
#######################################################
#                                                     #
#                        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  103 (  821),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  633),  selected   79 , 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:    79      23_A - 101_A       1.12     1.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      23_A - 101_A       1.12     1.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78      23_A - 100_A       0.74     1.14
  LCS_AVERAGE:     97.58

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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     G    23_A     G    23_A     78   79   79      3   13   72   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    24_A     G    24_A     78   79   79     28   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    25_A     S    25_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    26_A     M    26_A     78   79   79     61   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    27_A     K    27_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    28_A     I    28_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    29_A     Y    29_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    30_A     V    30_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    31_A     K    31_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    32_A     L    32_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    33_A     Q    33_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    34_A     D    34_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    35_A     G    35_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    36_A     T    36_A     78   79   79     50   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    37_A     V    37_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    38_A     I    38_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    39_A     E    39_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    40_A     L    40_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    41_A     E    41_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    42_A     V    42_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    43_A     E    43_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    44_A     P    44_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    45_A     S    45_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    46_A     D    46_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    47_A     T    47_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    48_A     I    48_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    49_A     L    49_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    51_A     V    51_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    52_A     K    52_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    53_A     E    53_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    54_A     K    54_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    55_A     I    55_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    56_A     Y    56_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    57_A     E    57_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    58_A     K    58_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    59_A     T    59_A     78   79   79     38   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    60_A     G    60_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    61_A     I    61_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    62_A     P    62_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    63_A     P    63_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    65_A     D    65_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    66_A     Q    66_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    67_A     I    67_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    68_A     L    68_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    69_A     I    69_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    70_A     Y    70_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    72_A     G    72_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    73_A     K    73_A     78   79   79     61   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    74_A     V    74_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    75_A     L    75_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    76_A     E    76_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    77_A     D    77_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     S    78_A     S    78_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    79_A     K    79_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     T    80_A     T    80_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    81_A     L    81_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    82_A     A    82_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    83_A     D    83_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    84_A     Y    84_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     N    85_A     N    85_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    86_A     I    86_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    87_A     Q    87_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    88_A     E    88_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     N    89_A     N    89_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    90_A     D    90_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    91_A     V    91_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    92_A     L    92_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    93_A     Y    93_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    94_A     L    94_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    95_A     V    95_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    96_A     R    96_A     78   79   79     65   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    97_A     R    97_A     78   79   79     28   74   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    98_A     L    98_A     78   79   79      4   45   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    99_A     K    99_A     78   79   79     24   72   76   77   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     S   100_A     S   100_A     78   79   79      4    6   16   70   78   78   78   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P   101_A     P   101_A      6   79   79      3    5   10   13   15   21   32   61   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  99.19  (  97.58  100.00  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     65     74     76     77     78     78     78     78     79     79     79     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  82.28  93.67  96.20  97.47  98.73  98.73  98.73  98.73 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.38   0.48   0.54   0.74   0.74   0.74   0.74   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12
GDT RMS_ALL_AT   1.21   1.20   1.17   1.17   1.14   1.14   1.14   1.14   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.12

