
#######################################################
#                                                     #
#                        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  124 (  941),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  941),  selected  124 , 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:   124       1_B - 124_B       1.67     1.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.67     1.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66      33_B - 98_B        1.00     1.87
  LCS_AVERAGE:     35.74

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     Q     1_B     Q     1_B     28  124  124     48   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     28  124  124     57   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     28  124  124     44   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     28  124  124     43   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     28  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     28  124  124     57   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     28  124  124      3   10   97  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     28  124  124      3   11   94  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B      4  124  124      3    3    6    9   15   21   41   76  116  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B      4  124  124      3   73  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     21  124  124      5   18   55  100  108  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     21  124  124      5   18   88  104  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     66  124  124     33   92  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     66  124  124      4   75  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     66  124  124     42   89  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     66  124  124     34   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     66  124  124     43   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     66  124  124      3    3   32  100  110  114  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B     66  124  124      3    3    4   51   70  111  116  119  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     66  124  124      3    3   63   92  110  112  116  119  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     66  124  124     41   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     66  124  124     68   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     66  124  124     67   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     66  124  124     55   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     66  124  124     23   91  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     66  124  124     55   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     66  124  124     61   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     66  124  124     68   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     66  124  124     61   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     66  124  124     10   90  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     66  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     66  124  124     67   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     66  124  124     48   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     66  124  124      4   32   83  105  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     66  124  124      3   28   78  105  110  112  116  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B      3  124  124      3    3    4    5   12   50  114  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      3  124  124      3   11   70  103  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      3  124  124      3    3    4    7   20   89  114  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      4  124  124      3   10   27   73  106  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      4  124  124      3    4   21   62   99  114  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B      4  124  124      3    4    6   25   35   48   65   85  118  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B     11  124  124      4   73   99  106  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B     11  124  124     28   92  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     11  124  124      9   88  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     11  124  124      7   41  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     15  124  124      5   12   65  100  108  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     15  124  124      5   16   71  