
#######################################################
#                                                     #
#                        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       1.83     1.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106       2_B - 107_B       1.83     1.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97       6_B - 102_B       1.00     1.93
  LCS_AVERAGE:     87.38

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     80  106  106      8   50   87   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     V     3_B     V     3_B     80  106  106      4   25   72   91   95   98  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S     4_B     S     4_B     80  106  106      4   32   74   93   95   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     D     5_B     D     5_B     80  106  106      6   48   87   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     V     6_B     V     6_B     97  106  106     57   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P     7_B     P     7_B     97  106  106     72   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     R     8_B     R     8_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     D     9_B     D     9_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     L    10_B     L    10_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     E    11_B     E    11_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     V    12_B     V    12_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     V    13_B     V    13_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     A    14_B     A    14_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     A    15_B     A    15_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     T    16_B     T    16_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P    17_B     P    17_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     T    18_B     T    18_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    19_B     S    19_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     L    20_B     L    20_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     L    21_B     L    21_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     I    22_B     I    22_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    23_B     S    23_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     W    24_B     W    24_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     D    25_B     D    25_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     A    26_B     A    26_B     97  106  106     61   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P    27_B     P    27_B     97  106  106      3   68   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P    28_B     P    28_B     97  106  106      3   24   45   91   95   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    29_B     Y    29_B     97  106  106     20   81   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    30_B     Y    30_B     97  106  106     40   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     V    31_B     V    31_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     R    32_B     R    32_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    33_B     Y    33_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    34_B     Y    34_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     R    35_B     R    35_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     I    36_B     I    36_B     97  106  106     76   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     T    37_B     T    37_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    38_B     Y    38_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     G    39_B     G    39_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     E    40_B     E    40_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     T    41_B     T    41_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     G    42_B     G    42_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     G    43_B     G    43_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     N    44_B     N    44_B     97  106  106     12   83   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    45_B     S    45_B     97  106  106     12   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P    46_B     P    46_B     97  106  106     12   81   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     V    47_B     V    47_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Q    48_B     Q    48_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     E    49_B     E    49_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     F    50_B     F    50_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     T    51_B     T    51_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     V    52_B     V    52_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P    53_B     P    53_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     G    54_B     G    54_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    55_B     S    55_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     K    56_B     K    56_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    57_B     S    57_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     T    58_B     T    