
#######################################################
#                                                     #
#                        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   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  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:    87       1_A - 87_A        1.95     1.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.95     1.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.89     2.02
  LCS_AVERAGE:     95.56

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     G     1_A     G     1_A      4   87   87      3    3    4    5    5    6    6    7    8    9   12   13   27   31   34   71   84   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   87   87      3    3    4    5   15   29   45   81   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   87   87      3    3    4    5    5    6   15   28   79   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   87   87     70   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   87   87     66   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   87   87     52   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   87   87     69   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   87   87     48   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   87   87     52   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   87   87     56   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   87   87     72   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   87   87     66   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   87   87     34   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   87   87     35   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   87   87     68   83   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_AVERAGE  LCS_A:  98.52  (  95.56  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     72     83     84     84     84     84     84     84     85     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  82.76  95.40  96.55  96.55  96.55  96.55  96.55  96.55  97.70  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.36   0.38   0.38   0.38   0.38   0.38   0.38   0.96   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.95   1.95   1.95
GDT RMS_ALL_AT   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.06   2.00   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.95   1.95   1.95

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  Y    78_A      Y    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.159     0    0.072   0.072    17.362    0.000    0.000
LGA    S     2_A      S     2_A     8.359     0    0.066   0.791    10.733    4.167    9.206
LGA    A     3_A      A     3_A     7.595     0    0.639   0.594     9.268   15.476   12.667
LGA    D     4_A      D     4_A     0.400     0    0.577   1.355     5.791   87.500   64.583
LGA    L     5_A      L     5_A     0.346     0    0.095   0.141     0.391  100.000  100.000
LGA    A     6_A      A     6_A     0.402     0    0.040   0.049     0.461  100.000  100.000
LGA    H     7_A      H     7_A     0.439     0    0.052   1.133     2.427  100.000   88.381
LGA    G     8_A      G     8_A     0.301     0    0.044   0.044     0.419  100.000  100.000
LGA    K     9_A      K     9_A     0.315     0    0.023   0.064     0.484  100.000  100.000
LGA    A    10_A      A    10_A     0.388     0    0.038   0.048     0.449  100.000  100.000
LGA    I    11_A      I    11_A     0.346     0    0.025   0.095     0.489  100.000  100.000
LGA    F    12_A      F    12_A     0.221     0    0.007   0.068     0.315  100.000  100.000
LGA    A    13_A      A    13_A     0.099     0    0.029   0.038     0.230  100.000  100.000
LGA    G    14_A      G    14_A     0.178     0    0.025   0.025     0.279  100.000  100.000
LGA    N    15_A      N    15_A     0.263     0    0.020   0.038     0.496  100.000  100.000
LGA    C    16_A      C    16_A     0.216     0    0.058   0.102     0.409  100.000  100.000
LGA    A    17_A      A    17_A     0.210     0    0.025   0.038     0.365  100.000  100.000
LGA    A    18_A      A    18_A     0.475     0    0.032   0.031     0.733  100.000   98.095
LGA    C    19_A      C    19_A     0.434     0    0.033   0.092     0.825   97.619   95.238
LGA    H    20_A      H    20_A     0.334     0    0.125   0.118     0.414  100.000  100.000
LGA    N    21_A      N    21_A     0.589     0    0.035   0.317     1.229   95.238   91.726
LGA    G    22_A      G    22_A     0.487     0    0.020   0.020     0.606   97.619   97.619
LGA    G    23_A      G    23_A     0.370     0    0.028   0.028     0.437  100.000  100.000
LGA    L    24_A      L    24_A     0.150     0    0.070   0.139     0.631  100.000   97.619
LGA    N    25_A      N    25_A     0.208     0    0.015   0.080     0.288  100.000  100.000
LGA    A    26_A      A    26_A     0.255     0    0.143   0.145     0.807   97.619   98.095
LGA    I    27_A      I    27_A     0.556     0    0.037   0.616     1.843   92.857   89.464
LGA    N    28_A      N    28_A     0.609     0    0.031   0.047     1.177   90.476   89.345
LGA    P    29_A      P    29_A     0.585     0    0.014   0.045     0.773   90.476   90.476
LGA    S    30_A      S    30_A     0.864     0    0.072   0.091     1.354   90.476   87.460
LGA    K    31_A      K    31_A     0.595     0    0.030   0.836     2.556   95.238   87.884
LGA    T    32_A      T    32_A     0.210     0    0.007   0.072     0.392  100.000  100.000
LGA    L    33_A      L    33_A     0.067     0    0.027   0.100     0.329  100.000  100.000
LGA    K    34_A      K    34_A     0.198     0    0.011   0.133     1.643  100.000   92.804
LGA    M    35_A      M    35_A     0.126     0    0.062   0.089     0.160  100.000  100.000