103  109  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     15  124  124     34   92  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     15  124  124     54   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     15  124  124     68   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     15  124  124     61   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     15  124  124     29   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     15  124  124     21   92  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     15  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     15  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     15  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     15  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     15  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     15  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     15  124  124     69   93  101  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     15  124  124      0   10   84  107  110  115  117  120  122  122  124  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  78.58  (  35.74  100.00  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     69     93    101    107    110    115    117    120    122    122    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  55.65  75.00  81.45  86.29  88.71  92.74  94.35  96.77  98.39  98.39 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.47   0.60   0.78   0.89   1.15   1.24   1.39   1.49   1.49   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67
GDT RMS_ALL_AT   1.77   1.75   1.74   1.73   1.74   1.68   1.68   1.68   1.68   1.68   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67   1.67

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    77_B      Y    77_B
#   possible swapping detected:  F   106_B      F   106_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.386     0    0.578   1.265     8.578   72.976   41.587
LGA    V     2_B      V     2_B     1.121     0    0.036   0.135     1.150   85.952   84.014
LGA    Q     3_B      Q     3_B     0.629     0    0.018   0.846     5.778   95.238   71.481
LGA    L     4_B      L     4_B     0.421     0    0.025   0.060     0.564   97.619   97.619
LGA    V     5_B      V     5_B     0.302     0    0.030   0.093     0.454  100.000  100.000
LGA    E     6_B      E     6_B     0.264     0    0.044   0.805     2.383  100.000   89.048
LGA    S     7_B      S     7_B     0.417     0    0.052   0.074     0.530   97.619   98.413
LGA    G     8_B      G     8_B     0.459     0    0.084   0.084     0.705   97.619   97.619
LGA    G     9_B      G     9_B     0.411     0    0.140   0.140     1.267   92.976   92.976
LGA    G    10_B      G    10_B     0.217     0    0.053   0.053     0.486  100.000  100.000
LGA    S    11_B      S    11_B     0.297     0    0.070   0.723     2.405   97.619   92.540
LGA    V    12_B      V    12_B     0.432     0    0.128   1.026     2.365   97.619   89.728
LGA    Q    13_B      Q    13_B     0.618     0    0.025   0.856     2.455   92.857   83.810
LGA    A    14_B      A    14_B     0.185     0    0.021   0.035     0.310  100.000  100.000
LGA    G    15_B      G    15_B     0.368     0    0.043   0.043     0.392  100.000  100.000
LGA    G    16_B      G    16_B     0.462     0    0.025   0.025     0.560   97.619   97.619
LGA    S    17_B      S    17_B     0.365     0    0.063   0.676     2.736  100.000   92.857
LGA    L    18_B      L    18_B     0.524     0    0.032   0.652     2.272   95.238   87.440
LGA    R    19_B      R    19_B     0.369     0    0.014   1.279     6.563  100.000   77.965
LGA    L    20_B      L    20_B     0.337     0    0.026   0.124     0.549   97.619   97.619
LGA    S    21_B      S    21_B     0.542     0    0.036   0.681     1.852   97.619   92.302
LGA    C    22_B      C    22_B     0.520     0    0.021   0.067     0.927   92.857   92.063
LGA    A    23_B      A    23_B     0.793     0    0.051   0.079     0.804   92.857   92.381
LGA    A    24_B      A    24_B     0.905     0    0.125   0.151     1.374   88.214   88.667
LGA    S    25_B      S    25_B     0.472     0    0.106   0.176     1.425   90.595   90.556
LGA    G    26_B      G    26_B     1.025     0    0.671   0.671     2.694   77.619   77.619
LGA    S    27_B      S    27_B     2.688     0    0.541   0.753     5.404   55.595   50.952
LGA    T    28_B      T    28_B     2.765     0    0.085   1.090     6.237   50.357   41.020
LGA    V    29_B      V    29_B     5.607     0    0.114   0.105     9.476   29.405   18.367
LGA    S    30_B      S    30_B     1.931     0    0.629   0.772     2.712   69.048   68.968
LGA    A    31_B      A    31_B     3.379     0    0.251   0.239     4.601   55.476   50.667
