
#######################################################
#                                                     #
#                        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       2.21     2.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90      29_A - 118_A       1.96     2.23
  LCS_AVERAGE:     94.47

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      38_A - 105_A       0.99     2.54
  LONGEST_CONTINUOUS_SEGMENT:    68      39_A - 106_A       0.98     2.54
  LCS_AVERAGE:     63.41

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     59   90   93     14   43   65   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    30_A     I    30_A     59   90   93     14   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    31_A     D    31_A     60   90   93     14   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    32_A     E    32_A     60   90   93     14   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    33_A     I    33_A     60   90   93     14   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    34_A     I    34_A     60   90   93     14   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    35_A     E    35_A     60   90   93     13   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     N    36_A     N    36_A     60   90   93     14   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    37_A     R    37_A     60   90   93     14   43   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    38_A     K    38_A     68   90   93     14   42   65   78   81   83   85   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    39_A     L    39_A     68   90   93     14   43   68   78   81   83   85   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    40_A     L    40_A     68   90   93     14   43   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    41_A     V    41_A     68   90   93     14   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    42_A     P    42_A     68   90   93     14   48   72   78   81   83   85   88   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    43_A     Y    43_A     68   90   93     14   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    44_A     I    44_A     68   90   93     14   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    45_A     K    45_A     68   90   93     12   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    46_A     C    46_A     68   90   93     14   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    47_A     T    47_A     68   90   93      9   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    48_A     L    48_A     68   90   93     15   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    49_A     D    49_A     68   90   93      9   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    50_A     Q    50_A     68   90   93      9   43   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    51_A     G    51_A     68   90   93     11   43   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    52_A     R    52_A     68   90   93     12   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    53_A     C    53_A     68   90   93     12   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    54_A     T    54_A     68   90   93     12   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P    55_A     P    55_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    56_A     E    56_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    57_A     G    57_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    58_A     R    58_A     68   90   93     11   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    59_A     E    59_A     68   90   93     11   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L    60_A     L    60_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    61_A     K    61_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    62_A     A    62_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    63_A     H    63_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    64_A     I    64_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    65_A     K    65_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D    66_A     D    66_A     68   90   93     17   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    67_A     A    67_A     68   90   93     17   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     M    68_A     M    68_A     68   90   93     12   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    69_A     Q    69_A     68   90   93      7   44   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    70_A     T    70_A     68   90   93     12   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    71_A     S    71_A     68   90   93      5   43   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    72_A     C    72_A     68   90   93     11   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     S    73_A     S    73_A     68   90   93     11   45   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    74_A     K    74_A     68   90   93     11   42   70   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     C    75_A     C    75_A     68   90   93     11   45   71   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T    76_A     T    76_A     68   90   93     11   45   71   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    77_A     E    77_A     68   90   93     11   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    78_A     K    78_A     68   90   93     11   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    79_A     Q    79_A     68   90   93     11   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    80_A     K    80_A     68   90   93     11   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    81_A     K    81_A     68   90   93      9   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     G    82_A     G    82_A     68   90   93     11   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    83_A     A    83_A     68   90   93     15   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    84_A     R    84_A     68   90   93     16   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    85_A     K    85_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    86_A     V    86_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     V    87_A     V    87_A     68   90   93      8   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    88_A     R    88_A     68   90   93      8   43   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     H    89_A     H    89_A     68   90   93     15   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I    90_A     I    90_A     68   90   93     15   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     R    91_A     R    91_A     68   90   93      8   43   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A    92_A     A    92_A     68   90   93     11   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    93_A     K    93_A     68   90   93     14   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    94_A     E    94_A     68   90   93     15   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q    95_A     Q    95_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E    96_A     E    96_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y    97_A     Y    97_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     W    98_A     W    98_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K    99_A     K    99_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   100_A     Q   100_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     I   101_A     I   101_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   102_A     L   102_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   103_A     A   103_A     68   90   93     15   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   104_A     K   104_A     68   90   93      8   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   105_A     Y   105_A     68   90   93     18   48   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   106_A     D   106_A     68   90   93     13   47   72   78   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     P   107_A     P   107_A     66   90   93      5   30   51   75   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   108_A     E   108_A     28   90   93      4   11   54   67   81   83   84   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     D   109_A     D   109_A     28   90   93      8   24   58   77   81   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Q   110_A     Q   110_A     11   90   93      5    8   23   51   67   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   111_A     Y   111_A     11   90   93      9   14   30   61   68   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     K   112_A     K   112_A     11   90   93      9   11   11   12   30   58   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   113_A     E   113_A     11   90   93      9   11   11   11   23   42   56   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     N   114_A     N   114_A     11   90   93      9   11   19   29   42   72   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     Y   115_A     Y   115_A     11   90   93      9   11   29   46   65   83   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     E   116_A     E   116_A     11   90   93      9   11   23   35   44   64   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     T   117_A     T   117_A     11   90   93      9   11   12   29   38   45   61   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     F   118_A     F   118_A     11   90   93      9   11   14   28   39   62   72   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     L   119_A     L   119_A     11   24   93      9   11   17   29   56   66   85   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   120_A     A   120_A     11   24   93      8   11   19   29   40   57   69   89   92   93   93   93   93   93   93   93   93   93   93   93 
LCS_GDT     A   121_A     A   121_A     11   23   93      4   11   11   12   32   44   61   73   84   93   93   93   93   93   93   93   93   93   93   93 
LCS_AVERAGE  LCS_A:  85.96  (  63.41   94.47  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     18     48     72     78     81     83     85     89     92     93     93     93     93     93     93     93     93     93     93     93 
GDT PERCENT_AT  19.35  51.61  77.42  83.87  87.10  89.25  91.40  95.70  98.92 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.75   0.98   1.06   1.19   1.33   1.53   2.10   2.10   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21
GDT RMS_ALL_AT   2.87   2.57   2.50   2.48   2.47   2.43   2.34   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21   2.21

