
#######################################################
#                                                     #
#                        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       2.19     2.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      23_B - 137_B       1.93     2.21
  LONGEST_CONTINUOUS_SEGMENT:   115      24_B - 138_B       1.92     2.21
  LCS_AVERAGE:     97.44

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      31_B - 129_B       0.97     2.35
  LONGEST_CONTINUOUS_SEGMENT:    99      32_B - 130_B       0.98     2.31
  LCS_AVERAGE:     73.72

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  114  118      3    3    3    3   50   74   99  108  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    22_B     A    22_B      3  114  118      3    3    3   36   41   53   61   68   75  110  111  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    23_B     S    23_B      3  115  118      3    3    3    3    4   53   82   91  101  111  113  117  117  118  118  118  118  118  118  118 
LCS_GDT     M    24_B     M    24_B      6  115  118      4   14   44   88  103  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    25_B     Y    25_B      6  115  118      4   14   44   88  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    26_B     A    26_B      6  115  118     21   67   85  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    27_B     K    27_B      6  115  118      4   73   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H    28_B     H    28_B      6  115  118      3    6   20  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    29_B     S    29_B      6  115  118     16   39   86   95  102  104  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    30_B     A    30_B     93  115  118      3    3   15   24   48   92  103  109  110  111  113  115  117  118  118  118  118  118  118  118 
LCS_GDT     Q    31_B     Q    31_B     99  115  118      5    6   76   91  102  104  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     N    32_B     N    32_B     99  115  118     21   51   91  100  103  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    33_B     Y    33_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    34_B     Q    34_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P    35_B     P    35_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    36_B     L    36_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    37_B     L    37_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P    38_B     P    38_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    39_B     G    39_B     99  115  118     21   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    40_B     I    40_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    41_B     K    41_B     99  115  118     35   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    42_B     I    42_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    43_B     K    43_B     99  115  118     21   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    44_B     T    44_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    45_B     L    45_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    46_B     V    46_B     99  115  118     36   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    47_B     Y    47_B     99  115  118     26   74   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    48_B     G    48_B     99  115  118     30   75   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    49_B     E    49_B     99  115  118     14   70   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    50_B     L    50_B     99  115  118     28   75   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    51_B     T    51_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    52_B     L    52_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     M    53_B     M    53_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    54_B     T    54_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    55_B     E    55_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     F    56_B     F    56_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    57_B     V    57_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     M    58_B     M    58_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    59_B     D    59_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    60_B     K    60_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    61_B     G    61_B     99  115  118     19   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    62_B     S    62_B     99  115  118     20   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    63_B     S    63_B     99  115  118     17   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    64_B     L    64_B     99  115  118     17   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P    65_B     P    65_B     99  115  118     