
#######################################################
#                                                     #
#                        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       4.16     4.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84      29_A - 112_A       1.88     4.57
  LCS_AVERAGE:     83.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      52_A - 87_A        0.97     5.66
  LONGEST_CONTINUOUS_SEGMENT:    36      53_A - 88_A        1.00     5.61
  LCS_AVERAGE:     27.80

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     18   84   93      7   15   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     I    30_A     I    30_A     18   84   93      7   28   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     D    31_A     D    31_A     18   84   93      7   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     E    32_A     E    32_A     18   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     I    33_A     I    33_A     18   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     I    34_A     I    34_A     18   84   93      7   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     E    35_A     E    35_A     18   84   93     10   29   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     N    36_A     N    36_A     18   84   93     11   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     R    37_A     R    37_A     18   84   93     11   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    38_A     K    38_A     18   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     L    39_A     L    39_A     18   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     L    40_A     L    40_A     18   84   93     11   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     V    41_A     V    41_A     18   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     P    42_A     P    42_A     18   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     Y    43_A     Y    43_A     18   84   93     11   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     I    44_A     I    44_A     18   84   93     11   30   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    45_A     K    45_A     18   84   93     11   30   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     C    46_A     C    46_A     18   84   93      5   22   50   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     T    47_A     T    47_A     18   84   93      5   10   21   32   53   66   78   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     L    48_A     L    48_A     18   84   93      5   15   30   39   61   70   78   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     D    49_A     D    49_A     18   84   93      5   15   30   39   61   70   78   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     Q    50_A     Q    50_A      4   84   93      1    3   12   39   59   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     G    51_A     G    51_A      4   84   93      0    3    4    8   49   72   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     R    52_A     R    52_A     36   84   93      4   29   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     C    53_A     C    53_A     36   84   93      6   24   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     T    54_A     T    54_A     36   84   93      7   24   52   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     P    55_A     P    55_A     36   84   93      3   24   52   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     E    56_A     E    56_A     36   84   93      9   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     G    57_A     G    57_A     36   84   93      9   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     R    58_A     R    58_A     36   84   93      9   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     E    59_A     E    59_A     36   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     L    60_A     L    60_A     36   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    61_A     K    61_A     36   84   93      9   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     A    62_A     A    62_A     36   84   93      9   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     H    63_A     H    63_A     36   84   93      6   29   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     I    64_A     I    64_A     36   84   93      7   26   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    65_A     K    65_A     36   84   93      6   23   48   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     D    66_A     D    66_A     36   84   93      6   26   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     A    67_A     A    67_A     36   84   93      7   24   52   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     M    68_A     M    68_A     36   84   93      7   24   38   60   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     Q    69_A     Q    69_A     36   84   93      7   24   39   60   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     T    70_A     T    70_A     36   84   93      6   24   42   61   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     S    71_A     S    71_A     36   84   93      6   26   52   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     C    72_A     C    72_A     36   84   93      7   24   52   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     S    73_A     S    73_A     