
#######################################################
#                                                     #
#                        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  123 ( 1008),  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       2.70     2.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      70_A - 118_A       1.99     3.01
  LONGEST_CONTINUOUS_SEGMENT:    49      71_A - 119_A       1.91     3.07
  LONGEST_CONTINUOUS_SEGMENT:    49      72_A - 120_A       1.84     3.17
  LCS_AVERAGE:     47.45

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      83_A - 109_A       1.00     3.37
  LCS_AVERAGE:     21.25

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     19   39   93      8   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     19   39   93     10   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     19   39   93     10   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     19   39   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     19   39   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     19   39   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     19   39   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     19   39   93      9   32   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     19   39   93     10   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     19   39   93     10   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     19   39   93     10   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     19   39   93     10   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     19   39   93     10   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     19   39   93     10   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     19   39   93     10   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     19   39   93      8   24   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     19   39   93      8   23   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     19   39   93      4    6   49   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     19   39   93      4    6   21   41   57   76   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     19   39   93      4   14   36   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     19   39   93      4    7   25   51   69   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     11   39   93      3   12   36   56   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A     13   39   93      8   16   43   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     13   39   93      6   19   43   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     13   39   93      6   27   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     13   39   93      3   15   49   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     13   39   93      3   19   43   59   70   77   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     13   39   93      6   27   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     13   39   93      6   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     13   39   93      6   27   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     13   39   93     10   32   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     13   39   93     10   31   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     13   39   93      4   32   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     13   39   93      6   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     13   39   93      4   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     11   39   93      4    8   10   13   20   29   70   85   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A      9   39   93      3    8   10   13   17   19   37   65   85   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A      9   39   93      3    8   11   23   56   77   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A      9   39   93      4   13   40   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A      9   22   93      4    8   11   14   23   45   73   82   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A      9   22   93      4    8   11   14   21   35   54   77   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A      9   49   93      3    8   10   16   28   50   72   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A      9   49   93      3    4   10   10   61   69   73   85   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A     18   49   93      4   25   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A     19   49   93      4   10   35   56   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A     19   49   93      7   21   35   53   68   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     19   49   93      6   20   42   58   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     19   49   93      7   25   51   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     19   49   93      7   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     19   49   93      7   19   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     19   49   93      7   18   49   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     19   49   93     17   32   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     19   49   93     13   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     23   49   93      8   32   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     27   49   93      7   23   35   56   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     27   49   93      6   17   33   56   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     27   49   93      7   26   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     27   49   93      8   26   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     27   49   93      7   17   30   50   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     27   49   93      3   17   30   59   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     27   49   93      6   26   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     27   49   93      6   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     27   49   93      8   26   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     27   49   93      8   26   49   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     27   49   93      8   26   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     27   49   93     13   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     27   49   93     17   33   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     27   49   93      8   32   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     27   49   93      6   26   52   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     27   49   93      5   21   49   61   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     23   49   93      4   21   37   56   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     23   49   93      6   21   37   56   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     22   49   93      4   18   31   54   72   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     22   49   93      4   18   31   51   67   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     22   49   93      6   18   31   51   68   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     22   49   93      6   17   31   40   64   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     22   49   93      6   21   31   48   64   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     22   49   93      6   21   31   51   68   80   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     22   49   93      6   18   29   40   64   79   84   86   89   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     22   49   93      6   17   31   40   51   73   84   86   88   91   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     22   49   93      5   14   29   40   46   53   77   86   87   90   92   92   92   92   93   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A      0   40   93      0    0    3    3    3    9   14   32   46   53   65   78   86   90   93   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  56.23  (  21.25   47.45  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     17     33     52     61     72     80     84     86     89     91     92     92     92     92     93     93     93     93     93     93 
GDT PERCENT_AT  18.28  35.48  55.91  65.59  77.42  86.02  90.32  92.47  95.70  97.85  98.92  98.92  98.92  98.92 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.72   1.04   1.24   1.58   1.88   1.99   2.08   2.27   2.37   2.43   2.43   2.43   2.43   2.70   2.70   2.70   2.70   2.70   2.70
GDT RMS_ALL_AT   3.29   3.46   3.25   3.12   2.90   2.76   2.75   2.73   2.74   2.72   2.71   2.71   2.71   2.71   2.70   2.70   2.70   2.70   2.70   2.70

