
#######################################################
#                                                     #
#                        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   99 (  750),  selected   99 , name one
# Molecule2: number of CA atoms  176 ( 1334),  selected   99 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    99      51_A - 149_A       2.14     2.14
  LCS_AVERAGE:     56.25

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97      51_A - 147_A       2.00     2.15
  LCS_AVERAGE:     54.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      51_A - 90_A        1.00     2.42
  LCS_AVERAGE:     13.71

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   99
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     Q    51_A     Q    51_A     40   97   99      3   11   57   80   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     C    52_A     C    52_A     40   97   99     15   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     T    53_A     T    53_A     40   97   99     15   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     W    54_A     W    54_A     40   97   99     15   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Y    55_A     Y    55_A     40   97   99     15   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     A    56_A     A    56_A     40   97   99     14   39   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Y    57_A     Y    57_A     40   97   99     15   40   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     N    58_A     N    58_A     40   97   99     15   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     R    59_A     R    59_A     40   97   99     14   32   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     R    60_A     R    60_A     40   97   99      8   30   58   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G    61_A     G    61_A     40   97   99     14   32   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Q    62_A     Q    62_A     40   97   99      8   30   57   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     L    63_A     L    63_A     40   97   99      8   25   54   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G    64_A     G    64_A     40   97   99     11   31   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     I    65_A     I    65_A     40   97   99     14   31   62   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     P    66_A     P    66_A     40   97   99      8   31   58   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     V    67_A     V    67_A     40   97   99      8   23   53   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     P    68_A     P    68_A     40   97   99      6   30   58   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     L    69_A     L    69_A     40   97   99     11   36   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     W    70_A     W    70_A     40   97   99      5   31   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G    71_A     G    71_A     40   97   99     14   31   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     D    72_A     D    72_A     40   97   99     14   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     A    73_A     A    73_A     40   97   99     15   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     A    74_A     A    74_A     40   97   99     15   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     D    75_A     D    75_A     40   97   99     12   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     W    76_A     W    76_A     40   97   99     15   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     I    77_A     I    77_A     40   97   99     14   36   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G    78_A     G    78_A     40   97   99      7   31   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G    79_A     G    79_A     40   97   99      8   41   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     A    80_A     A    80_A     40   97   99     15   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     K    81_A     K    81_A     40   97   99     14   31   60   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G    82_A     G    82_A     40   97   99      4   31   60   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     A    83_A     A    83_A     40   97   99     12   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G    84_A     G    84_A     40   97   99     13   40   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Y    85_A     Y    85_A     40   97   99      7   39   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G    86_A     G    86_A     40   97   99      4   31   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     V    87_A     V    87_A     40   97   99      4   40   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G    88_A     G    88_A     40   97   99     17   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     R    89_A     R    89_A     40   97   99     18   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     T    90_A     T    90_A     40   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     P    91_A     P    91_A     27   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     K    92_A     K    92_A     19   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Q    93_A     Q    93_A     19   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G    94_A     G    94_A     19   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     A    95_A     A    95_A     19   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     C    96_A     C    96_A     19   97   99     24   41   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     V    97_A     V    97_A     19   97   99     22   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     I    98_A     I    98_A     19   97   99     18   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     W    99_A     W    99_A     19   97   99     17   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Q   100_A     Q   100_A     19   97   99     12   41   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     R   101_A     R   101_A     19   97   99     12   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G   102_A     G   102_A     18   97   99      4   24   53   80   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     V   103_A     V   103_A     18   97   99      4   30   60   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Q   104_A     Q   104_A     18   97   99     12   36   61   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G   105_A     G   105_A      9   97   99      3    8   15   22   40   59   87   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G   106_A     G   106_A     17   97   99      6   20   46   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     S   107_A     S   107_A     17   97   99      6   36   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     P   108_A     P   108_A     17   97   99      5   40   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Q   109_A     Q   109_A     17   97   99     17   36   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Y   110_A     Y   110_A     17   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G   111_A     G   111_A     17   97   99     23   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     H   112_A     H   112_A     17   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     V   113_A     V   113_A     17   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     A   114_A     A   114_A     17   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     F   115_A     F   115_A     17   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     V   116_A     V   116_A     17   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     E   117_A     E   117_A     17   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     K   118_A     K   118_A     17   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     V   119_A     V   119_A     17   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     L   120_A     L   120_A     17   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     D   121_A     D   121_A     17   97   99      9   41   60   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G   122_A     G   122_A     17   97   99      4   24   59   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G   123_A     G   123_A      5   97   99      4    8   30   68   83   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     K   124_A     K   124_A      3   97   99      2    3   17   28   52   74   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     K   125_A     K   125_A      8   97   99      7   37   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     I   126_A     I   126_A      8   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     F   127_A     F   127_A      8   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     I   128_A     I   128_A      8   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     S   129_A     S   129_A      8   97   99     18   37   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     E   130_A     E   130_A      8   97   99      5   22   43   73   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     H   131_A     H   131_A      8   97   99      4   11   26   38   74   84   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     N   132_A     N   132_A      8   97   99      5   11   26   37   74   84   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Y   133_A     Y   133_A      7   97   99      3    7   11   24   79   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     A   134_A     A   134_A      6   97   99      3    5   10   17   81   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     T   135_A     T   135_A      6   97   99      5   15   30   41   70   86   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     P   136_A     P   136_A      6   97   99      3    4   15   29   46   72   87   94   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     N   137_A     N   137_A     10   97   99      3    8   12   19   35   42   53   79   93   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G   138_A     G   138_A     10   97   99      3    7   21   34   49   78   89   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     Y   139_A     Y   139_A     10   97   99      7   18   41   51   76   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     G   140_A     G   140_A     10   97   99      7   32   48   74   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     T   141_A     T   141_A     10   97   99     15   37   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     R   142_A     R   142_A     10   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     T   143_A     T   143_A     10   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     I   144_A     I   144_A     10   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     D   145_A     D   145_A     10   97   99     20   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     M   146_A     M   146_A     10   97   99      6   30   56   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     S   147_A     S   147_A     10   97   99     24   42   64   81   84   87   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     S   148_A     S   148_A      9   14   99      4    6    9   21   51   86   90   95   97   98   98   99   99   99   99   99   99   99   99   99 
LCS_GDT     A   149_A     A   149_A      3   14   99      0    3    3    5    7    8   13   17   20   42   90   99   99   99   99   99   99   99   99   99 
LCS_AVERAGE  LCS_A:  41.37  (  13.71   54.16   56.25 )

