
#######################################################
#                                                     #
#                        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 (  626),  selected   87 , name one
# Molecule2: number of CA atoms   89 (  636),  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       3_A - 89_A        0.72     0.72
  LCS_AVERAGE:     97.75

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       3_A - 89_A        0.72     0.72
  LCS_AVERAGE:     97.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       3_A - 89_A        0.72     0.72
  LCS_AVERAGE:     97.75

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     A     3_A     A     3_A     87   87   87     17   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D     4_A     D     4_A     87   87   87     69   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L     5_A     L     5_A     87   87   87     70   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A     6_A     A     6_A     87   87   87     55   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     H     7_A     H     7_A     87   87   87     69   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G     8_A     G     8_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G     9_A     G     9_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    10_A     Q    10_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    11_A     V    11_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     F    12_A     F    12_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    13_A     S    13_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    14_A     A    14_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    15_A     N    15_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     C    16_A     C    16_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    17_A     A    17_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    18_A     A    18_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     C    19_A     C    19_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     H    20_A     H    20_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    21_A     L    21_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    22_A     G    22_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    23_A     G    23_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     R    24_A     R    24_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    25_A     N    25_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    26_A     V    26_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    27_A     V    27_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    28_A     N    28_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     P    29_A     P    29_A     87   87   87     46   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    30_A     A    30_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    31_A     K    31_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    32_A     T    32_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    33_A     L    33_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    34_A     Q    34_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    35_A     K    35_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    36_A     A    36_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    37_A     D    37_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    38_A     L    38_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    39_A     D    39_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    40_A     Q    40_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Y    41_A     Y    41_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    42_A     G    42_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    43_A     M    43_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    44_A     A    44_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    45_A     S    45_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    46_A     I    46_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    47_A     E    47_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    48_A     A    48_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    49_A     I    49_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    50_A     T    50_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    51_A     T    51_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    53_A     V    53_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    54_A     T    54_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    55_A     N    55_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    56_A     G    56_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    57_A     K    57_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    58_A     G    58_A     87   87   87     36   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    59_A     A    59_A     87   87   87     49   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    60_A     M    60_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     P    61_A     P    61_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    62_A     A    62_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     F    63_A     F    63_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    64_A     G    64_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    65_A     S    65_A     87   87   87     32   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    66_A     K    66_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    67_A     L    67_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    68_A     S    68_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    69_A     A    69_A     87   87   87     70   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    70_A     D    70_A     87   87   87     67   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    71_A     D    71_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    72_A     I    72_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    73_A     A    73_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    74_A     D    74_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    75_A     V    75_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    76_A     A    76_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    77_A     S    77_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    79_A     V    79_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    80_A     L    80_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    81_A     D    81_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    83_A     S    83_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    84_A     E    84_A     87   87   87     63   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    85_A     K    85_A     87   87   87     19   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    86_A     G    86_A     87   87   87     46   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     W    87_A     W    87_A     87   87   87     71   84   85   85   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    88_A     Q    88_A     87   87   87      3    5   10   12   86   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    89_A     G    89_A     87   87   87      3    5   10   12   13   17   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_AVERAGE  LCS_A:  97.75  (  97.75   97.75   97.75 )

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     71     84     85     85     86     86     87     87     87     87     87     87     87     87     87     87     87     87     87     87 
GDT PERCENT_AT  79.78  94.38  95.51  95.51  96.63  96.63  97.75  97.75  97.75  97.75  97.75  97.75  97.75  97.75  97.75  97.75  97.75  97.75  97.75  97.75
GDT RMS_LOCAL    0.28   0.39   0.40   0.40   0.54   0.54   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72
GDT RMS_ALL_AT   0.73   0.74   0.74   0.74   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72   0.72

