
#######################################################
#                                                     #
#                        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       1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63      33_B - 95_B        1.00     2.03
  LCS_AVERAGE:     34.69

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     16   78  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     28  124  124     29   90  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     28  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     28  124  124     36   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     28  124  124     29   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     28  124  124     29   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     28  124  124     18   90  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     28  124  124      3    4    9   57  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     28  124  124      3    5   15   23   86  113  116  118  120  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B      5  124  124      3    4   23   51  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B     22  124  124      3   39   88  106  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     22  124  124      6   25   71  102  110  113  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     22  124  124     29   90  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     63  124  124     48   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     63  124  124      5   73  100  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     63  124  124      4   88  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     63  124  124     51   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     63  124  124     60   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     63  124  124     60   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     63  124  124      3    3   28   82  111  115  116  118  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B     63  124  124      3    3    6    7   64  106  116  118  119  121  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     63  124  124      3    3    3   57   86  107  113  118  119  120  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     63  124  124     13   88  101  107  111  115  116  118  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     63  124  124     55   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     63  124  124     61   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     63  124  124     61   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     63  124  124     41   89  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     63  124  124     25   89  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     63  124  124     61   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     63  124  124     62   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     63  124  124     60   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     63  124  124     60   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     63  124  124     62   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     63  124  124     43   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     63  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     45  124  124     57   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     45  124  124     60   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     45  124  124      4   86  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B      4  124  124      3    4    5    5    6   39   88  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      4  124  124      3    4    9   15   41  107  113  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      4  124  124      3    4    9   15   36   77  111  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      4  124  124      3   12   21   54  101  112  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      4  124  124      3    5    6  100  110  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B      4  124  124      5   11   16   23   32   64   87  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B     11  124  124      3   55   95  106  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B     18  124  124     18   58   98  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     18  124  124     22   90  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     18  124  124      5   89  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     18  124  124      6   24   92  104  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     18  