
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        2.77     2.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       9_A - 88_A        1.78     2.85
  LCS_AVERAGE:     94.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      11_A - 85_A        0.92     2.99
  LONGEST_CONTINUOUS_SEGMENT:    75      12_A - 86_A        0.88     3.01
  LCS_AVERAGE:     83.07

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      3    4   83      0    3    3    3    4    4    6    9   16   19   22   24   73   81   82   82   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      3    4   83      0    3    3    3    4    4    4    7   12   19   22   24   27   34   58   81   83   83   83   83 
LCS_GDT     P     8_B     P     8_A      3   79   83      3    3    3    3    5    6    8    9   16   19   50   65   80   81   82   82   83   83   83   83 
LCS_GDT     K     9_B     K     9_A      3   80   83      3    3    4    4    4    5   30   55   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     A    10_B     A    10_A      3   80   83      3    4    4    5   14   32   44   55   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     75   80   83      1    4    4   16   36   58   75   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     75   80   83     47   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     75   80   83     44   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     75   80   83     57   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     75   80   83     57   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     75   80   83     47   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     75   80   83     35   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     75   80   83     52   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     75   80   83     35   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     75   80   83     56   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     75   80   83     48   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     75   80   83     60   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     75   80   83     58   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     75   80   83     55   72   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     75   80   83     11   68   73   73   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     75   80   83      3   18   29   68   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     N    86_B     N    86_A     75   80   83      3    5   20   34   53   70   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      4   80   83      3    4    4    5   14   38   62   77   77   80   80   80   80   81   82   82   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      4   80   83      3   19   59   71   75   75   76   77   79   80   80   80   80   81   82   82   83   83   83   83 
LCS_AVERAGE  LCS_A:  92.41  (  83.07   94.16  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     60     72     73     73     75     75     76     77     79     80     80     80     80     81     82     82     83     83     83     83 
GDT PERCENT_AT  72.29  86.75  87.95  87.95  90.36  90.36  91.57  92.77  95.18  96.39  96.39  96.39  96.39  97.59  98.80  98.80 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.41   0.44   0.44   0.73   0.73   0.95   1.16   1.62   1.78   1.78   1.78   1.78   2.10   2.43   2.43   2.77   2.77   2.77   2.77
GDT RMS_ALL_AT   3.06   3.06   3.06   3.06   3.03   3.03   3.00   2.95   2.86   2.85   2.85   2.85   2.85   2.81   2.78   2.78   2.77   2.77   2.77   2.77

