
#######################################################
#                                                     #
#                        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  103 (  861),  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       2.27     2.27
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91      29_A - 119_A       1.96     2.30
  LCS_AVERAGE:     96.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      29_A - 106_A       1.00     2.54
  LONGEST_CONTINUOUS_SEGMENT:    78      30_A - 107_A       1.00     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      6   28   66   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     78   91   93      9   44   72   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     78   91   93      9   42   72   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     78   91   93     10   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     78   91   93     13   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     78   91   93     13   51   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     78   91   93     13   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     78   91   93     15   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     78   91   93     11   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     78   91   93     20   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     78   91   93     20   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     78   91   93     17   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     78   91   93     11   49   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     78   91   93     20   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     78   91   93      9   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     78   91   93      9   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     78   91   93      9   50   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     78   91   93      9   43   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     78   91   93      9   43   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     78   91   93      9   43   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     78   91   93     15   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     78   91   93     15   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     78   91   93     15   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     78   91   93      9   48   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     78   91   93     18   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     78   91   93     17   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     78   91   93      8   17   49   77   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     78   91   93      9   29   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A     78   91   93      8   49   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A     78   91   93     11   50   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A     78   91   93      9   40   74   78   81   82   87   88   89   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     78   91   93     11   50   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     78   91   93     11   50   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     78   91   93     11   49   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     78   91   93      8   50   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     78   91   93     19   50   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     78   91   93     19   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     78   91   93     11   48   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     78   91   93     11   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     78   91   93     18   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     78   91   93     11   43   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     78   91   93     11   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     78   91   93     17   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     78   91   93     14   48   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     78   91   93     14   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     78   91   93     21   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     78   91   93     15   52   74   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     78   91   93      8   41   69   78   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     39   91   93      7   25   56   77   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     38   91   93      9   22   56   77   81   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     28   91   93      3    6   32   55   69   82   85   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     20   91   93      8   19   36   64   78   82   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     11   91   93      8   11   11   14   33   79   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     11   91   93      8   11   11   12   61   75   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     11   91   93      8   11   21   41   59   79   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     11   91   93      8   12   26   43   68   80   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     11   91   93      8   11   21   32   54   74   87   88   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     11   91   93      8   11   12   25   32   52   71   86   90   92   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   47   63   77   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     11   91   93      7   11   15   26   37   52   68   86   90   92   92   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     11   24   93      7   11   12   25   32   38   49   63   84   92   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   35   43   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     21     52     74     78     81     82     87     88     90     92     92     93     93     93     93     93     93     93     93     93 