LGA    Y    32_B      Y    32_B     2.282     0    0.074   1.274     6.718   71.190   51.349
LGA    Y    33_B      Y    33_B     0.816     0    0.095   0.433     3.397   90.595   74.365
LGA    M    34_B      M    34_B     0.406     0    0.069   0.844     2.318  100.000   88.810
LGA    A    35_B      A    35_B     0.438     0    0.045   0.044     0.605   95.238   96.190
LGA    W    36_B      W    36_B     0.565     0    0.044   0.164     0.742   92.857   95.238
LGA    F    37_B      F    37_B     0.532     0    0.036   0.134     0.656   90.476   94.805
LGA    R    38_B      R    38_B     0.549     0    0.070   0.554     1.587   95.238   88.961
LGA    Q    39_B      Q    39_B     0.443     0    0.054   0.783     3.015  100.000   79.947
LGA    A    40_B      A    40_B     0.339     0    0.059   0.069     0.720   95.238   96.190
LGA    P    41_B      P    41_B     0.672     0    0.053   0.340     0.983   95.238   94.558
LGA    G    42_B      G    42_B     0.697     0    0.196   0.196     1.905   83.810   83.810
LGA    K    43_B      K    43_B     1.813     0    0.093   0.581     3.708   69.048   66.085
LGA    G    44_B      G    44_B     1.756     0    0.099   0.099     3.195   63.214   63.214
LGA    R    45_B      R    45_B     0.858     0    0.026   0.411     3.364   85.952   76.450
LGA    E    46_B      E    46_B     0.874     0    0.010   0.141     1.292   90.476   87.460
LGA    G    47_B      G    47_B     0.754     0    0.029   0.029     0.802   90.476   90.476
LGA    V    48_B      V    48_B     0.459     0    0.024   0.069     0.603   97.619   97.279
LGA    A    49_B      A    49_B     0.459     0    0.041   0.038     0.518  100.000   98.095
LGA    V    50_B      V    50_B     0.532     0    0.032   1.081     2.813   92.857   84.558
LGA    I    51_B      I    51_B     0.627     0    0.082   1.031     3.016   77.738   73.571
LGA    G    52_B      G    52_B     3.296     0    0.095   0.095     4.241   48.810   48.810
LGA    G    53_B      G    53_B     4.578     0    0.374   0.374     4.578   40.476   40.476
LGA    S    54_B      S    54_B     4.044     0    0.635   0.611     6.177   34.762   30.397
LGA    G    55_B      G    55_B     1.347     0    0.027   0.027     1.612   79.286   79.286
LGA    V    56_B      V    56_B     0.545     0    0.047   0.052     1.006   95.238   91.905
LGA    Y    57_B      Y    57_B     0.348     0    0.051   0.185     0.677   97.619   97.619
LGA    A    58_B      A    58_B     0.722     0    0.016   0.015     0.874   92.857   92.381
LGA    D    59_B      D    59_B     1.211     0    0.022   0.124     1.398   81.429   82.560
LGA    A    60_B      A    60_B     1.381     0    0.018   0.024     1.420   81.429   81.429
LGA    V    61_B      V    61_B     0.989     0    0.020   0.106     1.084   88.214   89.184
LGA    K    62_B      K    62_B     0.976     0    0.022   0.620     2.662   83.690   77.831
LGA    G    63_B      G    63_B     1.107     0    0.010   0.010     1.169   83.690   83.690
LGA    R    64_B      R    64_B     0.914     0    0.016   0.234     1.673   90.476   85.628
LGA    F    65_B      F    65_B     0.605     0    0.008   0.059     0.900   95.238   92.208
LGA    T    66_B      T    66_B     0.376     0    0.038   0.107     0.782  100.000   97.279
LGA    I    67_B      I    67_B     0.314     0    0.049   0.091     0.571   97.619   98.810
LGA    S    68_B      S    68_B     0.423     0    0.129   0.610     2.710   97.619   89.683
LGA    Q    69_B      Q    69_B     0.403     0    0.128   0.969     2.513   95.238   83.968
LGA    D    70_B      D    70_B     0.411     0    0.075   0.171     1.336   97.619   90.655
LGA    N    71_B      N    71_B     0.412     0    0.637   1.221     2.786   86.905   82.500
LGA    A    72_B      A    72_B     1.707     0    0.093   0.097     2.132   79.405   76.476
LGA    K    73_B      K    73_B     0.702     0    0.138   0.671     3.912   90.595   78.624
LGA    N    74_B      N    74_B     0.524     0    0.025   0.776     2.504   92.857   85.238
LGA    T    75_B      T    75_B     0.270     0    0.039   0.054     0.343  100.000  100.000
LGA    L    76_B      L    76_B     0.449     0    0.064   0.794     2.698   95.238   87.560
LGA    Y    77_B      Y    77_B     0.351     0    0.024   0.162     0.428  100.000  100.000
LGA    L    78_B      L    78_B     0.453     0    0.018   0.051     0.561  100.000   97.619
LGA    Q    79_B      Q    79_B     0.431     0    0.049   0.926     4.299  100.000   85.185
LGA    M    80_B      M    80_B     0.654     0    0.046   0.110     0.858   90.476   90.476
LGA    N    81_B      N    81_B     0.566     0    0.044   0.286     1.434   92.857   90.536
LGA    S    82_B      S    82_B     0.281     0    0.022   0.026     0.368  100.000  100.000