124  124      5   41   94  106  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     18  124  124     60   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     18  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     18  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     18  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     18  124  124     21   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     18  124  124     30   89  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     18  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     18  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     18  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     18  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     18  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     18  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     18  124  124     63   92  101  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     16  124  124      3   63   97  107  111  115  116  119  121  122  123  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  78.23  (  34.69  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     63     92    101    107    111    115    116    119    121    122    123    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  50.81  74.19  81.45  86.29  89.52  92.74  93.55  95.97  97.58  98.39  99.19 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.49   0.63   0.75   0.91   1.09   1.13   1.55   1.58   1.65   1.68   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76
GDT RMS_ALL_AT   1.82   1.82   1.81   1.81   1.79   1.78   1.78   1.78   1.77   1.77   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76

# 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:  E    86_B      E    86_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  F   106_B      F   106_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     2.331     0    0.567   1.043     9.000   66.786   38.201
LGA    V     2_B      V     2_B     1.715     0    0.033   0.964     3.334   72.976   69.660
LGA    Q     3_B      Q     3_B     0.793     0    0.023   0.936     5.651   88.214   70.106
LGA    L     4_B      L     4_B     0.336     0    0.021   0.101     0.541  100.000   97.619
LGA    V     5_B      V     5_B     0.115     0    0.032   0.089     0.300  100.000  100.000
LGA    E     6_B      E     6_B     0.396     0    0.042   0.809     2.397  100.000   89.947
LGA    S     7_B      S     7_B     0.513     0    0.055   0.074     0.598   92.857   92.063
LGA    G     8_B      G     8_B     0.545     0    0.086   0.086     0.783   90.476   90.476
LGA    G     9_B      G     9_B     0.544     0    0.142   0.142     1.452   88.214   88.214
LGA    G    10_B      G    10_B     0.239     0    0.051   0.051     0.553   97.619   97.619
LGA    S    11_B      S    11_B     0.309     0    0.051   0.708     2.601  100.000   92.857
LGA    V    12_B      V    12_B     0.366     0    0.116   1.040     2.375   97.619   88.571
LGA    Q    13_B      Q    13_B     0.688     0    0.027   0.873     2.478   90.476   82.751
LGA    A    14_B      A    14_B     0.362     0    0.022   0.039     0.412  100.000  100.000
LGA    G    15_B      G    15_B     0.503     0    0.044   0.044     0.503   97.619   97.619
LGA    G    16_B      G    16_B     0.532     0    0.046   0.046     0.761   90.476   90.476
LGA    S    17_B      S    17_B     0.415     0    0.044   0.084     0.495  100.000  100.000
LGA    L    18_B      L    18_B     0.530     0    0.025   0.645     2.280   95.238   87.440
LGA    R    19_B      R    19_B     0.358     0    0.009   1.252     6.314  100.000   80.216
LGA    L    20_B      L    20_B     0.281     0    0.019   0.127     0.520  100.000   98.810
LGA    S    21_B      S    21_B     0.465     0    0.037   0.678     1.772  100.000   93.889
LGA    C    22_B      C    22_B     0.348     0    0.029   0.069     0.606   95.238   95.238
LGA    A    23_B      A    23_B     0.774     0    0.047   0.076     0.819   92.857   92.381
LGA    A    24_B      A    24_B     0.895     0    0.073   0.093     1.432   85.952   85.048
LGA    S    25_B      S    25_B     0.868     0    0.019   0.637     2.293   90.476   86.190
LGA    G    26_B      G    26_B     1.479     0    0.622   0.622     1.479   83.690   83.690
LGA    S    27_B      S    27_B     4.075     0    0.691   0.789     6.020   33.929   32.222
LGA    T    28_B      T    28_B     5.365     0    0.123   1.052     9.437   36.071   24.694
LGA    V    29_B      V    29_B     3.494     0    0.656   0.589     6.529   45.119   34.490
LGA    S    30_B      S    30_B     2.631     0    0.311   0.576     3.749   57.500   58.651
LGA    A    31_B      A    31_B     2.725     0    0.069   0.073     3.785   57.619   54.762
