
#######################################################
#                                                     #
#                        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       1.99     2.23
  LCS_AVERAGE:     95.41

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   42   83   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V     3_B     V     3_B     79  103  106      4   29   69   85   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S     4_B     S     4_B     79  103  106      5   42   83   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     D     5_B     D     5_B     79  103  106      6   42   85   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V     6_B     V     6_B     79  103  106     38   83   87   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P     7_B     P     7_B     79  103  106     74   84   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     A    26_B     A    26_B     79  103  106     65   84   87   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    27_B     P    27_B     79  103  106      4   67   87   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    28_B     P    28_B     79  103  106      4    7   66   88   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    29_B     Y    29_B     79  103  106     12   77   87   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    30_B     Y    30_B     79  103  106     43   84   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     G    43_B     G    43_B     79  103  106     63   84   87   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     N    44_B     N    44_B     79  103  106      7   73   86   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    45_B     S    45_B     79  103  106      7   51   85   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    46_B     P    46_B     79  103  106      4   15   79   88   94   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     V    47_B     V    47_B     79  103  106     58   84   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    79_B     P    79_B     79  103  106     73   84   87   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    80_B     Y    80_B     79  103  106     66   84   87   91   95   96   98   99  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   85   91   95   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     D    82_B     D    82_B      8  103  106      4    6   10   19   51   91   97   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     P    83_B     P    83_B      8  103  106      4    6    8   12   19   32   76   95  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    84_B     S    84_B      8  103  106      4    6    8   12   14   18   25   36   58   82  102  102  102  103  104  106  106  106  106  106 
LCS_GDT     S    85_B     S    85_B      8  103  106      4    6   10   36   61   91   97   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     S    86_B     S    86_B     18  103  106      4    6   12   53   90   95   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     Y    87_B     Y    87_B     18  103  106     63   84   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  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   87   91   95   96   98   99  101  101  102  102  103  104  105  106  106  106  106  106 
LCS_GDT     H   103_B     H   103_B     18  103  106      3   49   87   91   95   96   98   99  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   56   91   95   98   99  101  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   14   19   76   84   98  102  104  105  106  106  106  106  106 
LCS_GDT     H   106_B     H   106_B      4    5  106      3    4    8   19   49   81   95   98   99  100  101  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   90   99   99  100  101  102  104  105  106  106  106  106  106 
LCS_AVERAGE  LCS_A:  84.98  (  59.54   95.41  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     87     91     95     96     98     99    101    101    102    102    103    104    105    106    106    106    106    106 
GDT PERCENT_AT  71.70  79.25  82.08  85.85  89.62  90.57  92.45  93.40  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    0.27   0.37   0.49   0.72   0.87   0.91   1.07   1.32   1.50   1.50   1.71   1.59   1.72   1.86   2.04   2.21   2.21   2.21   2.21   2.21
GDT RMS_ALL_AT   2.29   2.28   2.27   2.28   2.27   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     3.020     0    0.210   0.210     3.324   53.571   53.571
LGA    V     3_B      V     3_B     3.670     0    0.063   0.279     4.330   48.452   45.374
LGA    S     4_B      S     4_B     2.804     0    0.027   0.648     4.094   55.357   52.619
LGA    D     5_B      D     5_B     2.655     0    0.412   1.258     3.872   53.690   66.905
LGA    V     6_B      V     6_B     1.273     0    0.019   1.056     3.030   83.690   74.762
LGA    P     7_B      P     7_B     0.649     0    0.075   0.174     1.337   90.476   89.184
