
#######################################################
#                                                     #
#                        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  102 (  853),  selected   93 , name one
# Molecule2: number of CA atoms   93 (  756),  selected   93 , 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:    93      29_A - 121_A       2.26     2.26
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91      29_A - 119_A       1.95     2.29
  LCS_AVERAGE:     96.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      29_A - 106_A       0.99     2.53
  LONGEST_CONTINUOUS_SEGMENT:    78      30_A - 107_A       0.99     2.53
  LCS_AVERAGE:     73.96

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   93
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     N    29_A     N    29_A     78   91   93      5   20   62   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     78   91   93     12   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     78   91   93      9   43   72   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     78   91   93      9   42   72   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     78   91   93     11   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     78   91   93     14   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     78   91   93     12   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     78   91   93     18   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     78   91   93     18   51   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     78   91   93     10   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     78   91   93     10   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     78   91   93     10   50   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     78   91   93     10   42   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     78   91   93     10   42   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     78   91   93     10   43   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     78   91   93     10   48   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     78   91   93     14   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     78   91   93      6   17   45   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     78   91   93      6   27   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A     78   91   93      7   49   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A     78   91   93     10   30   74   77   81   83   87   88   89   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     78   91   93     11   51   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     78   91   93     11   51   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     78   91   93      9   51   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     78   91   93     11   51   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     78   91   93     11   51   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     78   91   93     19   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     78   91   93     11   48   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     78   91   93     11   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     78   91   93     11   50   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     78   91   93     11   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     78   91   93     14   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     78   91   93     14   49   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     78   91   93     14   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     78   91   93     10   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     78   91   93     14   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     78   91   93     14   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     78   91   93     20   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     78   91   93     17   53   74   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     78   91   93      9   41   71   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     39   91   93      5   25   55   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     38   91   93      6   30   57   77   81   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     27   91   93      4    6   18   50   72   82   85   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     20   91   93      8   13   31   64   78   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     12   91   93      8   11   11   14   44   83   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     11   91   93      8   11   11   31   40   76   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     11   91   93      8   11   22   32   59   79   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     11   91   93      8   12   26   47   71   80   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     11   91   93      8   11   22   34   47   79   87   88   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     11   91   93      8   11   11   24   32   45   75   84   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     11   91   93      8   11   11   22   32   48   63   82   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     11   91   93      8   11   14   26   37   52   74   84   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     11   24   93      8   11   12   24   32   39   49   64   90   91   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A     11   23   93      3   11   11   12   23   34   45   57   66   78   90   93   93   93   93   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  90.08  (  73.96   96.29  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     20     53     74     77     81     83     87     88     90     91     92     93     93     93     93     93     93     93     93     93 
GDT PERCENT_AT  21.51  56.99  79.57  82.80  87.10  89.25  93.55  94.62  96.77  97.85  98.92 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.70   0.90   0.96   1.10   1.21   1.55   1.59   1.94   1.95   2.09   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26
GDT RMS_ALL_AT   2.52   2.54   2.54   2.53   2.53   2.50   2.37   2.37   2.29   2.29   2.27   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26   2.26

