
#######################################################
#                                                     #
#                        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  107 (  851),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  830),  selected  106 , 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:   106       2_B - 107_B       1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106       2_B - 107_B       1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       4_B - 103_B       0.99     1.84
  LCS_AVERAGE:     90.59

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     G     2_B     G     2_B     82  106  106      4   65   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V     3_B     V     3_B     82  106  106      4   30   70   93   97  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S     4_B     S     4_B    100  106  106      5   53   86   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     D     5_B     D     5_B    100  106  106      9   53   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V     6_B     V     6_B    100  106  106     59   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P     7_B     P     7_B    100  106  106     74   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     R     8_B     R     8_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     D     9_B     D     9_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     L    10_B     L    10_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     E    11_B     E    11_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    12_B     V    12_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    13_B     V    13_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     A    14_B     A    14_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     A    15_B     A    15_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    16_B     T    16_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    17_B     P    17_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    18_B     T    18_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    19_B     S    19_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     L    20_B     L    20_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     L    21_B     L    21_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    22_B     I    22_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    23_B     S    23_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     W    24_B     W    24_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     D    25_B     D    25_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     A    26_B     A    26_B    100  106  106     66   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    27_B     P    27_B    100  106  106      3   71   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    28_B     P    28_B    100  106  106      3    5   57   89   97  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    29_B     Y    29_B    100  106  106     26   77   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    30_B     Y    30_B    100  106  106     34   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    31_B     V    31_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     R    32_B     R    32_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    33_B     Y    33_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    34_B     Y    34_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     R    35_B     R    35_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    36_B     I    36_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    37_B     T    37_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    38_B     Y    38_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    39_B     G    39_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     E    40_B     E    40_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    41_B     T    41_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    42_B     G    42_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    43_B     G    43_B    100  106  106     66   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     N    44_B     N    44_B    100  106  106      8   39   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    45_B     S    45_B    100  106  106      8   79   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    46_B     P    46_B    100  106  106      8   23   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    47_B     V    47_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Q    48_B     Q    48_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     E    49_B     E    49_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     F    50_B     F    50_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    51_B     T    51_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    52_B     V    52_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    53_B     P    53_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    54_B     G    54_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    55_B     S    55_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     K    56_B     K    56_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    57_B     S    