LGA    R     8_B      R     8_B     0.455     0    0.031   1.322     3.558  100.000   83.203
LGA    D     9_B      D     9_B     0.604     0    0.017   0.814     3.771   92.857   75.714
LGA    L    10_B      L    10_B     0.379     0    0.049   0.063     0.506   97.619   98.810
LGA    E    11_B      E    11_B     0.431     0    0.012   0.169     1.043  100.000   96.878
LGA    V    12_B      V    12_B     0.540     0    0.056   0.075     0.741   90.476   90.476
LGA    V    13_B      V    13_B     0.656     0    0.102   1.090     3.019   97.619   87.483
LGA    A    14_B      A    14_B     0.513     0    0.027   0.026     0.716   90.476   90.476
LGA    A    15_B      A    15_B     0.572     0    0.074   0.088     0.829   92.857   92.381
LGA    T    16_B      T    16_B     0.540     0    0.059   0.138     0.790   92.857   91.837
LGA    P    17_B      P    17_B     0.742     0    0.055   0.066     1.048   92.857   90.544
LGA    T    18_B      T    18_B     0.666     0    0.031   0.106     0.950   90.476   90.476
LGA    S    19_B      S    19_B     0.398     0    0.022   0.665     2.492   97.619   92.540
LGA    L    20_B      L    20_B     0.445     0    0.019   0.115     0.630  100.000   98.810
LGA    L    21_B      L    21_B     0.557     0    0.075   0.091     0.710   92.857   92.857
LGA    I    22_B      I    22_B     0.479     0    0.020   0.099     0.493  100.000  100.000
LGA    S    23_B      S    23_B     0.395     0    0.005   0.083     0.599  100.000   98.413
LGA    W    24_B      W    24_B     0.229     0    0.035   0.076     0.464  100.000  100.000
LGA    D    25_B      D    25_B     0.399     0    0.065   0.069     0.811  100.000   96.429
LGA    A    26_B      A    26_B     0.767     0    0.044   0.055     1.462   85.952   85.048
LGA    P    27_B      P    27_B     1.809     0    0.038   0.112     2.201   70.952   75.510
LGA    P    28_B      P    28_B     3.177     0    0.693   0.589     5.472   45.833   47.687
LGA    Y    29_B      Y    29_B     1.717     0    0.085   1.271     9.301   72.857   45.278
LGA    Y    30_B      Y    30_B     1.041     0    0.018   0.333     1.799   85.952   83.849
LGA    V    31_B      V    31_B     0.381     0    0.017   0.043     0.600   97.619   98.639
LGA    R    32_B      R    32_B     0.094     0    0.042   0.355     1.680  100.000   91.558
LGA    Y    33_B      Y    33_B     0.331     0    0.054   1.414     6.985  100.000   68.651
LGA    Y    34_B      Y    34_B     0.461     0    0.070   0.054     0.566   95.238   96.825
LGA    R    35_B      R    35_B     0.344     0    0.057   1.039     4.329  100.000   90.130
LGA    I    36_B      I    36_B     0.455     0    0.024   0.119     0.702  100.000   98.810
LGA    T    37_B      T    37_B     0.357     0    0.022   0.110     0.772  100.000   98.639
LGA    Y    38_B      Y    38_B     0.223     0    0.027   0.073     0.481  100.000  100.000
LGA    G    39_B      G    39_B     0.170     0    0.033   0.033     0.170  100.000  100.000
LGA    E    40_B      E    40_B     0.336     0    0.060   0.543     2.054   97.619   85.979
LGA    T    41_B      T    41_B     0.248     0    0.038   0.074     0.366  100.000  100.000
LGA    G    42_B      G    42_B     0.517     0    0.199   0.199     1.841   88.452   88.452
LGA    G    43_B      G    43_B     0.764     0    0.160   0.160     0.983   92.857   92.857
LGA    N    44_B      N    44_B     1.969     3    0.040   0.036     2.594   66.905   41.548
LGA    S    45_B      S    45_B     2.162     0    0.078   0.734     3.437   70.952   66.429
LGA    P    46_B      P    46_B     2.759     0    0.046   0.060     4.037   62.976   53.673
LGA    V    47_B      V    47_B     1.089     0    0.026   1.161     2.748   79.286   74.354
LGA    Q    48_B      Q    48_B     0.755     0    0.048   0.576     2.583   92.857   82.011
LGA    E    49_B      E    49_B     0.678     0    0.057   0.547     1.364   90.476   85.450
LGA    F    50_B      F    50_B     0.515     0    0.021   0.086     0.592   95.238   98.268
LGA    T    51_B      T    51_B     0.392     0    0.035   0.107     0.926   97.619   94.558
LGA    V    52_B      V    52_B     0.040     0    0.053   1.280     2.597  100.000   87.755
LGA    P    53_B      P    53_B     0.267     0    0.016   0.037     0.469  100.000  100.000
LGA    G    54_B      G    54_B     0.175     0    0.013   0.013     0.248  100.000  100.000
LGA    S    55_B      S    55_B     0.349     0    0.018   0.017     0.419  100.000  100.000
LGA    K    56_B      K    56_B     0.323     0    0.014   0.804     3.357  100.000   87.513
LGA    S    57_B      S    57_B     0.422     0    0.037   0.102     0.506  100.000   98.413
LGA    T    58_B      T    58_B     0.338     0    0.017   0.035     0.519  100.000   98.639
LGA    A    59_B      A    59_B     0.404     0    0.045   0.058     0.637   97.619   98.095
LGA    T    60_B      T    60_B     0.247     0    0.057   0.063     0.415  100.000  100.000
LGA    I    61_B      I    61_B     0.381     0    0.039   0.080     0.518   97.619   98.810
LGA    S    62_B      S    62_B     0.669     0    0.023   0.022     1.074   92.857   90.556
