
#######################################################
#                                                     #
#                        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       2.33     2.33
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      23_B - 136_B       1.98     2.37
  LONGEST_CONTINUOUS_SEGMENT:   114      24_B - 137_B       1.94     2.37
  LCS_AVERAGE:     96.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      31_B - 129_B       0.96     2.54
  LONGEST_CONTINUOUS_SEGMENT:    99      32_B - 130_B       0.95     2.49
  LONGEST_CONTINUOUS_SEGMENT:    99      33_B - 131_B       0.98     2.46
  LCS_AVERAGE:     73.01

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  113  118      3    3    3    3   34   55   78   98  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     A    22_B     A    22_B      3  113  118      3    3   15   25   35   41   49   56   66  107  111  112  114  117  118  118  118  118  118  118 
LCS_GDT     S    23_B     S    23_B      3  114  118      3    3    3   16   27   39   48   78   83  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B      6  114  118      4   11   32   84  102  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B      6  114  118      4   11   28   94  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B      6  114  118      4   63   91   98  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B      6  114  118     16   72   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B      6  114  118      3   11   80   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B      6  114  118      3   39   84   97  101  105  107  108  109  110  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B      3  114  118      3    3    4    7    7   83   98  108  109  110  111  113  116  117  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B     99  114  118      3    5   63   90  101  104  107  108  109  110  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B     99  114  118      6   33   84   99  101  105  107  108  109  110  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B     99  114  118     38   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B     99  114  118     40   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B     99  114  118     45   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B     99  114  118     40   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     L    37_B     L    37_B     99  114  118     40   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B     99  114  118     12   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B     99  114  118     26   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B     99  114  118     31   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B     99  114  118     45   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B     99  114  118     19   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B     99  114  118     19   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B     99  114  118     22   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B     99  114  118     40   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B     99  114  118     40   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B     99  114  118     27   74   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B     99  114  118     33   80   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     E    49_B     E    49_B     99  114  118     18   69   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B     99  114  118     19   72   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B     99  114  118     22   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B     99  114  118     14   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B     99  114  118     14   78   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B     99  114  118     22   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B     99  114  118     16   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B     99  114  118     22   80   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B     99  114  118     39   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B     99  114  118     14   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B     99  114  118     31   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B     99  114  118      3   18   60   99  101  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B     99  114  118     31   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B     99  114  118     31   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B     99  114  118     42   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B     99  114  118     24   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B     99  114  118     16   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B     99  114  118     45   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B     99  114  118     31   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B     