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  D    39_A      D    39_A
#   possible swapping detected:  F    63_A      F    63_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     3_A      A     3_A     1.075     0    0.483   0.501     2.233   77.262   76.381
LGA    D     4_A      D     4_A     0.606     0    0.025   0.112     0.880   95.238   92.857
LGA    L     5_A      L     5_A     0.569     0    0.070   0.073     0.658   92.857   92.857
LGA    A     6_A      A     6_A     0.869     0    0.050   0.057     1.031   90.476   88.667
LGA    H     7_A      H     7_A     0.610     0    0.042   1.151     2.511   95.238   83.810
LGA    G     8_A      G     8_A     0.260     0    0.051   0.051     0.353  100.000  100.000
LGA    G     9_A      G     9_A     0.389     0    0.042   0.042     0.389  100.000  100.000
LGA    Q    10_A      Q    10_A     0.425     0    0.015   0.117     0.818  100.000   96.825
LGA    V    11_A      V    11_A     0.264     0    0.018   0.040     0.324  100.000  100.000
LGA    F    12_A      F    12_A     0.209     0    0.026   0.048     0.246  100.000  100.000
LGA    S    13_A      S    13_A     0.253     0    0.013   0.051     0.409  100.000  100.000
LGA    A    14_A      A    14_A     0.225     0    0.063   0.084     0.491  100.000  100.000
LGA    N    15_A      N    15_A     0.278     0    0.021   0.034     0.306  100.000  100.000
LGA    C    16_A      C    16_A     0.188     0    0.025   0.082     0.355  100.000  100.000
LGA    A    17_A      A    17_A     0.213     0    0.029   0.027     0.282  100.000  100.000
LGA    A    18_A      A    18_A     0.189     0    0.019   0.025     0.234  100.000  100.000
LGA    C    19_A      C    19_A     0.221     0    0.044   0.061     0.284  100.000  100.000
LGA    H    20_A      H    20_A     0.234     0    0.021   0.061     0.311  100.000  100.000
LGA    L    21_A      L    21_A     0.154     0    0.098   0.163     0.772  100.000   97.619
LGA    G    22_A      G    22_A     0.216     0    0.075   0.075     0.252  100.000  100.000
LGA    G    23_A      G    23_A     0.276     0    0.033   0.033     0.338  100.000  100.000
LGA    R    24_A      R    24_A     0.241     0    0.015   1.073     2.928  100.000   88.485
LGA    N    25_A      N    25_A     0.240     0    0.060   0.146     0.400  100.000  100.000
LGA    V    26_A      V    26_A     0.376     0    0.048   0.078     0.537   97.619   98.639
LGA    V    27_A      V    27_A     0.463     0    0.032   0.042     0.756   95.238   95.918
LGA    N    28_A      N    28_A     0.696     0    0.028   0.107     1.105   90.476   89.345
LGA    P    29_A      P    29_A     0.917     0    0.052   0.277     2.145   90.476   84.218
LGA    A    30_A      A    30_A     0.175     0    0.047   0.063     0.296  100.000  100.000
LGA    K    31_A      K    31_A     0.291     0    0.015   0.668     1.385  100.000   93.810
LGA    T    32_A      T    32_A     0.192     0    0.024   0.136     0.353  100.000  100.000
LGA    L    33_A      L    33_A     0.083     0    0.025   0.052     0.218  100.000  100.000
LGA    Q    34_A      Q    34_A     0.073     0    0.023   0.696     2.686  100.000   93.122
LGA    K    35_A      K    35_A     0.242     0    0.031   0.171     1.275  100.000   94.762
LGA    A    36_A      A    36_A     0.261     0    0.026   0.031     0.573  100.000   98.095
LGA    D    37_A      D    37_A     0.554     0    0.016   0.154     0.825   92.857   91.667
LGA    L    38_A      L    38_A     0.529     0    0.019   0.164     0.607   95.238   97.619
LGA    D    39_A      D    39_A     0.434     0    0.020   0.183     0.548  100.000   98.810
LGA    Q    40_A      Q    40_A     0.527     0    0.066   1.185     4.086   90.476   77.831
LGA    Y    41_A      Y    41_A     0.314     0    0.063   0.278     1.583  100.000   92.262
LGA    G    42_A      G    42_A     0.357     0    0.049   0.049     0.500  100.000  100.000
LGA    M    43_A      M    43_A     0.301     0    0.049   0.061     0.396  100.000  100.000
LGA    A    44_A      A    44_A     0.461     0    0.023   0.024     0.504  100.000   98.095
LGA    S    45_A      S    45_A     0.302     0    0.015   0.070     0.319  100.000  100.000
LGA    I    46_A      I    46_A     0.320     0    0.015   0.660     2.308  100.000   95.595
LGA    E    47_A      E    47_A     0.564     0    0.077   0.951     5.084   97.619   72.487
LGA    A    48_A      A    48_A     0.275     0    0.040   0.045     0.363  100.000  100.000
LGA    I    49_A      I    49_A     0.282     0    0.019   0.036     0.323  100.000  100.000
