
#######################################################
#                                                     #
#                        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       2.21     2.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       2_B - 104_B       1.80     2.25
  LONGEST_CONTINUOUS_SEGMENT:   103       3_B - 105_B       2.00     2.23
  LCS_AVERAGE:     95.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       2_B - 80_B        0.93     2.31
  LCS_AVERAGE:     59.54

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     79  103  106      4   45   86   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V     3_B     V     3_B     79  103  106      4   34   69   89   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S     4_B     S     4_B     79  103  106      4   45   80   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     D     5_B     D     5_B     79  103  106      7   45   86   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V     6_B     V     6_B     79  103  106     44   83   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P     7_B     P     7_B     79  103  106     71   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     R     8_B     R     8_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     D     9_B     D     9_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     L    10_B     L    10_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     E    11_B     E    11_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V    12_B     V    12_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V    13_B     V    13_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     A    14_B     A    14_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     A    15_B     A    15_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     T    16_B     T    16_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    17_B     P    17_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     T    18_B     T    18_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    19_B     S    19_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     L    20_B     L    20_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     L    21_B     L    21_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     I    22_B     I    22_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    23_B     S    23_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     W    24_B     W    24_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     D    25_B     D    25_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     A    26_B     A    26_B     79  103  106     58   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    27_B     P    27_B     79  103  106      3   69   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    28_B     P    28_B     79  103  106      3   21   47   86   94   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    29_B     Y    29_B     79  103  106     16   81   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    30_B     Y    30_B     79  103  106     41   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V    31_B     V    31_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     R    32_B     R    32_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    33_B     Y    33_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    34_B     Y    34_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     R    35_B     R    35_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     I    36_B     I    36_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     T    37_B     T    37_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    38_B     Y    38_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     G    39_B     G    39_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     E    40_B     E    40_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     T    41_B     T    41_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     G    42_B     G    42_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     G    43_B     G    43_B     79  103  106     64   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     N    44_B     N    44_B     79  103  106     22   73   87   90   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    45_B     S    45_B     79  103  106      9   41   87   89   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    46_B     P    46_B     79  103  106      4   19   72   87   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V    47_B     V    47_B     79  103  106     52   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Q    48_B     Q    48_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     E    49_B     E    49_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     F    50_B     F    50_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     T    51_B     T    51_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V    52_B     V    52_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    53_B     P    53_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     G    54_B     G    54_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    55_B     S    55_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     K    56_B     K    56_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    57_B     S    