
#######################################################
#                                                     #
#                        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       4.24     4.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   110      21_B - 130_B       1.88     4.55
  LONGEST_CONTINUOUS_SEGMENT:   110      22_B - 131_B       1.75     4.60
  LONGEST_CONTINUOUS_SEGMENT:   110      23_B - 132_B       1.90     4.58
  LCS_AVERAGE:     89.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      32_B - 130_B       0.97     4.67
  LCS_AVERAGE:     71.02

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  110  118      0    3    3    5    7   14   36   43   55   86   93   99  106  108  109  112  113  115  115  115 
LCS_GDT     A    22_B     A    22_B      3  110  118      3    3    3    5   15   22   28   65   93  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     S    23_B     S    23_B      3  110  118      3    3    3    5    7   22   72   89  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     M    24_B     M    24_B      6  110  118      9   43   91  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Y    25_B     Y    25_B      6  110  118      9   28   94  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     A    26_B     A    26_B      6  110  118     28   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     K    27_B     K    27_B      6  110  118     29   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     H    28_B     H    28_B      6  110  118     17   71   92  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     S    29_B     S    29_B      6  110  118      4   10   74  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     A    30_B     A    30_B      4  110  118      4    4    4    9   14   20   29   92  101  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Q    31_B     Q    31_B      4  110  118      4    4   14   20   68   86  103  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     N    32_B     N    32_B     99  110  118     26   64   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Y    33_B     Y    33_B     99  110  118     26   66   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Q    34_B     Q    34_B     99  110  118     27   67   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     P    35_B     P    35_B     99  110  118     26   64   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     L    36_B     L    36_B     99  110  118     26   64   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     L    37_B     L    37_B     99  110  118      6   43   77  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     P    38_B     P    38_B     99  110  118     26   57   94  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     G    39_B     G    39_B     99  110  118     35   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     I    40_B     I    40_B     99  110  118     27   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     K    41_B     K    41_B     99  110  118     28   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     I    42_B     I    42_B     99  110  118     27   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     K    43_B     K    43_B     99  110  118     22   65   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     T    44_B     T    44_B     99  110  118     32   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     L    45_B     L    45_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     V    46_B     V    46_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Y    47_B     Y    47_B     99  110  118     34   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     G    48_B     G    48_B     99  110  118     20   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     E    49_B     E    49_B     99  110  118     16   32   72  100  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     L    50_B     L    50_B     99  110  118     34   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     T    51_B     T    51_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     L    52_B     L    52_B     99  110  118     30   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     M    53_B     M    53_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     T    54_B     T    54_B     99  110  118     35   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     E    55_B     E    55_B     99  110  118     35   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     F    56_B     F    56_B     99  110  118     35   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     V    57_B     V    57_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     M    58_B     M    58_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     D    59_B     D    59_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     K    60_B     K    60_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     G    61_B     G    61_B     99  110  118      7   20   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     S    62_B     S    62_B     99  110  118      7   56   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     S    63_B     S    63_B     99  110  