# Checking swapping
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     2.100     0    0.591   0.902     7.585   75.238   46.964
LGA    I    30_A      I    30_A     0.795     0    0.031   0.785     2.166   90.595   87.321
LGA    D    31_A      D    31_A     1.334     0    0.102   0.286     3.353   83.690   70.476
LGA    E    32_A      E    32_A     1.375     0    0.057   0.843     2.898   85.952   76.931
LGA    I    33_A      I    33_A     0.766     0    0.017   0.635     2.524   92.857   83.095
LGA    I    34_A      I    34_A     0.573     0    0.029   0.149     1.469   95.238   90.595
LGA    E    35_A      E    35_A     0.571     0    0.040   0.276     1.804   92.857   85.608
LGA    N    36_A      N    36_A     0.538     0    0.018   0.203     0.969   97.619   94.048
LGA    R    37_A      R    37_A     0.401     0    0.102   1.191     8.142  100.000   61.039
LGA    K    38_A      K    38_A     0.370     0    0.086   0.863     2.287  100.000   88.889
LGA    L    39_A      L    39_A     0.492     0    0.034   0.061     0.753   97.619   95.238
LGA    L    40_A      L    40_A     0.630     0    0.014   0.093     1.037   92.857   90.536
LGA    V    41_A      V    41_A     0.488     0    0.023   0.098     0.564   97.619   95.918
LGA    P    42_A      P    42_A     0.115     0    0.019   0.081     0.436  100.000  100.000
LGA    Y    43_A      Y    43_A     0.364     0    0.062   1.373     8.318  100.000   60.317
LGA    I    44_A      I    44_A     0.473     0    0.034   0.088     0.658   97.619   95.238
LGA    K    45_A      K    45_A     0.474     0    0.069   0.094     1.266  100.000   92.698
LGA    C    46_A      C    46_A     0.370     0    0.023   0.054     0.634  100.000   98.413
LGA    T    47_A      T    47_A     0.502     0    0.122   0.278     0.974   95.238   94.558
LGA    L    48_A      L    48_A     0.181     0    0.055   0.082     0.485  100.000  100.000
LGA    D    49_A      D    49_A     0.460     0    0.045   0.214     1.445   95.238   90.595
LGA    Q    50_A      Q    50_A     1.106     0    0.163   0.860     5.919   88.214   65.132
LGA    G    51_A      G    51_A     0.595     0    0.045   0.045     0.801   90.476   90.476
LGA    R    52_A      R    52_A     0.751     0    0.045   0.867     4.004   95.238   79.394
LGA    C    53_A      C    53_A     0.605     0    0.057   0.071     0.745   90.476   90.476
LGA    T    54_A      T    54_A     0.692     0    0.028   0.080     0.882   90.476   90.476
LGA    P    55_A      P    55_A     0.935     0    0.014   0.052     1.010   88.214   89.184
LGA    E    56_A      E    56_A     1.057     0    0.044   1.609     5.940   83.690   64.339
LGA    G    57_A      G    57_A     1.115     0    0.059   0.059     1.119   83.690   83.690
LGA    R    58_A      R    58_A     1.343     0    0.078   1.502     9.836   81.429   53.290
LGA    E    59_A      E    59_A     1.496     0    0.091   0.770     2.956   81.429   69.683
LGA    L    60_A      L    60_A     1.389     0    0.016   1.408     4.680   81.429   65.655
LGA    K    61_A      K    61_A     1.302     0    0.039   0.684     3.214   81.429   77.937
LGA    A    62_A      A    62_A     1.119     0    0.056   0.069     1.199   85.952   85.048
LGA    H    63_A      H    63_A     0.859     0    0.023   0.157     1.154   90.476   86.857
LGA    I    64_A      I    64_A     1.010     0    0.036   1.139     2.835   88.214   79.881
LGA    K    65_A      K    65_A     1.201     0    0.023   0.181     2.771   81.429   74.074
LGA    D    66_A      D    66_A     1.149     0    0.038   0.496     2.995   81.429   78.452
LGA    A    67_A      A    67_A     0.979     0    0.115   0.124     1.803   83.810   85.143
LGA    M    68_A      M    68_A     1.040     0    0.044   1.314     4.635   79.405   75.536
LGA    Q    69_A      Q    69_A     2.609     0    0.020   0.948     3.826   57.262   55.661
LGA    T    70_A      T    70_A     2.181     0    0.108   0.166     2.666   64.762   67.211
LGA    S    71_A      S    71_A     1.927     0    0.116   0.483     2.165   72.857   72.937
LGA    C    72_A      C    72_A     1.333     0    0.057   0.379     1.630   75.000   77.143
LGA    S    73_A      S    73_A     2.126     0    0.024   0.650     4.850   70.833   61.984
LGA    K    74_A      K    74_A     1.008     0    0.039   0.638     4.343   85.952   71.481
LGA    C    75_A      C    75_A     0.981     0    0.043   0.195     1.383   83.690   84.444
LGA    T    76_A      T    76_A     1.225     0    0.024   0.065     1.294   81.429   81.429
LGA    E    77_A      E    77_A     1.480     0    0.061   0.724     2.734   77.143   74.921
LGA    K    78_A      K    78_A     1.454     4    0.037   0.044     1.510   81.429   44.286
LGA    Q    79_A      Q    79_A     0.836     0    0.106   1.024     2.510   90.476   84.815