# Checking swapping
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  Y    43_A      Y    43_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    94_A      E    94_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  Y   111_A      Y   111_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  Y   115_A      Y   115_A
#   possible swapping detected:  E   116_A      E   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     1.317     0    0.299   1.081     4.398   77.619   70.833
LGA    I    30_A      I    30_A     1.495     0    0.046   0.931     3.654   81.429   80.238
LGA    D    31_A      D    31_A     1.441     0    0.028   1.194     5.326   81.429   65.833
LGA    E    32_A      E    32_A     0.744     0    0.032   0.639     2.117   85.952   79.735
LGA    I    33_A      I    33_A     0.996     0    0.018   0.625     1.592   85.952   84.881
LGA    I    34_A      I    34_A     1.605     0    0.099   1.238     2.813   75.000   68.988
LGA    E    35_A      E    35_A     1.504     0    0.073   0.558     2.792   72.857   70.370
LGA    N    36_A      N    36_A     1.690     0    0.017   0.796     3.037   72.857   67.024
LGA    R    37_A      R    37_A     1.826     0    0.092   1.082     3.659   75.000   74.892
LGA    K    38_A      K    38_A     1.372     0    0.141   1.258     7.998   79.286   57.354
LGA    L    39_A      L    39_A     0.892     0    0.044   0.096     1.531   88.214   83.750
LGA    L    40_A      L    40_A     1.188     0    0.032   1.382     3.645   81.429   75.595
LGA    V    41_A      V    41_A     0.832     0    0.086   1.176     2.754   90.476   81.905
LGA    P    42_A      P    42_A     0.352     0    0.030   0.233     0.720   95.238   94.558
LGA    Y    43_A      Y    43_A     0.840     0    0.041   0.254     1.513   83.810   86.786
LGA    I    44_A      I    44_A     1.415     0    0.097   0.161     1.821   79.286   76.071
LGA    K    45_A      K    45_A     1.360     0    0.050   0.188     4.588   81.429   64.656
LGA    C    46_A      C    46_A     1.714     0    0.057   0.804     2.412   70.952   70.238
LGA    T    47_A      T    47_A     2.987     0    0.108   1.003     4.519   55.595   48.707
LGA    L    48_A      L    48_A     1.941     0    0.218   1.425     4.928   68.810   61.786
LGA    D    49_A      D    49_A     3.160     0    0.031   0.247     4.594   50.119   42.917
LGA    Q    50_A      Q    50_A     2.899     0    0.164   1.389     6.765   60.952   46.349
LGA    G    51_A      G    51_A     2.272     0    0.578   0.578     4.246   55.952   55.952
LGA    R    52_A      R    52_A     2.746     0    0.090   0.539     6.974   69.048   40.736
LGA    C    53_A      C    53_A     1.631     0    0.068   0.118     2.116   70.833   71.508
LGA    T    54_A      T    54_A     2.301     0    0.017   0.166     2.533   68.810   65.986
LGA    P    55_A      P    55_A     3.397     0    0.041   0.047     4.577   51.786   45.578
LGA    E    56_A      E    56_A     1.898     0    0.060   1.020     4.575   70.833   63.439
LGA    G    57_A      G    57_A     1.240     0    0.034   0.034     1.489   81.429   81.429
LGA    R    58_A      R    58_A     1.937     0    0.109   0.849     3.359   72.857   71.039
LGA    E    59_A      E    59_A     2.394     0    0.052   0.865     5.805   64.762   50.265
LGA    L    60_A      L    60_A     2.238     0    0.089   1.052     3.555   66.786   64.107
LGA    K    61_A      K    61_A     1.248     0    0.060   0.768     2.604   81.429   78.836
LGA    A    62_A      A    62_A     1.306     0    0.097   0.096     1.527   79.286   79.714
LGA    H    63_A      H    63_A     2.523     0    0.109   0.915     4.538   59.048   47.905
LGA    I    64_A      I    64_A     4.930     0    0.039   0.125     7.936   31.786   21.845
LGA    K    65_A      K    65_A     6.019     0    0.133   0.837    12.629   22.738   12.698
LGA    D    66_A      D    66_A     3.535     0    0.064   0.134     4.803   50.238   43.869
LGA    A    67_A      A    67_A     2.514     0    0.070   0.065     3.360   55.476   54.381
LGA    M    68_A      M    68_A     5.382     0    0.154   0.782     6.798   25.476   22.440
LGA    Q    69_A      Q    69_A     5.818     0    0.253   1.159    10.034   23.810   13.651
LGA    T    70_A      T    70_A     4.799     0    0.256   0.990     7.028   34.286   27.211
LGA    S    71_A      S    71_A     4.470     0    0.630   0.664     8.191   46.905   33.730
LGA    C    72_A      C    72_A     0.588     0    0.204   0.220     1.856   83.810   84.524
LGA    S    73_A      S    73_A     1.933     0    0.044   0.561     2.850   69.048   68.968
LGA    K    74_A      K    74_A     2.870     0    0.230   1.173     6.456   52.262   45.556
LGA    C    75_A      C    75_A     1.788     0    0.107   0.349     1.896   75.000   75.714
LGA    T    76_A      T    76_A     0.943     0    0.072   1.012     2.283   88.214   80.476
LGA    E    77_A      E    77_A     1.656     0    0.039   1.141     8.513   77.143   47.302