# Checking swapping
#   possible swapping detected:  Y    29_A      Y    29_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    56_A      Y    56_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    70_A      Y    70_A
#   possible swapping detected:  D    83_A      D    83_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  Y    93_A      Y    93_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    23_A      G    23_A     2.361     0    0.270   0.270     4.005   54.048   54.048
LGA    G    24_A      G    24_A     1.053     0    0.127   0.127     1.446   85.952   85.952
LGA    S    25_A      S    25_A     0.400     0    0.014   0.704     1.614  100.000   92.381
LGA    M    26_A      M    26_A     0.582     0    0.040   0.121     0.887   90.476   90.476
LGA    K    27_A      K    27_A     0.261     0    0.023   0.691     2.596  100.000   90.106
LGA    I    28_A      I    28_A     0.164     0    0.048   0.051     0.326  100.000  100.000
LGA    Y    29_A      Y    29_A     0.208     0    0.078   0.221     0.951  100.000   98.413
LGA    V    30_A      V    30_A     0.368     0    0.019   0.055     0.503  100.000   98.639
LGA    K    31_A      K    31_A     0.358     0    0.060   0.438     1.330  100.000   96.878
LGA    L    32_A      L    32_A     0.561     0    0.018   0.994     2.312   90.476   82.917
LGA    Q    33_A      Q    33_A     0.616     0    0.028   1.262     5.049   90.476   67.143
LGA    D    34_A      D    34_A     0.643     0    0.037   0.854     3.631   90.476   76.310
LGA    G    35_A      G    35_A     0.619     0    0.037   0.037     0.726   90.476   90.476
LGA    T    36_A      T    36_A     1.045     0    0.082   0.950     2.950   88.214   81.837
LGA    V    37_A      V    37_A     0.375     0    0.009   0.094     0.536   95.238   95.918
LGA    I    38_A      I    38_A     0.291     0    0.046   0.047     0.358  100.000  100.000
LGA    E    39_A      E    39_A     0.320     0    0.016   0.533     1.980  100.000   93.810
LGA    L    40_A      L    40_A     0.161     0    0.041   1.353     2.855  100.000   85.893
LGA    E    41_A      E    41_A     0.344     0    0.018   0.768     2.634  100.000   89.101
LGA    V    42_A      V    42_A     0.385     0    0.088   0.128     0.978   95.238   95.918
LGA    E    43_A      E    43_A     0.433     0    0.064   1.058     3.335   97.619   81.587
LGA    P    44_A      P    44_A     0.594     0    0.027   0.311     0.759   90.476   91.837
LGA    S    45_A      S    45_A     0.517     0    0.089   0.342     1.658   92.857   89.127
LGA    D    46_A      D    46_A     0.291     0    0.012   0.198     0.930  100.000   98.810
LGA    T    47_A      T    47_A     0.220     0    0.040   0.088     0.587  100.000   98.639
LGA    I    48_A      I    48_A     0.189     0    0.018   0.055     0.252  100.000  100.000
LGA    L    49_A      L    49_A     0.509     0    0.066   0.128     0.828   97.619   94.048
LGA    E    50_A      E    50_A     0.440     0    0.030   0.438     1.797  100.000   93.810
LGA    V    51_A      V    51_A     0.384     0    0.017   0.040     0.469  100.000  100.000
LGA    K    52_A      K    52_A     0.333     0    0.021   0.151     0.703  100.000   96.825
LGA    E    53_A      E    53_A     0.267     0    0.073   0.415     1.476  100.000   95.820
LGA    K    54_A      K    54_A     0.427     0    0.024   0.291     0.963  100.000   96.825
LGA    I    55_A      I    55_A     0.303     0    0.035   0.052     0.656  100.000   98.810
LGA    Y    56_A      Y    56_A     0.167     0    0.023   0.104     0.457  100.000  100.000
LGA    E    57_A      E    57_A     0.363     0    0.020   0.660     2.274  100.000   88.095
LGA    K    58_A      K    58_A     0.351     0    0.055   0.579     3.000  100.000   88.307
LGA    T    59_A      T    59_A     0.675     0    0.037   0.048     0.879   90.476   90.476
LGA    G    60_A      G    60_A     0.281     0    0.038   0.038     0.414  100.000  100.000
LGA    I    61_A      I    61_A     0.306     0    0.019   0.040     0.583  100.000   97.619
LGA    P    62_A      P    62_A     0.235     0    0.015   0.315     1.151  100.000   97.347
LGA    P    63_A      P    63_A     0.337     0    0.018   0.028     0.510   97.619   98.639
LGA    E    64_A      E    64_A     0.439     0    0.035   0.352     1.417   97.619   94.762