GDT PERCENT_AT  22.58  55.91  79.57  83.87  87.10  88.17  93.55  94.62  96.77  98.92  98.92 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.39   0.71   0.91   1.00   1.11   1.16   1.56   1.60   1.96   2.10   2.10   2.27   2.27   2.27   2.27   2.27   2.27   2.27   2.27   2.27
GDT RMS_ALL_AT   2.55   2.54   2.54   2.53   2.53   2.52   2.38   2.38   2.29   2.28   2.28   2.27   2.27   2.27   2.27   2.27   2.27   2.27   2.27   2.27

# Checking swapping
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  E    56_A      E    56_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    97_A      Y    97_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  Y   111_A      Y   111_A
#   possible swapping detected:  E   116_A      E   116_A
#   possible swapping detected:  F   118_A      F   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     2.059     0    0.598   0.830     7.869   75.238   47.500
LGA    I    30_A      I    30_A     0.839     0    0.023   0.782     2.049   90.595   87.321
LGA    D    31_A      D    31_A     1.320     0    0.053   0.217     3.218   83.690   70.476
LGA    E    32_A      E    32_A     1.361     0    0.058   0.785     2.638   85.952   76.931
LGA    I    33_A      I    33_A     0.762     0    0.013   0.180     1.595   92.857   87.202
LGA    I    34_A      I    34_A     0.541     0    0.009   0.157     1.559   95.238   89.524
LGA    E    35_A      E    35_A     0.639     0    0.023   0.246     1.809   92.857   84.656
LGA    N    36_A      N    36_A     0.553     0    0.028   0.444     1.520   95.238   91.845
LGA    R    37_A      R    37_A     0.434     0    0.086   1.047     5.145  100.000   76.623
LGA    K    38_A      K    38_A     0.597     0    0.114   1.042     2.215   90.595   83.704
LGA    L    39_A      L    39_A     0.579     0    0.015   0.078     0.795   90.476   90.476
LGA    L    40_A      L    40_A     0.621     0    0.029   0.078     1.047   92.857   90.536
LGA    V    41_A      V    41_A     0.490     0    0.022   0.109     0.634  100.000   98.639
LGA    P    42_A      P    42_A     0.375     0    0.056   0.063     0.607  100.000   97.279
LGA    Y    43_A      Y    43_A     0.424     0    0.041   1.436     8.072  100.000   61.508
LGA    I    44_A      I    44_A     0.381     0    0.031   0.059     0.543   97.619   95.238
LGA    K    45_A      K    45_A     0.400     0    0.072   0.096     1.315  100.000   93.757
LGA    C    46_A      C    46_A     0.338     0    0.027   0.175     0.975  100.000   98.413
LGA    T    47_A      T    47_A     0.445     0    0.128   1.244     2.388   97.619   87.211
LGA    L    48_A      L    48_A     0.205     0    0.062   0.066     0.475  100.000  100.000
LGA    D    49_A      D    49_A     0.467     0    0.074   0.184     1.369   95.238   89.464
LGA    Q    50_A      Q    50_A     1.100     0    0.157   0.858     5.928   88.214   65.132
LGA    G    51_A      G    51_A     0.617     0    0.046   0.046     0.843   90.476   90.476
LGA    R    52_A      R    52_A     0.764     0    0.023   1.159     3.881   92.857   78.571
LGA    C    53_A      C    53_A     0.647     0    0.037   0.083     0.701   90.476   90.476
LGA    T    54_A      T    54_A     0.720     0    0.078   0.113     0.993   90.476   90.476
LGA    P    55_A      P    55_A     0.921     0    0.025   0.043     1.058   88.214   89.184
LGA    E    56_A      E    56_A     1.095     0    0.015   1.294     5.151   81.429   67.566
LGA    G    57_A      G    57_A     1.135     0    0.027   0.027     1.180   81.429   81.429
LGA    R    58_A      R    58_A     1.355     0    0.071   1.688     8.617   81.429   55.541
LGA    E    59_A      E    59_A     1.513     0    0.047   1.142     6.124   79.286   59.206
LGA    L    60_A      L    60_A     1.408     0    0.021   1.385     4.617   81.429   65.655
LGA    K    61_A      K    61_A     1.310     0    0.019   0.885     3.970   81.429   74.497
LGA    A    62_A      A    62_A     1.113     0    0.007   0.006     1.148   83.690   83.238
LGA    H    63_A      H    63_A     0.800     0    0.020   0.307     1.517   90.476   85.095
LGA    I    64_A      I    64_A     0.971     0    0.031   1.174     2.893   90.476   81.012
LGA    K    65_A      K    65_A     1.211     0    0.023   0.907     6.807   81.429   57.143
LGA    D    66_A      D    66_A     1.182     0    0.021   0.469     2.510   81.429   79.524
LGA    A    67_A      A    67_A     1.059     0    0.082   0.086     1.785   81.548   83.333
LGA    M    68_A      M    68_A     1.123     0    0.039   0.953     3.605   79.405   80.238
LGA    Q    69_A      Q    69_A     2.576     0    0.030   0.957     3.787   57.262   55.661
LGA    T    70_A      T    70_A     2.188     0    0.090   0.170     2.583   64.762   67.211
LGA    S    71_A      S    71_A     2.004     0    0.062   0.489     2.437   68.810   68.810