99  114  118     45   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B     99  114  118     22   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     K   103_B     K   103_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B     99  114  118      5   25   56   90  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B     99  114  118     22   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B     99  114  118     18   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B     99  114  118     18   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B     99  114  118     38   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B     99  114  118     21   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B     99  114  118     28   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B     99  114  118     46   82   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B     99  114  118     25   78   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B     99  114  118      5   53   93   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B     99  114  118      8   62   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B     99  114  118      8   62   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B     99  114  118      8   61   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B     99  114  118     23   74   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B     99  114  118     23   72   94   99  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B     99  114  118      4   26   77   97  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B     99  114  118      4    9   38   51  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B     88  114  118      3   19   50   95  103  105  107  108  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B      7  114  118      3    6    7   17   22   38  100  105  107  111  113  114  116  117  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B      5  114  118      3    4    5    6    6   12   90  102  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B      5  114  118      3    4    5    6    6    7   10   17   47  100  112  115  116  117  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B      5  114  118      3    4    5   32   59   88  105  106  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B      5  114  118      3    3    5    6   45   53   85  104  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B      4  109  118      3    9   18   28   51   68   89  106  109  111  113  115  116  117  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  89.86  (  73.01   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     46     82     94     99    103    105    107    108    109    111    113    115    116    117    118    118    118    118    118    118 
GDT PERCENT_AT  38.98  69.49  79.66  83.90  87.29  88.98  90.68  91.53  92.37  94.07  95.76  97.46  98.31  99.15 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.60   0.80   0.90   1.06   1.11   1.19   1.25   1.36   1.88   1.97   2.07   2.10   2.20   2.33   2.33   2.33   2.33   2.33   2.33
GDT RMS_ALL_AT   2.50   2.65   2.48   2.51   2.42   2.44   2.47   2.45   2.43   2.33   2.33   2.33   2.34   2.33   2.33   2.33   2.33   2.33   2.33   2.33

# 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     6.647     0    0.516   0.747     8.488   14.524   12.440
LGA    A    22_B      A    22_B     9.230     0    0.272   0.275    11.585    2.976    2.381
LGA    S    23_B      S    23_B     8.787     0    0.624   0.647    12.026    7.738    5.159
LGA    M    24_B      M    24_B     3.988     0    0.634   1.191     5.268   37.500   41.667
LGA    Y    25_B      Y    25_B     2.875     0    0.263   0.329     7.976   67.619   39.167
LGA    A    26_B      A    26_B     2.018     0    0.059   0.074     2.629   66.905   66.476
LGA    K    27_B      K    27_B     1.103     0    0.116   1.173     6.201   85.952   67.884
LGA    H    28_B      H    28_B     1.797     0    0.668   1.136     6.690   67.143   47.524
LGA    S    29_B      S    29_B     3.152     0    0.680   0.816     6.042   52.024   41.905
LGA    A    30_B      A    30_B     5.331     0    0.325   0.306     7.708   29.048   24.667
LGA    Q    31_B      Q    31_B     3.531     0    0.492   1.018     8.620   52.024   30.476
LGA    N    32_B      N    32_B     2.479     0    0.404   1.060     3.523   66.905   62.202
LGA    Y    33_B      Y    33_B     1.040     0    0.102   0.174     1.401   81.429   84.444
LGA    Q    34_B      Q    34_B     1.076     0    0.058   0.894     2.596   85.952   77.937
LGA    P    35_B      P    35_B     0.831     0    0.041   0.256     1.582   90.476   86.667
LGA    L    36_B      L    36_B     1.027     0    0.024   0.219     1.219   83.690   87.143
LGA    L    37_B      L    37_B     0.993     0    0.026   0.611     2.539   88.214   84.048
LGA    P    38_B      P    38_B     1.335     0    0.087   0.095     1.693   81.429   78.980
LGA    G    39_B      G    39_B     0.682     0    0.039   0.039     0.860   92.857   92.857