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     24     42     64     81     84     87     90     95     97     98     98     99     99     99     99     99     99     99     99     99 
GDT PERCENT_AT  13.64  23.86  36.36  46.02  47.73  49.43  51.14  53.98  55.11  55.68  55.68  56.25  56.25  56.25  56.25  56.25  56.25  56.25  56.25  56.25
GDT RMS_LOCAL    0.33   0.72   1.00   1.24   1.30   1.39   1.52   1.80   1.91   2.02   2.02   2.14   2.14   2.14   2.14   2.14   2.14   2.14   2.14   2.14
GDT RMS_ALL_AT   2.41   2.29   2.20   2.21   2.21   2.22   2.20   2.15   2.15   2.15   2.15   2.14   2.14   2.14   2.14   2.14   2.14   2.14   2.14   2.14

# Checking swapping
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  D    72_A      D    72_A
#   possible swapping detected:  Y   110_A      Y   110_A
#   possible swapping detected:  F   127_A      F   127_A
#   possible swapping detected:  E   130_A      E   130_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  D   145_A      D   145_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    51_A      Q    51_A     2.709     0    0.166   1.145     5.941   60.952   46.931
LGA    C    52_A      C    52_A     0.907     0    0.089   0.188     1.401   88.214   90.556
LGA    T    53_A      T    53_A     0.714     0    0.033   1.227     3.138   90.476   79.932
LGA    W    54_A      W    54_A     0.922     0    0.026   1.491     7.667   90.476   61.293
LGA    Y    55_A      Y    55_A     0.890     0    0.052   1.524    10.294   90.476   50.238
LGA    A    56_A      A    56_A     1.225     0    0.032   0.047     1.303   81.429   81.429
LGA    Y    57_A      Y    57_A     1.072     0    0.039   1.433     8.783   83.690   51.905
LGA    N    58_A      N    58_A     0.917     0    0.059   0.909     3.127   83.690   79.762
LGA    R    59_A      R    59_A     1.380     0    0.091   1.201     5.804   75.119   56.277
LGA    R    60_A      R    60_A     1.967     0    0.025   0.883     6.332   70.833   58.355
LGA    G    61_A      G    61_A     1.434     0    0.031   0.031     1.637   79.286   79.286
LGA    Q    62_A      Q    62_A     1.763     0    0.024   0.977     4.896   72.857   65.661
LGA    L    63_A      L    63_A     1.963     0    0.114   1.401     5.228   70.833   62.143
LGA    G    64_A      G    64_A     1.379     0    0.132   0.132     1.452   81.429   81.429
LGA    I    65_A      I    65_A     1.738     0    0.140   1.429     3.415   70.833   67.976
LGA    P    66_A      P    66_A     1.942     0    0.112   0.217     2.844   66.905   71.905
LGA    V    67_A      V    67_A     2.152     0    0.032   0.112     2.628   70.833   68.299
LGA    P    68_A      P    68_A     1.986     0    0.117   0.388     2.172   70.833   70.544
LGA    L    69_A      L    69_A     1.139     0    0.572   0.902     4.070   68.214   67.857
LGA    W    70_A      W    70_A     1.186     0    0.485   1.196     6.945   73.690   58.980
LGA    G    71_A      G    71_A     1.423     0    0.307   0.307     2.736   73.214   73.214
LGA    D    72_A      D    72_A     0.893     0    0.030   0.854     2.498   90.476   81.786
LGA    A    73_A      A    73_A     0.772     0    0.042   0.051     0.907   90.476   90.476
LGA    A    74_A      A    74_A     0.875     0    0.028   0.044     1.075   88.214   88.667
LGA    D    75_A      D    75_A     0.927     0    0.046   0.393     2.160   90.476   87.321
LGA    W    76_A      W    76_A     0.698     0    0.045   0.111     0.831   90.476   96.599
LGA    I    77_A      I    77_A     1.067     0    0.028   1.536     3.577   83.690   73.869
LGA    G    78_A      G    78_A     1.506     0    0.029   0.029     1.506   79.286   79.286
LGA    G    79_A      G    79_A     1.134     0    0.026   0.026     1.134   83.690   83.690