118      7   67   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     L    64_B     L    64_B     99  110  118     18   67   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     P    65_B     P    65_B     99  110  118     18   67   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     D    66_B     D    66_B     99  110  118      6   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     H    67_B     H    67_B     99  110  118     19   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     T    68_B     T    68_B     99  110  118     17   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     H    69_B     H    69_B     99  110  118      9   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     P    70_B     P    70_B     99  110  118      7   67   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Y    71_B     Y    71_B     99  110  118     34   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     E    72_B     E    72_B     99  110  118     37   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Q    73_B     Q    73_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     T    74_B     T    74_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     G    75_B     G    75_B     99  110  118     21   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Y    76_B     Y    76_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     L    77_B     L    77_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     V    78_B     V    78_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     S    79_B     S    79_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     G    80_B     G    80_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     K    81_B     K    81_B     99  110  118     22   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     I    82_B     I    82_B     99  110  118     21   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     I    83_B     I    83_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     L    84_B     L    84_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Y    85_B     Y    85_B     99  110  118     36   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     I    86_B     I    86_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     E    87_B     E    87_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     D    88_B     D    88_B     99  110  118     14   64   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     K    89_B     K    89_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     K    90_B     K    90_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Q    91_B     Q    91_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Q    92_B     Q    92_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     I    93_B     I    93_B     99  110  118     29   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     M    94_B     M    94_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     A    95_B     A    95_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     G    96_B     G    96_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     D    97_B     D    97_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     S    98_B     S    98_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     W    99_B     W    99_B     99  110  118     15   69   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     C   100_B     C   100_B     99  110  118     15   69   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     I   101_B     I   101_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     P   102_B     P   102_B     99  110  118     25   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     K   103_B     K   103_B     99  110  118     25   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     N   104_B     N   104_B     99  110  118      7   29   86  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     V   105_B     V   105_B     99  110  118     32   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     H   106_B     H   106_B     99  110  118     36   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     H   107_B     H   107_B     99  110  118     23   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     H   108_B     H   108_B     99  110  118     23   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     A   109_B     A   109_B     99  110  118     18   63   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     E   110_B     E   110_B     99  110  118     18   56   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     I   111_B     I   111_B     99  110  118      9   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     L   112_B     L   112_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     E   113_B     E   113_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     N   114_B     N   114_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     S   115_B     S   115_B     99  110  118     35   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     V   116_B     V   116_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     A   117_B     A   117_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     V   118_B     V   