LGA    I    40_B      I    40_B     0.719     0    0.042   0.602     1.663   90.476   88.274
LGA    K    41_B      K    41_B     0.571     0    0.016   0.933     3.628   90.476   82.593
LGA    I    42_B      I    42_B     1.163     0    0.073   1.167     2.656   83.690   76.369
LGA    K    43_B      K    43_B     1.573     0    0.086   0.953     2.929   79.286   73.069
LGA    T    44_B      T    44_B     1.406     0    0.057   0.121     1.727   77.143   78.980
LGA    L    45_B      L    45_B     1.245     0    0.052   0.088     1.784   79.286   82.619
LGA    V    46_B      V    46_B     1.119     0    0.192   1.086     3.274   88.214   79.592
LGA    Y    47_B      Y    47_B     1.010     0    0.280   0.910     5.300   88.333   70.675
LGA    G    48_B      G    48_B     0.649     0    0.110   0.110     1.155   88.214   88.214
LGA    E    49_B      E    49_B     1.491     0    0.060   0.395     2.574   75.119   72.169
LGA    L    50_B      L    50_B     1.152     0    0.008   0.101     2.277   85.952   78.452
LGA    T    51_B      T    51_B     0.337     0    0.138   1.119     2.629   92.976   84.626
LGA    L    52_B      L    52_B     0.493     0    0.051   0.668     2.072   95.238   89.643
LGA    M    53_B      M    53_B     0.590     0    0.040   0.825     2.117   90.476   86.131
LGA    T    54_B      T    54_B     0.658     0    0.125   1.127     3.303   92.857   82.381
LGA    E    55_B      E    55_B     0.496     0    0.069   0.634     2.589   97.619   91.005
LGA    F    56_B      F    56_B     0.336     0    0.053   0.250     1.962  100.000   88.355
LGA    V    57_B      V    57_B     0.451     0    0.039   0.106     0.705  100.000   97.279
LGA    M    58_B      M    58_B     0.517     0    0.093   0.899     4.677   88.214   80.833
LGA    D    59_B      D    59_B     0.503     0    0.025   0.448     1.719   97.619   90.714
LGA    K    60_B      K    60_B     0.710     0    0.014   0.504     2.943   90.476   84.762
LGA    G    61_B      G    61_B     1.098     0    0.026   0.026     1.260   83.690   83.690
LGA    S    62_B      S    62_B     0.931     0    0.036   0.133     1.180   85.952   87.460
LGA    S    63_B      S    63_B     1.352     0    0.063   0.101     1.710   81.429   78.571
LGA    L    64_B      L    64_B     1.237     0    0.094   1.114     3.103   83.690   78.690
LGA    P    65_B      P    65_B     1.402     0    0.062   0.098     2.222   81.429   76.599
LGA    D    66_B      D    66_B     0.552     0    0.052   0.468     1.467   88.214   89.405
LGA    H    67_B      H    67_B     0.986     0    0.053   0.202     1.204   90.476   87.762
LGA    T    68_B      T    68_B     0.935     0    0.122   1.068     3.232   83.810   74.830
LGA    H    69_B      H    69_B     0.141     0    0.045   1.113     6.225   97.619   65.476
LGA    P    70_B      P    70_B     0.532     0    0.047   0.052     0.618   97.619   95.918
LGA    Y    71_B      Y    71_B     0.578     0    0.068   0.119     1.059   90.476   91.310
LGA    E    72_B      E    72_B     0.756     0    0.052   0.867     2.871   90.476   76.508
LGA    Q    73_B      Q    73_B     1.242     0    0.122   1.072     3.432   83.690   75.185
LGA    T    74_B      T    74_B     0.718     0    0.016   1.027     3.064   90.476   82.109
LGA    G    75_B      G    75_B     0.503     0    0.045   0.045     0.698   92.857   92.857
LGA    Y    76_B      Y    76_B     0.512     0    0.033   0.259     1.310   97.619   92.937
LGA    L    77_B      L    77_B     0.475     0    0.069   0.289     1.305   97.619   94.107
LGA    V    78_B      V    78_B     0.696     0    0.088   1.114     2.261   90.476   83.129
LGA    S    79_B      S    79_B     0.733     0    0.112   0.543     1.889   90.476   87.540
LGA    G    80_B      G    80_B     0.557     0    0.022   0.022     0.557   95.238   95.238
LGA    K    81_B      K    81_B     0.278     0    0.047   0.811     4.009  100.000   80.423
LGA    I    82_B      I    82_B     0.226     0    0.021   0.062     0.599  100.000   97.619
LGA    I    83_B      I    83_B     0.321     0    0.084   0.619     2.017   97.619   90.833
LGA    L    84_B      L    84_B     0.215     0    0.068   0.145     1.076  100.000   96.488
LGA    Y    85_B      Y    85_B     0.486     0    0.070   0.079     1.146   95.238   89.802
LGA    I    86_B      I    86_B     0.359     0    0.015   0.082     0.599  100.000   98.810
LGA    E    87_B      E    87_B     0.402     0    0.620   0.848     2.739   91.190   87.143
LGA    D    88_B      D    88_B     2.574     0    0.084   1.110     7.254   66.905   43.512
LGA    K    89_B      K    89_B     1.191     0    0.111   1.003     5.475   85.952   68.042
LGA    K    90_B      K    90_B     0.937     0    0.028   0.222     1.293   88.214   87.460
LGA    Q    91_B      Q    91_B     0.627     0    0.073   1.083     2.906   95.238   84.021
LGA    Q    92_B      Q    92_B     0.418     0    0.042   0.574     1.442   95.238   93.757
LGA    I    93_B      I    93_B     0.412     0    0.010   0.141     0.542   97.619   96.429
