
#######################################################
#                                                     #
#                        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   83 (  654),  selected   81 , name one
# Molecule2: number of CA atoms   81 (  640),  selected   81 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       5_B - 83_B        0.85     1.33
  LCS_AVERAGE:     96.14

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   81
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     3_B     G     3_B      4   81   81      3    4    6   16   32   51   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M     4_B     M     4_B     63   81   81      3    3    5    7   21   43   67   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E     5_B     E     5_B     79   81   81     25   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K     6_B     K     6_B     79   81   81     21   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     7_B     V     7_B     79   81   81     33   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T     8_B     T     8_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     9_B     V     9_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    10_B     V    10_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    11_B     L    11_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    12_B     Y    12_B     79   81   81     23   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    13_B     V    13_B     79   81   81     23   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    14_B     N    14_B     79   81   81     14   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    15_B     G    15_B     79   81   81     14   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    16_B     D    16_B     79   81   81     31   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    17_B     E    17_B     79   81   81     31   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    18_B     V    18_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    19_B     A    19_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    20_B     L    20_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    21_B     V    21_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     H    22_B     H    22_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    23_B     A    23_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    24_B     F    24_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M    25_B     M    25_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    26_B     T    26_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    27_B     T    27_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    28_B     A    28_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    29_B     S    29_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    30_B     L    30_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    31_B     L    31_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    32_B     A    32_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    33_B     K    33_B     79   81   81     19   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    34_B     E    34_B     79   81   81     27   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    35_B     G    35_B     79   81   81     21   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    36_B     K    36_B     79   81   81     14   63   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    37_B     L    37_B     79   81   81     14   61   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    38_B     V    38_B     79   81   81     13   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    39_B     E    39_B     79   81   81     14   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    40_B     K    40_B     79   81   81     27   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    41_B     L    41_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    42_B     I    42_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    43_B     L    43_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    44_B     T    44_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    45_B     S    45_B     79   81   81     36   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    46_B     N    46_B     79   81   81     14   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    47_B     F    47_B     79   81   81     33   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    48_B     T    48_B     79   81   81     36   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    49_B     E    49_B     79   81   81     26   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    50_B     R    50_B     79   81   81     36   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    51_B     T    51_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    52_B     V    52_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    53_B     R    53_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    54_B     R    54_B     79   81   81     36   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    55_B     A    55_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    56_B     F    56_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    57_B     D    57_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    58_B     L    58_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    59_B     V    59_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    60_B     R    60_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    61_B     E    61_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    62_B     L    62_B     79   81   81     18   62   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    63_B     L    63_B     79   81   81     14   58   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     P    64_B     P    64_B     79   81   81     17   63   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    65_B     A    65_B     79   81   81     17   58   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    66_B     K    66_B     79   81   81     17   58   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    67_B     A    67_B     79   81   81      9   58   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    68_B     E    68_B     79   81   81      9   44   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    69_B     I    69_B     79   81   81     20   63   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    70_B     I    70_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    71_B     D    71_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    72_B     A    72_B     79   81   81     27   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    73_B     L    73_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    74_B     R    74_B     79   81   81     37   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    75_B     E    75_B     79   81   81     32   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    76_B     E    76_B     79   81   81     24   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    77_B     A    77_B     79   81   81     24   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    78_B     E    78_B     79   81   81     10   64   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    79_B     K    79_B     79   81   81     10   58   75   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    80_B     Y    80_B     79   81   81      5   44   69   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    81_B     F    81_B     79   81   81      5   44   69   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    82_B     A    82_B     79   81   81      5   38   69   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    83_B     E    83_B     79   81   81      3   34   57   78   79   79   80   81   81   81   81   81   81   81   81   81   81   81   81   81 
LCS_AVERAGE  LCS_A:  98.71  (  96.14  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     37     64     75     78     79     79     80     81     81     81     81     81     81     81     81     81     81     81     81     81 
GDT PERCENT_AT  45.68  79.01  92.59  96.30  97.53  97.53  98.77 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.58   0.72   0.81   0.85   0.85   1.10   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28
GDT RMS_ALL_AT   1.36   1.31   1.34   1.33   1.33   1.33   1.29   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28