LGA    D    65_A      D    65_A     0.363     0    0.060   0.102     0.695  100.000   96.429
LGA    Q    66_A      Q    66_A     0.376     0    0.027   0.048     0.490  100.000  100.000
LGA    I    67_A      I    67_A     0.245     0    0.086   0.095     0.581  100.000   98.810
LGA    L    68_A      L    68_A     0.313     0    0.008   0.089     0.556  100.000   98.810
LGA    I    69_A      I    69_A     0.232     0    0.050   0.077     0.667  100.000   96.429
LGA    Y    70_A      Y    70_A     0.197     0    0.035   0.129     0.654  100.000   99.206
LGA    K    71_A      K    71_A     0.190     0    0.046   0.188     0.968  100.000   98.942
LGA    G    72_A      G    72_A     0.467     0    0.080   0.080     0.735   95.238   95.238
LGA    K    73_A      K    73_A     0.629     0    0.038   0.611     1.866   95.238   84.762
LGA    V    74_A      V    74_A     0.300     0    0.017   0.078     0.434  100.000  100.000
LGA    L    75_A      L    75_A     0.364     0    0.025   0.052     0.382  100.000  100.000
LGA    E    76_A      E    76_A     0.277     0    0.010   0.622     1.541  100.000   94.921
LGA    D    77_A      D    77_A     0.395     0    0.038   0.217     0.843   97.619   97.619
LGA    S    78_A      S    78_A     0.480     0    0.038   0.036     0.821   97.619   95.238
LGA    K    79_A      K    79_A     0.221     0    0.026   0.685     2.372  100.000   89.947
LGA    T    80_A      T    80_A     0.150     0    0.012   0.032     0.241  100.000  100.000
LGA    L    81_A      L    81_A     0.288     0    0.014   0.068     0.500   97.619   98.810
LGA    A    82_A      A    82_A     0.527     0    0.022   0.020     0.567   92.857   92.381
LGA    D    83_A      D    83_A     0.538     0    0.014   0.886     3.716   90.476   78.393
LGA    Y    84_A      Y    84_A     0.572     0    0.028   0.082     0.579   90.476   96.032
LGA    N    85_A      N    85_A     0.529     0    0.022   0.672     2.483   95.238   87.381
LGA    I    86_A      I    86_A     0.369     0    0.051   0.095     0.763   97.619   98.810
LGA    Q    87_A      Q    87_A     0.524     0    0.019   0.584     1.833   97.619   87.725
LGA    E    88_A      E    88_A     0.208     0    0.022   0.752     1.937  100.000   91.799
LGA    N    89_A      N    89_A     0.177     0    0.016   0.252     0.733  100.000   98.810
LGA    D    90_A      D    90_A     0.295     0    0.028   0.210     1.124  100.000   95.298
LGA    V    91_A      V    91_A     0.311     0    0.054   0.066     0.419  100.000  100.000
LGA    L    92_A      L    92_A     0.180     0    0.066   0.129     0.480  100.000  100.000
LGA    Y    93_A      Y    93_A     0.057     0    0.035   0.094     0.985  100.000   96.032
LGA    L    94_A      L    94_A     0.312     0    0.031   0.720     1.950  100.000   94.286
LGA    V    95_A      V    95_A     0.302     0    0.021   0.040     0.368  100.000  100.000
LGA    R    96_A      R    96_A     0.276     0    0.060   0.280     2.161   97.619   87.576
LGA    R    97_A      R    97_A     1.032     0    0.080   1.156     5.782   83.690   68.398
LGA    L    98_A      L    98_A     1.708     0    0.055   0.183     4.431   81.548   65.179
LGA    K    99_A      K    99_A     1.438     0    0.037   0.839     6.382   67.500   58.730
LGA    S   100_A      S   100_A     4.297     0    0.032   0.674     6.308   32.500   30.714
LGA    P   101_A      P   101_A     7.715     0    0.214   0.261     8.908    7.024    7.007

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     633    633  100.00                79
SUMMARY(RMSD_GDC):     1.116          1.184                  1.421           94.340   90.346

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   79    4.0     78    0.74    97.468    98.740     9.281

LGA_LOCAL      RMSD:   0.740  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.138  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   1.116  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.846878 * X  +  -0.285333 * Y  +  -0.448757 * Z  +  13.335720
  Y_new =  -0.523417 * X  +   0.298102 * Y  +   0.798229 * Z  +  22.127512
  Z_new =  -0.093985 * X  +   0.910890 * Y  +  -0.401804 * Z  +  14.480634 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.588003  0.094124  1.986234   [DEG: -148.2817    5.3929  113.8028 ]
ZXZ: -2.629438  1.984283 -0.102816   [DEG: -150.6557  113.6910   -5.8909 ]
 
# END of job