LGA    M    94_B      M    94_B     0.662     0    0.098   0.668     1.797   90.476   83.869
LGA    A    95_B      A    95_B     0.787     0    0.033   0.039     1.219   88.214   86.857
LGA    G    96_B      G    96_B     1.113     0    0.047   0.047     1.208   83.690   83.690
LGA    D    97_B      D    97_B     0.773     0    0.030   0.207     1.008   90.476   89.345
LGA    S    98_B      S    98_B     0.670     0    0.031   0.053     0.759   90.476   90.476
LGA    W    99_B      W    99_B     0.727     0    0.075   0.095     0.908   90.476   91.837
LGA    C   100_B      C   100_B     0.910     0    0.082   0.091     1.097   88.214   88.968
LGA    I   101_B      I   101_B     0.375     0    0.060   0.412     0.853   97.619   95.238
LGA    P   102_B      P   102_B     0.630     0    0.074   0.104     0.799   92.857   91.837
LGA    K   103_B      K   103_B     0.544     0    0.689   1.188     3.859   86.429   79.735
LGA    N   104_B      N   104_B     2.676     0    0.036   0.993     6.664   60.952   44.345
LGA    V   105_B      V   105_B     0.820     0    0.063   0.089     1.364   88.214   89.252
LGA    H   106_B      H   106_B     0.613     0    0.015   1.120     2.870   95.238   83.810
LGA    H   107_B      H   107_B     0.503     0    0.077   0.089     0.575   95.238   98.095
LGA    H   108_B      H   108_B     0.653     0    0.041   0.159     0.825   90.476   91.429
LGA    A   109_B      A   109_B     0.975     0    0.012   0.016     1.094   85.952   86.857
LGA    E   110_B      E   110_B     1.049     0    0.041   0.732     2.847   85.952   77.884
LGA    I   111_B      I   111_B     0.428     0    0.095   0.174     1.595   95.238   88.393
LGA    L   112_B      L   112_B     0.720     0    0.066   0.168     1.844   90.476   84.940
LGA    E   113_B      E   113_B     0.674     0    0.098   1.104     4.188   88.214   75.026
LGA    N   114_B      N   114_B     0.692     0    0.119   0.263     1.270   90.476   89.345
LGA    S   115_B      S   115_B     0.450     0    0.067   0.127     0.499  100.000  100.000
LGA    V   116_B      V   116_B     0.462     0    0.021   0.035     0.626   95.238   93.197
LGA    A   117_B      A   117_B     0.589     0    0.054   0.063     0.712   95.238   94.286
LGA    V   118_B      V   118_B     0.359     0    0.049   0.114     0.753  100.000   97.279
LGA    E   119_B      E   119_B     0.373     0    0.063   0.600     2.034   97.619   92.910
LGA    V   120_B      V   120_B     0.460     0    0.023   0.059     0.729  100.000   95.918
LGA    F   121_B      F   121_B     0.504     0    0.040   0.127     1.191   97.619   90.606
LGA    A   122_B      A   122_B     0.391     0    0.069   0.075     0.983   97.619   96.190
LGA    P   123_B      P   123_B     0.581     0    0.054   0.325     1.031   92.857   90.544
LGA    T   124_B      T   124_B     1.581     0    0.142   1.020     3.138   75.000   70.816
LGA    R   125_B      R   125_B     1.449     0    0.026   0.995     1.744   81.429   80.823
LGA    E   126_B      E   126_B     1.572     0    0.018   0.896     3.853   72.857   67.778
LGA    E   127_B      E   127_B     1.589     0    0.011   1.104     3.372   77.143   72.222
LGA    Y   128_B      Y   128_B     1.003     0    0.202   0.287     2.064   79.286   78.690
LGA    I   129_B      I   129_B     1.012     0    0.017   0.679     3.477   77.381   74.405
LGA    K   130_B      K   130_B     2.725     0    0.031   0.727     5.042   57.619   47.989
LGA    Y   131_B      Y   131_B     3.167     0    0.044   0.271     3.703   50.119   47.817
LGA    L   132_B      L   132_B     2.887     0    0.610   1.414     4.447   59.286   54.048
LGA    D   133_B      D   133_B     6.608     0    0.517   1.332    11.574   13.214    6.667
LGA    R   134_B      R   134_B     7.753     0    0.068   0.805    13.605    7.381    3.420
LGA    T   135_B      T   135_B     7.858     0    0.142   1.192     9.557    9.405    6.259
LGA    T   136_B      T   136_B     5.761     0    0.563   0.881     8.039   15.119   18.503
LGA    V   137_B      V   137_B     7.556     0    0.468   1.102    11.402   11.429    7.143
LGA    V   138_B      V   138_B     7.154     0    0.162   0.186     7.821    8.571   10.136

# 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):     2.327          2.279                  2.799           80.249   75.197

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    108    1.25    86.229    90.636     8.006

LGA_LOCAL      RMSD:   1.249  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.454  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   2.327  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.658473 * X  +   0.259939 * Y  +   0.706290 * Z  +   2.634471
  Y_new =  -0.732269 * X  +  -0.004600 * Y  +  -0.681000 * Z  +  45.123409
  Z_new =  -0.173769 * X  +  -0.965614 * Y  +   0.193374 * Z  +   9.675765 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.303182  0.174656 -1.373151   [DEG: -131.9626   10.0070  -78.6757 ]
ZXZ:  0.803626  1.376196 -2.963541   [DEG:   46.0444   78.8502 -169.7984 ]
 
# END of job