# Checking swapping
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  Y    79_B      Y    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    12.395     0    0.023   1.080    13.499    0.000    0.952
LGA    K     7_B      K     7_A    13.733     0    0.626   1.363    14.372    0.000    0.000
LGA    P     8_B      P     8_A    10.702     0    0.606   0.614    12.664    1.905    1.088
LGA    K     9_B      K     9_A     7.516     0    0.616   1.058    11.249    5.952    3.757
LGA    A    10_B      A    10_A     7.732     0    0.653   0.607     8.436    7.262    7.238
LGA    K    11_B      K    11_A     5.759     0    0.682   0.822    13.007   27.024   13.280
LGA    R    12_B      R    12_A     1.162     0    0.597   0.873    12.200   77.262   36.190
LGA    T    13_B      T    13_A     0.871     0    0.057   0.082     2.054   92.857   83.129
LGA    W    14_B      W    14_A     0.621     0    0.036   0.124     0.864   90.476   92.517
LGA    S    15_B      S    15_A     0.613     0    0.028   0.024     0.629   92.857   92.063
LGA    K    16_B      K    16_A     0.591     0    0.017   0.893     3.756   95.238   82.646
LGA    E    17_B      E    17_A     0.472     0    0.021   0.341     1.443   97.619   92.646
LGA    E    18_B      E    18_A     0.230     0    0.019   0.123     0.962  100.000   97.884
LGA    E    19_B      E    19_A     0.101     0    0.006   0.208     0.684  100.000   98.942
LGA    E    20_B      E    20_A     0.173     0    0.025   0.094     0.484  100.000  100.000
LGA    A    21_B      A    21_A     0.168     0    0.015   0.017     0.183  100.000  100.000
LGA    L    22_B      L    22_A     0.176     0    0.038   0.052     0.529  100.000   97.619
LGA    V    23_B      V    23_A     0.146     0    0.026   1.339     2.520  100.000   88.844
LGA    E    24_B      E    24_A     0.130     0    0.034   0.271     0.822  100.000   98.942
LGA    G    25_B      G    25_A     0.277     0    0.025   0.025     0.277  100.000  100.000
LGA    L    26_B      L    26_A     0.138     0    0.028   1.261     2.691  100.000   90.238
LGA    K    27_B      K    27_A     0.263     0    0.083   0.897     2.560  100.000   91.058
LGA    E    28_B      E    28_A     0.506     0    0.030   0.894     2.730   97.619   82.275
LGA    V    29_B      V    29_A     0.303     0    0.046   0.077     0.467  100.000  100.000
LGA    G    30_B      G    30_A     0.178     0    0.037   0.037     0.243  100.000  100.000
LGA    P    31_B      P    31_A     0.256     0    0.037   0.064     0.416  100.000  100.000
LGA    S    32_B      S    32_A     0.292     0    0.029   0.063     0.327  100.000  100.000
LGA    W    33_B      W    33_A     0.199     0    0.038   0.092     0.300  100.000  100.000
LGA    S    34_B      S    34_A     0.258     0    0.015   0.635     2.431  100.000   94.127
LGA    K    35_B      K    35_A     0.296     0    0.016   1.240     5.765  100.000   73.598
LGA    I    36_B      I    36_A     0.355     0    0.025   0.053     0.402  100.000  100.000
LGA    L    37_B      L    37_A     0.526     0    0.017   1.253     3.013   92.857   83.393
LGA    D    38_B      D    38_A     0.553     0    0.025   0.056     0.581   92.857   91.667
LGA    L    39_B      L    39_A     0.398     0    0.017   1.235     2.662  100.000   90.238
LGA    Y    40_B      Y    40_A     0.447     0    0.022   0.142     0.803  100.000   97.619
LGA    G    41_B      G    41_A     0.425     0    0.022   0.022     0.455  100.000  100.000
LGA    P    42_B      P    42_A     0.473     0    0.031   0.124     0.604  100.000   95.918
LGA    G    43_B      G    43_A     0.491     0    0.030   0.030     0.585   97.619   97.619
LGA    G    44_B      G    44_A     0.412     0    0.016   0.016     0.458  100.000  100.000
LGA    K    45_B      K    45_A     0.568     0    0.060   0.593     2.541   90.476   82.116
LGA    I    46_B      I    46_A     0.429     0    0.027   0.067     0.486  100.000  100.000
LGA    T    47_B      T    47_A     0.427     0    0.034   0.111     0.600   97.619   98.639
LGA    E    48_B      E    48_A     0.319     0    0.009   0.114     0.447  100.000  100.000
LGA    N    49_B      N    49_A     0.396     0    0.017   0.277     0.792   97.619   96.429
LGA    L    50_B      L    50_A     0.430     0    0.014   1.253     2.702  100.000   90.238
