
#######################################################
#                                                     #
#                        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       3.11     3.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44      29_A - 72_A        1.85     3.96
  LCS_AVERAGE:     42.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      29_A - 49_A        0.87     4.60
  LCS_AVERAGE:     16.20

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     21   44   93      7   18   44   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     21   44   93      7   19   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     21   44   93      7   27   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     21   44   93      7   16   45   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     21   44   93      7   19   44   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     21   44   93      7   18   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     21   44   93      7   19   44   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     21   44   93      8   19   31   60   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     21   44   93      8   19   31   60   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     21   44   93      8   19   44   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     21   44   93      8   19   44   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     21   44   93      8   19   44   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     21   44   93      8   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     21   44   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     21   44   93      8   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     21   44   93      8   22   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     21   44   93      9   27   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     21   44   93      7   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     21   44   93      7   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     21   44   93      5   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     21   44   93      9   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     16   44   93      3    7   20   45   62   71   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A     13   44   93      3    3    9   36   62   71   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A      3   44   93      8   13   21   43   65   72   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A      3   44   93      3    4    7    9   12   17   43   74   82   84   87   91   91   92   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     17   44   93      7   16   28   59   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     17   44   93      7   16   28   55   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     17   44   93      7   15   41   59   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     17   44   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     17   44   93     10   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     17   44   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     17   44   93     10   22   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     17   44   93      9   24   47   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     17   44   93     10   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     17   44   93     10   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     17   44   93     10   18   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     17   44   93     10   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     17   44   93     10   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     17   44   93     10   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     17   44   93     10   26   47   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     17   44   93     10   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     17   44   93      7   24   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A      3   44   93      4   18   25   34   52   68   72   80   81   83   86   87   89   91   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A      5   44   93      4   16   47   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A      5   39   93      4    5   18   29   45   67   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A      5   39   93      4    5   15   20   23   43   65   78   82   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     11   39   93      4    5   14   22   46   66   75   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     11   39   93      5   20   35   56   67   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     11   39   93      6   22   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     11   39   93      7   22   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     11   39   93      7   21   45   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     11   39   93      7   22   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     11   39   93      6   21   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     11   39   93      5   21   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     11   39   93      7   22   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     11   39   93      6   26   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     11   39   93      5   10   36   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     10   39   93      6   10   26   35   65   72   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     10   39   93      6   15   19   31   62   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     10   39   93      6   11   34   52   67   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     10   39   93      6   22   47   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     10   39   93      6   20   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     10   39   93      6   10   16   29   62   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     10   39   93      6   11   18   45   61   72   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     17   39   93      4   11   44   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     17   39   93      4   25   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     17   39   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     17   39   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     17   39   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     17   39   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     17   39   93      9   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     17   39   93      9   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     17   39   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     17   39   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     17   39   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     17   39   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     17   39   93     12   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     17   39   93     11   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     17   39   93      7   27   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     17   39   93      4   28   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     17   39   93      9   26   48   62   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     14   39   93      3   15   21   45   64   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     14   39   93      6   18   43   61   68   73   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     11   38   93      5   10   18   31   46   68   80   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     11   38   93      5   10   11   12   17   33   42   74   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     11   23   93      6   10   16   23   30   53   70   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     11   23   93      6   10   17   24   35   60   79   82   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     11   23   93      6   10   16   23   30   37   43   74   85   86   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     11   23   93      6   10   13   23   30   33   41   53   71   81   87   91   91   92   93   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     11   23   93      6   10   14   23   30   34   43   61   74   84   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     11   23   93      6   10   16   23   30   35   43   61   73   84   88   91   91   92   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     11   23   93      6   10   14   23   30   33   41   52   65   76   85   91   91   92   93   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A     11   23   93      3   10   11   12   28   33   37   49   59   66   82   88   91   92   93   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  53.06  (  16.20   42.98  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     12     28     48     62     68     73     80     82     85     86     88     91     91     92     93     93     93     93     93     93 
GDT PERCENT_AT  12.90  30.11  51.61  66.67  73.12  78.49  86.02  88.17  91.40  92.47  94.62  97.85  97.85  98.92 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.71   1.10   1.29   1.43   1.61   1.92   2.04   2.32   2.43   2.63   2.90   2.90   3.05   3.11   3.11   3.11   3.11   3.11   3.11
GDT RMS_ALL_AT   3.89   3.71   3.50   3.54   3.58   3.51   3.39   3.34   3.22   3.19   3.15   3.12   3.12   3.12   3.11   3.11   3.11   3.11   3.11   3.11