58_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     A    59_B     A    59_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     T    60_B     T    60_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     I    61_B     I    61_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    62_B     S    62_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     G    63_B     G    63_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     L    64_B     L    64_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     K    65_B     K    65_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P    66_B     P    66_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     G    67_B     G    67_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     V    68_B     V    68_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     D    69_B     D    69_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    70_B     Y    70_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     T    71_B     T    71_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     I    72_B     I    72_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     T    73_B     T    73_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     V    74_B     V    74_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    75_B     Y    75_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     A    76_B     A    76_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     E    77_B     E    77_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     H    78_B     H    78_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P    79_B     P    79_B     97  106  106     68   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    80_B     Y    80_B     97  106  106     21   82   88   92   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    81_B     Y    81_B     97  106  106      3   22   85   92   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     D    82_B     D    82_B     97  106  106      4    9   25   90   95   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P    83_B     P    83_B     97  106  106      4   49   85   92   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    84_B     S    84_B     97  106  106      4    9   19   33   78   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    85_B     S    85_B     97  106  106      4    9   23   90   95   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    86_B     S    86_B     97  106  106      3   14   42   92   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    87_B     Y    87_B     97  106  106     68   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    88_B     Y    88_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     F    89_B     F    89_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    90_B     S    90_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    91_B     S    91_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     K    92_B     K    92_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P    93_B     P    93_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     I    94_B     I    94_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     S    95_B     S    95_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     I    96_B     I    96_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     N    97_B     N    97_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     Y    98_B     Y    98_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     R    99_B     R    99_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     T   100_B     T   100_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     P   101_B     P   101_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     H   102_B     H   102_B     97  106  106     77   84   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     H   103_B     H   103_B     74  106  106      3   79   88   93   96   99  102  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     H   104_B     H   104_B      4  106  106      3    4    7   28   65   90   98  102  103  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     H   105_B     H   105_B      4  106  106      3    4    6    6    6    8   11   20   24   31   64   99  105  106  106  106  106  106  106  106 
LCS_GDT     H   106_B     H   106_B      4  106  106      3    4    7   12   27   37   86   98  100  103  104  104  105  106  106  106  106  106  106  106 
LCS_GDT     H   107_B     H   107_B      3  106  106      3    3    3    3    3    4    9   52   84  100  102  104  105  106  106  106  106  106  106  106 
LCS_AVERAGE  LCS_A:  95.79  (  87.38  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     77     84     88     93     96     99    102    102    103    103    104    104    105    106    106    106    106    106    106    106 
GDT PERCENT_AT  72.64  79.25  83.02  87.74  90.57  93.40  96.23  96.23  97.17  97.17  98.11  98.11  99.06 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.36   0.45   0.71   0.81   0.99   1.16   1.16   1.27   1.27   1.45   1.45   1.63   1.83   1.83   1.83   1.83   1.83   1.83   1.83
GDT RMS_ALL_AT   1.93   1.92   1.94   1.89   1.90   1.88   1.89   1.89   1.87   1.87   1.85   1.85   1.84   1.83   1.83   1.83   1.83   1.83   1.83   1.83