36   84   93      4    9   42   63   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    74_A     K    74_A     36   84   93      5   24   50   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     C    75_A     C    75_A     36   84   93      5   23   52   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     T    76_A     T    76_A     36   84   93      7   28   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     E    77_A     E    77_A     36   84   93      7   28   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    78_A     K    78_A     36   84   93      7   28   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     Q    79_A     Q    79_A     36   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    80_A     K    80_A     36   84   93      7   32   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    81_A     K    81_A     36   84   93      7   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     G    82_A     G    82_A     36   84   93      7   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     A    83_A     A    83_A     36   84   93      7   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     R    84_A     R    84_A     36   84   93      7   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    85_A     K    85_A     36   84   93      7   24   52   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     V    86_A     V    86_A     36   84   93      9   25   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     V    87_A     V    87_A     36   84   93      9   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     R    88_A     R    88_A     36   84   93      9   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     H    89_A     H    89_A     28   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     I    90_A     I    90_A     28   84   93     10   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     R    91_A     R    91_A     28   84   93      9   30   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     A    92_A     A    92_A     28   84   93      9   28   53   67   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    93_A     K    93_A     28   84   93      6   21   53   67   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     E    94_A     E    94_A     28   84   93      8   30   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     Q    95_A     Q    95_A     28   84   93     10   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     E    96_A     E    96_A     28   84   93     11   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     Y    97_A     Y    97_A     28   84   93     10   28   53   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     W    98_A     W    98_A     28   84   93      6   28   54   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K    99_A     K    99_A     28   84   93     11   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     Q   100_A     Q   100_A     28   84   93     11   30   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     I   101_A     I   101_A     28   84   93      9   28   52   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     L   102_A     L   102_A     28   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     A   103_A     A   103_A     28   84   93      9   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K   104_A     K   104_A     28   84   93      8   22   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     Y   105_A     Y   105_A     28   84   93     12   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     D   106_A     D   106_A     28   84   93     10   35   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     P   107_A     P   107_A     27   84   93      8   28   55   68   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     E   108_A     E   108_A     22   84   93      8   14   31   66   74   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     D   109_A     D   109_A     21   84   93      4   14   32   64   73   77   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     Q   110_A     Q   110_A     21   84   93      3   14   25   51   68   75   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     Y   111_A     Y   111_A     18   84   93      4   12   21   39   64   75   80   83   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     K   112_A     K   112_A     12   84   93      4    7    9   13   17   27   60   81   84   84   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     E   113_A     E   113_A      8   40   93      5    7    9    9   10   21   29   62   73   81   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     N   114_A     N   114_A      8   11   93      5    7    9   15   23   30   46   62   73   81   86   88   88   88   89   90   92   92   92   92 
LCS_GDT     Y   115_A     Y   115_A      8   11   93      5    7    9   20   28   38   53   65   78   83   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     E   116_A     E   116_A      8   11   93      5    7   11   19   26   31   39   62   73   81   87   88   88   88   89   90   92   92   92   92 
LCS_GDT     T   117_A     T   117_A      8   11   93      5    7    9    9   16   22   27   33   40   57   62   72   80   82   89   90   92   92   92   92 
LCS_GDT     F   118_A     F   118_A      8   11   93      4    5    9    9   13   22   25   30   35   39   48   54   71   75   81   86   92   92   92   92 