118_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     E   119_B     E   119_B     99  110  118     34   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     V   120_B     V   120_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     F   121_B     F   121_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     A   122_B     A   122_B     99  110  118     38   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     P   123_B     P   123_B     99  110  118     32   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     T   124_B     T   124_B     99  110  118      8   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     R   125_B     R   125_B     99  110  118     21   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     E   126_B     E   126_B     99  110  118     29   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     E   127_B     E   127_B     99  110  118     34   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Y   128_B     Y   128_B     99  110  118     23   71   95  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     I   129_B     I   129_B     99  110  118     11   67   92  102  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     K   130_B     K   130_B     99  110  118      2   13   90  101  105  105  105  106  106  107  107  108  109  110  111  112  113  115  115  115 
LCS_GDT     Y   131_B     Y   131_B      5  110  118      3    4    5    6    7    7   16   20   32   55   93  108  109  110  111  112  113  115  115  115 
LCS_GDT     L   132_B     L   132_B      5  110  118      3    4    5    6    7    8   12   18   28   36   64   89  104  110  111  112  113  115  115  115 
LCS_GDT     D   133_B     D   133_B      5  102  118      3    4    5    6    7    8   12   15   18   28   43   64   88  103  110  112  113  115  115  115 
LCS_GDT     R   134_B     R   134_B      5    7  118      3    4    5    6    7    8   10   18   24   31   52   82   97  105  108  112  113  115  115  115 
LCS_GDT     T   135_B     T   135_B      5    7  118      3    4    5    6    7    9   14   22   32   44   73   89  101  105  108  112  113  115  115  115 
LCS_GDT     T   136_B     T   136_B      4    7  118      3    4    5    6    7    7   10   12   14   18   23   28   35   54   72   84   97  105  110  114 
LCS_GDT     V   137_B     V   137_B      3    4  118      3    3    3    3    4    6    8    8    8   12   12   15   17   19   23   25   37   79   87   97 
LCS_GDT     V   138_B     V   138_B      3    4  118      3    3    3    3    4    6    8    8    8   12   12   15   16   17   21   23   25   26   38   45 
LCS_AVERAGE  LCS_A:  86.81  (  71.02   89.42  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     38     71     95    102    105    105    105    106    106    107    107    108    109    110    111    112    113    115    115    115 
GDT PERCENT_AT  32.20  60.17  80.51  86.44  88.98  88.98  88.98  89.83  89.83  90.68  90.68  91.53  92.37  93.22  94.07  94.92  95.76  97.46  97.46  97.46
GDT RMS_LOCAL    0.34   0.57   0.84   0.94   1.02   1.02   1.02   1.14   1.14   1.34   1.34   1.44   1.61   1.75   2.00   2.87   2.88   3.00   3.00   3.00
GDT RMS_ALL_AT   4.69   4.60   4.69   4.68   4.66   4.66   4.66   4.68   4.68   4.59   4.59   4.61   4.60   4.60   4.55   4.30   4.32   4.33   4.33   4.33

# Checking swapping
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  Y    47_B      Y    47_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  Y    76_B      Y    76_B
#   possible swapping detected:  Y    85_B      Y    85_B
#   possible swapping detected:  E    87_B      E    87_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  E   113_B      E   113_B
#   possible swapping detected:  E   119_B      E   119_B
#   possible swapping detected:  E   126_B      E   126_B
#   possible swapping detected:  Y   131_B      Y   131_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M    21_B      M    21_B    10.980     0    0.286   1.289    18.420    0.476    0.238
LGA    A    22_B      A    22_B     6.996     0    0.666   0.635     8.337   14.167   14.762
LGA    S    23_B      S    23_B     6.622     0    0.029   0.629    10.846   21.667   14.921
LGA    M    24_B      M    24_B     1.901     0    0.587   0.950     8.404   68.929   43.571
LGA    Y    25_B      Y    25_B     1.602     0    0.099   0.378     5.513   75.000   54.762
LGA    A    26_B      A    26_B     1.015     0    0.040   0.040     1.339   81.429   81.429
LGA    K    27_B      K    27_B     1.312     0    0.112   1.317     5.517   79.286   66.825
LGA    H    28_B      H    28_B     1.827     0    0.601   1.043     3.560   67.143   65.286
LGA    S    29_B      S    29_B     2.056     0    0.612   0.578     5.051   51.786   47.937
LGA    A    30_B      A    30_B     7.269     0    0.253   0.251     9.480   14.881   12.190
LGA    Q    31_B      Q    31_B     5.384     0    0.151   1.288    10.809   43.810   21.534
LGA    N    32_B      N    32_B     1.470     0    0.605   1.238     4.984   75.357   62.381
LGA    Y    33_B      Y    33_B     1.187     0    0.122   0.164     2.447   79.286   75.119
LGA    Q    34_B      Q    34_B     1.074     0    0.043   1.107     4.439   81.429   72.328
LGA    P    35_B      P    35_B     1.482     0    0.110   0.116     1.976   79.286   76.531