LGA    A    80_A      A    80_A     0.827     0    0.030   0.042     1.286   90.476   88.667
LGA    K    81_A      K    81_A     1.665     0    0.590   1.300     3.127   69.286   67.989
LGA    G    82_A      G    82_A     1.777     0    0.105   0.105     1.908   77.143   77.143
LGA    A    83_A      A    83_A     0.943     0    0.097   0.094     1.115   90.476   88.667
LGA    G    84_A      G    84_A     0.760     0    0.053   0.053     1.077   88.214   88.214
LGA    Y    85_A      Y    85_A     0.874     0    0.058   0.557     2.593   88.214   83.413
LGA    G    86_A      G    86_A     1.298     0    0.103   0.103     1.298   81.429   81.429
LGA    V    87_A      V    87_A     0.924     0    0.022   0.080     1.566   90.476   85.374
LGA    G    88_A      G    88_A     0.755     0    0.034   0.034     0.755   92.857   92.857
LGA    R    89_A      R    89_A     1.233     0    0.237   0.655     3.583   81.429   66.580
LGA    T    90_A      T    90_A     1.095     0    0.030   1.059     3.198   81.429   77.007
LGA    P    91_A      P    91_A     1.436     0    0.167   0.380     2.048   75.119   75.442
LGA    K    92_A      K    92_A     1.395     0    0.080   1.039     5.764   83.690   63.915
LGA    Q    93_A      Q    93_A     1.176     0    0.382   0.949     4.428   75.357   61.852
LGA    G    94_A      G    94_A     1.635     0    0.284   0.284     2.274   70.833   70.833
LGA    A    95_A      A    95_A     1.335     0    0.055   0.075     1.459   81.429   81.429
LGA    C    96_A      C    96_A     1.407     0    0.071   0.171     2.190   85.952   80.238
LGA    V    97_A      V    97_A     0.327     0    0.036   1.221     2.625   97.619   86.122
LGA    I    98_A      I    98_A     0.455     0    0.053   0.639     2.510   95.238   87.560
LGA    W    99_A      W    99_A     0.622     0    0.027   1.078     5.146   92.857   73.946
LGA    Q   100_A      Q   100_A     1.218     0    0.060   0.880     3.420   81.429   72.328
LGA    R   101_A      R   101_A     1.083     0    0.048   1.365     6.023   73.214   58.268
LGA    G   102_A      G   102_A     2.794     0    0.122   0.122     3.944   57.619   57.619
LGA    V   103_A      V   103_A     1.992     0    0.104   0.163     2.285   66.786   69.388
LGA    Q   104_A      Q   104_A     1.972     0    0.394   1.043     4.958   60.000   47.460
LGA    G   105_A      G   105_A     4.102     0    0.120   0.120     4.762   44.167   44.167
LGA    G   106_A      G   106_A     2.068     0    0.024   0.024     2.368   68.810   68.810
LGA    S   107_A      S   107_A     1.297     0    0.077   0.702     4.143   83.690   74.127
LGA    P   108_A      P   108_A     0.916     0    0.072   0.282     1.369   90.595   87.959
LGA    Q   109_A      Q   109_A     1.063     0    0.102   0.710     3.671   85.952   78.307
LGA    Y   110_A      Y   110_A     0.268     0    0.041   0.447     4.048   95.238   78.492
LGA    G   111_A      G   111_A     0.728     0    0.027   0.027     0.728   95.238   95.238
LGA    H   112_A      H   112_A     0.274     0    0.035   0.376     2.074   97.619   89.048
LGA    V   113_A      V   113_A     0.667     0    0.055   1.160     2.410   90.476   81.837
LGA    A   114_A      A   114_A     0.931     0    0.063   0.074     1.091   88.214   88.667
LGA    F   115_A      F   115_A     1.032     0    0.050   0.203     1.572   83.690   81.472
LGA    V   116_A      V   116_A     1.042     0    0.024   0.067     1.137   81.429   85.306
LGA    E   117_A      E   117_A     1.054     0    0.026   0.198     1.467   81.429   83.439
LGA    K   118_A      K   118_A     1.189     0    0.041   1.321     7.050   83.690   63.757
LGA    V   119_A      V   119_A     1.289     0    0.054   0.074     1.449   81.429   81.429