LGA    K    51_B      K    51_A     0.327     0    0.033   0.628     2.166  100.000   96.085
LGA    N    52_B      N    52_A     0.356     0    0.054   1.115     3.098  100.000   89.048
LGA    R    53_B      R    53_A     0.285     0    0.056   0.181     0.657   97.619   95.671
LGA    T    54_B      T    54_A     0.715     0    0.037   0.055     0.864   90.476   90.476
LGA    Q    55_B      Q    55_A     0.766     0    0.020   0.140     0.943   90.476   90.476
LGA    V    56_B      V    56_A     0.821     0    0.035   1.348     3.563   90.476   79.932
LGA    Q    57_B      Q    57_A     0.811     0    0.028   0.168     0.969   90.476   90.476
LGA    L    58_B      L    58_A     0.560     0    0.016   1.242     2.950   92.857   84.286
LGA    K    59_B      K    59_A     0.437     0    0.044   0.718     4.151   95.238   81.005
LGA    D    60_B      D    60_A     0.654     0    0.051   0.148     0.861   90.476   91.667
LGA    K    61_B      K    61_A     0.564     0    0.022   0.570     1.535   90.476   87.513
LGA    A    62_B      A    62_A     0.411     0    0.008   0.010     0.488  100.000  100.000
LGA    R    63_B      R    63_A     0.535     0    0.009   0.432     1.642   92.857   88.961
LGA    N    64_B      N    64_A     0.772     0    0.033   0.158     1.290   90.476   88.214
LGA    W    65_B      W    65_A     0.439     0    0.023   0.056     0.556   97.619   99.320
LGA    K    66_B      K    66_A     0.530     0    0.024   0.104     1.595   92.857   87.566
LGA    L    67_B      L    67_A     0.712     0    0.012   1.259     3.609   90.476   83.452
LGA    Q    68_B      Q    68_A     0.603     0    0.042   0.954     4.867   95.238   75.608
LGA    Y    69_B      Y    69_A     0.286     0    0.008   0.174     0.808  100.000   96.032
LGA    L    70_B      L    70_A     0.667     0    0.010   1.246     3.280   90.476   83.214
LGA    K    71_B      K    71_A     0.780     0    0.005   1.404     6.770   90.476   68.201
LGA    S    72_B      S    72_A     0.329     0    0.085   0.616     2.239   95.238   90.952
LGA    G    73_B      G    73_A     0.854     0    0.042   0.042     1.045   88.214   88.214
LGA    K    74_B      K    74_A     1.115     0    0.022   0.996     5.118   81.429   69.312
LGA    P    75_B      P    75_A     1.295     0    0.009   0.057     1.483   83.690   82.721
LGA    L    76_B      L    76_A     0.901     0    0.056   1.302     2.915   90.595   80.893
LGA    P    77_B      P    77_A     0.506     0    0.034   0.059     0.779   92.857   91.837
LGA    D    78_B      D    78_A     0.344     0    0.022   0.317     1.694  100.000   94.226
LGA    Y    79_B      Y    79_A     0.389     0    0.061   0.104     0.469  100.000  100.000
LGA    L    80_B      L    80_A     0.480     0    0.056   1.254     2.969  100.000   89.048
LGA    I    81_B      I    81_A     0.484     0    0.032   0.649     2.323   97.619   90.833
LGA    K    82_B      K    82_A     0.639     0    0.072   0.690     2.366   92.857   84.815
LGA    V    83_B      V    83_A     0.382     0    0.047   1.322     2.536   97.619   87.483
LGA    T    84_B      T    84_A     1.193     0    0.152   1.091     4.648   81.548   67.483
LGA    G    85_B      G    85_A     3.273     0    0.274   0.274     5.681   43.333   43.333
LGA    N    86_B      N    86_A     5.169     0    0.147   1.210     8.839   36.190   26.548
LGA    L    87_B      L    87_A     6.907     0    0.052   1.173    13.434   17.262    8.810
LGA    E    88_B      E    88_A     3.178     0    0.023   1.279     9.467   59.167   34.815

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     2.772          2.721                  3.331           86.528   80.981

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     77    1.16    91.566    92.781     6.120

LGA_LOCAL      RMSD:   1.158  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.954  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.772  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.398311 * X  +  -0.874051 * Y  +   0.278179 * Z  +  14.690115
  Y_new =  -0.604243 * X  +  -0.478202 * Y  +  -0.637349 * Z  +   5.253583
  Z_new =   0.690101 * X  +   0.085775 * Y  +  -0.718612 * Z  +  15.446038 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.987988 -0.761629  3.022792   [DEG:  -56.6075  -43.6381  173.1932 ]
ZXZ:  0.411539  2.372601  1.447137   [DEG:   23.5795  135.9400   82.9148 ]
 
# END of job