# Checking swapping
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  E    32_A      E    32_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  E    96_A      E    96_A
#   possible swapping detected:  Y    97_A      Y    97_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  D   106_A      D   106_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  Y   111_A      Y   111_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     1.756     0    0.207   1.019     3.853   70.833   66.131
LGA    I    30_A      I    30_A     1.535     0    0.041   1.671     4.674   75.000   65.952
LGA    D    31_A      D    31_A     1.082     0    0.079   0.220     2.123   81.429   76.131
LGA    E    32_A      E    32_A     1.616     0    0.060   0.740     1.998   75.000   75.714
LGA    I    33_A      I    33_A     1.791     0    0.060   0.173     2.249   72.857   69.821
LGA    I    34_A      I    34_A     1.541     0    0.195   1.273     2.763   75.000   70.060
LGA    E    35_A      E    35_A     1.990     0    0.116   0.278     3.668   61.548   69.735
LGA    N    36_A      N    36_A     3.039     0    0.134   1.010     4.101   51.786   49.286
LGA    R    37_A      R    37_A     2.941     0    0.081   1.178     4.626   57.262   56.667
LGA    K    38_A      K    38_A     2.471     0    0.152   1.065     6.817   60.952   48.466
LGA    L    39_A      L    39_A     2.188     0    0.065   0.189     2.924   68.810   63.929
LGA    L    40_A      L    40_A     2.044     0    0.054   1.385     3.051   68.810   66.071
LGA    V    41_A      V    41_A     1.044     0    0.028   0.141     1.313   85.952   87.891
LGA    P    42_A      P    42_A     0.649     0    0.054   0.551     1.687   90.476   86.667
LGA    Y    43_A      Y    43_A     0.594     0    0.100   0.243     1.818   90.476   85.992
LGA    I    44_A      I    44_A     1.290     0    0.082   0.664     2.894   83.690   77.381
LGA    K    45_A      K    45_A     1.244     0    0.122   0.146     3.775   85.952   70.212
LGA    C    46_A      C    46_A     0.488     0    0.070   0.843     2.500   97.619   92.540
LGA    T    47_A      T    47_A     0.920     0    0.157   1.244     3.813   85.952   79.864
LGA    L    48_A      L    48_A     1.250     0    0.124   0.166     1.914   83.690   81.488
LGA    D    49_A      D    49_A     0.704     0    0.297   0.378     1.719   81.548   89.583
LGA    Q    50_A      Q    50_A     3.572     0    0.727   1.238     7.425   37.976   27.778
LGA    G    51_A      G    51_A     3.638     0    0.127   0.127     4.174   43.452   43.452
LGA    R    52_A      R    52_A     3.126     0    0.208   1.557     9.758   42.619   28.398
LGA    C    53_A      C    53_A     5.420     0    0.664   0.636    10.641   39.881   27.778
LGA    T    54_A      T    54_A     2.751     0    0.561   1.433     6.777   62.976   44.082
LGA    P    55_A      P    55_A     2.830     0    0.072   0.510     4.756   60.952   52.653
LGA    E    56_A      E    56_A     2.566     0    0.042   1.380     3.589   65.000   58.360
LGA    G    57_A      G    57_A     1.091     0    0.049   0.049     1.412   81.429   81.429
LGA    R    58_A      R    58_A     1.336     0    0.085   0.894     3.554   81.429   69.004
LGA    E    59_A      E    59_A     1.756     0    0.057   0.542     3.553   72.857   67.831
LGA    L    60_A      L    60_A     1.622     0    0.039   0.122     2.338   75.000   71.905
LGA    K    61_A      K    61_A     1.581     0    0.106   1.004    10.170   79.286   48.148
LGA    A    62_A      A    62_A     1.127     0    0.059   0.055     1.513   83.690   81.524
LGA    H    63_A      H    63_A     1.576     0    0.059   0.750     2.943   75.000   68.952
LGA    I    64_A      I    64_A     1.656     0    0.067   0.683     3.861   75.000   68.214
LGA    K    65_A      K    65_A     1.147     0    0.031   0.211     2.015   81.429   78.624
LGA    D    66_A      D    66_A     1.187     0    0.031   0.894     4.466   81.429   66.429
LGA    A    67_A      A    67_A     1.466     0    0.088   0.094     1.765   79.286   78.000
LGA    M    68_A      M    68_A     1.671     0    0.042   0.910     1.794   72.857   75.000
LGA    Q    69_A      Q    69_A     1.427     0    0.612   1.111     4.156   71.429   65.767
LGA    T    70_A      T    70_A     0.548     0    0.331   1.014     4.641   88.214   72.313
LGA    S    71_A      S    71_A     5.488     0    0.367   0.374     9.312   33.214   23.571
LGA    C    72_A      C    72_A     2.053     0    0.229   0.306     3.204   78.095   69.921
LGA    S    73_A      S    73_A     4.296     0    0.068   0.179     6.396   36.310   30.635
LGA    K    74_A      K    74_A     7.557     0    0.249   0.727    14.496   11.667    5.344
LGA    C    75_A      C    75_A     4.751     0    0.086   0.281     6.736   46.429   37.540
LGA    T    76_A      T    76_A     2.422     0    0.082   0.151     4.089   50.595   51.361
LGA    E    77_A      E    77_A     1.311     0    0.042   1.270     4.854   79.286   66.085