# 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:  D    49_A      D    49_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  Y    97_A      Y    97_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  E   113_A      E   113_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     1.728     0    0.290   1.449     3.573   71.429   67.798
LGA    I    30_A      I    30_A     1.130     0    0.037   0.715     3.007   88.333   79.881
LGA    D    31_A      D    31_A     0.531     0    0.044   0.343     1.849   92.857   87.202
LGA    E    32_A      E    32_A     0.844     0    0.080   0.995     3.323   88.214   75.608
LGA    I    33_A      I    33_A     0.747     0    0.043   0.611     2.956   90.476   85.179
LGA    I    34_A      I    34_A     0.581     0    0.097   1.204     2.977   90.476   81.071
LGA    E    35_A      E    35_A     0.748     0    0.097   0.457     3.014   83.810   73.651
LGA    N    36_A      N    36_A     1.737     0    0.090   0.246     3.406   75.000   65.238
LGA    R    37_A      R    37_A     1.930     0    0.096   1.539     6.719   70.833   54.978
LGA    K    38_A      K    38_A     2.446     0    0.136   1.181     5.902   62.857   55.979
LGA    L    39_A      L    39_A     1.896     0    0.048   0.301     3.444   70.833   65.060
LGA    L    40_A      L    40_A     1.350     0    0.039   1.055     3.138   79.286   75.357
LGA    V    41_A      V    41_A     1.348     0    0.063   1.062     2.963   81.429   75.510
LGA    P    42_A      P    42_A     1.496     0    0.035   0.240     2.181   81.429   76.599
LGA    Y    43_A      Y    43_A     1.096     0    0.057   0.273     2.945   83.690   73.849
LGA    I    44_A      I    44_A     0.707     0    0.066   0.686     2.490   90.476   85.000
LGA    K    45_A      K    45_A     0.762     0    0.090   0.648     1.929   92.857   87.566
LGA    C    46_A      C    46_A     0.941     0    0.038   0.128     0.977   90.476   90.476
LGA    T    47_A      T    47_A     1.080     0    0.107   1.207     2.723   81.429   76.735
LGA    L    48_A      L    48_A     0.755     0    0.153   1.423     3.989   88.214   73.393
LGA    D    49_A      D    49_A     1.017     0    0.071   0.794     3.218   81.548   76.488
LGA    Q    50_A      Q    50_A     1.165     0    0.144   0.936     4.853   79.524   68.042
LGA    G    51_A      G    51_A     0.860     0    0.013   0.013     1.023   88.214   88.214
LGA    R    52_A      R    52_A     1.036     0    0.050   1.825    10.119   85.952   48.442
LGA    C    53_A      C    53_A     0.531     0    0.058   0.135     0.690   92.857   92.063
LGA    T    54_A      T    54_A     0.528     0    0.069   0.934     2.258   97.619   88.299
LGA    P    55_A      P    55_A     0.847     0    0.056   0.057     1.029   88.214   89.184
LGA    E    56_A      E    56_A     1.092     0    0.066   1.638     6.388   88.214   64.339
LGA    G    57_A      G    57_A     0.754     0    0.055   0.055     0.845   90.476   90.476
LGA    R    58_A      R    58_A     1.286     0    0.098   1.398     9.845   81.429   50.736
LGA    E    59_A      E    59_A     1.259     0    0.069   0.241     3.473   83.690   71.693
LGA    L    60_A      L    60_A     0.697     0    0.025   1.213     2.981   90.476   84.286