# Checking swapping
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  E    17_B      E    17_B
#   possible swapping detected:  E    39_B      E    39_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  D    71_B      D    71_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  Y    80_B      Y    80_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B     5.781     0    0.466   0.466     6.724   29.048   29.048
LGA    M     4_B      M     4_B     5.951     0    0.037   1.004    15.232   29.762   15.476
LGA    E     5_B      E     5_B     0.902     0    0.339   1.123     8.520   79.881   50.582
LGA    K     6_B      K     6_B     0.653     0    0.027   0.439     2.304   95.238   85.767
LGA    V     7_B      V     7_B     0.399     0    0.020   0.083     0.795   92.857   94.558
LGA    T     8_B      T     8_B     0.366     0    0.020   0.051     0.544   95.238   97.279
LGA    V     9_B      V     9_B     0.735     0    0.009   0.122     1.251   90.476   89.184
LGA    V    10_B      V    10_B     0.576     0    0.075   0.079     0.804   90.476   91.837
LGA    L    11_B      L    11_B     0.148     0    0.051   1.025     3.422  100.000   86.964
LGA    Y    12_B      Y    12_B     0.754     0    0.065   1.355     9.236   90.476   53.810
LGA    V    13_B      V    13_B     0.714     0    0.041   0.225     1.193   90.476   89.184
LGA    N    14_B      N    14_B     0.911     0    0.128   0.262     2.216   88.214   80.595
LGA    G    15_B      G    15_B     0.963     0    0.109   0.109     1.297   88.214   88.214
LGA    D    16_B      D    16_B     0.417     0    0.062   0.321     0.785  100.000   97.619
LGA    E    17_B      E    17_B     0.516     0    0.031   0.866     3.989   95.238   73.915
LGA    V    18_B      V    18_B     0.506     0    0.058   0.887     2.384   92.857   85.850
LGA    A    19_B      A    19_B     0.147     0    0.101   0.107     0.446  100.000  100.000
LGA    L    20_B      L    20_B     0.358     0    0.018   0.198     0.787  100.000   98.810
LGA    V    21_B      V    21_B     0.361     0    0.052   1.080     2.678  100.000   88.844
LGA    H    22_B      H    22_B     0.180     0    0.023   0.450     1.062  100.000   95.286
LGA    A    23_B      A    23_B     0.349     0    0.013   0.014     0.492  100.000  100.000
LGA    F    24_B      F    24_B     0.536     0    0.016   0.199     1.021   90.476   91.385
LGA    M    25_B      M    25_B     0.459     0    0.004   0.482     1.523  100.000   95.417
LGA    T    26_B      T    26_B     0.233     0    0.025   0.185     0.601  100.000   98.639
LGA    T    27_B      T    27_B     0.507     0    0.005   0.131     1.121   97.619   93.265
LGA    A    28_B      A    28_B     0.616     0    0.025   0.024     0.734   92.857   92.381
LGA    S    29_B      S    29_B     0.347     0    0.016   0.057     0.412  100.000  100.000
LGA    L    30_B      L    30_B     0.262     0    0.008   1.221     3.068  100.000   89.345
LGA    L    31_B      L    31_B     0.463     0    0.078   1.112     2.762   95.238   87.679
LGA    A    32_B      A    32_B     0.396     0    0.014   0.014     0.537   97.619   98.095
LGA    K    33_B      K    33_B     0.853     0    0.014   0.868     4.291   88.214   75.079
LGA    E    34_B      E    34_B     0.886     0    0.054   0.252     2.232   88.214   84.603
LGA    G    35_B      G    35_B     1.067     0    0.053   0.053     1.067   83.690   83.690
LGA    K    36_B      K    36_B     1.244     0    0.042   0.255     1.555   81.429   80.476
LGA    L    37_B      L    37_B     1.245     0    0.017   1.332     4.557   85.952   68.750
LGA    V    38_B      V    38_B     0.975     0    0.030   0.037     1.155   88.214   89.184
LGA    E    39_B      E    39_B     1.026     0    0.007   0.603     1.925   88.214   83.492
LGA    K    40_B      K    40_B     0.735     0    0.025   0.216     1.247   90.476   89.471
LGA    L    41_B      L    41_B     0.629     0    0.028   0.915     2.860   90.476   84.107
LGA    I    42_B      I    42_B     0.439     0    0.050   0.077     0.501  100.000   98.810
LGA    L    43_B      L    43_B     0.524     0    0.030   0.853     3.494   97.619   85.655
LGA    T    44_B      T    44_B     0.459     0    0.406   0.922     2.806   88.810   82.245
LGA    S    45_B      S    45_B     0.582     0    0.034   0.201     0.927   90.476   90.476
LGA    N    46_B      N    46_B     0.804     0    0.211   1.101     2.316   83.810   80.714