17   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    66_B     D    66_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H    67_B     H    67_B     99  115  118     31   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    68_B     T    68_B     99  115  118     31   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H    69_B     H    69_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P    70_B     P    70_B     99  115  118     26   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    71_B     Y    71_B     99  115  118     29   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    72_B     E    72_B     99  115  118     30   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    73_B     Q    73_B     99  115  118      9   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T    74_B     T    74_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    75_B     G    75_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    76_B     Y    76_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    77_B     L    77_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V    78_B     V    78_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    79_B     S    79_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    80_B     G    80_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    81_B     K    81_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    82_B     I    82_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    83_B     I    83_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L    84_B     L    84_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y    85_B     Y    85_B     99  115  118     41   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    86_B     I    86_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E    87_B     E    87_B     99  115  118     39   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    88_B     D    88_B     99  115  118     17   76   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    89_B     K    89_B     99  115  118     17   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K    90_B     K    90_B     99  115  118     39   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    91_B     Q    91_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Q    92_B     Q    92_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I    93_B     I    93_B     99  115  118     37   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     M    94_B     M    94_B     99  115  118     17   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A    95_B     A    95_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     G    96_B     G    96_B     99  115  118     10   81   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     D    97_B     D    97_B     99  115  118     23   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S    98_B     S    98_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     W    99_B     W    99_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     C   100_B     C   100_B     99  115  118     29   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I   101_B     I   101_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P   102_B     P   102_B     99  115  118     17   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K   103_B     K   103_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     N   104_B     N   104_B     99  115  118      3   30   67   90  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   105_B     V   105_B     99  115  118     31   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H   106_B     H   106_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H   107_B     H   107_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     H   108_B     H   108_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A   109_B     A   109_B     99  115  118     17   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   110_B     E   110_B     99  115  118     17   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I   111_B     I   111_B     99  115  118     34   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L   112_B     L   112_B     99  115  118     29   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   113_B     E   113_B     99  115  118     23   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     N   114_B     N   114_B     99  115  118     41   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     S   115_B     S   115_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   116_B     V   116_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A   117_B     A   117_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   118_B     V   118_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   119_B     E   119_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   120_B     V   120_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     F   121_B     F   