
#######################################################
#                                                     #
#                        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        1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       4_A - 87_A        0.55     2.01
  LCS_AVERAGE:     93.34

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      3   87   87      0    3    4    4    5    7    7   15   19   24   29   40   47   58   71   87   87   87   87   87 
LCS_GDT     S     2_A     S     2_A      3   87   87      0    3    5   17   23   37   67   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A     3_A     A     3_A      3   87   87      3    3    4    4    6   35   45   50   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     D     4_A     D     4_A     84   87   87     37   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     L     5_A     L     5_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A     6_A     A     6_A     84   87   87     58   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     H     7_A     H     7_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     G     8_A     G     8_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     K     9_A     K     9_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    10_A     A    10_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     I    11_A     I    11_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     F    12_A     F    12_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    13_A     A    13_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     G    14_A     G    14_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     N    15_A     N    15_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     C    16_A     C    16_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    17_A     A    17_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    18_A     A    18_A     84   87   87     15   63   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     C    19_A     C    19_A     84   87   87     42   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     H    20_A     H    20_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     N    21_A     N    21_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     G    22_A     G    22_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     G    23_A     G    23_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     L    24_A     L    24_A     84   87   87     37   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     N    25_A     N    25_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    26_A     A    26_A     84   87   87     58   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     I    27_A     I    27_A     84   87   87     58   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     N    28_A     N    28_A     84   87   87     54   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     P    29_A     P    29_A     84   87   87     15   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     S    30_A     S    30_A     84   87   87     26   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     K    31_A     K    31_A     84   87   87     35   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     T    32_A     T    32_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     L    33_A     L    33_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     K    34_A     K    34_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     M    35_A     M    35_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    36_A     A    36_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     D    37_A     D    37_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     L    38_A     L    38_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     E    39_A     E    39_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    40_A     A    40_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     N    41_A     N    41_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     G    42_A     G    42_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     K    43_A     K    43_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     N    44_A     N    44_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     S    45_A     S    45_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     V    46_A     V    46_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    47_A     A    47_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    48_A     A    48_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     I    49_A     I    49_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     V    50_A     V    50_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    51_A     A    51_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     I    53_A     I    53_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     T    54_A     T    54_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     N    55_A     N    55_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     G    56_A     G    56_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     N    57_A     N    57_A     84   87   87     19   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     G    58_A     G    58_A     84   87   87     19   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    59_A     A    59_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     M    60_A     M    60_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     P    61_A     P    61_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     G    62_A     G    62_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     F    63_A     F    63_A     84   87   87     40   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     K    64_A     K    64_A     84   87   87     19   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     G    65_A     G    65_A     84   87   87      5   79   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     R    66_A     R    66_A     84   87   87      5   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     I    67_A     I    67_A     84   87   87     10   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     S    68_A     S    68_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     D    69_A     D    69_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     S    70_A     S    70_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     D    71_A     D    71_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     M    72_A     M    72_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     E    73_A     E    73_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     D    74_A     D    74_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     V    75_A     V    75_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    76_A     A    76_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    77_A     A    77_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     V    79_A     V    79_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     L    80_A     L    80_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     D    81_A     D    81_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     A    83_A     A    83_A     84   87   87     56   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     E    84_A     E    84_A     84   87   87     37   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     K    85_A     K    85_A     84   87   87     25   63   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     G    86_A     G    86_A     84   87   87     15   72   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_GDT     W    87_A     W    87_A     84   87   87     61   80   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87   87   87 
LCS_AVERAGE  LCS_A:  97.78  (  93.34  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     61     80     84     84     84     84     84     85     86     86     86     86     86     86     86     87     87     87     87     87 
GDT PERCENT_AT  70.11  91.95  96.55  96.55  96.55  96.55  96.55  97.70  98.85  98.85  98.85  98.85  98.85  98.85  98.85 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.47   0.55   0.55   0.55   0.55   0.55   0.98   1.27   1.27   1.27   1.27   1.27   1.27   1.27   1.90   1.90   1.90   1.90   1.90
GDT RMS_ALL_AT   2.02   2.00   2.01   2.01   2.01   2.01   2.01   1.96   1.93   1.93   1.93   1.93   1.93   1.93   1.93   1.90   1.90   1.90   1.90   1.90

