
#######################################################
#                                                     #
#                        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   82 (  674),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  632),  selected   79 , 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:    72       3_A - 74_A        4.89     6.28
  LONGEST_CONTINUOUS_SEGMENT:    72       4_A - 75_A        4.86     6.25
  LCS_AVERAGE:     90.15

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      28_A - 67_A        1.94     6.85
  LONGEST_CONTINUOUS_SEGMENT:    40      29_A - 68_A        1.86     6.85
  LONGEST_CONTINUOUS_SEGMENT:    40      30_A - 69_A        1.94     6.93
  LCS_AVERAGE:     43.73

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      31_A - 61_A        0.98     7.24
  LONGEST_CONTINUOUS_SEGMENT:    31      32_A - 62_A        0.92     7.20
  LONGEST_CONTINUOUS_SEGMENT:    31      33_A - 63_A        0.94     7.14
  LCS_AVERAGE:     27.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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     L     3_A     L     3_A      3   33   72      3    4    4    4    4    4    8   11   34   35   37   38   40   47   52   61   68   70   71   72 
LCS_GDT     L     4_A     L     4_A     14   36   72      9   17   26   31   33   35   37   39   41   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     L     5_A     L     5_A     14   36   72      9   16   26   31   33   35   37   39   41   43   52   57   63   64   67   69   72   73   74   75 
LCS_GDT     C     6_A     C     6_A     14   36   72      9   16   26   31   33   35   37   39   41   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     P     7_A     P     7_A     14   36   72      9   16   26   31   33   35   37   39   41   43   44   46   63   64   67   69   72   73   74   75 
LCS_GDT     N     8_A     N     8_A     14   36   72      9   16   25   31   33   35   37   39   41   43   44   57   63   64   67   69   72   73   74   75 
LCS_GDT     C     9_A     C     9_A     14   36   72      9   16   26   31   33   35   37   39   41   44   53   57   63   64   67   69   72   73   74   75 
LCS_GDT     Q    10_A     Q    10_A     14   36   72      9   16   26   31   33   35   37   39   41   43   44   46   53   63   66   69   72   73   74   75 
LCS_GDT     V    11_A     V    11_A     14   36   72      9   16   26   31   33   35   37   39   41   43   49   57   59   64   67   69   72   73   74   75 
LCS_GDT     G    12_A     G    12_A     16   36   72      9   16   26   31   33   35   37   39   41   43   52   57   63   64   67   69   72   73   74   75 
LCS_GDT     M    13_A     M    13_A     21   36   72      5   17   26   31   33   35   40   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     R    14_A     R    14_A     21   36   72      8   17   26   31   33   35   37   39   41   49   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    15_A     E    15_A     21   36   72      9   17   26   31   33   35   37   39   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     V    16_A     V    16_A     21   36   72      8   17   26   31   33   35   37   39   41   43   53   55   60   64   67   69   72   73   74   75 
LCS_GDT     E    17_A     E    17_A     21   36   72      5   17   26   31   33   35   37   39   41   43   53   55   59   63   67   69   72   73   74   75 
LCS_GDT     R    18_A     R    18_A     21   36   72      6    9   19   31   33   35   37   39   41   43   44   45   53   62   66   67   72   73   74   75 
LCS_GDT     R    19_A     R    19_A     21   36   72      4    9   19   30   33   35   37   39   41   42   44   44   46   48   51   62   69   73   74   75 
LCS_GDT     G    20_A     G    20_A     21   36   72      6   15   26   31   33   35   37   39   41   43   44   45   56   62   66   67   69   73   74   75 
LCS_GDT     V    21_A     V    21_A     21   36   72      8   17   26   31   33   35   37   39   41   49   53   55   59   63   67   69   72   73   74   75 
LCS_GDT     L    22_A     L    22_A     21   36   72      9   17   26   31   33   40   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     I    23_A     I    23_A     21   36   72      9   17   26   31   33   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     D    24_A     D    24_A     21   36   72      9   17   26   31   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     V    25_A     V    25_A     21   36   72      8   17   26   31   33   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     C    26_A     C    26_A     21   36   72      9   17   26   31   33   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     P    27_A     P    27_A     21   36   72      9   17   26   31   33   35   37   39   49   51   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     Q    28_A     Q    28_A     21   40   72      9   17   26   31   33   37   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     C    29_A     C    29_A     21   40   72      4   14   26   31   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     G    30_A     G    30_A     21   40   72      5   15   26   31   33   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     G    31_A     G    31_A     31   40   72      9   17   26   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     V    32_A     V    32_A     31   40   72      9   17   26   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     W    33_A     W    33_A     31   40   72     14   