
#######################################################
#                                                     #
#                        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  101 (  798),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  706),  selected   87 , 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:    78      15_A - 92_A        4.56    13.93
  LCS_AVERAGE:     82.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      15_A - 89_A        1.98    14.35
  LCS_AVERAGE:     76.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      15_A - 87_A        0.90    14.44
  LCS_AVERAGE:     72.85

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     K    15_A     K    15_A     73   75   78     23   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    16_A     L    16_A     73   75   78     27   64   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    17_A     I    17_A     73   75   78     41   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    18_A     I    18_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    19_A     K    19_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    20_A     A    20_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    21_A     Q    21_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    22_A     L    22_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    23_A     G    23_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    24_A     E    24_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    25_A     D    25_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    26_A     I    26_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    27_A     R    27_A     73   75   78     41   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    28_A     R    28_A     73   75   78     44   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    29_A     I    29_A     73   75   78     44   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     P    30_A     P    30_A     73   75   78     44   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    31_A     I    31_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     H    32_A     H    32_A     73   75   78      5   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    33_A     N    33_A     73   75   78     32   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    34_A     E    34_A     73   75   78     32   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    35_A     D    35_A     73   75   78     32   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    36_A     I    36_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    37_A     T    37_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    38_A     Y    38_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    39_A     D    39_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    40_A     E    40_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    41_A     L    41_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    42_A     V    42_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    43_A     L    43_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    44_A     M    44_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     M    45_A     M    45_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    46_A     Q    46_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    47_A     R    47_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    48_A     V    48_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    49_A     F    49_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    50_A     R    50_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    51_A     G    51_A     73   75   78     14   61   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    52_A     K    52_A     73   75   78     38   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    53_A     L    53_A     73   75   78      4    7   28   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    54_A     L    54_A     73   75   78      4    6   20   62   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    55_A     S    55_A     73   75   78      4   13   33   59   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     N    56_A     N    56_A     73   75   78     29   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    57_A     D    57_A     73   75   78     39   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    58_A     E    58_A     73   75   78     20   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     V    59_A     V    59_A     73   75   78     20   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    60_A     T    60_A     73   75   78     20   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    61_A     I    61_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    62_A     K    