LGA    Y    32_B      Y    32_B     0.920     0    0.089   1.392     7.431   95.238   63.492
LGA    Y    33_B      Y    33_B     0.589     0    0.084   0.477     3.382   90.595   75.079
LGA    M    34_B      M    34_B     0.718     0    0.035   0.885     2.797   90.476   82.143
LGA    A    35_B      A    35_B     0.774     0    0.052   0.064     0.930   90.476   90.476
LGA    W    36_B      W    36_B     0.617     0    0.044   0.110     0.671   90.476   95.238
LGA    F    37_B      F    37_B     0.574     0    0.040   0.095     1.210   92.857   88.874
LGA    R    38_B      R    38_B     0.362     0    0.050   0.546     1.545   97.619   91.515
LGA    Q    39_B      Q    39_B     0.384     0    0.041   0.170     0.805  100.000   98.942
LGA    A    40_B      A    40_B     0.932     0    0.050   0.046     1.425   85.952   85.048
LGA    P    41_B      P    41_B     1.979     0    0.659   0.772     4.465   61.905   66.667
LGA    G    42_B      G    42_B     1.819     0    0.068   0.068     1.953   72.857   72.857
LGA    K    43_B      K    43_B     1.522     0    0.043   0.606     1.846   77.143   79.577
LGA    G    44_B      G    44_B     1.466     0    0.122   0.122     1.473   81.429   81.429
LGA    R    45_B      R    45_B     0.491     0    0.057   0.712     2.268   90.595   82.597
LGA    E    46_B      E    46_B     0.509     0    0.021   0.197     0.980   90.476   91.534
LGA    G    47_B      G    47_B     0.595     0    0.047   0.047     0.676   90.476   90.476
LGA    V    48_B      V    48_B     0.436     0    0.023   0.070     0.514   95.238   95.918
LGA    A    49_B      A    49_B     0.516     0    0.049   0.056     0.748   92.857   94.286
LGA    V    50_B      V    50_B     0.842     0    0.029   1.009     3.251   90.476   83.401
LGA    I    51_B      I    51_B     0.819     0    0.072   0.997     2.884   75.714   74.464
LGA    G    52_B      G    52_B     3.674     0    0.291   0.291     4.926   42.262   42.262
LGA    G    53_B      G    53_B     5.347     0    0.579   0.579     5.347   30.119   30.119
LGA    S    54_B      S    54_B     5.624     0    0.540   0.834     7.351   19.762   17.698
LGA    G    55_B      G    55_B     2.253     0    0.024   0.024     2.761   60.952   60.952
LGA    V    56_B      V    56_B     1.555     0    0.030   0.093     2.415   79.405   75.442
LGA    Y    57_B      Y    57_B     1.111     0    0.055   0.137     1.479   81.429   84.444
LGA    A    58_B      A    58_B     1.122     0    0.016   0.020     1.262   83.690   83.238
LGA    D    59_B      D    59_B     1.540     0    0.031   0.123     1.767   75.000   75.000
LGA    A    60_B      A    60_B     1.635     0    0.017   0.022     1.696   75.000   74.571
LGA    V    61_B      V    61_B     1.198     0    0.022   0.102     1.333   81.429   82.721
LGA    K    62_B      K    62_B     1.211     0    0.019   0.623     2.595   79.286   74.921
LGA    G    63_B      G    63_B     1.245     0    0.009   0.009     1.330   81.429   81.429
LGA    R    64_B      R    64_B     1.092     0    0.026   0.215     1.891   85.952   80.736
LGA    F    65_B      F    65_B     0.748     0    0.013   0.074     0.952   90.476   90.476
LGA    T    66_B      T    66_B     0.557     0    0.035   0.106     1.091   95.238   91.905
LGA    I    67_B      I    67_B     0.313     0    0.031   0.072     0.572   97.619   98.810
LGA    S    68_B      S    68_B     0.381     0    0.014   0.111     0.442  100.000  100.000
LGA    Q    69_B      Q    69_B     0.357     0    0.082   0.516     2.139  100.000   92.910
LGA    D    70_B      D    70_B     0.155     0    0.078   0.076     0.349  100.000  100.000
LGA    N    71_B      N    71_B     0.382     0    0.017   1.003     2.602  100.000   88.869
LGA    A    72_B      A    72_B     0.435     0    0.044   0.046     0.912   95.238   96.190
LGA    K    73_B      K    73_B     0.965     0    0.101   1.052     2.961   90.476   81.852
LGA    N    74_B      N    74_B     0.769     0    0.033   0.733     1.995   90.476   87.143
LGA    T    75_B      T    75_B     0.304     0    0.064   0.061     0.327  100.000  100.000
LGA    L    76_B      L    76_B     0.373     0    0.055   0.709     2.436   97.619   89.762
LGA    Y    77_B      Y    77_B     0.288     0    0.024   0.165     0.481  100.000  100.000
LGA    L    78_B      L    78_B     0.373     0    0.007   0.054     0.437  100.000  100.000
LGA    Q    79_B      Q    79_B     0.462     0    0.049   0.835     3.298  100.000   86.455
LGA    M    80_B      M    80_B     0.692     0    0.040   0.102     0.866   90.476   90.476
LGA    N    81_B      N    81_B     0.666     0    0.031   0.254     1.727   90.476   87.143
LGA    S    82_B      S    82_B     0.450     0    0.024   0.027     0.526   97.619   98.413