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     L    34_A     L    34_A     31   40   72     13   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     D    35_A     D    35_A     31   40   72      6   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     K    36_A     K    36_A     31   40   72     14   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     G    37_A     G    37_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    38_A     E    38_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     L    39_A     L    39_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    40_A     E    40_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     K    41_A     K    41_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     L    42_A     L    42_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     L    43_A     L    43_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     A    44_A     A    44_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    45_A     E    45_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     A    46_A     A    46_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    47_A     E    47_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    48_A     E    48_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     V    49_A     V    49_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    50_A     E    50_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     R    51_A     R    51_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     R    52_A     R    52_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     Y    53_A     Y    53_A     31   40   72     11   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    54_A     E    54_A     31   40   72     17   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    55_A     E    55_A     31   40   72     13   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    56_A     E    56_A     31   40   72     11   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     L    57_A     L    57_A     31   40   72     11   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    58_A     E    58_A     31   40   72     13   26   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     G    59_A     G    59_A     31   40   72     12   22   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     F    60_A     F    60_A     31   40   72     11   22   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     Y    61_A     Y    61_A     31   40   72     12   23   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     R    62_A     R    62_A     31   40   72     11   19   30   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     K    63_A     K    63_A     31   40   72      8   17   27   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     E    64_A     E    64_A     24   40   72      6   15   27   34   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     G    65_A     G    65_A     21   40   72      5   11   22   32   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     K    66_A     K    66_A     17   40   72      5   11   22   30   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     P    67_A     P    67_A      7   40   72      5    8   16   30   36   41   44   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     Y    68_A     Y    68_A      7   40   72      4    7    8   26   35   37   41   46   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     K    69_A     K    69_A      7   40   72      4    7   12   26   35   36   39   45   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     R    70_A     R    70_A      5   39   72      3    3    5    8   11   14   24   37   41   43   46   53   63   64   67   69   72   73   74   75 
LCS_GDT     K    71_A     K    71_A      4   13   72      3    4    8    9   13   17   22   35   41   43   52   57   63   64   67   69   72   73   74   75 
LCS_GDT     K    72_A     K    72_A      4   10   72      3    3    4   10   10   12   16   22   30   40   44   53   63   64   67   69   72   73   74   75 
LCS_GDT     G    73_A     G    73_A      4   10   72      3    3    4   10   11   24   31   44   49   52   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     F    74_A     F    74_A      5   10   72      3    4    7    9   11   12   12   29   41   47   55   57   63   64   67   69   72   73   74   75 
LCS_GDT     M    75_A     M    75_A      7   10   72      4    6    8   10   11   12   12   18   25   37   41   46   48   52   62   65   72   73   74   75 
LCS_GDT     K    76_A     K    76_A      7   10   69      4    6    9   20   27   33   37   39   41   43   44   46   47   51   54   56   63   68   74   75 
LCS_GDT     L    77_A     L    77_A      7   10   68      4    5    8   12   17   29   34   39   41   43   44   46   49   56   63   69   72   73   74   75 
LCS_GDT     F    78_A     F    78_A      7   10   67      4    5    8   10   14   22   36   39   41   43   44   46   49   56   59   65   72   73   74   75 
LCS_GDT     D    79_A     D    79_A      7   10   60      3    6   21   31   33   35   37   37   39   41   43   44   45   46   47   49   50   52   53   55 
LCS_GDT     L    80_A     L    80_A      7   10   53      3    6   17   28   32   32   37   37   38   41   43   44   44   46   47   49   50   52   53   54 
LCS_GDT     F    81_A     F    81_A      7   10   53      3   15   26   31   33   34   37   37   38   40   43   43   45   46   47   49   51   52   58   59 
LCS_AVERAGE  LCS_A:  53.63  (  27.01   43.73   90.15 )

