     3.118  100.000   85.774
LGA    A    95_B      A    95_B     0.337     0    0.065   0.066     0.519   97.619   98.095
LGA    G    96_B      G    96_B     0.627     0    0.081   0.081     0.627   92.857   92.857
LGA    D    97_B      D    97_B     0.751     0    0.073   1.084     2.752   90.476   81.845
LGA    S    98_B      S    98_B     0.679     0    0.025   0.704     2.794   92.857   86.508
LGA    W    99_B      W    99_B     0.847     0    0.025   1.711     5.561   90.476   62.823
LGA    C   100_B      C   100_B     0.908     0    0.105   0.711     4.077   88.214   78.571
LGA    I   101_B      I   101_B     0.563     0    0.044   0.619     2.090   88.214   87.321
LGA    P   102_B      P   102_B     1.213     0    0.044   0.108     1.353   83.690   84.014
LGA    K   103_B      K   103_B     1.559     0    0.044   1.301     3.539   79.286   72.434
LGA    N   104_B      N   104_B     1.375     0    0.068   0.970     3.256   81.429   75.357
LGA    V   105_B      V   105_B     0.659     0    0.042   0.105     0.809   90.476   90.476
LGA    H   106_B      H   106_B     0.415     0    0.033   1.138     2.380  100.000   87.429
LGA    H   107_B      H   107_B     0.437     0    0.067   0.071     0.792  100.000   94.286
LGA    H   108_B      H   108_B     0.479     0    0.079   1.154     2.661   97.619   87.571
LGA    A   109_B      A   109_B     1.015     0    0.037   0.040     1.492   81.429   81.429
LGA    E   110_B      E   110_B     1.591     0    0.101   0.653     2.449   79.286   79.683
LGA    I   111_B      I   111_B     0.964     0    0.053   1.255     4.149   88.214   74.524
LGA    L   112_B      L   112_B     0.452     0    0.102   0.166     1.370   92.976   91.786
LGA    E   113_B      E   113_B     0.606     0    0.100   1.136     3.879   92.857   76.931
LGA    N   114_B      N   114_B     0.695     0    0.202   1.231     3.776   88.214   75.179
LGA    S   115_B      S   115_B     0.446     0    0.082   0.715     1.805  100.000   93.889
LGA    V   116_B      V   116_B     0.313     0    0.043   1.105     2.912   97.619   87.483
LGA    A   117_B      A   117_B     0.393     0    0.048   0.048     0.433  100.000  100.000
LGA    V   118_B      V   118_B     0.392     0    0.024   1.171     2.728  100.000   87.755
LGA    E   119_B      E   119_B     0.373     0    0.079   0.599     2.644   97.619   90.000
LGA    V   120_B      V   120_B     0.570     0    0.050   1.081     2.750   90.476   82.313
LGA    F   121_B      F   121_B     0.656     0    0.027   0.169     0.749   95.238   92.208
LGA    A   122_B      A   122_B     0.411     0    0.029   0.040     0.790   92.857   92.381
LGA    P   123_B      P   123_B     0.493     0    0.033   0.173     1.007   95.238   91.905
LGA    T   124_B      T   124_B     1.554     0    0.162   1.118     4.364   77.143   69.048
LGA    R   125_B      R   125_B     1.277     0    0.154   0.870     2.618   83.690   81.732
LGA    E   126_B      E   126_B     1.930     0    0.034   1.320     6.864   72.857   47.407
LGA    E   127_B      E   127_B     1.672     0    0.055   0.778     2.133   79.405   73.069
LGA    Y   128_B      Y   128_B     0.369     0    0.197   0.759     4.924   88.452   66.270
LGA    I   129_B      I   129_B     1.580     0    0.050   1.373     4.190   69.048   61.012
LGA    K   130_B      K   130_B     2.629     0    0.216   1.137     4.846   62.857   53.810
LGA    Y   131_B      Y   131_B     2.555     0    0.224   0.659     3.417   55.357   59.087
LGA    L   132_B      L   132_B     2.506     0    0.603   1.456     6.182   61.190   50.893
LGA    D   133_B      D   133_B     7.312     0    0.560   1.211    12.663   10.357    5.179
LGA    R   134_B      R   134_B     8.951     0    0.481   1.405    12.088    2.857    1.385
LGA    T   135_B      T   135_B     8.198     0    0.720   1.325    11.906    2.976   12.381
LGA    T   136_B      T   136_B    12.391     0    0.614   1.437    13.269    0.000    0.000
LGA    V   137_B      V   137_B    14.762     0    0.102   0.141    17.379    0.000    0.000
LGA    V   138_B      V   138_B    20.248     0    0.133   0.851    21.978    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):     3.212          3.261                  3.695           79.994   71.675

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    108    1.24    85.381    89.579     8.078

LGA_LOCAL      RMSD:   1.237  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.387  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   3.212  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.438040 * X  +   0.477596 * Y  +   0.761592 * Z  + -85.753113
  Y_new =   0.308276 * X  +  -0.875631 * Y  +   0.371801 * Z  +  61.416309
  Z_new =   0.844444 * X  +   0.071917 * Y  +  -0.530793 * Z  + -30.867710 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.613247 -1.005527  3.006923   [DEG:   35.1364  -57.6125  172.2840 ]
ZXZ:  2.024950  2.130333  1.485836   [DEG:  116.0211  122.0591   85.1321 ]
 
# END of job