LGA    F    47_B      F    47_B     0.745     0    0.065   0.359     1.688   92.857   84.892
LGA    T    48_B      T    48_B     0.705     0    0.010   0.228     0.840   90.476   91.837
LGA    E    49_B      E    49_B     0.781     0    0.018   0.814     4.781   90.476   70.794
LGA    R    50_B      R    50_B     0.651     0    0.021   1.070     3.745   90.476   74.026
LGA    T    51_B      T    51_B     0.422     0    0.050   0.050     0.580   97.619   98.639
LGA    V    52_B      V    52_B     0.247     0    0.010   0.147     0.649  100.000   98.639
LGA    R    53_B      R    53_B     0.380     0    0.011   1.292     6.657   95.238   71.515
LGA    R    54_B      R    54_B     0.765     0    0.000   1.610     6.279   90.476   62.208
LGA    A    55_B      A    55_B     0.413     0    0.027   0.030     0.629   95.238   96.190
LGA    F    56_B      F    56_B     0.435     0    0.041   0.114     0.477  100.000  100.000
LGA    D    57_B      D    57_B     0.548     0    0.024   0.283     1.053   92.857   89.405
LGA    L    58_B      L    58_B     0.308     0    0.058   1.151     2.512  100.000   89.048
LGA    V    59_B      V    59_B     0.244     0    0.023   0.241     0.717  100.000   97.279
LGA    R    60_B      R    60_B     0.564     0    0.005   1.469     6.548   92.857   70.606
LGA    E    61_B      E    61_B     0.788     0    0.015   0.963     2.881   88.214   77.196
LGA    L    62_B      L    62_B     1.326     0    0.027   0.112     1.866   79.286   76.071
LGA    L    63_B      L    63_B     1.465     0    0.060   1.301     3.062   81.429   76.488
LGA    P    64_B      P    64_B     1.220     0    0.013   0.255     1.781   81.429   80.204
LGA    A    65_B      A    65_B     1.588     0    0.022   0.021     1.658   72.857   72.857
LGA    K    66_B      K    66_B     1.379     0    0.075   0.868     3.602   81.429   75.397
LGA    A    67_B      A    67_B     1.662     0    0.008   0.006     1.946   75.000   74.571
LGA    E    68_B      E    68_B     1.859     0    0.010   1.256     7.706   72.857   47.249
LGA    I    69_B      I    69_B     1.212     0    0.066   0.169     1.468   81.429   84.821
LGA    I    70_B      I    70_B     0.835     0    0.017   0.669     1.756   88.214   87.143
LGA    D    71_B      D    71_B     0.754     0    0.020   0.391     1.346   90.476   85.952
LGA    A    72_B      A    72_B     0.983     0    0.000   0.008     1.210   90.476   88.667
LGA    L    73_B      L    73_B     0.622     0    0.052   0.065     0.711   90.476   92.857
LGA    R    74_B      R    74_B     0.606     0    0.034   0.352     2.785   90.476   81.905
LGA    E    75_B      E    75_B     0.681     0    0.093   0.579     2.617   88.214   80.847
LGA    E    76_B      E    76_B     0.947     0    0.051   0.300     1.770   88.214   83.492
LGA    A    77_B      A    77_B     0.829     0    0.013   0.013     0.883   90.476   90.476
LGA    E    78_B      E    78_B     0.907     0    0.021   0.705     3.125   85.952   72.857
LGA    K    79_B      K    79_B     1.434     0    0.005   0.659     1.935   77.143   79.630
LGA    Y    80_B      Y    80_B     1.942     0    0.037   0.091     2.385   70.833   66.786
LGA    F    81_B      F    81_B     1.775     0    0.028   0.211     2.004   72.857   76.883
LGA    A    82_B      A    82_B     1.865     0    0.045   0.049     2.246   68.810   69.619
LGA    E    83_B      E    83_B     2.401     0    0.409   1.248     6.578   52.738   39.894

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       81     324    324  100.00     640    640  100.00                81
SUMMARY(RMSD_GDC):     1.285          1.269                  2.098           88.342   82.379

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     81    1.28    93.827    97.146     5.849

LGA_LOCAL      RMSD:   1.285  Number of atoms:   81  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.285  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   1.285  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.355600 * X  +  -0.892889 * Y  +  -0.276220 * Z  +  26.607895
  Y_new =   0.275762 * X  +  -0.182149 * Y  +   0.943810 * Z  +   6.593386
  Z_new =  -0.893031 * X  +  -0.411790 * Y  +   0.181453 * Z  +  -7.050394 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.659612  1.104036 -1.155749   [DEG:   37.7930   63.2566  -66.2196 ]
ZXZ: -2.856879  1.388333 -2.002855   [DEG: -163.6871   79.5456 -114.7551 ]
 
# END of job