LGA    L    36_B      L    36_B     1.530     0    0.012   1.394     4.248   70.952   64.583
LGA    L    37_B      L    37_B     2.415     0    0.050   0.863     5.374   70.952   55.238
LGA    P    38_B      P    38_B     1.852     0    0.061   0.155     3.394   75.119   65.374
LGA    G    39_B      G    39_B     0.292     0    0.050   0.050     0.844   97.619   97.619
LGA    I    40_B      I    40_B     0.895     0    0.094   0.646     2.969   86.071   79.643
LGA    K    41_B      K    41_B     0.739     0    0.049   0.877     2.240   92.857   83.757
LGA    I    42_B      I    42_B     0.917     0    0.020   0.125     1.391   85.952   83.690
LGA    K    43_B      K    43_B     1.191     0    0.041   0.850     2.976   85.952   75.238
LGA    T    44_B      T    44_B     0.635     0    0.030   1.184     3.234   92.857   80.272
LGA    L    45_B      L    45_B     0.368     0    0.033   0.057     0.724   97.619   95.238
LGA    V    46_B      V    46_B     0.342     0    0.036   0.150     0.872  100.000   95.918
LGA    Y    47_B      Y    47_B     0.758     0    0.041   1.241     5.856   95.238   69.167
LGA    G    48_B      G    48_B     1.011     0    0.203   0.203     1.650   81.548   81.548
LGA    E    49_B      E    49_B     2.374     0    0.116   0.729     5.069   66.905   50.635
LGA    L    50_B      L    50_B     0.637     0    0.124   0.952     3.928   92.976   81.429
LGA    T    51_B      T    51_B     0.066     0    0.024   1.104     2.501   97.619   87.483
LGA    L    52_B      L    52_B     0.653     0    0.120   1.359     3.733   90.595   81.250
LGA    M    53_B      M    53_B     0.533     0    0.074   0.860     2.555   95.238   87.560
LGA    T    54_B      T    54_B     0.464     0    0.048   0.116     0.695   95.238   93.197
LGA    E    55_B      E    55_B     0.473     0    0.072   0.590     2.047  100.000   86.931
LGA    F    56_B      F    56_B     0.337     0    0.061   0.819     4.201  100.000   75.195
LGA    V    57_B      V    57_B     0.564     0    0.106   0.962     3.060   92.857   83.537
LGA    M    58_B      M    58_B     0.448     0    0.030   0.216     1.847   97.619   89.643
LGA    D    59_B      D    59_B     0.217     0    0.108   1.150     4.239  100.000   82.381
LGA    K    60_B      K    60_B     0.491     0    0.031   1.198     6.634   92.976   70.847
LGA    G    61_B      G    61_B     1.487     0    0.088   0.088     1.837   77.143   77.143
LGA    S    62_B      S    62_B     1.524     0    0.113   0.625     2.375   75.000   72.937
LGA    S    63_B      S    63_B     1.206     0    0.021   0.648     3.195   81.429   76.190
LGA    L    64_B      L    64_B     1.272     0    0.055   0.961     4.088   81.429   71.786
LGA    P    65_B      P    65_B     1.145     0    0.086   0.145     1.315   83.690   82.721
LGA    D    66_B      D    66_B     1.087     0    0.039   0.334     2.619   81.429   78.452
LGA    H    67_B      H    67_B     1.161     0    0.069   0.173     1.612   83.690   81.524
LGA    T    68_B      T    68_B     1.178     0    0.065   1.155     3.767   81.429   74.762
LGA    H    69_B      H    69_B     1.343     0    0.043   0.132     1.343   83.690   85.048
LGA    P    70_B      P    70_B     1.455     0    0.413   0.484     3.668   81.548   70.204
LGA    Y    71_B      Y    71_B     0.737     0    0.061   1.123     5.695   88.214   67.897
LGA    E    72_B      E    72_B     0.543     0    0.073   0.754     2.035   97.619   89.788
LGA    Q    73_B      Q    73_B     0.544     0    0.110   0.187     0.876   92.857   91.534
LGA    T    74_B      T    74_B     0.500     0    0.081   1.077     3.062   92.976   83.605
LGA    G    75_B      G    75_B     1.060     0    0.100   0.100     1.366   83.690   83.690
LGA    Y    76_B      Y    76_B     0.526     0    0.044   0.161     0.948   90.476   90.476
LGA    L    77_B      L    77_B     0.483     0    0.022   1.352     3.411  100.000   83.988
LGA    V    78_B      V    78_B     0.524     0    0.044   0.066     0.600   90.476   90.476
LGA    S    79_B      S    79_B     0.406     0    0.032   0.703     2.258  100.000   94.127
LGA    G    80_B      G    80_B     0.449     0    0.112   0.112     1.221   92.976   92.976
LGA    K    81_B      K    81_B     0.660     0    0.059   1.038     3.626   90.476   74.868
LGA    I    82_B      I    82_B     0.729     0    0.076   1.285     3.358   90.476   79.048
LGA    I    83_B      I    83_B     0.199     0    0.078   1.083     2.503  100.000   85.833
LGA    L    84_B      L    84_B     0.411     0    0.067   0.253     1.248  100.000   96.488
LGA    Y    85_B      Y    85_B     0.743     0    0.023   1.351     7.312   90.476   60.833
LGA    I    86_B      I    86_B     0.454     0    0.037   0.617     1.447   97.619   92.917
LGA    E    87_B      E    87_B     0.381     0    0.582   1.077     3.020   85.119   82.169
LGA    D    88_B      D    88_B     1.487     0    0.195   0.457     3.412   85.952   71.607
LGA    K    89_B      K    89_B     0.396     0    0.094   0.949     4.561   95.238   78.095
LGA    K    90_B      K    90_B     0.252     0    0.111   0.782     3.715   97.619   78.519
LGA    Q    91_B      Q    91_B     0.335     0    0.070   1.070     4.231  100.000   79.577