LCS_GDT     L   119_A     L   119_A      5   11   93      4    5    9   10   16   22   26   32   38   44   48   64   71   81   84   90   92   92   92   92 
LCS_GDT     A   120_A     A   120_A      5   11   93      4    5    9    9   11   17   24   28   29   37   40   48   58   68   79   86   92   92   92   92 
LCS_GDT     A   121_A     A   121_A      3    6   93      3    4    5    5    5    6    6   10   11   11   14   18   22   31   35   43   46   57   67   73 
LCS_AVERAGE  LCS_A:  70.27  (  27.80   83.00  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     35     55     68     74     77     80     83     84     84     87     88     88     88     89     90     92     92     92     92 
GDT PERCENT_AT  12.90  37.63  59.14  73.12  79.57  82.80  86.02  89.25  90.32  90.32  93.55  94.62  94.62  94.62  95.70  96.77  98.92  98.92  98.92  98.92
GDT RMS_LOCAL    0.36   0.73   1.02   1.25   1.43   1.52   1.67   1.81   1.88   1.88   2.35   2.49   2.49   2.49   2.79   3.07   3.63   3.63   3.63   3.63
GDT RMS_ALL_AT   4.51   4.51   4.57   4.64   4.69   4.65   4.60   4.59   4.57   4.57   4.41   4.36   4.36   4.36   4.30   4.25   4.18   4.18   4.18   4.18

# Checking swapping
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  D    49_A      D    49_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:  Y   105_A      Y   105_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:  Y   115_A      Y   115_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     1.218     0    0.291   1.225     3.397   79.881   70.536
LGA    I    30_A      I    30_A     1.000     0    0.035   1.691     5.063   88.214   69.226
LGA    D    31_A      D    31_A     1.065     0    0.035   0.458     2.807   85.952   79.583
LGA    E    32_A      E    32_A     0.648     0    0.050   1.076     4.630   88.214   72.540
LGA    I    33_A      I    33_A     0.921     0    0.033   0.247     1.180   85.952   89.464
LGA    I    34_A      I    34_A     1.281     0    0.152   1.169     2.748   81.429   74.226
LGA    E    35_A      E    35_A     1.624     0    0.059   1.172     7.121   79.286   52.540
LGA    N    36_A      N    36_A     1.396     0    0.050   0.179     1.847   81.429   77.143
LGA    R    37_A      R    37_A     1.029     0    0.053   1.231     6.150   85.952   61.775
LGA    K    38_A      K    38_A     0.828     0    0.123   1.402     6.779   90.476   69.630
LGA    L    39_A      L    39_A     0.301     0    0.026   0.132     0.858  100.000   95.238
LGA    L    40_A      L    40_A     0.446     0    0.060   0.160     1.377  100.000   92.976
LGA    V    41_A      V    41_A     0.281     0    0.049   0.198     0.882   97.619   97.279
LGA    P    42_A      P    42_A     0.302     0    0.036   0.238     0.711   97.619   97.279
LGA    Y    43_A      Y    43_A     0.508     0    0.027   0.400     1.925   92.857   83.889
LGA    I    44_A      I    44_A     1.066     0    0.067   0.642     2.213   81.548   79.405
LGA    K    45_A      K    45_A     1.306     0    0.036   0.917     4.035   79.286   65.132
LGA    C    46_A      C    46_A     1.685     0    0.034   0.122     2.879   67.143   66.429
LGA    T    47_A      T    47_A     4.155     0    0.024   0.094     5.113   37.619   35.782
LGA    L    48_A      L    48_A     3.756     0    0.258   0.998     7.411   45.000   36.369
LGA    D    49_A      D    49_A     3.968     0    0.659   1.236    10.192   60.952   33.155
LGA    Q    50_A      Q    50_A     4.101     0    0.120   1.295    10.075   37.143   18.836
LGA    G    51_A      G    51_A     4.150     0    0.614   0.614     4.252   43.690   43.690
LGA    R    52_A      R    52_A     1.764     0    0.687   1.563     8.549   83.810   42.251
LGA    C    53_A      C    53_A     1.455     0    0.098   0.127     1.962   77.143   77.143
LGA    T    54_A      T    54_A     2.122     0    0.025   0.131     2.624   72.976   68.367
LGA    P    55_A      P    55_A     2.248     0    0.687   0.783     4.618   54.524   54.626
LGA    E    56_A      E    56_A     0.921     0    0.075   1.685     7.473   88.214   62.328
LGA    G    57_A      G    57_A     1.198     0    0.058   0.058     1.198   83.690   83.690
LGA    R    58_A      R    58_A     0.977     0    0.035   0.993     7.793   88.214   56.580
LGA    E    59_A      E    59_A     0.256     0    0.026   1.240     4.859  100.000   75.767
LGA    L    60_A      L    60_A     0.289     0    0.101   0.804     3.444   95.238   83.690
LGA    K    61_A      K    61_A     0.785     0    0.092   0.677     1.564   90.476   84.550
LGA    A    62_A      A    62_A     0.923     0    0.034   0.056     1.283   88.214   86.857
LGA    H    63_A      H    63_A     1.268     0    0.129   0.868     3.690   83.690   71.143
LGA    I    64_A      I    64_A     1.276     0    0.032   1.522     6.677   81.429   61.667
LGA    K    65_A      K    65_A     1.903     0    0.076   0.740     4.315   72.857   63.598
LGA    D    66_A      D    66_A     1.228     0    0.048   0.972     3.726   77.143   69.643
LGA    A    67_A      A    67_A     1.864     0    0.052   0.052     2.783   66.905   68.095
LGA    M    68_A      M    68_A     3.087     0    0.110   1.036     5.030   50.476   47.262
LGA    Q    69_A      Q    69_A     3.332     0    0.106   1.023     4.178   51.786   49.418
LGA    T    70_A      T    70_A     2.936     0    0.207   0.961     5.190   60.952   53.878
LGA    S    71_A      S    71_A     1.785     0    0.073   0.599     3.066   72.976   69.127
LGA    C    72_A      C    72_A     2.005     0    0.042   0.082     2.097   68.810   70.159