57_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    58_B     T    58_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     A    59_B     A    59_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    60_B     T    60_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    61_B     I    61_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    62_B     S    62_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    63_B     G    63_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     L    64_B     L    64_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     K    65_B     K    65_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    66_B     P    66_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    67_B     G    67_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    68_B     V    68_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     D    69_B     D    69_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    70_B     Y    70_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    71_B     T    71_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    72_B     I    72_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    73_B     T    73_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    74_B     V    74_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    75_B     Y    75_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     A    76_B     A    76_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     E    77_B     E    77_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H    78_B     H    78_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    79_B     P    79_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    80_B     Y    80_B    100  106  106     33   82   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    81_B     Y    81_B    100  106  106      4   57   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     D    82_B     D    82_B    100  106  106      4   11   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    83_B     P    83_B    100  106  106      4   27   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    84_B     S    84_B    100  106  106      4    6   17   30   89  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    85_B     S    85_B    100  106  106      5   11   45   92   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    86_B     S    86_B    100  106  106      5   18   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    87_B     Y    87_B    100  106  106     33   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    88_B     Y    88_B    100  106  106     67   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     F    89_B     F    89_B    100  106  106     72   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    90_B     S    90_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    91_B     S    91_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     K    92_B     K    92_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    93_B     P    93_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    94_B     I    94_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    95_B     S    95_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    96_B     I    96_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     N    97_B     N    97_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    98_B     Y    98_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     R    99_B     R    99_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T   100_B     T   100_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P   101_B     P   101_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H   102_B     H   102_B    100  106  106     76   83   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H   103_B     H   103_B    100  106  106      3   68   88   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H   104_B     H   104_B      4  106  106      3    5    7   22   44   81   97  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H   105_B     H   105_B      4  106  106      3    5    6    6    7    7   12   13   20   29   52  101  106  106  106  106  106  106  106  106 
LCS_GDT     H   106_B     H   106_B      4  106  106      3    5    7   11   27   48   90   98  101  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H   107_B     H   107_B      3  106  106      3    3    3    3    3    4    7   48   94  100  104  105  106  106  106  106  106  106  106  106 
LCS_AVERAGE  LCS_A:  96.86  (  90.59  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     76     83     88     93     99    101    102    102    103    104    104    105    106    106    106    106    106    106    106    106 
GDT PERCENT_AT  71.70  78.30  83.02  87.74  93.40  95.28  96.23  96.23  97.17  98.11  98.11  99.06 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.24   0.33   0.46   0.64   0.89   0.99   1.04   1.04   1.16   1.36   1.36   1.54   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76
GDT RMS_ALL_AT   1.85   1.85   1.87   1.85   1.84   1.82   1.83   1.83   1.81   1.78   1.78   1.77   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  E    77_B      E    77_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  F    89_B      F    89_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     2.018     0    0.114   0.114     2.570   62.976   62.976