LGA    C    72_A      C    72_A     1.425     0    0.025   0.056     1.594   75.000   77.143
LGA    S    73_A      S    73_A     2.067     0    0.059   0.670     4.765   70.833   63.254
LGA    K    74_A      K    74_A     0.956     0    0.030   0.641     4.437   88.214   72.804
LGA    C    75_A      C    75_A     0.900     0    0.019   0.251     1.276   85.952   85.952
LGA    T    76_A      T    76_A     1.257     0    0.073   0.112     1.397   83.690   82.721
LGA    E    77_A      E    77_A     1.509     0    0.060   1.105     3.306   75.000   75.132
LGA    K    78_A      K    78_A     1.485     4    0.076   0.085     1.541   81.429   44.286
LGA    Q    79_A      Q    79_A     0.898     0    0.081   1.038     3.616   88.214   78.571
LGA    K    80_A      K    80_A     1.410     0    0.033   0.641     4.547   81.429   65.344
LGA    K    81_A      K    81_A     1.509     4    0.027   0.028     1.623   77.143   42.381
LGA    G    82_A      G    82_A     1.118     0    0.013   0.013     1.252   85.952   85.952
LGA    A    83_A      A    83_A     0.865     0    0.058   0.064     1.024   92.857   90.571
LGA    R    84_A      R    84_A     0.780     0    0.094   0.982     3.085   92.857   73.810
LGA    K    85_A      K    85_A     0.474     0    0.024   0.606     2.007   97.619   84.921
LGA    V    86_A      V    86_A     0.939     0    0.040   0.099     1.296   85.952   84.014
LGA    V    87_A      V    87_A     1.266     0    0.056   0.052     1.610   81.429   78.980
LGA    R    88_A      R    88_A     1.036     0    0.011   1.646     5.898   85.952   69.177
LGA    H    89_A      H    89_A     0.618     0    0.013   0.157     0.832   90.476   92.381
LGA    I    90_A      I    90_A     1.287     0    0.025   0.091     1.772   81.429   78.214
LGA    R    91_A      R    91_A     1.367     0    0.014   1.417     6.569   81.429   60.736
LGA    A    92_A      A    92_A     0.925     0    0.024   0.024     1.056   88.214   88.667
LGA    K    93_A      K    93_A     0.846     0    0.050   0.350     1.376   85.952   88.519
LGA    E    94_A      E    94_A     1.266     0    0.019   0.776     2.625   81.429   78.730
LGA    Q    95_A      Q    95_A     1.472     4    0.068   0.080     1.762   81.429   44.286
LGA    E    96_A      E    96_A     1.695     0    0.082   1.152     6.121   79.286   57.037
LGA    Y    97_A      Y    97_A     1.182     0    0.076   0.284     2.417   81.429   75.873
LGA    W    98_A      W    98_A     1.161     0    0.023   1.629     5.315   83.690   65.442
LGA    K    99_A      K    99_A     0.994     0    0.054   0.623     3.538   88.214   79.524
LGA    Q   100_A      Q   100_A     0.761     0    0.013   0.509     1.383   90.476   87.460
LGA    I   101_A      I   101_A     0.528     0    0.020   0.085     0.903   90.476   92.857
LGA    L   102_A      L   102_A     1.147     0    0.042   0.203     2.097   88.214   78.512
LGA    A   103_A      A   103_A     0.996     0    0.021   0.020     1.214   90.476   88.667
LGA    K   104_A      K   104_A     0.741     0    0.030   0.938     6.773   90.476   67.407
LGA    Y   105_A      Y   105_A     0.859     0    0.036   0.135     1.497   88.214   83.690
LGA    D   106_A      D   106_A     1.256     0    0.064   0.147     2.177   81.548   75.179
LGA    P   107_A      P   107_A     1.795     0    0.086   0.102     2.556   69.048   74.422
LGA    E   108_A      E   108_A     2.909     0    0.195   0.591     5.043   59.048   47.778
LGA    D   109_A      D   109_A     2.361     0    0.297   0.680     3.969   53.810   63.452
LGA    Q   110_A      Q   110_A     3.719     0    0.191   1.042     7.959   43.810   31.481
LGA    Y   111_A      Y   111_A     2.922     0    0.272   0.366     6.795   57.143   40.952
LGA    K   112_A      K   112_A     3.361     0    0.022   0.871     4.556   48.452   45.185
LGA    E   113_A      E   113_A     4.619     0    0.011   1.431    11.929   33.095   18.519
LGA    N   114_A      N   114_A     4.479     0    0.048   0.046     5.216   35.952   33.036
LGA    Y   115_A      Y   115_A     3.794     0    0.083   1.132     9.882   41.786   32.738
LGA    E   116_A      E   116_A     4.612     0    0.013   1.206     6.013   29.524   29.471
LGA    T   117_A      T   117_A     6.759     0    0.012   0.979     8.069   12.381   12.449
LGA    F   118_A      F   118_A     7.139     0    0.032   0.179     9.088   10.119    8.182
LGA    L   119_A      L   119_A     6.307     0    0.120   1.390     7.592   14.405   14.286
LGA    A   120_A      A   120_A     8.214     0    0.231   0.243     9.585    4.524    4.571
LGA    A   121_A      A   121_A     9.782     0    0.021   0.022    11.001    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):     2.273          2.309                  2.932           78.155   70.355

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   93    4.0     88    1.60    83.602    90.465     5.168

LGA_LOCAL      RMSD:   1.603  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.377  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.273  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.813229 * X  +  -0.325590 * Y  +  -0.482338 * Z  +  10.438515
  Y_new =  -0.055239 * X  +   0.781909 * Y  +  -0.620940 * Z  +  -2.822387
  Z_new =   0.579317 * X  +   0.531610 * Y  +   0.617886 * Z  +   7.393741 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.067821 -0.617890  0.710484   [DEG:   -3.8858  -35.4025   40.7077 ]
ZXZ: -0.660425  0.904746  0.828315   [DEG:  -37.8396   51.8381   47.4589 ]
 
# END of job