LGA    L    83_B      L    83_B     0.322     0    0.064   0.052     0.452  100.000  100.000
LGA    K    84_B      K    84_B     0.144     0    0.027   0.701     1.924  100.000   91.799
LGA    P    85_B      P    85_B     0.514     0    0.043   0.036     0.628   92.857   93.197
LGA    E    86_B      E    86_B     0.557     0    0.014   1.027     3.419   92.857   83.122
LGA    D    87_B      D    87_B     0.369     0    0.023   0.082     0.438  100.000  100.000
LGA    T    88_B      T    88_B     0.532     0    0.030   0.099     0.775   92.857   93.197
LGA    A    89_B      A    89_B     0.637     0    0.032   0.035     0.653   95.238   94.286
LGA    M    90_B      M    90_B     0.323     0    0.037   0.239     1.120  100.000   96.488
LGA    Y    91_B      Y    91_B     0.318     0    0.035   0.101     0.563  100.000   99.206
LGA    Y    92_B      Y    92_B     0.355     0    0.027   0.055     1.324   97.619   90.595
LGA    C    93_B      C    93_B     0.360     0    0.022   0.159     0.818  100.000   98.413
LGA    A    94_B      A    94_B     0.369     0    0.029   0.030     0.435  100.000  100.000
LGA    A    95_B      A    95_B     0.332     0    0.049   0.060     0.537  100.000   98.095
LGA    Y    96_B      Y    96_B     0.576     0    0.182   0.570     2.336   92.857   82.540
LGA    W    97_B      W    97_B     2.487     0    0.592   0.522     5.070   57.976   42.041
LGA    K    98_B      K    98_B     3.531     0    0.023   0.633    14.348   55.595   27.884
LGA    G    99_B      G    99_B     4.586     0    0.058   0.058     6.212   34.286   34.286
LGA    Y   100_B      Y   100_B     2.842     0    0.268   1.234    10.795   53.690   32.421
LGA    K   101_B      K   101_B     4.338     0    0.174   0.685    13.465   36.429   18.466
LGA    Y   102_B      Y   102_B     4.663     0    0.678   1.189    11.245   32.500   13.532
LGA    H   103_B      H   103_B     4.069     0    0.031   0.993     9.639   45.357   26.714
LGA    P   104_B      P   104_B     6.912     0    0.350   0.489    10.366   16.310   10.204
LGA    K   105_B      K   105_B     1.782     0    0.286   0.905     6.399   69.286   55.291
LGA    F   106_B      F   106_B     1.102     0    0.435   0.517     2.739   73.214   85.065
LGA    D   107_B      D   107_B     1.347     0    0.063   0.154     2.232   81.429   75.119
LGA    D   108_B      D   108_B     1.796     0    0.037   0.917     2.740   68.810   68.929
LGA    S   109_B      S   109_B     3.448     0    0.031   0.038     4.216   50.119   45.794
LGA    A   110_B      A   110_B     3.001     0    0.092   0.092     3.119   55.476   54.381
LGA    Y   111_B      Y   111_B     0.814     0    0.153   0.167     1.439   88.214   92.103
LGA    E   112_B      E   112_B     0.491     0    0.015   0.629     1.778   97.619   91.746
LGA    Y   113_B      Y   113_B     0.202     0    0.031   0.116     0.413  100.000  100.000
LGA    W   114_B      W   114_B     0.513     0    0.061   0.120     0.940   92.857   91.156
LGA    G   115_B      G   115_B     0.832     0    0.119   0.119     0.832   90.476   90.476
LGA    Q   116_B      Q   116_B     1.312     0    0.631   1.308     4.181   70.476   65.873
LGA    G   117_B      G   117_B     0.497     0    0.025   0.025     0.511   97.619   97.619
LGA    T   118_B      T   118_B     0.344     0    0.061   0.220     1.350   97.619   93.265
LGA    Q   119_B      Q   119_B     0.383     0    0.020   0.901     3.666   97.619   83.175
LGA    V   120_B      V   120_B     0.390     0    0.033   0.059     0.482  100.000  100.000
LGA    T   121_B      T   121_B     0.480     0    0.042   0.130     0.758  100.000   97.279
LGA    V   122_B      V   122_B     0.454     0    0.120   0.129     0.550   97.619   98.639
LGA    S   123_B      S   123_B     0.773     0    0.148   0.222     1.050   88.214   92.143
LGA    S   124_B      S   124_B     2.306     0    0.510   0.547     3.493   66.905   62.460

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     941    941  100.00               124
SUMMARY(RMSD_GDC):     1.675          1.702                  2.539           85.364   80.745

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    120    1.39    89.516    93.853     8.029

LGA_LOCAL      RMSD:   1.395  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.680  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.675  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.968339 * X  +   0.200852 * Y  +  -0.148247 * Z  +  15.369955
  Y_new =  -0.249599 * X  +  -0.789429 * Y  +   0.560805 * Z  + -31.675329
  Z_new =  -0.004391 * X  +   0.580052 * Y  +   0.814568 * Z  +   8.553539 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.889324  0.004391  0.618799   [DEG: -165.5461    0.2516   35.4546 ]
ZXZ: -2.883158  0.618813 -0.007570   [DEG: -165.1928   35.4554   -0.4337 ]
 
# END of job