121_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     A   122_B     A   122_B     99  115  118     42   82   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     P   123_B     P   123_B     99  115  118     23   76   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T   124_B     T   124_B     99  115  118      4   35   77  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     R   125_B     R   125_B     99  115  118      5   42   91  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   126_B     E   126_B     99  115  118      8   51   86  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     E   127_B     E   127_B     99  115  118      5   58   91  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y   128_B     Y   128_B     99  115  118     26   74   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     I   129_B     I   129_B     99  115  118     23   73   93  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     K   130_B     K   130_B     99  115  118      4   11   51   91  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     Y   131_B     Y   131_B     98  115  118      4   18   45   67  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     L   132_B     L   132_B     89  115  118      7   28   81  100  104  106  108  109  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     D   133_B     D   133_B     10  115  118      3    6   26   36   79   98  104  107  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     R   134_B     R   134_B      6  115  118      3    3   33   38   52   68   95  107  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     T   135_B     T   135_B      6  115  118      3    5    5    6    7   10   22   27   50   87  113  117  117  118  118  118  118  118  118  118 
LCS_GDT     T   136_B     T   136_B      6  115  118      3    5    9   16   20   74  102  107  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   137_B     V   137_B      6  115  118      3    5    5   22   60   82  106  108  110  113  114  117  117  118  118  118  118  118  118  118 
LCS_GDT     V   138_B     V   138_B      6  115  118      3    5    5    6   22   33   58   89  107  111  114  117  117  118  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  90.39  (  73.72   97.44  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     42     82     93    100    104    106    108    109    110    113    114    117    117    118    118    118    118    118    118    118 
GDT PERCENT_AT  35.59  69.49  78.81  84.75  88.14  89.83  91.53  92.37  93.22  95.76  96.61  99.15  99.15 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.64   0.78   0.94   1.10   1.17   1.24   1.33   1.42   1.69   1.81   2.13   2.08   2.19   2.19   2.19   2.19   2.19   2.19   2.19
GDT RMS_ALL_AT   2.31   2.47   2.35   2.28   2.26   2.25   2.28   2.30   2.27   2.21   2.20   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19

# 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:  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     5.807     0    0.516   0.751     7.154   21.548   19.524
LGA    A    22_B      A    22_B     8.597     0    0.313   0.320    11.138    6.071    4.857
LGA    S    23_B      S    23_B     8.346     0    0.635   0.654    11.489   10.595    7.143
LGA    M    24_B      M    24_B     3.840     0    0.684   1.212     4.991   35.833   41.845
LGA    Y    25_B      Y    25_B     3.392     0    0.102   0.230     7.175   53.810   36.270
LGA    A    26_B      A    26_B     1.982     0    0.061   0.080     2.638   66.905   64.952
LGA    K    27_B      K    27_B     1.100     0    0.079   1.129     3.816   83.690   75.397
LGA    H    28_B      H    28_B     1.802     0    0.663   1.137     5.731   65.476   51.762
LGA    S    29_B      S    29_B     3.115     0    0.673   0.808     6.067   53.810   43.095
LGA    A    30_B      A    30_B     4.962     0    0.339   0.320     7.300   33.333   28.667
LGA    Q    31_B      Q    31_B     3.218     0    0.557   1.209     8.555   57.262   35.132
LGA    N    32_B      N    32_B     2.193     0    0.215   0.577     3.494   66.905   64.048
LGA    Y    33_B      Y    33_B     1.277     0    0.105   0.161     1.713   77.143   81.548
LGA    Q    34_B      Q    34_B     1.254     0    0.070   0.886     2.320   83.690   77.778
LGA    P    35_B      P    35_B     1.043     0    0.042   0.256     1.995   81.429   80.204
LGA    L    36_B      L    36_B     1.132     0    0.016   0.218     1.336   81.429   83.690
LGA    L    37_B      L    37_B     1.028     0    0.029   0.614     2.647   85.952   81.786
LGA    P    38_B      P    38_B     1.275     0    0.088   0.098     1.627   81.429   80.204
LGA    G    39_B      G    39_B     0.622     0    0.041   0.041     0.805   92.857   92.857
LGA    I    40_B      I    40_B     0.828     0    0.045   0.602     1.606   90.476   88.274
LGA    K    41_B      K    41_B     0.681     0    0.012   0.930     3.499   90.476   83.122