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  E    39_A      E    39_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    13.850     0    0.083   0.083    15.901    0.000    0.000
LGA    S     2_A      S     2_A     7.351     0    0.669   0.858     9.421    7.857   15.794
LGA    A     3_A      A     3_A     7.720     0    0.535   0.550     9.132   15.476   12.667
LGA    D     4_A      D     4_A     0.721     0    0.574   1.329     5.648   85.119   65.000
LGA    L     5_A      L     5_A     0.383     0    0.066   0.076     0.593  100.000   98.810
LGA    A     6_A      A     6_A     0.430     0    0.034   0.036     0.666  100.000   98.095
LGA    H     7_A      H     7_A     0.433     0    0.037   1.083     2.258  100.000   87.333
LGA    G     8_A      G     8_A     0.280     0    0.027   0.027     0.342  100.000  100.000
LGA    K     9_A      K     9_A     0.311     0    0.015   0.063     0.954  100.000   96.825
LGA    A    10_A      A    10_A     0.286     0    0.000   0.012     0.351  100.000  100.000
LGA    I    11_A      I    11_A     0.312     0    0.028   0.107     0.847  100.000   97.619
LGA    F    12_A      F    12_A     0.176     0    0.029   0.050     0.266  100.000  100.000
LGA    A    13_A      A    13_A     0.239     0    0.018   0.020     0.388  100.000  100.000
LGA    G    14_A      G    14_A     0.430     0    0.044   0.044     0.565   97.619   97.619
LGA    N    15_A      N    15_A     0.128     0    0.038   0.303     1.202  100.000   95.298
LGA    C    16_A      C    16_A     0.455     0    0.054   0.121     0.676   95.238   95.238
LGA    A    17_A      A    17_A     0.610     0    0.029   0.029     1.139   88.214   88.667
LGA    A    18_A      A    18_A     1.443     0    0.068   0.072     1.833   79.286   78.000
LGA    C    19_A      C    19_A     0.699     0    0.031   0.116     1.009   95.238   92.143
LGA    H    20_A      H    20_A     0.158     0    0.206   1.135     2.423   97.619   89.095
LGA    N    21_A      N    21_A     0.369     0    0.048   0.721     3.213  100.000   83.988
LGA    G    22_A      G    22_A     0.421     0    0.053   0.053     0.509   97.619   97.619
LGA    G    23_A      G    23_A     0.500     0    0.073   0.073     1.034   90.595   90.595
LGA    L    24_A      L    24_A     0.643     0    0.290   1.500     3.747   82.262   72.202
LGA    N    25_A      N    25_A     0.109     0    0.037   0.076     0.416  100.000  100.000
LGA    A    26_A      A    26_A     0.507     0    0.217   0.227     1.804   88.452   88.857
LGA    I    27_A      I    27_A     0.532     0    0.023   0.090     1.409   95.238   91.726
LGA    N    28_A      N    28_A     0.408     0    0.072   0.184     1.549  100.000   91.905
LGA    P    29_A      P    29_A     0.817     0    0.017   0.042     1.201   90.476   86.599
LGA    S    30_A      S    30_A     1.071     0    0.017   0.079     1.405   85.952   84.444
LGA    K    31_A      K    31_A     0.797     0    0.130   0.538     1.712   90.476   83.598
LGA    T    32_A      T    32_A     0.336     0    0.021   0.090     0.515   97.619   98.639
LGA    L    33_A      L    33_A     0.248     0    0.012   0.143     0.519  100.000   98.810
LGA    K    34_A      K    34_A     0.415     0    0.040   0.909     5.214   97.619   80.159
LGA    M    35_A      M    35_A     0.460     0    0.028   0.067     0.638   92.857   91.667
LGA    A    36_A      A    36_A     0.625     0    0.014   0.014     0.731   90.476   90.476
LGA    D    37_A      D    37_A     0.602     0    0.023   0.116     1.068   90.476   89.345
LGA    L    38_A      L    38_A     0.478     0    0.018   0.065     0.556   92.857   95.238
LGA    E    39_A      E    39_A     0.521     0    0.024   0.931     3.432   90.476   74.868
LGA    A    40_A      A    40_A     0.525     0    0.063   0.065     0.720   90.476   90.476
LGA    N    41_A      N    41_A     0.403     0    0.019   0.091     0.722  100.000   96.429
LGA    G    42_A      G    42_A     0.509     0    0.022   0.022     0.605   90.476   90.476
LGA    K    43_A      K    43_A     0.576     0    0.073   0.744     4.433   90.476   78.836
LGA    N    44_A      N    44_A     0.506     0    0.264   0.217     1.655   86.071   86.012
LGA    S    45_A      S    45_A     0.428     0    0.021   0.073     0.605  100.000   96.825
LGA    V    46_A      V    46_A     0.350     0    0.020   0.034     0.650  100.000   95.918
LGA    A    47_A      A    47_A     0.485     0    0.009   0.015     0.626  100.000   98.095
LGA    A    48_A      A    48_A     0.541     0    0.053   0.058     0.613   92.857   92.381