LGA    K    78_A      K    78_A     1.300     4    0.067   0.070     1.378   81.429   45.238
LGA    Q    79_A      Q    79_A     1.616     0    0.101   1.453     5.677   77.143   59.947
LGA    K    80_A      K    80_A     1.389     0    0.022   0.668     4.217   81.429   66.085
LGA    K    81_A      K    81_A     1.518     4    0.046   0.043     1.564   75.000   41.429
LGA    G    82_A      G    82_A     1.562     0    0.063   0.063     1.562   79.286   79.286
LGA    A    83_A      A    83_A     1.372     0    0.111   0.121     1.656   81.429   79.714
LGA    R    84_A      R    84_A     1.069     0    0.163   0.973     4.684   85.952   66.926
LGA    K    85_A      K    85_A     2.115     0    0.072   0.893    10.422   70.952   40.794
LGA    V    86_A      V    86_A     3.245     0    0.078   0.194     5.777   61.071   46.190
LGA    V    87_A      V    87_A     2.994     0    0.045   0.069     5.107   60.952   48.367
LGA    R    88_A      R    88_A     2.673     0    0.091   1.012     8.415   64.881   39.091
LGA    H    89_A      H    89_A     1.536     0    0.055   0.874     7.634   81.548   48.857
LGA    I    90_A      I    90_A     1.611     0    0.053   1.262     6.876   79.286   58.274
LGA    R    91_A      R    91_A     3.210     0    0.108   1.184    11.457   52.500   25.758
LGA    A    92_A      A    92_A     3.585     0    0.160   0.158     4.756   53.810   49.333
LGA    K    93_A      K    93_A     2.082     0    0.237   0.679     7.738   73.690   44.974
LGA    E    94_A      E    94_A     1.173     0    0.384   0.509     2.746   83.690   77.831
LGA    Q    95_A      Q    95_A     0.927     4    0.126   0.132     1.346   85.952   47.249
LGA    E    96_A      E    96_A     0.906     0    0.075   1.150     5.307   90.476   66.349
LGA    Y    97_A      Y    97_A     0.837     0    0.050   0.481     2.771   92.857   76.944
LGA    W    98_A      W    98_A     0.474     0    0.016   1.542     5.655   97.619   72.177
LGA    K    99_A      K    99_A     0.536     0    0.084   0.603     2.234   92.857   85.714
LGA    Q   100_A      Q   100_A     1.011     0    0.058   0.569     2.671   88.214   77.989
LGA    I   101_A      I   101_A     0.634     0    0.080   0.091     1.008   88.214   90.536
LGA    L   102_A      L   102_A     0.856     0    0.057   1.204     3.950   90.476   75.476
LGA    A   103_A      A   103_A     0.708     0    0.044   0.043     0.894   95.238   94.286
LGA    K   104_A      K   104_A     0.483     0    0.048   0.452     0.998   97.619   93.651
LGA    Y   105_A      Y   105_A     0.622     0    0.152   0.308     2.539   88.214   82.579
LGA    D   106_A      D   106_A     0.925     0    0.149   0.810     3.375   85.952   76.726
LGA    P   107_A      P   107_A     1.004     0    0.058   0.314     1.465   88.214   86.599
LGA    E   108_A      E   108_A     1.466     0    0.065   0.526     2.744   79.405   73.122
LGA    D   109_A      D   109_A     1.180     0    0.379   0.698     4.576   67.738   59.643
LGA    Q   110_A      Q   110_A     3.062     0    0.221   1.065     9.299   51.071   31.693
LGA    Y   111_A      Y   111_A     1.911     0    0.307   0.305     3.499   68.810   65.714
LGA    K   112_A      K   112_A     4.013     0    0.061   1.000     5.821   36.190   31.905
LGA    E   113_A      E   113_A     6.793     0    0.060   0.691    11.377   15.000    7.778
LGA    N   114_A      N   114_A     6.062     0    0.040   0.251     6.745   18.333   18.333
LGA    Y   115_A      Y   115_A     4.913     0    0.088   1.084     9.083   27.619   30.556
LGA    E   116_A      E   116_A     6.795     0    0.034   1.204     8.385   11.667   11.534
LGA    T   117_A      T   117_A     8.971     0    0.031   0.973    10.049    2.857    2.313
LGA    F   118_A      F   118_A     8.337     0    0.045   1.732     9.192    4.286    5.498
LGA    L   119_A      L   119_A     7.863     0    0.163   0.158     8.630    5.000   10.714
LGA    A   120_A      A   120_A    10.196     0    0.259   0.274    11.652    0.357    0.286
LGA    A   121_A      A   121_A    11.471     0    0.112   0.115    12.760    0.000    0.000

# 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):     3.113          3.100                  3.867           66.728   57.883

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     82    2.04    71.237    68.643     3.827

LGA_LOCAL      RMSD:   2.043  Number of atoms:   82  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.336  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   3.113  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.783854 * X  +   0.316559 * Y  +  -0.534194 * Z  +  19.918756
  Y_new =   0.478979 * X  +  -0.855725 * Y  +   0.195737 * Z  +   9.787418
  Z_new =  -0.395161 * X  +  -0.409297 * Y  +  -0.822389 * Z  +  20.268799 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.548509  0.406243 -2.679793   [DEG:   31.4273   23.2760 -153.5408 ]
ZXZ: -1.922021  2.536394 -2.373765   [DEG: -110.1237  145.3247 -136.0067 ]
 
# END of job