LGA    G    63_B      G    63_B     0.676     0    0.026   0.026     0.795   90.476   90.476
LGA    L    64_B      L    64_B     0.592     0    0.041   0.070     0.847   90.476   91.667
LGA    K    65_B      K    65_B     0.576     2    0.022   0.054     0.576   92.857   71.429
LGA    P    66_B      P    66_B     0.435     0    0.025   0.057     0.483  100.000  100.000
LGA    G    67_B      G    67_B     0.419     0    0.033   0.033     0.441  100.000  100.000
LGA    V    68_B      V    68_B     0.224     0    0.019   0.058     0.336  100.000  100.000
LGA    D    69_B      D    69_B     0.243     0    0.030   0.620     1.916  100.000   94.226
LGA    Y    70_B      Y    70_B     0.195     0    0.019   0.156     0.511  100.000   99.206
LGA    T    71_B      T    71_B     0.411     0    0.060   0.067     0.465  100.000  100.000
LGA    I    72_B      I    72_B     0.376     0    0.035   0.259     1.044  100.000   97.679
LGA    T    73_B      T    73_B     0.479     0    0.028   0.032     0.518  100.000   98.639
LGA    V    74_B      V    74_B     0.366     0    0.009   0.043     0.491  100.000  100.000
LGA    Y    75_B      Y    75_B     0.551     0    0.076   0.119     0.758   97.619   92.857
LGA    A    76_B      A    76_B     0.153     0    0.071   0.073     0.274  100.000  100.000
LGA    E    77_B      E    77_B     0.181     0    0.048   0.806     3.931  100.000   85.026
LGA    H    78_B      H    78_B     0.417     0    0.131   0.318     1.255   97.619   91.524
LGA    P    79_B      P    79_B     0.247     0    0.037   0.253     1.711   97.619   92.041
LGA    Y    80_B      Y    80_B     0.592     0    0.635   0.421     1.430   90.595   92.103
LGA    Y    81_B      Y    81_B     3.696     0    0.178   1.281    14.968   40.476   16.905
LGA    D    82_B      D    82_B     5.960     0    0.088   0.170     8.901   26.429   16.429
LGA    P    83_B      P    83_B     6.405     0    0.029   0.179     7.678   13.571   11.633
LGA    S    84_B      S    84_B     8.733     0    0.167   0.153    10.577    6.071    4.048
LGA    S    85_B      S    85_B     5.559     0    0.061   0.087     6.555   27.262   28.730
LGA    S    86_B      S    86_B     3.226     0    0.047   0.058     3.890   59.762   58.968
LGA    Y    87_B      Y    87_B     0.651     0    0.165   0.300     3.598   88.214   66.429
LGA    Y    88_B      Y    88_B     0.480     0    0.015   1.433     8.001  100.000   63.333
LGA    F    89_B      F    89_B     0.282     0    0.042   0.142     0.850  100.000   96.537
LGA    S    90_B      S    90_B     0.453     0    0.039   0.597     1.533   95.238   90.714
LGA    S    91_B      S    91_B     0.554     0    0.024   0.026     0.557   95.238   95.238
LGA    K    92_B      K    92_B     0.535     0    0.044   0.122     2.036   95.238   84.815
LGA    P    93_B      P    93_B     0.396     0    0.030   0.065     0.696  100.000   95.918
LGA    I    94_B      I    94_B     0.408     0    0.053   0.097     0.457  100.000  100.000
LGA    S    95_B      S    95_B     0.479     0    0.029   0.675     2.137  100.000   94.127
LGA    I    96_B      I    96_B     0.433     0    0.055   1.189     2.792  100.000   85.833
LGA    N    97_B      N    97_B     0.397     0    0.068   0.113     0.615   97.619   95.238
LGA    Y    98_B      Y    98_B     0.427     0    0.007   0.037     0.529  100.000   99.206
LGA    R    99_B      R    99_B     0.526     3    0.020   0.171     0.652   92.857   67.532
LGA    T   100_B      T   100_B     0.476     0    0.023   0.086     0.640   95.238   95.918
LGA    P   101_B      P   101_B     0.671     0    0.000   0.305     1.499   90.476   89.184
LGA    H   102_B      H   102_B     0.843     0    0.613   1.234     2.772   82.143   78.571
LGA    H   103_B      H   103_B     2.080     0    0.099   0.566     8.473   51.786   32.476
LGA    H   104_B      H   104_B     5.585     5    0.107   0.135     6.286   30.833   14.048
LGA    H   105_B      H   105_B     9.390     0    0.620   1.264    16.870    4.524    1.810
LGA    H   106_B      H   106_B     7.015     0    0.057   0.948     7.626    9.286   10.381
LGA    H   107_B      H   107_B     7.837     0    0.031   0.928     9.466    4.643    5.905

# 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):     2.212          2.193                  2.875           85.431   80.665

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     99    1.32    89.623    91.971     6.954

LGA_LOCAL      RMSD:   1.324  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.245  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.212  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.588256 * X  +  -0.597247 * Y  +   0.545207 * Z  +  15.680385
  Y_new =   0.629828 * X  +   0.084500 * Y  +   0.772124 * Z  +  16.701696
  Z_new =  -0.507219 * X  +   0.797594 * Y  +   0.326455 * Z  +  52.747597 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.322079  0.531955  1.182298   [DEG:  133.0453   30.4788   67.7407 ]
ZXZ:  2.526776  1.238245 -0.566425   [DEG:  144.7736   70.9462  -32.4538 ]
 
# END of job
