
#######################################################
#                                                     #
#                        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 (  623),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  623),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:E  -ch2:E  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       1_E - 83_E        0.75     0.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       1_E - 83_E        0.75     0.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       1_E - 83_E        0.75     0.75
  LCS_AVERAGE:    100.00

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     M     1_E     M     1_E     83   83   83      3    3    3    4   13   37   71   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S     2_E     S     2_E     83   83   83      6   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G     3_E     G     3_E     83   83   83     20   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D     4_E     D     4_E     83   83   83     46   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N     5_E     N     5_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     F     6_E     F     6_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L     7_E     L     7_E     83   83   83     42   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     8_E     K     8_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A     9_E     A     9_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     F    10_E     F    10_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    11_E     A    11_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    12_E     A    12_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    13_E     L    13_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    14_E     E    14_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    15_E     A    15_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    16_E     L    16_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    17_E     A    17_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    18_E     A    18_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    19_E     L    19_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    20_E     P    20_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    21_E     A    21_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    22_E     S    22_E     83   83   83     51   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    23_E     A    23_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    24_E     K    24_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    25_E     E    25_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    26_E     L    26_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    27_E     Q    27_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    28_E     L    28_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    29_E     E    29_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    30_E     L    30_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    31_E     I    31_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    32_E     K    32_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    33_E     Q    33_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     F    34_E     F    34_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     M    35_E     M    35_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    36_E     A    36_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    37_E     E    37_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    38_E     A    38_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     M    39_E     M    39_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    40_E     K    40_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    41_E     I    41_E     83   83   83     56   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    42_E     G    42_E     83   83   83     52   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    43_E     N    43_E     83   83   83     53   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    44_E     K    44_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    45_E     E    45_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    46_E     G    46_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    47_E     L    47_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    48_E     L    48_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    49_E     L    49_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    50_E     L    50_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    51_E     A    51_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    52_E     E    52_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    53_E     R    53_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    54_E     L    54_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    55_E     E    55_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    56_E     A    56_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    57_E     L    57_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    58_E     K    58_E     83   83   83     23   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    59_E     P    59_E     83   83   83     23   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    60_E     K    60_E     83   83   83     34   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    61_E     V    61_E     83   83   83     23   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    62_E     S    62_E     83   83   83     23   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    63_E     P    63_E     83   83   83     32   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    64_E     E    64_E     83   83   83      4    6   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    65_E     I    65_E     83   83   83     14   37   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    66_E     A    66_E     83   83   83     14   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    67_E     V    67_E     83   83   83     21   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    68_E     L    68_E     83   83   83     23   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    69_E     V    69_E     83   83   83     46   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    70_E     E    70_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    71_E     K    71_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    72_E     A    72_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    73_E     A    73_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    74_E     E    74_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     M    75_E     M    75_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    76_E     L    76_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    77_E     K    77_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    78_E     L    78_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    79_E     L    79_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    80_E     A    80_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    81_E     K    81_E     83   83   83     60   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    82_E     A    82_E     83   83   83     56   79   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    83_E     L    83_E     83   83   83      7   78   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     60     79     82     82     82     82     82     83     83     83     83     83     83     83     83     83     83     83     83     83 
GDT PERCENT_AT  72.29  95.18  98.80  98.80  98.80  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.48   0.53   0.53   0.53   0.53   0.53   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75
GDT RMS_ALL_AT   0.79   0.77   0.76   0.76   0.76   0.76   0.76   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75

# Checking swapping
#   possible swapping detected:  D     4_E      D     4_E
#   possible swapping detected:  F     6_E      F     6_E
#   possible swapping detected:  F    10_E      F    10_E
#   possible swapping detected:  E    29_E      E    29_E
#   possible swapping detected:  F    34_E      F    34_E
#   possible swapping detected:  E    37_E      E    37_E
#   possible swapping detected:  E    45_E      E    45_E
#   possible swapping detected:  E    74_E      E    74_E