LGA    K    78_A      K    78_A     1.972     4    0.027   0.062     2.727   77.143   40.635
LGA    Q    79_A      Q    79_A     1.234     0    0.117   0.758     3.667   85.952   68.677
LGA    K    80_A      K    80_A     1.246     0    0.024   1.002     2.027   81.548   75.820
LGA    K    81_A      K    81_A     1.529     4    0.028   0.027     1.755   79.286   43.333
LGA    G    82_A      G    82_A     1.174     0    0.018   0.018     1.193   81.429   81.429
LGA    A    83_A      A    83_A     1.876     0    0.046   0.047     2.493   72.976   71.333
LGA    R    84_A      R    84_A     2.327     0    0.052   0.797     7.534   64.881   45.931
LGA    K    85_A      K    85_A     1.555     0    0.043   1.077     3.658   75.000   66.296
LGA    V    86_A      V    86_A     1.488     0    0.068   0.185     1.872   77.143   75.306
LGA    V    87_A      V    87_A     2.440     0    0.052   1.181     5.401   64.762   58.163
LGA    R    88_A      R    88_A     2.198     0    0.081   0.897     4.352   73.095   57.316
LGA    H    89_A      H    89_A     0.667     0    0.051   1.190     5.358   88.214   64.714
LGA    I    90_A      I    90_A     1.373     0    0.040   0.735     1.993   81.429   78.214
LGA    R    91_A      R    91_A     0.572     0    0.048   1.388     7.537   92.857   59.610
LGA    A    92_A      A    92_A     0.509     0    0.056   0.056     1.449   90.595   90.571
LGA    K    93_A      K    93_A     1.422     0    0.136   0.940     5.628   83.690   61.693
LGA    E    94_A      E    94_A     1.412     0    0.089   0.327     2.724   77.143   73.016
LGA    Q    95_A      Q    95_A     1.528     4    0.046   0.065     1.600   75.000   41.429
LGA    E    96_A      E    96_A     1.763     0    0.059   1.143     4.043   72.857   64.497
LGA    Y    97_A      Y    97_A     1.725     0    0.058   1.254    10.357   72.857   40.873
LGA    W    98_A      W    98_A     1.942     0    0.060   0.468     2.888   68.810   68.333
LGA    K    99_A      K    99_A     2.043     0    0.069   0.915     4.755   64.762   58.889
LGA    Q   100_A      Q   100_A     2.236     0    0.022   1.101     5.958   64.762   48.307
LGA    I   101_A      I   101_A     2.089     0    0.053   0.290     2.250   64.762   67.857
LGA    L   102_A      L   102_A     2.190     0    0.042   1.048     3.566   64.762   66.310
LGA    A   103_A      A   103_A     2.444     0    0.040   0.046     2.655   62.857   61.714
LGA    K   104_A      K   104_A     2.495     0    0.034   1.268     4.971   64.762   62.116
LGA    Y   105_A      Y   105_A     2.304     0    0.215   0.258     2.555   62.857   64.127
LGA    D   106_A      D   106_A     2.232     0    0.083   0.509     3.756   66.786   64.226
LGA    P   107_A      P   107_A     1.420     0    0.107   0.198     2.013   79.286   76.599
LGA    E   108_A      E   108_A     1.215     0    0.209   0.930     2.802   85.952   76.032
LGA    D   109_A      D   109_A     0.679     0    0.164   0.670     4.551   83.810   67.679
LGA    Q   110_A      Q   110_A     1.845     0    0.199   1.085     6.938   67.857   51.270
LGA    Y   111_A      Y   111_A     1.670     0    0.074   1.252     8.517   75.000   47.698
LGA    K   112_A      K   112_A     1.984     0    0.072   0.655     3.938   65.000   56.085
LGA    E   113_A      E   113_A     3.114     0    0.033   1.125     8.540   50.119   36.561
LGA    N   114_A      N   114_A     3.049     0    0.124   1.049     5.506   53.571   50.000
LGA    Y   115_A      Y   115_A     3.243     0    0.128   0.863     5.889   50.000   41.468
LGA    E   116_A      E   116_A     3.186     0    0.038   1.210     6.239   50.000   39.894
LGA    T   117_A      T   117_A     2.978     0    0.070   1.322     4.183   51.905   52.381
LGA    F   118_A      F   118_A     3.721     0    0.030   1.290     4.296   43.452   45.887
LGA    L   119_A      L   119_A     4.203     0    0.253   0.829     7.257   38.690   31.190
LGA    A   120_A      A   120_A     5.598     0    0.640   0.606     8.081   14.881   15.333
LGA    A   121_A      A   121_A    12.007     0    0.134   0.121    15.820    0.119    0.095

# 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):     2.701          2.756                  3.424           67.584   59.261

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     86    2.08    73.387    72.332     3.937

LGA_LOCAL      RMSD:   2.084  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.729  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.701  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.979148 * X  +  -0.024862 * Y  +  -0.201621 * Z  +  17.254265
  Y_new =   0.167011 * X  +  -0.466526 * Y  +   0.868597 * Z  +  -5.456142
  Z_new =  -0.115657 * X  +  -0.884158 * Y  +  -0.452645 * Z  +  13.793360 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.168942  0.115916 -2.043959   [DEG:    9.6796    6.6415 -117.1102 ]
ZXZ: -2.913509  2.040526 -3.011521   [DEG: -166.9318  116.9135 -172.5475 ]
 
# END of job