57_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     T    58_B     T    58_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     A    59_B     A    59_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     T    60_B     T    60_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     I    61_B     I    61_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    62_B     S    62_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     G    63_B     G    63_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     L    64_B     L    64_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     K    65_B     K    65_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    66_B     P    66_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     G    67_B     G    67_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V    68_B     V    68_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     D    69_B     D    69_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    70_B     Y    70_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     T    71_B     T    71_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     I    72_B     I    72_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     T    73_B     T    73_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V    74_B     V    74_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    75_B     Y    75_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     A    76_B     A    76_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     E    77_B     E    77_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     H    78_B     H    78_B     79  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    79_B     P    79_B     79  103  106     75   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    80_B     Y    80_B     79  103  106     68   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    81_B     Y    81_B     78  103  106      3    6   23   84   91   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     D    82_B     D    82_B      8  103  106      5    6    9   19   46   87   97  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    83_B     P    83_B      8  103  106      5    6    8   12   19   30   68   94  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    84_B     S    84_B      8  103  106      5    6    8   12   14   18   25   36   58   83  102  102  102  103  104  106  106  106  106  106 
LCS_GDT     S    85_B     S    85_B      8  103  106      5    6   10   34   58   91   97  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    86_B     S    86_B     18  103  106      5    6   12   58   90   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    87_B     Y    87_B     18  103  106     67   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    88_B     Y    88_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     F    89_B     F    89_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    90_B     S    90_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    91_B     S    91_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     K    92_B     K    92_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    93_B     P    93_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     I    94_B     I    94_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    95_B     S    95_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     I    96_B     I    96_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     N    97_B     N    97_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    98_B     Y    98_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     R    99_B     R    99_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     T   100_B     T   100_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P   101_B     P   101_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     H   102_B     H   102_B     18  103  106     76   84   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     H   103_B     H   103_B     18  103  106      3   69   88   91   95   96   98  100  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     H   104_B     H   104_B      4  103  106      3    4    6   22   51   91   95   98   99  100  101  102  103  104  105  106  106  106  106  106 
LCS_GDT     H   105_B     H   105_B      4  103  106      3    4    6    6    7    7   12   15   26   74   82  101  102  104  105  106  106  106  106  106 
LCS_GDT     H   106_B     H   106_B      4    6  106      3    4    7   17   33   80   95   98   99  100  100  102  103  104  105  106  106  106  106  106 
LCS_GDT     H   107_B     H   107_B      3    3  106      0    3    3    3    3    7   47   89   99   99  100  101  102  104  105  106  106  106  106  106 
LCS_AVERAGE  LCS_A:  84.99  (  59.54   95.42  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     76     84     88     91     95     96     98    100    101    101    102    102    103    104    105    106    106    106    106    106 
GDT PERCENT_AT  71.70  79.25  83.02  85.85  89.62  90.57  92.45  94.34  95.28  95.28  96.23  96.23  97.17  98.11  99.06 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.25   0.36   0.52   0.69   0.85   0.90   1.06   1.37   1.50   1.50   1.72   1.59   1.73   1.86   2.04   2.21   2.21   2.21   2.21   2.21
GDT RMS_ALL_AT   2.29   2.28   2.26   2.26   2.28   2.28   2.25   2.24   2.25   2.25   2.27   2.24   2.22   2.22   2.22   2.21   2.21   2.21   2.21   2.21