LGA    L    83_B      L    83_B     0.416     0    0.061   0.055     0.574  100.000   96.429
LGA    K    84_B      K    84_B     0.427     0    0.047   1.114     5.479  100.000   81.429
LGA    P    85_B      P    85_B     0.731     0    0.665   0.669     3.455   78.095   83.401
LGA    E    86_B      E    86_B     0.963     0    0.055   1.188     6.371   95.238   66.878
LGA    D    87_B      D    87_B     0.240     0    0.056   0.116     0.600   97.619   98.810
LGA    T    88_B      T    88_B     0.418     0    0.033   0.117     0.786   95.238   97.279
LGA    A    89_B      A    89_B     0.612     0    0.031   0.032     0.629   95.238   94.286
LGA    M    90_B      M    90_B     0.375     0    0.040   0.258     1.302  100.000   95.357
LGA    Y    91_B      Y    91_B     0.346     0    0.042   0.102     0.548   97.619   98.413
LGA    Y    92_B      Y    92_B     0.539     0    0.017   0.059     1.322   92.857   88.254
LGA    C    93_B      C    93_B     0.608     0    0.031   0.164     1.106   90.476   88.968
LGA    A    94_B      A    94_B     0.839     0    0.017   0.023     0.898   90.476   90.476
LGA    A    95_B      A    95_B     0.735     0    0.041   0.041     0.834   92.857   92.381
LGA    Y    96_B      Y    96_B     0.549     0    0.150   0.645     2.757   90.476   76.944
LGA    W    97_B      W    97_B     1.504     0    0.061   0.167     4.734   77.143   55.714
LGA    K    98_B      K    98_B     2.718     0    0.100   0.673    13.795   69.048   35.344
LGA    G    99_B      G    99_B     5.012     0    0.236   0.236     6.746   30.714   30.714
LGA    Y   100_B      Y   100_B     4.939     0    0.358   1.179    12.064   25.357   16.151
LGA    K   101_B      K   101_B     5.676     0    0.306   0.804     7.648   22.738   16.614
LGA    Y   102_B      Y   102_B     4.343     0    0.663   1.375    13.947   31.190   15.159
LGA    H   103_B      H   103_B     2.666     0    0.192   1.091     7.454   64.881   39.524
LGA    P   104_B      P   104_B     5.892     0    0.091   0.351     9.008   25.357   17.007
LGA    K   105_B      K   105_B     1.885     0    0.271   0.920     4.516   66.905   58.148
LGA    F   106_B      F   106_B     1.628     0    0.551   0.601     3.742   65.595   62.597
LGA    D   107_B      D   107_B     1.027     0    0.142   0.289     1.358   85.952   83.690
LGA    D   108_B      D   108_B     1.219     0    0.015   0.909     2.042   81.429   79.405
LGA    S   109_B      S   109_B     2.362     0    0.051   0.052     3.028   64.881   61.111
LGA    A   110_B      A   110_B     2.101     0    0.057   0.053     2.335   68.810   68.000
LGA    Y   111_B      Y   111_B     0.521     0    0.145   0.167     0.810   92.857   95.238
LGA    E   112_B      E   112_B     0.542     0    0.019   0.571     2.994   95.238   85.926
LGA    Y   113_B      Y   113_B     0.580     0    0.035   0.133     0.605   90.476   95.238
LGA    W   114_B      W   114_B     0.652     0    0.053   0.136     1.065   88.214   93.912
LGA    G   115_B      G   115_B     0.918     0    0.109   0.109     1.166   88.214   88.214
LGA    Q   116_B      Q   116_B     1.516     0    0.634   1.306     4.240   64.048   63.016
LGA    G   117_B      G   117_B     0.735     0    0.023   0.023     0.849   90.476   90.476
LGA    T   118_B      T   118_B     0.391     0    0.067   0.230     1.228   97.619   94.626
LGA    Q   119_B      Q   119_B     0.415     0    0.020   0.902     3.513   97.619   83.968
LGA    V   120_B      V   120_B     0.371     0    0.035   0.059     0.429  100.000  100.000
LGA    T   121_B      T   121_B     0.532     0    0.036   0.125     0.840   92.857   91.837
LGA    V   122_B      V   122_B     0.446     0    0.130   0.137     0.475  100.000  100.000
LGA    S   123_B      S   123_B     0.812     0    0.087   0.651     2.533   90.476   86.508
LGA    S   124_B      S   124_B     1.886     0    0.315   0.363     3.405   73.214   65.476

# 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):     1.761          1.818                  2.522           83.619   79.393

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    119    1.55    89.113    93.683     7.223

LGA_LOCAL      RMSD:   1.548  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.779  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.761  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.078749 * X  +  -0.404787 * Y  +  -0.911014 * Z  +  16.631113
  Y_new =  -0.975390 * X  +  -0.157502 * Y  +   0.154296 * Z  + -31.399500
  Z_new =  -0.205944 * X  +   0.900744 * Y  +  -0.382422 * Z  +   7.643381 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.651358  0.207428  1.972296   [DEG:  -94.6158   11.8848  113.0042 ]
ZXZ: -1.738572  1.963212 -0.224774   [DEG:  -99.6128  112.4838  -12.8786 ]
 
# END of job