62_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Y    63_A     Y    63_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     K    64_A     K    64_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    65_A     A    65_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     E    66_A     E    66_A     73   75   78     22   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    67_A     R    67_A     73   75   78     15   59   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     G    68_A     G    68_A     73   75   78     27   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    69_A     D    69_A     73   75   78     27   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    70_A     L    70_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    71_A     I    71_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     T    72_A     T    72_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    73_A     I    73_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    74_A     F    74_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    75_A     D    75_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    76_A     S    76_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    77_A     S    77_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     D    78_A     D    78_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    79_A     L    79_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    80_A     S    80_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     F    81_A     F    81_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     A    82_A     A    82_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    83_A     I    83_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     Q    84_A     Q    84_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     C    85_A     C    85_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     S    86_A     S    86_A     73   75   78     47   66   69   70   72   72   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     R    87_A     R    87_A     73   75   78      4   10   18   35   65   71   73   73   73   73   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     I    88_A     I    88_A     14   75   78      9   12   14   14   14   16   25   33   47   61   73   74   74   74   74   74   74   75   75   76 
LCS_GDT     L    89_A     L    89_A     14   75   78      9   12   14   14   14   14   16   16   16   18   19   20   27   34   44   53   67   75   75   76 
LCS_GDT     K    90_A     K    90_A     14   16   78      9   12   14   14   14   14   16   16   16   18   19   20   27   34   37   45   51   61   75   76 
LCS_GDT     L    91_A     L    91_A     14   16   78      9   12   14   14   14   14   16   16   16   18   19   20   20   22   22   24   25   28   28   32 
LCS_GDT     T    92_A     T    92_A     14   16   78      9   12   14   14   14   14   16   16   16   18   19   20   20   22   22   24   25   28   28   30 
LCS_GDT     L    93_A     L    93_A     14   16   19      9   12   14   14   14   14   16   16   16   18   19   20   20   22   22   24   25   28   28   30 
LCS_GDT     F    94_A     F    94_A     14   16   19      9   12   14   14   14   14   16   16   16   18   19   20   20   22   22   23   25   28   28   30 
LCS_GDT     V    95_A     V    95_A     14   16   19      9   12   14   14   14   14   16   16   16   18   19   20   20   22   22   23   25   26   28   30 
LCS_GDT     N    96_A     N    96_A     14   16   19      9   12   14   14   14   14   16   16   16   18   18   20   20   22   22   23   25   26   28   30 
LCS_GDT     G    97_A     G    97_A     14   16   19      9   12   14   14   14   14   16   16   16   18   19   20   20   22   22   23   25   26   28   30 
LCS_GDT     Q    98_A     Q    98_A     14   16   19      3   12   14   14   14   14   16   16   16   18   19   20   20   22   22   24   25   28   28   30 
LCS_GDT     P    99_A     P    99_A     14   16   19      3   12   14   14   14   14   16   16   16   18   19   20   20   22   22   24   25   28   28   30 
LCS_GDT     R   100_A     R   100_A     14   16   19      3    6   14   14   14   14   16   16   16   18   19   20   20   22   22   24   25   28   28   30 
LCS_GDT     P   101_A     P   101_A      3   16   19      3    3    3    3    8   14   16   16   16   18   19   20   20   22   22   24   25   28   28   30 
LCS_AVERAGE  LCS_A:  77.45  (  72.85   76.85   82.64 )

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     47     66     69     70     72     72     73     73     73     73     73     74     74     74     74     74     74     75     75     76 
GDT PERCENT_AT  54.02  75.86  79.31  80.46  82.76  82.76  83.91  83.91  83.91  83.91  83.91  85.06  85.06  85.06  85.06  85.06  85.06  86.21  86.21  87.36
GDT RMS_LOCAL    0.28   0.51   0.58   0.64   0.77   0.77   0.90   0.90   0.90   0.90   0.90   1.33   1.33   1.33   1.33   1.33   1.33   1.98   1.98   2.59