LGA    K    61_A      K    61_A     0.656     0    0.026   0.720     2.804   90.476   79.153
LGA    A    62_A      A    62_A     1.144     0    0.038   0.043     1.307   83.690   83.238
LGA    H    63_A      H    63_A     1.288     0    0.027   0.149     1.482   81.429   81.429
LGA    I    64_A      I    64_A     1.093     0    0.032   0.654     2.684   81.429   80.655
LGA    K    65_A      K    65_A     1.220     0    0.039   0.563     2.708   81.429   72.328
LGA    D    66_A      D    66_A     1.726     0    0.028   0.121     2.604   72.976   68.929
LGA    A    67_A      A    67_A     1.711     0    0.080   0.078     2.355   70.833   72.952
LGA    M    68_A      M    68_A     1.687     0    0.053   1.097     4.380   70.833   67.381
LGA    Q    69_A      Q    69_A     2.521     0    0.069   0.285     3.670   60.952   55.714
LGA    T    70_A      T    70_A     1.716     0    0.068   0.789     2.624   72.857   73.061
LGA    S    71_A      S    71_A     1.882     0    0.022   0.594     1.944   72.857   72.857
LGA    C    72_A      C    72_A     1.848     0    0.051   0.414     2.360   72.857   70.159
LGA    S    73_A      S    73_A     1.623     0    0.040   0.679     3.418   72.857   69.048
LGA    K    74_A      K    74_A     1.893     0    0.258   1.639     7.445   68.810   55.873
LGA    C    75_A      C    75_A     1.949     0    0.064   0.243     2.328   68.810   70.159
LGA    T    76_A      T    76_A     1.917     0    0.080   1.029     3.357   72.857   70.816
LGA    E    77_A      E    77_A     1.795     0    0.033   0.983     4.329   72.857   62.169
LGA    K    78_A      K    78_A     1.548     4    0.044   0.059     1.639   75.000   42.381
LGA    Q    79_A      Q    79_A     1.542     0    0.116   0.119     1.563   75.000   77.619
LGA    K    80_A      K    80_A     2.023     0    0.042   0.678     3.181   68.810   63.228
LGA    K    81_A      K    81_A     2.157     4    0.030   0.033     2.309   68.810   37.778
LGA    G    82_A      G    82_A     1.689     0    0.042   0.042     1.878   77.143   77.143
LGA    A    83_A      A    83_A     1.114     0    0.054   0.054     1.330   85.952   85.048
LGA    R    84_A      R    84_A     1.146     0    0.046   0.960     3.230   81.429   75.584
LGA    K    85_A      K    85_A     1.551     0    0.045   0.944     2.166   79.286   76.720
LGA    V    86_A      V    86_A     0.986     0    0.037   0.137     1.169   83.690   85.306
LGA    V    87_A      V    87_A     1.110     0    0.030   1.176     3.216   81.429   75.850
LGA    R    88_A      R    88_A     1.590     0    0.051   1.251     6.829   77.143   57.706
LGA    H    89_A      H    89_A     1.180     0    0.032   1.235     6.362   81.429   56.333
LGA    I    90_A      I    90_A     1.473     0    0.027   0.089     1.647   77.143   75.000
LGA    R    91_A      R    91_A     1.547     0    0.069   1.386     6.933   77.143   56.667
LGA    A    92_A      A    92_A     1.447     0    0.095   0.096     1.592   79.286   79.714
LGA    K    93_A      K    93_A     1.385     0    0.153   0.838     3.604   75.119   68.413
LGA    E    94_A      E    94_A     1.622     0    0.101   0.549     3.198   75.000   74.127
LGA    Q    95_A      Q    95_A     1.903     4    0.058   0.080     2.155   72.857   39.577