LGA    V     3_B      V     3_B     2.969     0    0.056   0.464     4.232   57.262   53.333
LGA    S     4_B      S     4_B     2.470     0    0.039   0.632     3.669   62.857   59.921
LGA    D     5_B      D     5_B     2.299     0    0.436   1.262     3.547   59.405   70.893
LGA    V     6_B      V     6_B     0.799     0    0.033   1.050     2.744   92.857   82.313
LGA    P     7_B      P     7_B     0.527     0    0.073   0.150     0.862   92.857   91.837
LGA    R     8_B      R     8_B     0.231     0    0.024   1.237     3.303  100.000   83.939
LGA    D     9_B      D     9_B     0.447     0    0.031   0.936     4.107   97.619   77.321
LGA    L    10_B      L    10_B     0.295     0    0.074   0.075     0.451  100.000  100.000
LGA    E    11_B      E    11_B     0.277     0    0.015   0.139     0.626  100.000   98.942
LGA    V    12_B      V    12_B     0.295     0    0.057   0.062     0.502   97.619   98.639
LGA    V    13_B      V    13_B     0.651     0    0.111   1.115     3.005   97.619   86.190
LGA    A    14_B      A    14_B     0.368     0    0.030   0.035     0.558   97.619   98.095
LGA    A    15_B      A    15_B     0.417     0    0.072   0.080     0.514   97.619   98.095
LGA    T    16_B      T    16_B     0.402     0    0.026   0.063     0.556   95.238   97.279
LGA    P    17_B      P    17_B     0.573     0    0.059   0.071     0.909   92.857   91.837
LGA    T    18_B      T    18_B     0.501     0    0.024   0.089     0.824   95.238   93.197
LGA    S    19_B      S    19_B     0.319     0    0.010   0.655     2.304  100.000   94.127
LGA    L    20_B      L    20_B     0.418     0    0.000   0.077     0.698  100.000   98.810
LGA    L    21_B      L    21_B     0.408     0    0.057   0.084     0.512  100.000   98.810
LGA    I    22_B      I    22_B     0.380     0    0.033   0.057     0.458  100.000  100.000
LGA    S    23_B      S    23_B     0.320     0    0.006   0.014     0.472  100.000  100.000
LGA    W    24_B      W    24_B     0.248     0    0.087   0.105     0.411  100.000  100.000
LGA    D    25_B      D    25_B     0.468     0    0.070   0.182     0.584  100.000   97.619
LGA    A    26_B      A    26_B     0.654     0    0.024   0.032     1.328   88.214   86.857
LGA    P    27_B      P    27_B     1.602     0    0.052   0.100     2.017   72.976   76.667
LGA    P    28_B      P    28_B     3.186     0    0.698   0.588     5.419   45.833   46.735
LGA    Y    29_B      Y    29_B     1.711     0    0.052   1.263     9.169   72.857   44.841
LGA    Y    30_B      Y    30_B     1.082     0    0.063   0.341     1.597   85.952   84.563
LGA    V    31_B      V    31_B     0.298     0    0.036   0.082     0.539   97.619   98.639
LGA    R    32_B      R    32_B     0.178     0    0.042   0.475     2.423  100.000   90.130
LGA    Y    33_B      Y    33_B     0.301     0    0.030   1.381     7.121  100.000   67.619
LGA    Y    34_B      Y    34_B     0.255     0    0.050   0.111     0.541   97.619   99.206
LGA    R    35_B      R    35_B     0.250     0    0.025   0.716     3.171  100.000   92.900
LGA    I    36_B      I    36_B     0.273     0    0.001   0.183     0.795  100.000   98.810
LGA    T    37_B      T    37_B     0.223     0    0.019   0.081     0.609  100.000   98.639
LGA    Y    38_B      Y    38_B     0.166     0    0.035   0.043     0.456  100.000  100.000
LGA    G    39_B      G    39_B     0.181     0    0.019   0.019     0.213  100.000  100.000
LGA    E    40_B      E    40_B     0.332     0    0.073   0.536     2.216   97.619   85.979
LGA    T    41_B      T    41_B     0.224     0    0.074   0.126     0.421  100.000  100.000
LGA    G    42_B      G    42_B     0.513     0    0.195   0.195     1.707   88.452   88.452
LGA    G    43_B      G    43_B     0.845     0    0.086   0.086     0.915   90.476   90.476
LGA    N    44_B      N    44_B     1.843     3    0.020   0.024     2.275   70.833   43.512
LGA    S    45_B      S    45_B     1.693     0    0.038   0.705     2.824   75.000   71.667
LGA    P    46_B      P    46_B     2.017     0    0.075   0.081     2.853   75.119   67.415
LGA    V    47_B      V    47_B     0.746     0    0.036   0.122     1.558   85.952   85.374
LGA    Q    48_B      Q    48_B     0.589     0    0.026   0.814     3.030   95.238   86.085
LGA    E    49_B      E    49_B     0.492     0    0.024   0.227     1.575   92.857   88.571
LGA    F    50_B      F    50_B     0.380     0    0.025   0.093     0.470  100.000  100.000
LGA    T    51_B      T    51_B     0.190     0    0.049   0.065     0.810  100.000   97.279
LGA    V    52_B      V    52_B     0.483     0    0.062   0.205     1.142  100.000   95.986
LGA    P    53_B      P    53_B     0.307     0    0.059   0.076     0.547  100.000   97.279
LGA    G    54_B      G    54_B     0.197     0    0.014   0.014     0.334  100.000  100.000
LGA    S    55_B      S    55_B     0.371     0    0.056   0.053     0.412  100.000  100.000
LGA    K    56_B      K    56_B     0.320     0    0.039   0.837     2.950   97.619   87.143
LGA    S    57_B      S    57_B     0.442     0    0.015   0.221     0.625  100.000   96.825
LGA    T    58_B      T    58_B     0.315     0    0.056   0.076     0.475  100.000  100.000
LGA    A    59_B      A    59_B     0.366     0    0.050   0.067     0.475  100.000  100.000