LGA    Q    92_B      Q    92_B     0.182     0    0.067   1.148     4.107   97.619   83.968
LGA    I    93_B      I    93_B     0.701     0    0.058   1.183     2.671   97.619   82.321
LGA    M    94_B      M    94_B     0.319     0    0.035   1.218     5.082  100.000   77.440
LGA    A    95_B      A    95_B     0.370     0    0.049   0.056     0.511  100.000   98.095
LGA    G    96_B      G    96_B     0.100     0    0.062   0.062     0.258  100.000  100.000
LGA    D    97_B      D    97_B     0.363     0    0.065   0.173     1.682  100.000   90.774
LGA    S    98_B      S    98_B     0.583     0    0.026   0.582     2.716   95.238   88.095
LGA    W    99_B      W    99_B     1.023     0    0.019   1.745     6.165   83.690   62.449
LGA    C   100_B      C   100_B     1.022     0    0.094   0.097     1.200   83.690   82.937
LGA    I   101_B      I   101_B     0.605     0    0.049   1.122     2.534   90.476   80.893
LGA    P   102_B      P   102_B     0.957     0    0.081   0.116     1.071   90.476   89.184
LGA    K   103_B      K   103_B     1.143     0    0.486   1.511     3.751   81.548   72.540
LGA    N   104_B      N   104_B     1.996     0    0.275   1.425     5.353   66.905   58.333
LGA    V   105_B      V   105_B     0.943     0    0.046   0.129     1.073   88.214   89.184
LGA    H   106_B      H   106_B     0.728     0    0.037   1.129     3.095   90.476   82.190
LGA    H   107_B      H   107_B     0.756     0    0.037   0.095     0.756   90.476   92.381
LGA    H   108_B      H   108_B     0.728     0    0.104   0.980     4.659   90.476   71.429
LGA    A   109_B      A   109_B     1.247     0    0.027   0.049     1.367   81.429   81.429
LGA    E   110_B      E   110_B     1.289     0    0.047   1.132     3.567   85.952   74.550
LGA    I   111_B      I   111_B     0.963     0    0.067   1.103     3.978   88.214   75.357
LGA    L   112_B      L   112_B     0.268     0    0.067   0.992     2.564   97.619   89.048
LGA    E   113_B      E   113_B     0.580     0    0.086   1.110     4.269   92.857   75.450
LGA    N   114_B      N   114_B     0.508     0    0.254   0.383     1.550   88.452   91.845
LGA    S   115_B      S   115_B     0.451     0    0.076   0.733     2.306  100.000   94.127
LGA    V   116_B      V   116_B     0.323     0    0.020   1.069     2.738   97.619   87.483
LGA    A   117_B      A   117_B     0.594     0    0.042   0.044     0.646   95.238   94.286
LGA    V   118_B      V   118_B     0.648     0    0.030   0.113     0.961   90.476   90.476
LGA    E   119_B      E   119_B     0.703     0    0.044   0.700     4.181   95.238   76.720
LGA    V   120_B      V   120_B     0.588     0    0.063   1.190     3.377   92.857   80.272
LGA    F   121_B      F   121_B     0.514     0    0.030   0.161     0.639   95.238   95.671
LGA    A   122_B      A   122_B     0.307     0    0.047   0.051     0.474  100.000  100.000
LGA    P   123_B      P   123_B     0.757     0    0.080   0.159     0.980   90.476   90.476
LGA    T   124_B      T   124_B     1.185     0    0.189   1.145     4.079   81.429   71.497
LGA    R   125_B      R   125_B     1.213     0    0.087   1.142     2.291   85.952   81.775
LGA    E   126_B      E   126_B     0.990     0    0.045   1.228     5.046   85.952   65.661
LGA    E   127_B      E   127_B     1.029     0    0.081   0.100     1.241   83.690   86.455
LGA    Y   128_B      Y   128_B     1.267     0    0.193   0.471     2.629   73.214   84.048
LGA    I   129_B      I   129_B     1.788     0    0.600   1.043     5.450   64.048   59.821
LGA    K   130_B      K   130_B     2.302     0    0.695   0.786     3.729   63.095   56.138
LGA    Y   131_B      Y   131_B     7.532     0    0.606   1.248    16.355    6.429    2.183
LGA    L   132_B      L   132_B    10.723     0    0.045   1.368    14.913    1.905    0.952
LGA    D   133_B      D   133_B    12.265     0    0.180   1.236    16.193    0.000    0.000
LGA    R   134_B      R   134_B    14.451     0    0.205   1.649    16.210    0.000    0.000
LGA    T   135_B      T   135_B    14.900     0    0.687   1.345    15.901    0.000    0.000
LGA    T   136_B      T   136_B    18.913     0    0.706   1.451    21.921    0.000    0.000
LGA    V   137_B      V   137_B    20.450     0    0.087   0.175    21.761    0.000    0.000
LGA    V   138_B      V   138_B    25.460     0    0.126   1.248    28.785    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):     4.235          4.255                  4.742           79.201   71.478

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  139  118    4.0    106    1.14    82.839    86.955     8.536

LGA_LOCAL      RMSD:   1.142  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.677  Number of assigned atoms:  118 
Std_ASGN_ATOMS RMSD:   4.235  Standard rmsd on all 118 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.757778 * X  +   0.466401 * Y  +   0.456336 * Z  + -101.844025
  Y_new =   0.636756 * X  +  -0.375801 * Y  +  -0.673287 * Z  +  13.464319
  Z_new =  -0.142530 * X  +   0.800777 * Y  +  -0.581757 * Z  +  -1.702684 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.698832  0.143017  2.199081   [DEG:   40.0401    8.1943  125.9981 ]
ZXZ:  0.595653  2.191684 -0.176145   [DEG:   34.1284  125.5742  -10.0923 ]
 
# END of job