LGA    L   120_A      L   120_A     1.465     0    0.145   1.348     5.158   69.405   59.464
LGA    D   121_A      D   121_A     2.155     0    0.157   1.223     5.682   68.810   55.060
LGA    G   122_A      G   122_A     2.032     0    0.042   0.042     3.726   61.667   61.667
LGA    G   123_A      G   123_A     2.966     0    0.325   0.325     2.966   75.714   75.714
LGA    K   124_A      K   124_A     3.927     0    0.401   1.036    10.188   52.976   28.519
LGA    K   125_A      K   125_A     1.468     0    0.514   1.051     6.122   67.619   57.196
LGA    I   126_A      I   126_A     0.789     0    0.046   0.189     0.934   90.476   90.476
LGA    F   127_A      F   127_A     0.822     0    0.051   0.305     2.027   88.214   80.823
LGA    I   128_A      I   128_A     0.973     0    0.026   0.074     1.206   85.952   87.083
LGA    S   129_A      S   129_A     1.462     0    0.088   0.673     3.762   77.143   70.794
LGA    E   130_A      E   130_A     2.393     0    0.023   0.666     5.499   59.405   49.471
LGA    H   131_A      H   131_A     4.160     0    0.394   0.891     8.022   31.310   25.619
LGA    N   132_A      N   132_A     4.428     0    0.387   1.129     8.594   34.762   22.024
LGA    Y   133_A      Y   133_A     4.397     0    0.022   0.314    11.651   40.238   18.254
LGA    A   134_A      A   134_A     3.303     0    0.095   0.093     4.966   59.167   53.619
LGA    T   135_A      T   135_A     3.719     0    0.200   0.249     6.638   48.452   36.395
LGA    P   136_A      P   136_A     5.162     0    0.687   0.935     8.793   19.881   20.612
LGA    N   137_A      N   137_A     6.923     0    0.467   1.011    12.484   19.524   10.119
LGA    G   138_A      G   138_A     4.913     0    0.171   0.171     5.713   31.786   31.786
LGA    Y   139_A      Y   139_A     3.378     0    0.103   0.835     6.792   48.333   38.016
LGA    G   140_A      G   140_A     2.353     0    0.076   0.076     2.670   64.881   64.881
LGA    T   141_A      T   141_A     1.574     0    0.039   0.135     1.898   75.000   74.082
LGA    R   142_A      R   142_A     0.815     0    0.086   0.572     2.615   90.476   76.623
LGA    T   143_A      T   143_A     0.691     0    0.070   0.084     0.792   90.476   90.476
LGA    I   144_A      I   144_A     0.283     0    0.049   0.588     1.730  100.000   95.417
LGA    D   145_A      D   145_A     0.497     0    0.121   0.775     3.164   90.833   80.179
LGA    M   146_A      M   146_A     2.069     0    0.151   1.413     8.761   75.119   50.833
LGA    S   147_A      S   147_A     0.814     0    0.147   0.132     3.246   76.310   70.000
LGA    S   148_A      S   148_A     3.412     0    0.569   1.031     6.204   50.476   43.730
LGA    A   149_A      A   149_A     7.566     0    0.085   0.098    10.282   11.071    8.857

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       99     396    396  100.00     750    750  100.00               176
SUMMARY(RMSD_GDC):     2.143          2.171                  3.062           42.311   38.632

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   99  176    4.0     95    1.80    45.028    49.478     4.998

LGA_LOCAL      RMSD:   1.801  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.154  Number of assigned atoms:   99 
Std_ASGN_ATOMS RMSD:   2.143  Standard rmsd on all 99 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.285564 * X  +   0.714474 * Y  +  -0.638733 * Z  +  34.829372
  Y_new =  -0.884445 * X  +  -0.453139 * Y  +  -0.111455 * Z  + -22.129345
  Z_new =  -0.369066 * X  +   0.533096 * Y  +   0.761314 * Z  + -47.175392 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.883104  0.378004  0.610882   [DEG: -107.8939   21.6580   35.0009 ]
ZXZ: -1.398041  0.705460 -0.605544   [DEG:  -80.1019   40.4199  -34.6951 ]
 
# END of job