LGA    E    96_A      E    96_A     1.863     0    0.051   1.157     5.701   72.857   54.074
LGA    Y    97_A      Y    97_A     1.296     0    0.056   0.624     3.163   81.548   71.984
LGA    W    98_A      W    98_A     1.402     0    0.039   0.134     2.441   81.429   72.415
LGA    K    99_A      K    99_A     1.456     0    0.053   1.140     5.563   81.429   63.704
LGA    Q   100_A      Q   100_A     0.775     0    0.047   1.044     3.780   90.595   80.370
LGA    I   101_A      I   101_A     0.803     0    0.027   0.145     1.794   85.952   83.750
LGA    L   102_A      L   102_A     1.462     0    0.024   1.133     3.465   81.429   73.274
LGA    A   103_A      A   103_A     1.112     0    0.065   0.064     1.189   83.690   83.238
LGA    K   104_A      K   104_A     0.883     0    0.017   0.629     4.876   90.476   75.344
LGA    Y   105_A      Y   105_A     1.091     0    0.116   0.509     2.110   81.548   78.651
LGA    D   106_A      D   106_A     1.800     0    0.114   0.219     3.306   70.952   66.071
LGA    P   107_A      P   107_A     3.240     0    0.027   0.245     4.136   51.786   48.231
LGA    E   108_A      E   108_A     3.738     0    0.200   0.669     7.978   51.905   30.423
LGA    D   109_A      D   109_A     2.267     0    0.224   0.429     3.846   55.595   67.440
LGA    Q   110_A      Q   110_A     3.576     0    0.227   1.304    10.760   43.810   26.825
LGA    Y   111_A      Y   111_A     3.013     0    0.264   1.375    11.983   55.357   29.405
LGA    K   112_A      K   112_A     3.765     0    0.033   1.299    10.488   43.452   26.825
LGA    E   113_A      E   113_A     4.943     0    0.034   1.044    11.178   31.548   17.725
LGA    N   114_A      N   114_A     4.213     0    0.056   0.804     6.274   38.810   31.012
LGA    Y   115_A      Y   115_A     3.140     0    0.098   1.272    11.448   50.000   29.127
LGA    E   116_A      E   116_A     4.094     0    0.028   0.782     4.918   35.833   41.164
LGA    T   117_A      T   117_A     5.788     0    0.033   0.173     6.524   22.857   21.156
LGA    F   118_A      F   118_A     5.432     0    0.043   1.232     8.199   25.000   19.610
LGA    L   119_A      L   119_A     4.413     0    0.174   1.402     6.431   32.857   29.345
LGA    A   120_A      A   120_A     5.838     0    0.235   0.236     6.752   19.524   19.905
LGA    A   121_A      A   121_A     7.104     0    0.138   0.136     8.635    9.286   10.095

# 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):     2.207          2.235                  3.159           73.469   65.373

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     89    2.10    82.796    89.705     4.041

LGA_LOCAL      RMSD:   2.102  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.213  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   2.207  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.731407 * X  +  -0.113163 * Y  +  -0.672487 * Z  +  17.521132
  Y_new =   0.634327 * X  +  -0.249120 * Y  +   0.731825 * Z  +  -7.719520
  Z_new =  -0.250345 * X  +  -0.961838 * Y  +  -0.110426 * Z  +  13.788646 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.714435  0.253037 -1.685103   [DEG:   40.9341   14.4980  -96.5493 ]
ZXZ: -2.398424  1.681448 -2.886964   [DEG: -137.4196   96.3399 -165.4109 ]
 
# END of job