LGA    A    36_A      A    36_A     0.142     0    0.023   0.029     0.173  100.000  100.000
LGA    D    37_A      D    37_A     0.081     0    0.016   0.103     0.403  100.000  100.000
LGA    L    38_A      L    38_A     0.163     0    0.030   0.055     0.309  100.000  100.000
LGA    E    39_A      E    39_A     0.169     0    0.064   0.890     4.085  100.000   84.127
LGA    A    40_A      A    40_A     0.246     0    0.021   0.034     0.405  100.000  100.000
LGA    N    41_A      N    41_A     0.496     0    0.028   0.158     0.919   95.238   95.238
LGA    G    42_A      G    42_A     0.544     0    0.037   0.037     0.654   90.476   90.476
LGA    K    43_A      K    43_A     0.452     0    0.032   0.110     1.407   97.619   92.698
LGA    N    44_A      N    44_A     0.135     0    0.168   0.136     0.821   97.619   95.238
LGA    S    45_A      S    45_A     0.131     0    0.045   0.085     0.367  100.000  100.000
LGA    V    46_A      V    46_A     0.256     0    0.043   0.071     0.423  100.000  100.000
LGA    A    47_A      A    47_A     0.139     0    0.016   0.023     0.249  100.000  100.000
LGA    A    48_A      A    48_A     0.138     0    0.017   0.031     0.305  100.000  100.000
LGA    I    49_A      I    49_A     0.162     0    0.061   0.068     0.330  100.000  100.000
LGA    V    50_A      V    50_A     0.034     0    0.068   0.067     0.145  100.000  100.000
LGA    A    51_A      A    51_A     0.284     0    0.034   0.032     0.485  100.000  100.000
LGA    Q    52_A      Q    52_A     0.325     0    0.012   0.237     1.149  100.000   94.762
LGA    I    53_A      I    53_A     0.106     0    0.035   0.048     0.407  100.000  100.000
LGA    T    54_A      T    54_A     0.211     0    0.013   0.046     0.288  100.000  100.000
LGA    N    55_A      N    55_A     0.244     0    0.030   0.163     0.682  100.000   98.810
LGA    G    56_A      G    56_A     0.268     0    0.026   0.026     0.310  100.000  100.000
LGA    N    57_A      N    57_A     0.174     0    0.077   0.181     0.465  100.000  100.000
LGA    G    58_A      G    58_A     0.735     0    0.048   0.048     0.735   90.476   90.476
LGA    A    59_A      A    59_A     0.398     0    0.078   0.093     0.474  100.000  100.000
LGA    M    60_A      M    60_A     0.418     0    0.020   0.184     0.829  100.000   96.429
LGA    P    61_A      P    61_A     0.455     0    0.024   0.031     0.581  100.000   95.918
LGA    G    62_A      G    62_A     0.146     0    0.048   0.048     0.249  100.000  100.000
LGA    F    63_A      F    63_A     0.198     0    0.039   0.061     0.270  100.000  100.000
LGA    K    64_A      K    64_A     0.248     0    0.044   0.561     2.198  100.000   92.011
LGA    G    65_A      G    65_A     0.374     0    0.019   0.019     0.374  100.000  100.000
LGA    R    66_A      R    66_A     0.190     0    0.075   1.094     3.992  100.000   85.195
LGA    I    67_A      I    67_A     0.148     0    0.020   0.081     0.218  100.000  100.000
LGA    S    68_A      S    68_A     0.067     0    0.030   0.066     0.240  100.000  100.000
LGA    D    69_A      D    69_A     0.110     0    0.019   0.285     0.794  100.000   97.619
LGA    S    70_A      S    70_A     0.320     0    0.038   0.133     0.460  100.000  100.000
LGA    D    71_A      D    71_A     0.248     0    0.031   0.250     1.239  100.000   95.298
LGA    M    72_A      M    72_A     0.277     0    0.020   0.668     2.045  100.000   94.405
LGA    E    73_A      E    73_A     0.322     0    0.032   0.709     2.698  100.000   88.307
LGA    D    74_A      D    74_A     0.256     0    0.004   0.103     0.635  100.000   98.810
LGA    V    75_A      V    75_A     0.283     0    0.036   1.102     2.275  100.000   89.932
LGA    A    76_A      A    76_A     0.291     0    0.006   0.023     0.411  100.000  100.000
LGA    A    77_A      A    77_A     0.278     0    0.044   0.052     0.348  100.000  100.000
LGA    Y    78_A      Y    78_A     0.142     0    0.008   0.054     0.259  100.000  100.000
LGA    V    79_A      V    79_A     0.177     0    0.011   0.036     0.254  100.000  100.000
LGA    L    80_A      L    80_A     0.224     0    0.060   0.193     0.445  100.000  100.000
LGA    D    81_A      D    81_A     0.304     0    0.025   0.129     1.065  100.000   95.298
LGA    Q    82_A      Q    82_A     0.178     0    0.017   0.974     2.546  100.000   92.222
LGA    A    83_A      A    83_A     0.234     0    0.017   0.017     0.326  100.000  100.000
LGA    E    84_A      E    84_A     0.551     0    0.035   1.175     4.523   92.857   73.280
LGA    K    85_A      K    85_A     1.059     0    0.057   0.915     2.692   85.952   80.000
LGA    G    86_A      G    86_A     1.259     0    0.588   0.588     3.855   72.024   72.024
LGA    W    87_A      W    87_A     0.731     0    0.170   1.302     4.433   90.476   76.769

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     616    616  100.00                87
SUMMARY(RMSD_GDC):     1.949          1.922                  1.736           95.029   92.598

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.38    96.839    97.948    17.402

LGA_LOCAL      RMSD:   0.383  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.061  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   1.949  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.888074 * X  +  -0.349773 * Y  +   0.298300 * Z  +  10.387071
  Y_new =  -0.300020 * X  +   0.932649 * Y  +   0.200387 * Z  +  29.752167
  Z_new =  -0.348299 * X  +   0.088463 * Y  +  -0.933200 * Z  +  86.318359 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.815799  0.355756  3.047080   [DEG: -161.3334   20.3833  174.5848 ]
ZXZ:  2.162319  2.774013 -1.322071   [DEG:  123.8917  158.9393  -75.7491 ]
 
# END of job