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_E      M     1_E     4.774     0    0.243   0.318    12.182   41.190   23.631
LGA    S     2_E      S     2_E     1.245     0    0.525   0.579     5.159   81.548   65.952
LGA    G     3_E      G     3_E     0.861     0    0.074   0.074     0.959   90.476   90.476
LGA    D     4_E      D     4_E     0.673     0    0.025   0.967     4.061   90.476   75.476
LGA    N     5_E      N     5_E     0.399     0    0.025   1.012     2.498   97.619   89.821
LGA    F     6_E      F     6_E     0.503     0    0.095   0.127     0.633   92.857   93.074
LGA    L     7_E      L     7_E     0.882     0    0.036   0.200     1.720   92.857   85.000
LGA    K     8_E      K     8_E     0.489     0    0.042   0.171     0.889   97.619   94.709
LGA    A     9_E      A     9_E     0.252     0    0.041   0.055     0.331  100.000  100.000
LGA    F    10_E      F    10_E     0.428     0    0.052   0.145     1.409   97.619   90.606
LGA    A    11_E      A    11_E     0.169     0    0.065   0.076     0.252  100.000  100.000
LGA    A    12_E      A    12_E     0.298     0    0.020   0.022     0.510  100.000   98.095
LGA    L    13_E      L    13_E     0.486     0    0.056   0.092     0.647   95.238   97.619
LGA    E    14_E      E    14_E     0.481     0    0.005   0.231     0.888  100.000   94.709
LGA    A    15_E      A    15_E     0.496     0    0.061   0.072     0.625  100.000   98.095
LGA    L    16_E      L    16_E     0.528     0    0.049   0.078     0.552   90.476   91.667
LGA    A    17_E      A    17_E     0.625     0    0.033   0.032     0.751   95.238   94.286
LGA    A    18_E      A    18_E     0.438     0    0.062   0.079     0.679  100.000   98.095
LGA    L    19_E      L    19_E     0.304     0    0.045   0.095     0.588   97.619   95.238
LGA    P    20_E      P    20_E     0.268     0    0.053   0.075     0.717   97.619   98.639
LGA    A    21_E      A    21_E     0.651     0    0.020   0.029     0.851   92.857   92.381
LGA    S    22_E      S    22_E     0.746     0    0.017   0.266     1.091   90.476   88.968
LGA    A    23_E      A    23_E     0.597     0    0.062   0.061     0.899   90.476   92.381
LGA    K    24_E      K    24_E     0.700     0    0.039   0.923     4.607   92.857   74.021
LGA    E    25_E      E    25_E     0.583     0    0.028   1.106     4.279   92.857   76.667
LGA    L    26_E      L    26_E     0.362     0    0.023   1.356     2.875   97.619   84.702
LGA    Q    27_E      Q    27_E     0.340     0    0.015   0.136     0.530  100.000   98.942
LGA    L    28_E      L    28_E     0.456     0    0.047   0.074     1.013  100.000   94.107
LGA    E    29_E      E    29_E     0.325     0    0.069   0.866     3.979  100.000   83.386
LGA    L    30_E      L    30_E     0.113     0    0.044   0.172     0.572  100.000   98.810
LGA    I    31_E      I    31_E     0.161     0    0.015   0.102     0.333  100.000  100.000
LGA    K    32_E      K    32_E     0.161     0    0.047   0.815     2.751  100.000   92.222
LGA    Q    33_E      Q    33_E     0.238     0    0.034   0.830     3.381  100.000   85.767
LGA    F    34_E      F    34_E     0.153     0    0.024   0.037     0.698  100.000   96.537
LGA    M    35_E      M    35_E     0.305     0    0.041   0.143     0.803  100.000   97.619
LGA    A    36_E      A    36_E     0.304     0    0.011   0.013     0.324  100.000  100.000
LGA    E    37_E      E    37_E     0.265     0    0.019   0.421     1.823  100.000   93.810
LGA    A    38_E      A    38_E     0.091     0    0.106   0.119     0.280  100.000  100.000
LGA    M    39_E      M    39_E     0.419     0    0.021   1.098     4.145  100.000   84.405
LGA    K    40_E      K    40_E     0.083     0    0.020   0.732     3.744  100.000   83.386
LGA    I    41_E      I    41_E     0.518     0    0.636   0.668     3.456   80.476   90.238
LGA    G    42_E      G    42_E     0.706     0    0.098   0.098     1.031   88.214   88.214
LGA    N    43_E      N    43_E     0.675     0    0.011   0.196     0.901   95.238   92.857
LGA    K    44_E      K    44_E     0.203     0    0.037   0.904     4.234  100.000   79.101
LGA    E    45_E      E    45_E     0.247     0    0.018   0.730     3.468  100.000   84.550
LGA    G    46_E      G    46_E     0.362     0    0.036   0.036     0.362  100.000  100.000