LGA    I    42_B      I    42_B     1.221     0    0.072   1.154     2.589   81.548   74.286
LGA    K    43_B      K    43_B     1.556     0    0.097   0.967     2.814   75.000   70.317
LGA    T    44_B      T    44_B     1.554     0    0.065   0.131     1.894   72.857   72.857
LGA    L    45_B      L    45_B     1.397     0    0.103   0.117     2.077   77.262   80.536
LGA    V    46_B      V    46_B     0.787     0    0.153   1.149     3.460   95.238   82.449
LGA    Y    47_B      Y    47_B     1.083     0    0.247   0.924     5.758   83.690   66.032
LGA    G    48_B      G    48_B     0.776     0    0.098   0.098     1.041   88.214   88.214
LGA    E    49_B      E    49_B     1.459     0    0.042   0.416     3.111   79.286   72.328
LGA    L    50_B      L    50_B     0.815     0    0.045   0.111     1.408   90.476   87.083
LGA    T    51_B      T    51_B     0.565     0    0.138   1.126     2.342   90.595   83.197
LGA    L    52_B      L    52_B     0.515     0    0.038   0.630     2.034   92.857   88.452
LGA    M    53_B      M    53_B     0.561     0    0.028   0.835     2.077   90.476   86.131
LGA    T    54_B      T    54_B     0.643     0    0.131   1.123     3.329   92.857   82.381
LGA    E    55_B      E    55_B     0.462     0    0.073   0.636     2.669   97.619   90.000
LGA    F    56_B      F    56_B     0.266     0    0.039   0.232     1.799  100.000   89.957
LGA    V    57_B      V    57_B     0.471     0    0.051   0.121     0.813  100.000   95.918
LGA    M    58_B      M    58_B     0.483     0    0.092   0.898     4.667   92.976   83.214
LGA    D    59_B      D    59_B     0.497     0    0.024   0.445     1.659   97.619   90.714
LGA    K    60_B      K    60_B     0.756     0    0.016   0.483     2.972   90.476   83.757
LGA    G    61_B      G    61_B     1.092     0    0.024   0.024     1.233   83.690   83.690
LGA    S    62_B      S    62_B     0.877     0    0.040   0.137     1.137   85.952   87.460
LGA    S    63_B      S    63_B     1.307     0    0.062   0.098     1.645   81.429   80.000
LGA    L    64_B      L    64_B     1.212     0    0.083   1.104     2.994   83.690   78.571
LGA    P    65_B      P    65_B     1.396     0    0.067   0.099     2.120   83.690   77.891
LGA    D    66_B      D    66_B     0.443     0    0.028   0.564     1.555   92.857   91.845
LGA    H    67_B      H    67_B     0.859     0    0.046   0.203     1.200   90.476   87.762
LGA    T    68_B      T    68_B     0.880     0    0.111   1.063     3.113   88.214   77.347
LGA    H    69_B      H    69_B     0.269     0    0.057   1.093     5.934   97.619   67.857
LGA    P    70_B      P    70_B     0.837     0    0.049   0.050     1.067   90.476   87.891
LGA    Y    71_B      Y    71_B     0.792     0    0.077   0.111     1.233   88.214   87.460
LGA    E    72_B      E    72_B     0.836     0    0.041   0.874     2.849   90.476   76.508
LGA    Q    73_B      Q    73_B     1.258     0    0.137   0.535     2.349   81.429   74.921
LGA    T    74_B      T    74_B     0.653     0    0.017   1.021     3.136   90.476   82.109
LGA    G    75_B      G    75_B     0.591     0    0.047   0.047     0.775   90.476   90.476
LGA    Y    76_B      Y    76_B     0.520     0    0.019   1.264     8.631   92.857   58.571
LGA    L    77_B      L    77_B     0.529     0    0.053   0.292     1.279   92.857   90.536
LGA    V    78_B      V    78_B     0.696     0    0.000   0.044     0.765   90.476   90.476
LGA    S    79_B      S    79_B     0.770     0    0.086   0.544     2.143   90.476   86.190
LGA    G    80_B      G    80_B     0.598     0    0.023   0.023     0.598   95.238   95.238
LGA    K    81_B      K    81_B     0.235     0    0.028   0.625     2.960  100.000   88.413
LGA    I    82_B      I    82_B     0.250     0    0.036   0.080     0.815  100.000   96.429
LGA    I    83_B      I    83_B     0.456     0    0.070   0.134     1.278   97.619   92.917
LGA    L    84_B      L    84_B     0.396     0    0.058   0.160     0.913  100.000   97.619
LGA    Y    85_B      Y    85_B     0.626     0    0.038   0.075     1.052   90.476   89.722
LGA    I    86_B      I    86_B     0.422     0    0.041   0.105     0.850  100.000   96.429
LGA    E    87_B      E    87_B     0.938     0    0.287   0.608     2.665   81.786   79.947
LGA    D    88_B      D    88_B     1.552     0    0.118   0.434     3.479   77.143   70.119
LGA    K    89_B      K    89_B     1.284     0    0.020   1.034     6.910   85.952   63.862
LGA    K    90_B      K    90_B     0.702     0    0.110   0.549     1.885   90.476   85.503
LGA    Q    91_B      Q    91_B     0.480     0    0.056   1.079     2.382   97.619   90.053
LGA    Q    92_B      Q    92_B     0.345     0    0.054   1.158     4.521   97.619   81.587
LGA    I    93_B      I    93_B     0.547     0    0.034   0.624     1.669   92.857   89.464
LGA    M    94_B      M    94_B     0.862     0    0.092   1.256     2.808   90.476   81.964