# 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    87_B      Y    87_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     2.443     0    0.105   0.105     3.410   59.167   59.167
LGA    V     3_B      V     3_B     3.521     0    0.057   0.410     4.751   52.143   46.667
LGA    S     4_B      S     4_B     2.868     0    0.037   0.538     3.693   55.357   53.651
LGA    D     5_B      D     5_B     2.430     0    0.455   1.265     3.623   57.500   67.560
LGA    V     6_B      V     6_B     0.964     0    0.040   1.044     2.930   88.214   78.367
LGA    P     7_B      P     7_B     0.625     0    0.084   0.167     1.022   90.476   89.184
LGA    R     8_B      R     8_B     0.395     0    0.020   1.293     3.300   97.619   83.810
LGA    D     9_B      D     9_B     0.485     0    0.032   0.949     4.244  100.000   78.512
LGA    L    10_B      L    10_B     0.345     0    0.074   0.076     0.510   97.619   98.810
LGA    E    11_B      E    11_B     0.311     0    0.015   0.171     0.763  100.000   98.942
LGA    V    12_B      V    12_B     0.290     0    0.060   0.079     0.423  100.000  100.000
LGA    V    13_B      V    13_B     0.570     0    0.103   1.109     3.017   97.619   86.190
LGA    A    14_B      A    14_B     0.398     0    0.025   0.035     0.549   97.619   98.095
LGA    A    15_B      A    15_B     0.426     0    0.066   0.071     0.579   97.619   98.095
LGA    T    16_B      T    16_B     0.547     0    0.024   0.068     0.682   92.857   91.837
LGA    P    17_B      P    17_B     0.775     0    0.062   0.072     1.163   90.476   87.891
LGA    T    18_B      T    18_B     0.695     0    0.025   0.092     1.085   90.476   89.184
LGA    S    19_B      S    19_B     0.411     0    0.012   0.656     2.457  100.000   94.127
LGA    L    20_B      L    20_B     0.368     0    0.011   0.092     0.538  100.000   98.810
LGA    L    21_B      L    21_B     0.333     0    0.045   0.077     0.428  100.000  100.000
LGA    I    22_B      I    22_B     0.310     0    0.025   0.059     0.370  100.000  100.000
LGA    S    23_B      S    23_B     0.231     0    0.007   0.011     0.388  100.000  100.000
LGA    W    24_B      W    24_B     0.250     0    0.086   0.092     0.525   97.619   99.320
LGA    D    25_B      D    25_B     0.296     0    0.073   0.178     0.600  100.000   98.810
LGA    A    26_B      A    26_B     0.679     0    0.026   0.031     1.366   88.214   86.857
LGA    P    27_B      P    27_B     1.563     0    0.055   0.099     1.994   77.262   79.116
LGA    P    28_B      P    28_B     3.172     0    0.699   0.587     5.300   45.833   46.735
LGA    Y    29_B      Y    29_B     1.530     0    0.053   1.259     8.669   75.000   48.294
LGA    Y    30_B      Y    30_B     0.863     0    0.053   0.315     1.863   88.214   86.071
LGA    V    31_B      V    31_B     0.148     0    0.033   0.080     0.389  100.000  100.000
LGA    R    32_B      R    32_B     0.190     0    0.041   0.534     2.735  100.000   88.615
LGA    Y    33_B      Y    33_B     0.161     0    0.030   1.372     7.264  100.000   67.024
LGA    Y    34_B      Y    34_B     0.493     0    0.055   0.131     0.790   95.238   95.238
LGA    R    35_B      R    35_B     0.478     0    0.019   0.751     3.311   97.619   91.169
LGA    I    36_B      I    36_B     0.558     0    0.019   0.407     1.143   92.857   91.726
LGA    T    37_B      T    37_B     0.431     0    0.023   0.134     1.040   97.619   93.265
LGA    Y    38_B      Y    38_B     0.259     0    0.038   0.078     0.764  100.000   98.413
LGA    G    39_B      G    39_B     0.307     0    0.013   0.013     0.307  100.000  100.000
LGA    E    40_B      E    40_B     0.412     0    0.066   0.533     2.088   97.619   84.921
LGA    T    41_B      T    41_B     0.240     0    0.070   0.127     0.493  100.000  100.000
LGA    G    42_B      G    42_B     0.370     0    0.195   0.195     1.548   90.833   90.833
LGA    G    43_B      G    43_B     0.695     0    0.081   0.081     0.720   90.476   90.476
LGA    N    44_B      N    44_B     1.536     3    0.020   0.025     1.911   75.000   46.607
LGA    S    45_B      S    45_B     1.496     0    0.037   0.700     2.868   83.690   78.889
LGA    P    46_B      P    46_B     1.915     0    0.073   0.078     2.638   77.143   70.748
LGA    V    47_B      V    47_B     0.897     0    0.027   0.103     1.402   85.952   86.599
LGA    Q    48_B      Q    48_B     0.747     0    0.029   0.845     3.135   92.857   84.021
LGA    E    49_B      E    49_B     0.622     0    0.056   0.527     1.223   90.476   88.466
LGA    F    50_B      F    50_B     0.452     0    0.031   0.067     0.553   97.619   99.134
LGA    T    51_B      T    51_B     0.363     0    0.045   0.062     1.063  100.000   94.626
LGA    V    52_B      V    52_B     0.458     0    0.066   0.255     1.364  100.000   95.986
LGA    P    53_B      P    53_B     0.257     0    0.063   0.080     0.586  100.000   95.918
LGA    G    54_B      G    54_B     0.274     0    0.013   0.013     0.357  100.000  100.000
LGA    S    55_B      S    55_B     0.269     0    0.061   0.057     0.340  100.000  100.000
LGA    K    56_B      K    56_B     0.199     0    0.025   0.834     3.085   97.619   86.349
LGA    S    57_B      S    57_B     0.430     0    0.013   0.187     0.612  100.000   98.413
LGA    T    58_B      T    58_B     0.238     0    0.032   0.078     0.520  100.000   98.639