LGA    L    47_E      L    47_E     0.386     0    0.027   0.093     0.810   97.619   96.429
LGA    L    48_E      L    48_E     0.303     0    0.066   0.146     0.857  100.000   97.619
LGA    L    49_E      L    49_E     0.215     0    0.020   1.373     3.441  100.000   83.095
LGA    L    50_E      L    50_E     0.527     0    0.023   0.041     0.888   95.238   92.857
LGA    A    51_E      A    51_E     0.466     0    0.016   0.019     0.469  100.000  100.000
LGA    E    52_E      E    52_E     0.234     0    0.032   1.142     3.947  100.000   81.587
LGA    R    53_E      R    53_E     0.299     0    0.045   1.126     3.917  100.000   75.411
LGA    L    54_E      L    54_E     0.178     0    0.061   0.094     0.280  100.000  100.000
LGA    E    55_E      E    55_E     0.254     0    0.035   0.618     1.450  100.000   94.815
LGA    A    56_E      A    56_E     0.242     0    0.026   0.031     0.344  100.000  100.000
LGA    L    57_E      L    57_E     0.340     0    0.037   0.124     0.603   97.619   95.238
LGA    K    58_E      K    58_E     0.679     0    0.035   0.836     2.671   92.857   82.116
LGA    P    59_E      P    59_E     0.661     0    0.070   0.112     1.078   88.214   90.544
LGA    K    60_E      K    60_E     0.599     0    0.027   0.887     5.123   90.476   74.444
LGA    V    61_E      V    61_E     0.719     0    0.026   0.111     0.882   90.476   90.476
LGA    S    62_E      S    62_E     0.906     0    0.037   0.535     1.369   90.476   87.460
LGA    P    63_E      P    63_E     0.806     0    0.117   0.375     1.620   88.214   84.082
LGA    E    64_E      E    64_E     1.135     0    0.190   0.890     2.625   79.524   76.984
LGA    I    65_E      I    65_E     1.519     0    0.220   1.551     3.967   81.548   73.571
LGA    A    66_E      A    66_E     0.993     0    0.057   0.067     1.295   90.595   90.571
LGA    V    67_E      V    67_E     0.762     0    0.031   0.064     1.273   90.476   86.599
LGA    L    68_E      L    68_E     0.758     0    0.015   1.407     3.722   92.857   78.393
LGA    V    69_E      V    69_E     0.548     0    0.024   0.081     0.782   95.238   93.197
LGA    E    70_E      E    70_E     0.064     0    0.092   0.415     0.842  100.000   96.825
LGA    K    71_E      K    71_E     0.382     0    0.043   1.054     5.982  100.000   78.042
LGA    A    72_E      A    72_E     0.099     0    0.047   0.060     0.266  100.000  100.000
LGA    A    73_E      A    73_E     0.132     0    0.023   0.023     0.377  100.000  100.000
LGA    E    74_E      E    74_E     0.308     0    0.105   0.210     0.650  100.000   98.942
LGA    M    75_E      M    75_E     0.365     0    0.027   0.963     3.317  100.000   91.369
LGA    L    76_E      L    76_E     0.250     0    0.021   0.193     0.711  100.000   97.619
LGA    K    77_E      K    77_E     0.381     0    0.033   0.475     1.473   97.619   93.757
LGA    L    78_E      L    78_E     0.267     0    0.105   0.221     0.592  100.000   96.429
LGA    L    79_E      L    79_E     0.170     0    0.019   0.259     1.044  100.000   97.679
LGA    A    80_E      A    80_E     0.497     0    0.044   0.041     0.784   95.238   94.286
LGA    K    81_E      K    81_E     0.311     0    0.016   0.738     3.674  100.000   85.714
LGA    A    82_E      A    82_E     0.371     0    0.099   0.095     0.713   95.238   96.190
LGA    L    83_E      L    83_E     1.340     0    0.608   0.557     1.959   79.405   83.869

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     623    623  100.00                83
SUMMARY(RMSD_GDC):     0.755          0.732                  1.471           95.283   89.933

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     83    0.75    98.494    99.223     9.708

LGA_LOCAL      RMSD:   0.755  Number of atoms:   83  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.755  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   0.755  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.075811 * X  +   0.942593 * Y  +   0.325224 * Z  + -29.854336
  Y_new =   0.871159 * X  +   0.221294 * Y  +  -0.438305 * Z  + -41.335724
  Z_new =  -0.485113 * X  +   0.250094 * Y  +  -0.837925 * Z  + -67.073456 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.657600  0.506493  2.851542   [DEG:   94.9735   29.0199  163.3813 ]
ZXZ:  0.638364  2.564266 -1.094797   [DEG:   36.5756  146.9216  -62.7272 ]
 
# END of job