GDT RMS_ALL_AT  14.48  14.47  14.45  14.45  14.45  14.45  14.44  14.44  14.44  14.44  14.44  14.41  14.41  14.41  14.41  14.41  14.41  14.35  14.35  14.26

# Checking swapping
#   possible swapping detected:  E    24_A      E    24_A
#   possible swapping detected:  D    25_A      D    25_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  D    39_A      D    39_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  F    49_A      F    49_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    66_A      E    66_A
#   possible swapping detected:  D    69_A      D    69_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  D    78_A      D    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    15_A      K    15_A     0.811     0    0.467   1.275     8.447   79.881   53.175
LGA    L    16_A      L    16_A     1.116     0    0.021   0.081     1.300   85.952   83.690
LGA    I    17_A      I    17_A     0.613     0    0.021   0.665     2.649   95.238   87.560
LGA    I    18_A      I    18_A     0.135     0    0.031   0.057     0.394  100.000  100.000
LGA    K    19_A      K    19_A     0.226     0    0.038   0.204     1.410  100.000   95.820
LGA    A    20_A      A    20_A     0.210     0    0.011   0.015     0.337  100.000  100.000
LGA    Q    21_A      Q    21_A     0.251     0    0.026   0.066     0.449  100.000  100.000
LGA    L    22_A      L    22_A     0.487     0    0.056   0.073     0.822   95.238   92.857
LGA    G    23_A      G    23_A     0.717     0    0.026   0.026     0.717   90.476   90.476
LGA    E    24_A      E    24_A     0.668     0    0.041   0.809     4.260   90.476   76.138
LGA    D    25_A      D    25_A     0.458     0    0.036   0.877     3.829  100.000   80.476
LGA    I    26_A      I    26_A     0.496     0    0.027   0.072     0.762   95.238   96.429
LGA    R    27_A      R    27_A     0.823     0    0.036   0.596     3.023   90.476   79.654
LGA    R    28_A      R    28_A     0.703     0    0.048   1.320     6.472   90.476   69.221
LGA    I    29_A      I    29_A     0.696     0    0.062   0.449     1.140   92.857   90.536
LGA    P    30_A      P    30_A     0.660     0    0.028   0.089     1.035   90.476   89.184
LGA    I    31_A      I    31_A     0.278     0    0.058   0.551     1.145  100.000   96.488
LGA    H    32_A      H    32_A     0.747     0    0.098   0.237     1.234   88.214   86.857
LGA    N    33_A      N    33_A     0.730     0    0.069   0.769     3.283   92.857   79.345
LGA    E    34_A      E    34_A     0.716     0    0.053   0.321     2.273   90.476   85.608
LGA    D    35_A      D    35_A     0.809     0    0.083   1.210     3.798   88.214   74.048
LGA    I    36_A      I    36_A     0.361     0    0.033   0.128     0.826  100.000   96.429
LGA    T    37_A      T    37_A     0.206     0    0.020   0.069     0.219  100.000  100.000
LGA    Y    38_A      Y    38_A     0.234     0    0.010   0.101     0.349  100.000  100.000
LGA    D    39_A      D    39_A     0.169     0    0.018   0.077     0.585  100.000   98.810
LGA    E    40_A      E    40_A     0.188     0    0.024   0.047     0.199  100.000  100.000
LGA    L    41_A      L    41_A     0.189     0    0.022   0.047     0.365  100.000  100.000
LGA    V    42_A      V    42_A     0.227     0    0.014   0.034     0.274  100.000  100.000
LGA    L    43_A      L    43_A     0.226     0    0.020   0.040     0.387  100.000  100.000
LGA    M    44_A      M    44_A     0.179     0    0.045   0.713     1.998  100.000   89.821
LGA    M    45_A      M    45_A     0.119     0    0.049   0.067     0.266  100.000  100.000
LGA    Q    46_A      Q    46_A     0.187     0    0.032   0.169     0.650  100.000   98.942
LGA    R    47_A      R    47_A     0.177     0    0.033   1.272     5.301  100.000   79.827
LGA    V    48_A      V    48_A     0.190     0    0.074   1.232     2.550  100.000   87.483
LGA    F    49_A      F    49_A     0.156     0    0.037   0.078     0.411  100.000  100.000
LGA    R    50_A      R    50_A     0.123     0    0.552   1.342     5.794   86.905   76.320
LGA    G    51_A      G    51_A     1.406     0    0.141   0.141     1.710   77.143   77.143
LGA    K    52_A      K    52_A     0.627     0    0.080   0.838     1.868   85.952   86.561
LGA    L    53_A      L    53_A     2.204     0    0.219   1.434     3.791   59.524   58.512
LGA    L    54_A      L    54_A     2.673     0    0.076   0.138     3.756   62.857   58.274
LGA    S    55_A      S    55_A     2.581     0    0.049   0.086     2.967   65.000   62.381
LGA    N    56_A      N    56_A     0.847     0    0.039   0.569     2.343   90.595   86.190
LGA    D    57_A      D    57_A     0.513     0    0.009   0.074     1.050   88.214   89.345
LGA    E    58_A      E    58_A     1.072     0    0.043   0.527     2.885   88.214   77.989