# 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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     2.648     0    0.178   0.178     2.886   59.048   59.048
LGA    V     3_B      V     3_B     3.323     0    0.046   0.221     3.967   51.905   50.136
LGA    S     4_B      S     4_B     2.779     0    0.026   0.687     4.021   57.143   53.810
LGA    D     5_B      D     5_B     2.556     0    0.452   1.269     3.821   53.690   68.036
LGA    V     6_B      V     6_B     1.145     0    0.020   1.046     2.971   85.952   77.075
LGA    P     7_B      P     7_B     0.639     0    0.089   0.145     1.097   90.476   89.184
LGA    R     8_B      R     8_B     0.369     0    0.020   1.229     3.498  100.000   86.234
LGA    D     9_B      D     9_B     0.626     0    0.028   0.957     4.487   90.476   72.857
LGA    L    10_B      L    10_B     0.447     0    0.086   0.089     0.582   97.619   98.810
LGA    E    11_B      E    11_B     0.446     0    0.014   0.183     0.812   97.619   96.825
LGA    V    12_B      V    12_B     0.527     0    0.071   0.117     0.805   90.476   90.476
LGA    V    13_B      V    13_B     0.729     0    0.107   1.110     3.159   92.857   83.469
LGA    A    14_B      A    14_B     0.574     0    0.028   0.034     0.743   90.476   90.476
LGA    A    15_B      A    15_B     0.606     0    0.083   0.094     0.772   90.476   90.476
LGA    T    16_B      T    16_B     0.588     0    0.028   0.063     0.694   90.476   91.837
LGA    P    17_B      P    17_B     0.691     0    0.056   0.070     1.090   92.857   90.544
LGA    T    18_B      T    18_B     0.578     0    0.029   0.091     0.928   95.238   93.197
LGA    S    19_B      S    19_B     0.379     0    0.013   0.656     2.350  100.000   94.127
LGA    L    20_B      L    20_B     0.469     0    0.013   0.096     0.719   97.619   96.429
LGA    L    21_B      L    21_B     0.514     0    0.048   0.083     0.623   92.857   94.048
LGA    I    22_B      I    22_B     0.488     0    0.030   0.046     0.534   97.619   98.810
LGA    S    23_B      S    23_B     0.387     0    0.006   0.011     0.641  100.000   96.825
LGA    W    24_B      W    24_B     0.303     0    0.101   0.123     0.533   97.619   99.320
LGA    D    25_B      D    25_B     0.518     0    0.077   0.161     0.666   95.238   92.857
LGA    A    26_B      A    26_B     0.742     0    0.025   0.037     1.341   88.214   86.857
LGA    P    27_B      P    27_B     1.607     0    0.058   0.078     2.059   72.976   76.667
LGA    P    28_B      P    28_B     3.239     0    0.692   0.575     5.367   45.833   45.850
LGA    Y    29_B      Y    29_B     1.631     0    0.058   1.237     9.180   77.143   46.270
LGA    Y    30_B      Y    30_B     1.039     0    0.058   0.367     1.771   85.952   83.849
LGA    V    31_B      V    31_B     0.280     0    0.036   0.085     0.505   97.619   98.639
LGA    R    32_B      R    32_B     0.067     0    0.038   0.565     2.201  100.000   90.866
LGA    Y    33_B      Y    33_B     0.310     0    0.031   1.376     6.994  100.000   69.048
LGA    Y    34_B      Y    34_B     0.350     0    0.053   0.109     0.565   97.619   99.206
LGA    R    35_B      R    35_B     0.376     0    0.019   1.041     4.060  100.000   90.087
LGA    I    36_B      I    36_B     0.400     0    0.020   0.122     0.604  100.000   98.810
LGA    T    37_B      T    37_B     0.370     0    0.021   0.101     0.852  100.000   95.918
LGA    Y    38_B      Y    38_B     0.255     0    0.043   0.082     0.608  100.000   98.413
LGA    G    39_B      G    39_B     0.257     0    0.021   0.021     0.267  100.000  100.000
LGA    E    40_B      E    40_B     0.376     0    0.077   0.619     2.493   97.619   84.180
LGA    T    41_B      T    41_B     0.290     0    0.069   0.111     0.415  100.000  100.000
LGA    G    42_B      G    42_B     0.502     0    0.210   0.210     1.825   88.452   88.452
LGA    G    43_B      G    43_B     0.826     0    0.100   0.100     1.006   88.214   88.214
LGA    N    44_B      N    44_B     2.064     3    0.034   0.033     2.742   64.881   40.536
LGA    S    45_B      S    45_B     2.339     0    0.022   0.701     3.599   66.786   62.540
LGA    P    46_B      P    46_B     2.878     0    0.095   0.102     4.057   60.952   52.517
LGA    V    47_B      V    47_B     1.101     0    0.075   1.160     2.823   79.286   74.354
LGA    Q    48_B      Q    48_B     0.832     0    0.030   0.353     2.269   92.857   83.757
LGA    E    49_B      E    49_B     0.668     0    0.059   0.543     1.350   90.476   87.460
LGA    F    50_B      F    50_B     0.537     0    0.030   0.069     0.642   95.238   97.403
LGA    T    51_B      T    51_B     0.374     0    0.047   0.080     0.822  100.000   97.279
LGA    V    52_B      V    52_B     0.040     0    0.048   1.297     2.603  100.000   87.755
LGA    P    53_B      P    53_B     0.218     0    0.039   0.050     0.388  100.000  100.000
LGA    G    54_B      G    54_B     0.192     0    0.021   0.021     0.278  100.000  100.000
LGA    S    55_B      S    55_B     0.354     0    0.037   0.039     0.367  100.000  100.000
LGA    K    56_B      K    56_B     0.384     0    0.051   0.796     3.177   97.619   86.455
LGA    S    57_B      S    57_B     0.414     0    0.014   0.172     0.524   97.619   98.413
LGA    T    58_B      T    58_B     0.425     0    0.038   0.053     0.654  100.000   95.918