LGA    I    49_A      I    49_A     0.290     0    0.019   0.066     0.369  100.000  100.000
LGA    V    50_A      V    50_A     0.235     0    0.014   0.036     0.296  100.000  100.000
LGA    A    51_A      A    51_A     0.462     0    0.011   0.021     0.503   97.619   98.095
LGA    Q    52_A      Q    52_A     0.448     0    0.000   1.181     4.853  100.000   80.741
LGA    I    53_A      I    53_A     0.352     0    0.012   0.046     0.401  100.000  100.000
LGA    T    54_A      T    54_A     0.490     0    0.031   0.036     0.596   95.238   97.279
LGA    N    55_A      N    55_A     0.513     0    0.027   0.116     0.740   95.238   92.857
LGA    G    56_A      G    56_A     0.419     0    0.040   0.040     0.593   97.619   97.619
LGA    N    57_A      N    57_A     0.762     0    0.144   0.501     1.912   90.476   84.881
LGA    G    58_A      G    58_A     0.754     0    0.029   0.029     0.771   90.476   90.476
LGA    A    59_A      A    59_A     0.557     0    0.121   0.129     0.879   90.476   90.476
LGA    M    60_A      M    60_A     0.437     0    0.023   0.481     1.422  100.000   95.298
LGA    P    61_A      P    61_A     0.479     0    0.031   0.031     0.651  100.000   95.918
LGA    G    62_A      G    62_A     0.428     0    0.049   0.049     0.507   97.619   97.619
LGA    F    63_A      F    63_A     0.656     0    0.067   0.109     1.334   90.476   87.186
LGA    K    64_A      K    64_A     0.837     0    0.016   0.966     7.200   92.857   68.942
LGA    G    65_A      G    65_A     1.074     0    0.039   0.039     1.298   83.690   83.690
LGA    R    66_A      R    66_A     0.964     0    0.138   1.242     4.956   90.476   66.883
LGA    I    67_A      I    67_A     0.778     0    0.106   1.122     2.772   90.476   80.774
LGA    S    68_A      S    68_A     0.405     0    0.050   0.083     0.473  100.000  100.000
LGA    D    69_A      D    69_A     0.435     0    0.007   0.241     1.439  100.000   95.298
LGA    S    70_A      S    70_A     0.560     0    0.031   0.718     1.563   92.857   89.127
LGA    D    71_A      D    71_A     0.570     0    0.069   0.258     1.425   97.619   90.655
LGA    M    72_A      M    72_A     0.258     0    0.037   0.142     0.578  100.000   98.810
LGA    E    73_A      E    73_A     0.283     0    0.008   0.687     2.799  100.000   88.307
LGA    D    74_A      D    74_A     0.309     0    0.009   0.076     0.406  100.000  100.000
LGA    V    75_A      V    75_A     0.377     0    0.034   1.105     2.448  100.000   88.571
LGA    A    76_A      A    76_A     0.265     0    0.007   0.027     0.314  100.000  100.000
LGA    A    77_A      A    77_A     0.216     0    0.019   0.022     0.350  100.000  100.000
LGA    Y    78_A      Y    78_A     0.353     0    0.012   0.100     0.454  100.000  100.000
LGA    V    79_A      V    79_A     0.284     0    0.017   0.038     0.327  100.000  100.000
LGA    L    80_A      L    80_A     0.204     0    0.023   0.177     0.536  100.000   97.619
LGA    D    81_A      D    81_A     0.460     0    0.022   0.074     0.594   97.619   94.048
LGA    Q    82_A      Q    82_A     0.497     0    0.021   0.789     2.114   95.238   90.952
LGA    A    83_A      A    83_A     0.550     0    0.005   0.017     0.800   92.857   94.286
LGA    E    84_A      E    84_A     0.732     0    0.019   0.113     0.921   90.476   90.476
LGA    K    85_A      K    85_A     1.409     0    0.016   0.955     2.812   79.286   77.884
LGA    G    86_A      G    86_A     1.568     0    0.517   0.517     3.775   67.619   67.619
LGA    W    87_A      W    87_A     0.332     0    0.516   1.232     7.514   82.500   53.741

# 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):     1.900          1.896                  1.917           91.773   87.937

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     85    0.98    96.552    97.827     7.864

LGA_LOCAL      RMSD:   0.981  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.957  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   1.900  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.552054 * X  +   0.536834 * Y  +  -0.638002 * Z  +  -3.072277
  Y_new =   0.605629 * X  +   0.784089 * Y  +   0.135714 * Z  +  20.904877
  Z_new =   0.573106 * X  +  -0.311471 * Y  +  -0.757981 * Z  +  79.745132 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.309949 -0.610291 -2.751706   [DEG:  132.3504  -34.9671 -157.6612 ]
ZXZ: -1.780389  2.431009  2.068619   [DEG: -102.0088  139.2865  118.5232 ]
 
# END of job