LGA    A    95_B      A    95_B     0.702     0    0.050   0.059     1.110   90.476   88.667
LGA    G    96_B      G    96_B     1.016     0    0.044   0.044     1.168   85.952   85.952
LGA    D    97_B      D    97_B     0.847     0    0.042   0.192     1.214   90.476   87.083
LGA    S    98_B      S    98_B     0.680     0    0.028   0.044     0.938   90.476   90.476
LGA    W    99_B      W    99_B     0.710     0    0.062   0.081     0.951   90.476   91.837
LGA    C   100_B      C   100_B     0.760     0    0.080   0.797     3.276   88.214   82.222
LGA    I   101_B      I   101_B     0.608     0    0.060   0.121     0.806   90.476   90.476
LGA    P   102_B      P   102_B     0.874     0    0.081   0.112     1.058   90.476   89.184
LGA    K   103_B      K   103_B     0.691     0    0.679   1.200     3.744   88.452   80.635
LGA    N   104_B      N   104_B     2.740     0    0.019   0.344     4.499   65.000   54.226
LGA    V   105_B      V   105_B     0.817     0    0.075   0.117     1.430   88.214   89.252
LGA    H   106_B      H   106_B     0.536     0    0.028   0.313     1.684   97.619   88.905
LGA    H   107_B      H   107_B     0.491     0    0.073   0.111     0.731   97.619   96.190
LGA    H   108_B      H   108_B     0.583     0    0.041   1.159     2.452   90.476   83.619
LGA    A   109_B      A   109_B     0.871     0    0.016   0.020     0.972   90.476   90.476
LGA    E   110_B      E   110_B     0.937     0    0.044   0.773     3.098   90.476   81.958
LGA    I   111_B      I   111_B     0.447     0    0.087   0.151     1.552   95.238   88.393
LGA    L   112_B      L   112_B     0.676     0    0.044   0.136     1.049   90.476   89.345
LGA    E   113_B      E   113_B     0.863     0    0.129   1.111     4.106   88.214   74.127
LGA    N   114_B      N   114_B     0.871     0    0.123   0.241     1.525   90.476   88.274
LGA    S   115_B      S   115_B     0.569     0    0.074   0.689     2.202   95.238   90.952
LGA    V   116_B      V   116_B     0.535     0    0.035   0.060     0.675   90.476   90.476
LGA    A   117_B      A   117_B     0.562     0    0.057   0.068     0.671   90.476   90.476
LGA    V   118_B      V   118_B     0.562     0    0.053   0.091     0.808   95.238   93.197
LGA    E   119_B      E   119_B     0.171     0    0.062   0.592     2.274  100.000   92.910
LGA    V   120_B      V   120_B     0.427     0    0.022   0.067     0.955  100.000   95.918
LGA    F   121_B      F   121_B     0.489     0    0.054   0.135     1.044  100.000   92.294
LGA    A   122_B      A   122_B     0.454     0    0.092   0.099     1.172   92.976   92.476
LGA    P   123_B      P   123_B     0.615     0    0.070   0.326     1.110   88.333   87.959
LGA    T   124_B      T   124_B     1.907     0    0.152   1.017     3.167   72.976   67.347
LGA    R   125_B      R   125_B     1.726     0    0.029   1.113     4.649   75.000   68.658
LGA    E   126_B      E   126_B     1.861     0    0.012   0.903     3.812   72.857   65.979
LGA    E   127_B      E   127_B     1.803     0    0.027   1.106     3.427   72.857   70.317
LGA    Y   128_B      Y   128_B     1.044     0    0.191   0.324     1.858   79.286   82.381
LGA    I   129_B      I   129_B     1.284     0    0.018   0.670     3.314   75.119   71.131
LGA    K   130_B      K   130_B     2.823     0    0.029   0.728     5.099   55.595   46.296
LGA    Y   131_B      Y   131_B     2.993     0    0.082   0.369     4.453   57.262   46.984
LGA    L   132_B      L   132_B     2.311     0    0.614   1.400     4.631   71.190   58.690
LGA    D   133_B      D   133_B     5.354     0    0.525   1.335    10.715   25.238   13.274
LGA    R   134_B      R   134_B     6.878     0    0.087   1.250     9.376   13.095    6.753
LGA    T   135_B      T   135_B     7.120     0    0.039   0.135     8.721   13.571    9.524
LGA    T   136_B      T   136_B     5.286     0    0.321   0.341     7.949   25.119   20.272
LGA    V   137_B      V   137_B     6.166     0    0.027   0.146    10.030   17.262   11.905
LGA    V   138_B      V   138_B     7.830     0    0.022   0.105    10.279    4.405    8.503

# 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):     2.188          2.162                  2.667           80.217   74.854

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    109    1.33    86.653    91.310     7.633

LGA_LOCAL      RMSD:   1.328  Number of atoms:  109  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.299  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   2.188  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.766876 * X  +   0.246814 * Y  +  -0.592439 * Z  +   4.638766
  Y_new =  -0.244899 * X  +  -0.965785 * Y  +  -0.085346 * Z  +  46.085991
  Z_new =  -0.593233 * X  +   0.079637 * Y  +   0.801082 * Z  +   6.567754 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.832484  0.635069  0.099087   [DEG: -162.2894   36.3868    5.6773 ]
ZXZ: -1.427722  0.641696 -1.437351   [DEG:  -81.8024   36.7665  -82.3541 ]
 
# END of job