LGA    V    59_A      V    59_A     0.937     0    0.018   0.023     1.128   85.952   87.891
LGA    T    60_A      T    60_A     0.696     0    0.045   0.173     0.799   90.476   90.476
LGA    I    61_A      I    61_A     0.343     0    0.011   0.042     0.630  100.000   96.429
LGA    K    62_A      K    62_A     0.246     0    0.033   0.402     1.788  100.000   95.926
LGA    Y    63_A      Y    63_A     0.304     0    0.029   0.130     0.631  100.000   98.413
LGA    K    64_A      K    64_A     0.248     0    0.034   0.765     4.260  100.000   78.942
LGA    A    65_A      A    65_A     0.330     0    0.015   0.018     0.449  100.000  100.000
LGA    E    66_A      E    66_A     0.970     0    0.638   0.800     3.177   78.095   77.143
LGA    R    67_A      R    67_A     1.517     0    0.234   1.417    11.126   83.810   43.203
LGA    G    68_A      G    68_A     0.958     0    0.100   0.100     1.122   88.214   88.214
LGA    D    69_A      D    69_A     0.797     0    0.019   1.000     3.070   95.238   82.262
LGA    L    70_A      L    70_A     0.172     0    0.081   0.124     0.879   97.619   96.429
LGA    I    71_A      I    71_A     0.278     0    0.015   0.631     1.930  100.000   96.607
LGA    T    72_A      T    72_A     0.201     0    0.016   0.039     0.364  100.000  100.000
LGA    I    73_A      I    73_A     0.510     0    0.072   0.075     0.606   92.857   91.667
LGA    F    74_A      F    74_A     0.576     0    0.026   1.317     5.948   95.238   67.879
LGA    D    75_A      D    75_A     0.509     0    0.025   0.080     0.644   92.857   94.048
LGA    S    76_A      S    76_A     0.482     0    0.036   0.035     0.558   97.619   96.825
LGA    S    77_A      S    77_A     0.843     0    0.026   0.561     1.221   90.476   88.968
LGA    D    78_A      D    78_A     0.543     0    0.016   0.091     0.678   95.238   92.857
LGA    L    79_A      L    79_A     0.340     0    0.017   0.065     0.461  100.000  100.000
LGA    S    80_A      S    80_A     0.524     0    0.019   0.667     2.659   92.857   86.508
LGA    F    81_A      F    81_A     0.618     0    0.017   0.038     1.058   95.238   90.563
LGA    A    82_A      A    82_A     0.260     0    0.023   0.023     0.361  100.000  100.000
LGA    I    83_A      I    83_A     0.369     0    0.042   0.125     0.745   97.619   96.429
LGA    Q    84_A      Q    84_A     0.548     0    0.090   0.909     5.180   95.238   72.646
LGA    C    85_A      C    85_A     0.286     0    0.121   0.129     1.167   92.976   95.317
LGA    S    86_A      S    86_A     0.404     0    0.612   0.728     4.104   75.476   68.333
LGA    R    87_A      R    87_A     4.110     0    0.490   1.126     8.811   29.524   40.736
LGA    I    88_A      I    88_A     8.527     0    0.107   0.601    10.941    7.143    4.107
LGA    L    89_A      L    89_A    12.974     0    0.054   0.201    19.087    0.000    0.000
LGA    K    90_A      K    90_A    15.115     0    0.045   0.492    17.461    0.000    1.905
LGA    L    91_A      L    91_A    22.275     0    0.016   0.086    25.455    0.000    0.000
LGA    T    92_A      T    92_A    26.492     0    0.056   1.105    29.913    0.000    0.000
LGA    L    93_A      L    93_A    33.976     0    0.051   0.899    35.553    0.000    0.000
LGA    F    94_A      F    94_A    39.224     0    0.057   0.060    42.820    0.000    0.000
LGA    V    95_A      V    95_A    46.346     0    0.027   0.045    50.056    0.000    0.000
LGA    N    96_A      N    96_A    51.809     0    0.035   0.107    56.120    0.000    0.000
LGA    G    97_A      G    97_A    46.936     0    0.053   0.053    48.267    0.000    0.000
LGA    Q    98_A      Q    98_A    43.632     0    0.066   1.060    47.941    0.000    0.000
LGA    P    99_A      P    99_A    36.908     0    0.668   0.578    38.904    0.000    0.000
LGA    R   100_A      R   100_A    40.177     0    0.375   1.293    42.879    0.000    0.000
LGA    P   101_A      P   101_A    42.576     0    0.680   0.587    45.058    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     706    706  100.00                87
SUMMARY(RMSD_GDC):    12.380         12.416                 12.435           77.365   73.015

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   87    4.0     73    0.90    81.322    80.975     7.276

LGA_LOCAL      RMSD:   0.903  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.443  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:  12.380  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.091554 * X  +   0.990188 * Y  +  -0.105572 * Z  + -13.618537
  Y_new =   0.723386 * X  +  -0.138992 * Y  +  -0.676309 * Z  +  12.390587
  Z_new =  -0.684347 * X  +  -0.014451 * Y  +  -0.729014 * Z  +   3.380169 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.444903  0.753707 -3.121773   [DEG:   82.7868   43.1842 -178.8644 ]
ZXZ: -0.154851  2.387676 -1.591909   [DEG:   -8.8723  136.8038  -91.2097 ]
 
# END of job