LGA    A    59_B      A    59_B     0.411     0    0.059   0.069     0.568   97.619   98.095
LGA    T    60_B      T    60_B     0.295     0    0.080   0.120     0.588  100.000   98.639
LGA    I    61_B      I    61_B     0.319     0    0.041   0.075     0.533   97.619   98.810
LGA    S    62_B      S    62_B     0.670     0    0.046   0.064     1.177   92.857   90.556
LGA    G    63_B      G    63_B     0.642     0    0.056   0.056     0.741   90.476   90.476
LGA    L    64_B      L    64_B     0.549     0    0.050   0.060     0.742   90.476   94.048
LGA    K    65_B      K    65_B     0.475     2    0.014   0.058     0.577  100.000   76.720
LGA    P    66_B      P    66_B     0.382     0    0.035   0.055     0.442  100.000  100.000
LGA    G    67_B      G    67_B     0.394     0    0.058   0.058     0.550   97.619   97.619
LGA    V    68_B      V    68_B     0.279     0    0.016   0.039     0.397  100.000  100.000
LGA    D    69_B      D    69_B     0.126     0    0.036   0.682     1.829  100.000   94.286
LGA    Y    70_B      Y    70_B     0.227     0    0.047   0.135     0.500  100.000  100.000
LGA    T    71_B      T    71_B     0.434     0    0.042   0.071     0.573  100.000   98.639
LGA    I    72_B      I    72_B     0.417     0    0.004   0.312     1.063   97.619   96.488
LGA    T    73_B      T    73_B     0.420     0    0.029   0.034     0.452  100.000  100.000
LGA    V    74_B      V    74_B     0.333     0    0.015   0.061     0.445  100.000  100.000
LGA    Y    75_B      Y    75_B     0.429     0    0.072   0.080     0.776  100.000   93.651
LGA    A    76_B      A    76_B     0.188     0    0.066   0.067     0.340  100.000  100.000
LGA    E    77_B      E    77_B     0.150     0    0.050   0.786     4.095  100.000   82.698
LGA    H    78_B      H    78_B     0.342     0    0.105   0.286     1.149   97.619   91.524
LGA    P    79_B      P    79_B     0.237     0    0.004   0.302     1.855   97.619   92.041
LGA    Y    80_B      Y    80_B     0.699     0    0.634   0.434     1.412   90.595   90.516
LGA    Y    81_B      Y    81_B     3.837     0    0.233   1.298    15.091   39.048   16.429
LGA    D    82_B      D    82_B     6.142     0    0.097   0.146     9.004   22.738   13.988
LGA    P    83_B      P    83_B     6.490     0    0.029   0.237     7.519   12.857   11.224
LGA    S    84_B      S    84_B     8.812     0    0.187   0.175    10.682    5.476    3.651
LGA    S    85_B      S    85_B     5.625     0    0.117   0.147     6.695   25.833   27.778
LGA    S    86_B      S    86_B     3.235     0    0.042   0.040     3.909   59.762   58.968
LGA    Y    87_B      Y    87_B     0.683     0    0.147   0.329     3.579   90.595   66.627
LGA    Y    88_B      Y    88_B     0.454     0    0.031   1.534     7.899  100.000   64.802
LGA    F    89_B      F    89_B     0.161     0    0.073   0.117     0.758  100.000   96.537
LGA    S    90_B      S    90_B     0.521     0    0.054   0.490     1.323   92.857   90.556
LGA    S    91_B      S    91_B     0.510     0    0.048   0.049     0.582   95.238   96.825
LGA    K    92_B      K    92_B     0.612     0    0.028   0.121     2.146   95.238   84.815
LGA    P    93_B      P    93_B     0.372     0    0.017   0.049     0.675  100.000   97.279
LGA    I    94_B      I    94_B     0.387     0    0.045   0.074     0.449  100.000  100.000
LGA    S    95_B      S    95_B     0.535     0    0.045   0.650     2.155   97.619   90.952
LGA    I    96_B      I    96_B     0.441     0    0.070   1.191     2.804  100.000   85.833
LGA    N    97_B      N    97_B     0.468     0    0.055   0.099     0.735   95.238   92.857
LGA    Y    98_B      Y    98_B     0.375     0    0.020   0.060     0.535  100.000   99.206
LGA    R    99_B      R    99_B     0.435     3    0.038   0.157     0.704  100.000   70.130
LGA    T   100_B      T   100_B     0.478     0    0.039   0.073     0.616   95.238   93.197
LGA    P   101_B      P   101_B     0.573     0    0.030   0.344     1.500   90.476   89.320
LGA    H   102_B      H   102_B     0.786     0    0.617   1.251     2.697   82.143   79.333
LGA    H   103_B      H   103_B     2.069     0    0.208   0.538     8.560   50.595   31.810
LGA    H   104_B      H   104_B     5.580     5    0.228   0.266     6.240   30.833   14.048
LGA    H   105_B      H   105_B     9.286     0    0.613   1.261    16.768    3.929    1.571
LGA    H   106_B      H   106_B     7.055     0    0.121   0.939     7.577    9.286   10.381
LGA    H   107_B      H   107_B     7.767     0    0.058   0.940     9.394    5.357    6.762

# 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):     2.213          2.198                  2.874           85.317   80.569

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0    100    1.37    89.858    92.093     6.822

LGA_LOCAL      RMSD:   1.366  Number of atoms:  100  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.244  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.213  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.589609 * X  +  -0.596226 * Y  +   0.544864 * Z  +  15.676565
  Y_new =   0.626403 * X  +   0.088312 * Y  +   0.774481 * Z  +  16.674774
  Z_new =  -0.509884 * X  +   0.797945 * Y  +   0.321408 * Z  +  52.769054 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.325946  0.535049  1.187883   [DEG:  133.2669   30.6561   68.0607 ]
ZXZ:  2.528507  1.243581 -0.568601   [DEG:  144.8728   71.2519  -32.5784 ]
 
# END of job