LGA    A    59_B      A    59_B     0.297     0    0.049   0.065     0.399  100.000  100.000
LGA    T    60_B      T    60_B     0.355     0    0.068   0.099     0.669   97.619   97.279
LGA    I    61_B      I    61_B     0.369     0    0.047   0.124     0.559   97.619   98.810
LGA    S    62_B      S    62_B     0.779     0    0.040   0.053     1.277   90.476   87.460
LGA    G    63_B      G    63_B     0.774     0    0.060   0.060     0.892   90.476   90.476
LGA    L    64_B      L    64_B     0.600     0    0.046   0.058     0.790   90.476   92.857
LGA    K    65_B      K    65_B     0.540     2    0.016   0.067     0.673   95.238   72.487
LGA    P    66_B      P    66_B     0.466     0    0.033   0.051     0.498  100.000  100.000
LGA    G    67_B      G    67_B     0.456     0    0.075   0.075     0.682   97.619   97.619
LGA    V    68_B      V    68_B     0.328     0    0.014   0.039     0.465  100.000  100.000
LGA    D    69_B      D    69_B     0.037     0    0.028   0.657     1.818  100.000   93.095
LGA    Y    70_B      Y    70_B     0.189     0    0.044   0.118     0.468  100.000  100.000
LGA    T    71_B      T    71_B     0.320     0    0.039   0.048     0.367  100.000  100.000
LGA    I    72_B      I    72_B     0.324     0    0.013   0.103     0.494  100.000  100.000
LGA    T    73_B      T    73_B     0.375     0    0.032   0.040     0.448  100.000  100.000
LGA    V    74_B      V    74_B     0.343     0    0.019   0.062     0.434  100.000  100.000
LGA    Y    75_B      Y    75_B     0.440     0    0.064   0.085     0.841  100.000   93.651
LGA    A    76_B      A    76_B     0.287     0    0.060   0.059     0.419  100.000  100.000
LGA    E    77_B      E    77_B     0.257     0    0.048   0.816     4.300  100.000   81.640
LGA    H    78_B      H    78_B     0.441     0    0.101   0.233     0.902   95.238   94.286
LGA    P    79_B      P    79_B     0.632     0    0.024   0.306     1.757   88.214   86.667
LGA    Y    80_B      Y    80_B     1.591     0    0.024   1.103     4.955   69.048   60.595
LGA    Y    81_B      Y    81_B     2.655     0    0.039   1.325    11.505   53.810   30.635
LGA    D    82_B      D    82_B     3.558     0    0.140   0.757     5.120   55.595   45.774
LGA    P    83_B      P    83_B     2.163     0    0.026   0.305     3.106   60.952   58.367
LGA    S    84_B      S    84_B     3.883     0    0.185   0.172     5.125   45.000   39.603
LGA    S    85_B      S    85_B     3.363     0    0.069   0.163     3.483   55.476   53.651
LGA    S    86_B      S    86_B     2.376     0    0.014   0.016     2.993   69.048   65.079
LGA    Y    87_B      Y    87_B     0.628     0    0.106   1.045     8.439   90.476   52.302
LGA    Y    88_B      Y    88_B     0.744     0    0.054   1.428     7.492   90.476   62.698
LGA    F    89_B      F    89_B     0.353     0    0.065   0.106     0.776  100.000   97.403
LGA    S    90_B      S    90_B     0.689     0    0.051   0.507     1.514   90.476   87.540
LGA    S    91_B      S    91_B     0.659     0    0.056   0.061     0.699   90.476   90.476
LGA    K    92_B      K    92_B     0.636     0    0.038   0.121     2.545   95.238   83.069
LGA    P    93_B      P    93_B     0.318     0    0.020   0.050     0.641  100.000   97.279
LGA    I    94_B      I    94_B     0.386     0    0.046   0.076     0.536  100.000   98.810
LGA    S    95_B      S    95_B     0.627     0    0.058   0.637     2.164   90.476   86.190
LGA    I    96_B      I    96_B     0.481     0    0.031   0.090     0.564  100.000   98.810
LGA    N    97_B      N    97_B     0.379     0    0.038   0.053     0.602   97.619   95.238
LGA    Y    98_B      Y    98_B     0.260     0    0.022   0.075     0.380  100.000  100.000
LGA    R    99_B      R    99_B     0.393     3    0.037   0.156     0.662  100.000   70.130
LGA    T   100_B      T   100_B     0.464     0    0.041   0.073     0.641   95.238   93.197
LGA    P   101_B      P   101_B     0.502     0    0.030   0.341     1.392   90.476   90.544
LGA    H   102_B      H   102_B     0.766     0    0.614   1.214     2.883   82.143   80.238
LGA    H   103_B      H   103_B     1.787     0    0.163   0.449     8.179   53.810   35.095
LGA    H   104_B      H   104_B     5.479     5    0.207   0.245     6.051   33.690   15.190
LGA    H   105_B      H   105_B     9.320     0    0.612   1.276    16.508    3.929    1.571
LGA    H   106_B      H   106_B     7.511     0    0.089   0.961     8.345    6.548    8.333
LGA    H   107_B      H   107_B     8.349     0    0.061   1.121     9.836    3.452    4.476

# 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):     1.830          1.841                  2.574           87.415   82.536

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0    102    1.16    90.802    94.364     8.090

LGA_LOCAL      RMSD:   1.161  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.894  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   1.830  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.484706 * X  +  -0.762231 * Y  +   0.429027 * Z  +  17.181013
  Y_new =   0.614276 * X  +   0.052539 * Y  +   0.787340 * Z  +  16.799309
  Z_new =  -0.622676 * X  +   0.645170 * Y  +   0.442754 * Z  +  53.181362 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.238836  0.672157  0.969352   [DEG:  128.2759   38.5118   55.5398 ]
ZXZ:  2.642668  1.112128 -0.767658   [DEG:  151.4137   63.7203  -43.9836 ]
 
# END of job