LGA    T    60_B      T    60_B     0.401     0    0.099   0.123     0.742   97.619   95.918
LGA    I    61_B      I    61_B     0.320     0    0.041   0.138     0.515  100.000   98.810
LGA    S    62_B      S    62_B     0.605     0    0.037   0.042     1.033   95.238   92.143
LGA    G    63_B      G    63_B     0.535     0    0.056   0.056     0.652   90.476   90.476
LGA    L    64_B      L    64_B     0.409     0    0.042   0.050     0.565   97.619   98.810
LGA    K    65_B      K    65_B     0.371     2    0.011   0.064     0.535  100.000   76.720
LGA    P    66_B      P    66_B     0.272     0    0.032   0.047     0.355  100.000  100.000
LGA    G    67_B      G    67_B     0.301     0    0.047   0.047     0.376  100.000  100.000
LGA    V    68_B      V    68_B     0.188     0    0.015   0.035     0.323  100.000  100.000
LGA    D    69_B      D    69_B     0.083     0    0.027   0.696     1.862  100.000   92.024
LGA    Y    70_B      Y    70_B     0.174     0    0.053   0.111     0.421  100.000  100.000
LGA    T    71_B      T    71_B     0.328     0    0.039   0.046     0.353  100.000  100.000
LGA    I    72_B      I    72_B     0.297     0    0.006   0.312     1.025  100.000   97.679
LGA    T    73_B      T    73_B     0.231     0    0.026   0.036     0.267  100.000  100.000
LGA    V    74_B      V    74_B     0.176     0    0.022   0.065     0.239  100.000  100.000
LGA    Y    75_B      Y    75_B     0.181     0    0.059   0.090     0.459  100.000  100.000
LGA    A    76_B      A    76_B     0.355     0    0.053   0.051     0.466  100.000  100.000
LGA    E    77_B      E    77_B     0.265     0    0.046   0.785     4.286  100.000   81.640
LGA    H    78_B      H    78_B     0.444     0    0.098   0.271     0.993   97.619   93.333
LGA    P    79_B      P    79_B     0.459     0    0.032   0.292     1.511   92.976   89.388
LGA    Y    80_B      Y    80_B     1.411     0    0.611   1.443     5.815   71.429   59.802
LGA    Y    81_B      Y    81_B     2.469     0    0.094   1.389    12.031   59.167   30.437
LGA    D    82_B      D    82_B     2.572     0    0.058   0.823     4.833   64.881   55.179
LGA    P    83_B      P    83_B     1.781     0    0.023   0.271     2.477   68.810   68.231
LGA    S    84_B      S    84_B     3.591     0    0.184   0.166     4.893   50.119   43.889
LGA    S    85_B      S    85_B     2.799     0    0.068   0.126     3.029   61.190   59.841
LGA    S    86_B      S    86_B     1.573     0    0.019   0.024     1.997   81.667   78.730
LGA    Y    87_B      Y    87_B     0.977     0    0.107   0.333     2.920   90.476   72.738
LGA    Y    88_B      Y    88_B     0.699     0    0.056   1.431     7.160   92.857   64.484
LGA    F    89_B      F    89_B     0.399     0    0.132   1.267     5.482  100.000   72.641
LGA    S    90_B      S    90_B     0.448     0    0.069   0.521     1.391   95.238   92.143
LGA    S    91_B      S    91_B     0.572     0    0.036   0.073     0.619   95.238   95.238
LGA    K    92_B      K    92_B     0.504     0    0.039   0.105     2.382   95.238   84.815
LGA    P    93_B      P    93_B     0.184     0    0.016   0.045     0.424  100.000  100.000
LGA    I    94_B      I    94_B     0.215     0    0.047   0.081     0.464  100.000  100.000
LGA    S    95_B      S    95_B     0.503     0    0.055   0.642     2.045   97.619   90.952
LGA    I    96_B      I    96_B     0.406     0    0.028   0.087     0.493  100.000  100.000
LGA    N    97_B      N    97_B     0.350     0    0.040   0.049     0.588  100.000   96.429
LGA    Y    98_B      Y    98_B     0.272     0    0.016   0.042     0.357  100.000  100.000
LGA    R    99_B      R    99_B     0.256     3    0.030   0.196     0.517  100.000   71.861
LGA    T   100_B      T   100_B     0.304     0    0.042   0.066     0.469  100.000  100.000
LGA    P   101_B      P   101_B     0.354     0    0.025   0.353     1.284   95.238   93.265
LGA    H   102_B      H   102_B     0.560     0    0.616   1.245     2.555   82.143   80.286
LGA    H   103_B      H   103_B     2.101     0    0.152   0.496     8.622   50.595   31.810
LGA    H   104_B      H   104_B     5.367     5    0.200   0.235     5.928   32.262   15.048
LGA    H   105_B      H   105_B     9.688     0    0.615   1.282    17.045    3.214    1.286
LGA    H   106_B      H   106_B     7.627     0    0.086   0.954     8.331    5.952    8.143
LGA    H   107_B      H   107_B     8.005     0    0.052   0.985     9.809    4.405    5.333

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     830    830  100.00               106
SUMMARY(RMSD_GDC):     1.764          1.772                  2.542           88.671   83.786

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0    102    1.04    90.566    94.695     8.913

LGA_LOCAL      RMSD:   1.044  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.833  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   1.764  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.373974 * X  +  -0.735582 * Y  +   0.564857 * Z  +  16.649406
  Y_new =   0.580430 * X  +   0.289397 * Y  +   0.761150 * Z  +  16.067844
  Z_new =  -0.723356 * X  +   0.612510 * Y  +   0.318727 * Z  +  53.427269 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.143157  0.808651  1.090993   [DEG:  122.7939   46.3323   62.5093 ]
ZXZ:  2.503161  1.246411 -0.868185   [DEG:  143.4205   71.4141  -49.7434 ]
 
# END of job