LGA    K    80_A      K    80_A     1.435     0    0.035   0.664     4.416   81.429   65.979
LGA    K    81_A      K    81_A     1.522     4    0.028   0.030     1.604   77.143   42.381
LGA    G    82_A      G    82_A     1.086     0    0.010   0.010     1.211   85.952   85.952
LGA    A    83_A      A    83_A     0.863     0    0.072   0.081     1.028   92.857   90.571
LGA    R    84_A      R    84_A     0.780     0    0.122   0.981     4.862   90.476   71.385
LGA    K    85_A      K    85_A     0.446     0    0.023   0.598     2.023   97.619   86.825
LGA    V    86_A      V    86_A     0.902     0    0.013   0.092     1.238   85.952   84.014
LGA    V    87_A      V    87_A     1.315     0    0.044   0.045     1.692   81.429   78.980
LGA    R    88_A      R    88_A     1.041     0    0.017   1.408     5.685   85.952   69.654
LGA    H    89_A      H    89_A     0.610     0    0.027   0.129     0.874   90.476   90.476
LGA    I    90_A      I    90_A     1.180     0    0.030   0.646     2.321   81.429   79.345
LGA    R    91_A      R    91_A     1.243     0    0.047   1.505     6.911   81.429   61.732
LGA    A    92_A      A    92_A     0.994     0    0.023   0.021     1.210   85.952   86.857
LGA    K    93_A      K    93_A     0.894     0    0.017   0.374     1.522   85.952   87.566
LGA    E    94_A      E    94_A     1.260     0    0.039   0.117     1.620   81.429   80.476
LGA    Q    95_A      Q    95_A     1.466     4    0.066   0.076     1.810   77.143   42.381
LGA    E    96_A      E    96_A     1.703     0    0.050   1.429     7.024   77.143   52.169
LGA    Y    97_A      Y    97_A     1.132     0    0.078   0.292     2.273   81.429   77.302
LGA    W    98_A      W    98_A     1.196     0    0.024   0.148     1.809   81.429   78.980
LGA    K    99_A      K    99_A     1.051     0    0.072   0.641     3.664   85.952   77.513
LGA    Q   100_A      Q   100_A     0.754     0    0.046   0.515     1.337   90.476   89.471
LGA    I   101_A      I   101_A     0.570     0    0.037   0.151     1.086   90.476   90.536
LGA    L   102_A      L   102_A     1.050     0    0.030   0.942     4.549   88.214   73.452
LGA    A   103_A      A   103_A     0.987     0    0.012   0.023     1.142   90.476   88.667
LGA    K   104_A      K   104_A     0.759     0    0.057   0.720     4.177   90.476   81.587
LGA    Y   105_A      Y   105_A     0.857     0    0.025   0.079     1.930   88.214   80.833
LGA    D   106_A      D   106_A     1.308     0    0.026   0.103     2.149   81.548   76.190
LGA    P   107_A      P   107_A     1.762     0    0.166   0.183     2.367   70.952   75.510
LGA    E   108_A      E   108_A     2.957     0    0.161   0.544     5.096   59.048   47.037
LGA    D   109_A      D   109_A     2.251     0    0.324   0.684     4.162   52.262   63.690
LGA    Q   110_A      Q   110_A     3.694     0    0.204   1.029     8.046   43.810   30.688
LGA    Y   111_A      Y   111_A     2.921     0    0.279   0.311     5.118   57.143   47.341
LGA    K   112_A      K   112_A     3.236     0    0.045   0.683     5.266   48.452   43.069
LGA    E   113_A      E   113_A     4.606     0    0.064   0.757     8.797   33.095   19.788
LGA    N   114_A      N   114_A     4.474     0    0.104   0.114     5.185   37.262   34.405
LGA    Y   115_A      Y   115_A     3.752     0    0.101   1.309     9.521   41.786   33.690
LGA    E   116_A      E   116_A     4.628     0    0.017   1.060     6.298   26.786   29.101
LGA    T   117_A      T   117_A     6.746     0    0.040   0.131     8.067   12.381   13.333
LGA    F   118_A      F   118_A     7.073     0    0.012   0.220     9.138   10.119    7.835
LGA    L   119_A      L   119_A     6.308     0    0.113   1.400     7.771   14.405   13.274
LGA    A   120_A      A   120_A     8.216     0    0.133   0.141     9.784    4.167    4.286
LGA    A   121_A      A   121_A     9.808     0    0.033   0.030    10.995    0.476    0.476

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       93     372    372  100.00     756    756  100.00                93
SUMMARY(RMSD_GDC):     2.265          2.310                  2.882           78.264   70.907

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   93    4.0     88    1.59    83.602    90.494     5.202

LGA_LOCAL      RMSD:   1.592  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.369  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.265  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.812831 * X  +  -0.325871 * Y  +  -0.482818 * Z  +  10.440729
  Y_new =  -0.054459 * X  +   0.782730 * Y  +  -0.619975 * Z  +  -2.827134
  Z_new =   0.579948 * X  +   0.530228 * Y  +   0.618480 * Z  +   7.389444 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.066899 -0.618665  0.708722   [DEG:   -3.8330  -35.4469   40.6068 ]
ZXZ: -0.661662  0.903989  0.830154   [DEG:  -37.9104   51.7948   47.5643 ]
 
# END of job