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     17     26     30     34     36     41     44     46     49     52     55     57     63     64     67     69     72     73     74     75 
GDT PERCENT_AT  21.52  32.91  37.97  43.04  45.57  51.90  55.70  58.23  62.03  65.82  69.62  72.15  79.75  81.01  84.81  87.34  91.14  92.41  93.67  94.94
GDT RMS_LOCAL    0.23   0.60   0.84   1.15   1.36   1.90   2.08   2.34   2.66   3.00   3.26   3.46   4.01   4.02   4.28   4.49   4.86   4.95   5.08   5.24
GDT RMS_ALL_AT   7.91   7.50   7.21   7.06   6.99   6.81   6.80   6.78   6.70   6.51   6.47   6.44   6.32   6.35   6.30   6.27   6.20   6.20   6.19   6.17

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  F    78_A      F    78_A
#   possible swapping detected:  F    81_A      F    81_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A    14.220     0    0.039   1.312    16.982    0.000    0.000
LGA    L     4_A      L     4_A     7.921     0    0.629   0.539    10.423    6.071   11.964
LGA    L     5_A      L     5_A     8.433     4    0.031   0.031     8.433    5.952    2.976
LGA    C     6_A      C     6_A     6.495     0    0.005   0.800     8.340   10.595   18.968
LGA    P     7_A      P     7_A     9.045     0    0.023   0.031    10.165    2.500    4.082
LGA    N     8_A      N     8_A     8.374     0    0.339   0.300     9.380    3.929    4.881
LGA    C     9_A      C     9_A     7.708     0    0.128   0.152     9.819    4.405   11.032
LGA    Q    10_A      Q    10_A    10.188     0    0.033   1.048    12.933    0.357    0.159
LGA    V    11_A      V    11_A     9.080     0    0.042   0.082     9.118    4.048    4.830
LGA    G    12_A      G    12_A     8.917     0    0.037   0.037     9.179    5.357    5.357
LGA    M    13_A      M    13_A     5.631     0    0.038   0.108     7.283   15.476   30.357
LGA    R    14_A      R    14_A     7.019     0    0.038   0.653    11.384   17.619    8.918
LGA    E    15_A      E    15_A     6.135     0    0.010   0.697     8.110   12.143   23.862
LGA    V    16_A      V    16_A     7.403     0    0.086   1.096    10.368   13.571   11.837
LGA    E    17_A      E    17_A     7.745     0    0.020   0.152     9.319    5.119    5.450
LGA    R    18_A      R    18_A     9.071     3    0.093   0.552     9.377    2.619    1.861
LGA    R    19_A      R    19_A    11.030     5    0.021   0.393    13.420    0.000    0.000
LGA    G    20_A      G    20_A     8.517     0    0.017   0.017     9.375    6.905    6.905
LGA    V    21_A      V    21_A     6.359     0    0.034   0.053     7.581   16.429   15.374
LGA    L    22_A      L    22_A     4.058     0    0.017   0.899     4.548   43.929   47.024
LGA    I    23_A      I    23_A     3.345     0    0.056   0.700     5.258   48.452   41.429
LGA    D    24_A      D    24_A     2.252     0    0.032   0.481     3.016   70.952   64.107
LGA    V    25_A      V    25_A     3.109     0    0.082   1.162     5.780   46.786   39.728
LGA    C    26_A      C    26_A     3.190     0    0.071   0.711     4.013   46.905   48.016
LGA    P    27_A      P    27_A     5.894     0    0.041   0.065     7.135   22.857   19.456
LGA    Q    28_A      Q    28_A     4.608     0    0.265   1.153     6.412   35.833   28.995
LGA    C    29_A      C    29_A     1.795     0    0.062   0.764     3.363   61.190   65.397
LGA    G    30_A      G    30_A     3.471     0    0.053   0.053     3.818   50.119   50.119
LGA    G    31_A      G    31_A     2.508     0    0.071   0.071     2.508   62.976   62.976
LGA    V    32_A      V    32_A     2.428     0    0.072   1.190     6.177   55.595   50.612
LGA    W    33_A      W    33_A     2.851     0    0.126   0.228     9.375   64.881   29.864
LGA    L    34_A      L    34_A     2.243     0    0.106   0.773     3.876   60.952   56.429
LGA    D    35_A      D    35_A     2.053     0    0.098   1.264     4.761   70.833   63.690
LGA    K    36_A      K    36_A     1.829     0    0.020   0.911     4.507   72.857   67.354
LGA    G    37_A      G    37_A     2.134     0    0.102   0.102     2.134   66.786   66.786
LGA    E    38_A      E    38_A     2.094     0    0.014   0.196     3.078   68.810   62.381
LGA    L    39_A      L    39_A     1.817     0    0.017   1.415     4.932   72.857   62.857
LGA    E    40_A      E    40_A     1.534     0    0.032   0.073     1.691   77.143   76.667
LGA    K    41_A      K    41_A     1.410     0    0.049   0.174     2.352   81.429   75.767
LGA    L    42_A      L    42_A     1.600     0    0.017   1.378     4.324   77.143   70.595