LGA    S    73_A      S    73_A     2.651     0    0.024   0.680     3.445   59.048   56.032
LGA    K    74_A      K    74_A     2.193     0    0.212   0.705     3.769   62.857   60.952
LGA    C    75_A      C    75_A     1.814     0    0.139   0.544     2.724   70.833   68.889
LGA    T    76_A      T    76_A     1.128     0    0.043   1.048     2.532   83.690   76.871
LGA    E    77_A      E    77_A     1.051     0    0.024   1.223     7.261   88.333   58.995
LGA    K    78_A      K    78_A     0.979     4    0.037   0.067     1.592   90.476   48.307
LGA    Q    79_A      Q    79_A     0.703     0    0.097   0.920     3.809   88.214   79.418
LGA    K    80_A      K    80_A     1.170     0    0.036   0.589     3.388   81.548   74.233
LGA    K    81_A      K    81_A     1.416     4    0.022   0.036     1.844   77.143   43.333
LGA    G    82_A      G    82_A     1.386     0    0.045   0.045     1.700   79.286   79.286
LGA    A    83_A      A    83_A     1.277     0    0.083   0.103     1.561   81.429   79.714
LGA    R    84_A      R    84_A     1.468     0    0.041   1.049     4.588   77.143   61.905
LGA    K    85_A      K    85_A     2.013     0    0.015   0.623     4.747   68.810   56.667
LGA    V    86_A      V    86_A     1.558     0    0.141   1.284     4.225   79.405   68.231
LGA    V    87_A      V    87_A     0.982     0    0.034   0.289     2.121   90.595   85.578
LGA    R    88_A      R    88_A     0.984     0    0.040   1.592     4.348   90.476   70.000
LGA    H    89_A      H    89_A     0.274     0    0.035   1.398     6.773   97.619   63.571
LGA    I    90_A      I    90_A     0.601     0    0.031   1.374     3.049   90.595   80.060
LGA    R    91_A      R    91_A     1.400     0    0.040   1.220     5.175   77.381   64.805
LGA    A    92_A      A    92_A     1.704     0    0.039   0.039     2.255   72.976   72.952
LGA    K    93_A      K    93_A     1.892     0    0.134   0.624     4.069   72.857   59.735
LGA    E    94_A      E    94_A     1.256     0    0.069   1.170     5.227   83.690   63.598
LGA    Q    95_A      Q    95_A     1.103     4    0.037   0.071     1.184   81.429   45.238
LGA    E    96_A      E    96_A     1.117     0    0.061   1.250     6.051   79.286   58.413
LGA    Y    97_A      Y    97_A     1.774     0    0.057   1.394     7.607   72.976   52.063
LGA    W    98_A      W    98_A     1.709     0    0.037   1.339     4.120   72.857   63.333
LGA    K    99_A      K    99_A     1.399     0    0.054   1.006     5.365   81.429   65.079
LGA    Q   100_A      Q   100_A     1.545     0    0.053   0.366     2.179   75.000   73.862
LGA    I   101_A      I   101_A     2.026     0    0.053   1.728     5.323   68.810   58.333
LGA    L   102_A      L   102_A     0.844     0    0.047   1.217     4.613   92.976   74.286
LGA    A   103_A      A   103_A     0.622     0    0.071   0.068     1.123   88.214   88.667
LGA    K   104_A      K   104_A     1.423     0    0.015   0.895     7.074   81.429   59.577
LGA    Y   105_A      Y   105_A     0.686     0    0.058   0.719     3.661   90.476   74.841
LGA    D   106_A      D   106_A     0.485     0    0.076   0.086     1.053   95.238   91.726
LGA    P   107_A      P   107_A     0.844     0    0.070   0.134     1.752   88.214   84.082
LGA    E   108_A      E   108_A     2.207     0    0.149   0.503     5.352   64.881   49.841
LGA    D   109_A      D   109_A     2.280     0    0.153   0.930     4.001   56.190   65.119
LGA    Q   110_A      Q   110_A     3.421     0    0.276   0.760     7.576   41.429   29.365
LGA    Y   111_A      Y   111_A     3.713     0    0.263   0.959     5.862   43.452   36.667
LGA    K   112_A      K   112_A     4.918     0    0.039   0.788    11.421   25.714   15.185
LGA    E   113_A      E   113_A     8.622     0    0.065   1.531    15.853    4.762    2.169
LGA    N   114_A      N   114_A     9.066     0    0.057   1.051    10.838    1.905    1.369
LGA    Y   115_A      Y   115_A     7.543     0    0.102   0.834    10.961    6.548    8.492
LGA    E   116_A      E   116_A     8.790     0    0.088   1.219    11.803    2.500    2.222
LGA    T   117_A      T   117_A    13.323     0    0.043   1.310    16.046    0.000    0.000
LGA    F   118_A      F   118_A    14.861     0    0.046   0.250    18.095    0.000    0.000
LGA    L   119_A      L   119_A    14.040     0    0.155   0.929    15.740    0.000    0.060
LGA    A   120_A      A   120_A    16.387     0    0.371   0.353    20.491    0.000    0.000
LGA    A   121_A      A   121_A    22.590     0    0.089   0.083    26.145    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):     4.162          4.311                  4.782           69.644   59.517

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     83    1.81    74.194    80.310     4.342

LGA_LOCAL      RMSD:   1.811  Number of atoms:   83  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.593  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   4.162  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.104195 * X  +   0.971133 * Y  +   0.214579 * Z  +  17.746103
  Y_new =  -0.268702 * X  +  -0.180242 * Y  +   0.946209 * Z  +  -6.461984
  Z_new =   0.957571 * X  +  -0.156248 * Y  +   0.242166 * Z  +  14.249291 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.200876 -1.278453 -0.573002   [DEG:  -68.8051  -73.2499  -32.8306 ]
ZXZ:  2.918587  1.326199  1.732542   [DEG:  167.2227   75.9856   99.2674 ]
 
# END of job