LGA    L    43_A      L    43_A     1.039     0    0.027   0.066     1.245   85.952   84.821
LGA    A    44_A      A    44_A     0.824     0    0.032   0.034     0.932   90.476   90.476
LGA    E    45_A      E    45_A     1.184     0    0.025   1.219     3.167   81.429   74.286
LGA    A    46_A      A    46_A     1.296     0    0.051   0.053     1.468   81.429   81.429
LGA    E    47_A      E    47_A     1.149     0    0.029   0.571     3.152   81.429   72.381
LGA    E    48_A      E    48_A     1.243     0    0.041   0.847     2.859   77.143   76.825
LGA    V    49_A      V    49_A     1.960     0    0.019   0.054     2.436   68.810   67.075
LGA    E    50_A      E    50_A     2.098     0    0.008   0.599     2.367   66.786   73.069
LGA    R    51_A      R    51_A     2.002     0    0.041   1.432     9.966   66.786   42.727
LGA    R    52_A      R    52_A     2.082     0    0.019   1.233     6.751   64.762   53.030
LGA    Y    53_A      Y    53_A     2.271     0    0.048   1.227    10.165   64.762   37.024
LGA    E    54_A      E    54_A     2.424     0    0.033   0.842     5.702   64.762   51.323
LGA    E    55_A      E    55_A     1.806     0    0.011   0.096     2.006   70.833   71.958
LGA    E    56_A      E    56_A     1.521     0    0.016   0.769     2.997   75.000   70.265
LGA    L    57_A      L    57_A     1.999     0    0.058   1.377     5.384   72.857   57.083
LGA    E    58_A      E    58_A     1.960     0    0.025   0.908     5.086   72.857   55.556
LGA    G    59_A      G    59_A     1.062     0    0.064   0.064     1.429   83.690   83.690
LGA    F    60_A      F    60_A     1.081     0    0.015   0.073     1.485   81.429   81.429
LGA    Y    61_A      Y    61_A     1.509     0    0.072   1.399    10.410   79.286   42.738
LGA    R    62_A      R    62_A     1.392     0    0.020   1.425     7.026   81.429   65.022
LGA    K    63_A      K    63_A     0.553     2    0.054   0.664     2.297   92.857   69.630
LGA    E    64_A      E    64_A     0.499     0    0.123   0.230     1.887   95.238   85.714
LGA    G    65_A      G    65_A     1.831     0    0.146   0.146     2.348   70.952   70.952
LGA    K    66_A      K    66_A     2.641     3    0.150   0.182     3.724   53.810   37.460
LGA    P    67_A      P    67_A     3.584     0    0.346   0.521     3.814   46.667   47.143
LGA    Y    68_A      Y    68_A     5.854     0    0.045   1.208    12.424   19.524   10.079
LGA    K    69_A      K    69_A     6.752     2    0.133   0.586     6.958   14.286   13.545
LGA    R    70_A      R    70_A     8.024     0    0.604   0.963    17.442    4.048    1.558
LGA    K    71_A      K    71_A     8.953     0    0.036   0.762    10.730    2.024    2.116
LGA    K    72_A      K    72_A    10.828     0    0.045   0.650    20.044    0.476    0.212
LGA    G    73_A      G    73_A     5.754     0    0.454   0.454     7.051   19.762   19.762
LGA    F    74_A      F    74_A     7.666     0    0.584   1.279     8.886    8.571   18.745
LGA    M    75_A      M    75_A    12.569     0    0.063   0.213    16.867    0.000    0.000
LGA    K    76_A      K    76_A    14.201     0    0.116   0.184    17.171    0.000    0.000
LGA    L    77_A      L    77_A    10.483     0    0.090   1.385    11.836    0.000    1.786
LGA    F    78_A      F    78_A    12.022     0    0.138   0.170    15.221    0.000    1.385
LGA    D    79_A      D    79_A    18.271     0    0.073   0.120    20.784    0.000    0.000
LGA    L    80_A      L    80_A    17.532     0    0.029   1.000    17.970    0.000    0.000
LGA    F    81_A      F    81_A    16.727     0    0.035   0.106    20.307    0.000    0.260

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     632    632  100.00                79
SUMMARY(RMSD_GDC):     6.129          6.199                  6.743           42.184   38.375

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     46    2.34    55.380    53.359     1.885

LGA_LOCAL      RMSD:   2.340  Number of atoms:   46  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.778  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   6.129  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.940802 * X  +   0.130384 * Y  +   0.312877 * Z  + -19.393881
  Y_new =  -0.319248 * X  +   0.030679 * Y  +   0.947174 * Z  +  -9.322115
  Z_new =   0.113897 * X  +  -0.990989 * Y  +   0.070488 * Z  +  37.223156 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.327143 -0.114145 -1.499787   [DEG:  -18.7439   -6.5400  -85.9315 ]
ZXZ:  2.822551  1.500250  3.027162   [DEG:  161.7202   85.9580  173.4436 ]
 
# END of job