LGA    T    50_A      T    50_A     0.384     0    0.036   1.150     2.452  100.000   88.571
LGA    T    51_A      T    51_A     0.349     0    0.024   1.064     2.498  100.000   89.932
LGA    Q    52_A      Q    52_A     0.272     0    0.044   0.353     0.829  100.000   98.942
LGA    V    53_A      V    53_A     0.274     0    0.030   0.043     0.456  100.000  100.000
LGA    T    54_A      T    54_A     0.337     0    0.025   0.053     0.381  100.000  100.000
LGA    N    55_A      N    55_A     0.339     0    0.012   0.472     1.305  100.000   96.488
LGA    G    56_A      G    56_A     0.178     0    0.051   0.051     0.237  100.000  100.000
LGA    K    57_A      K    57_A     0.303     0    0.116   0.690     2.484  100.000   91.958
LGA    G    58_A      G    58_A     0.982     0    0.093   0.093     0.982   90.476   90.476
LGA    A    59_A      A    59_A     0.591     0    0.053   0.064     0.748   92.857   94.286
LGA    M    60_A      M    60_A     0.275     0    0.018   0.067     0.375  100.000  100.000
LGA    P    61_A      P    61_A     0.367     0    0.025   0.157     0.573  100.000   97.279
LGA    A    62_A      A    62_A     0.493     0    0.060   0.077     0.851   95.238   94.286
LGA    F    63_A      F    63_A     0.294     0    0.030   0.060     0.376  100.000  100.000
LGA    G    64_A      G    64_A     0.339     0    0.018   0.018     0.488  100.000  100.000
LGA    S    65_A      S    65_A     0.732     0    0.015   0.636     3.093   90.595   82.302
LGA    K    66_A      K    66_A     0.386     0    0.015   1.092     6.737  100.000   76.931
LGA    L    67_A      L    67_A     0.337     0    0.009   0.087     0.708  100.000   98.810
LGA    S    68_A      S    68_A     0.320     0    0.025   0.104     0.450  100.000  100.000
LGA    A    69_A      A    69_A     0.513     0    0.036   0.041     0.823   92.857   92.381
LGA    D    70_A      D    70_A     0.723     0    0.090   0.199     1.579   95.238   88.393
LGA    D    71_A      D    71_A     0.335     0    0.024   0.137     0.536  100.000   97.619
LGA    I    72_A      I    72_A     0.146     0    0.029   0.117     0.302  100.000  100.000
LGA    A    73_A      A    73_A     0.258     0    0.012   0.018     0.424  100.000  100.000
LGA    D    74_A      D    74_A     0.157     0    0.036   0.122     0.578  100.000   98.810
LGA    V    75_A      V    75_A     0.065     0    0.026   0.070     0.148  100.000  100.000
LGA    A    76_A      A    76_A     0.059     0    0.028   0.033     0.231  100.000  100.000
LGA    S    77_A      S    77_A     0.168     0    0.019   0.647     2.235  100.000   94.127
LGA    Y    78_A      Y    78_A     0.106     0    0.007   0.041     0.230  100.000  100.000
LGA    V    79_A      V    79_A     0.157     0    0.020   0.048     0.261  100.000  100.000
LGA    L    80_A      L    80_A     0.404     0    0.039   1.366     3.037  100.000   85.000
LGA    D    81_A      D    81_A     0.425     0    0.013   0.134     1.034  100.000   95.298
LGA    Q    82_A      Q    82_A     0.257     0    0.035   0.088     0.425  100.000  100.000
LGA    S    83_A      S    83_A     0.218     0    0.019   0.506     2.110  100.000   94.127
LGA    E    84_A      E    84_A     0.695     0    0.044   0.860     5.099   92.857   72.646
LGA    K    85_A      K    85_A     0.939     0    0.143   0.661     2.222   88.214   82.646
LGA    G    86_A      G    86_A     1.054     0    0.498   0.498     3.422   75.833   75.833
LGA    W    87_A      W    87_A     0.214     0    0.496   0.371     1.237   92.976   97.993
LGA    Q    88_A      Q    88_A     3.074     0    0.167   1.088     5.755   47.381   43.492
LGA    G    89_A      G    89_A     4.371     0    0.704   0.704     4.639   37.262   37.262

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     626    626  100.00                89
SUMMARY(RMSD_GDC):     0.716          0.771                  1.059           94.302   91.524

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   89    4.0     87    0.72    96.348    97.019    10.658

LGA_LOCAL      RMSD:   0.716  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.716  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   0.716  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.433148 * X  +   0.886892 * Y  +  -0.160639 * Z  +  27.170660
  Y_new =  -0.684783 * X  +   0.439701 * Y  +   0.581150 * Z  + -43.677353
  Z_new =   0.586051 * X  +  -0.141721 * Y  +   0.797784 * Z  +  13.798205 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.006799 -0.626176 -0.175809   [DEG:  -57.6853  -35.8772  -10.0731 ]
ZXZ: -2.871911  0.647185  1.808065   [DEG: -164.5484   37.0810  103.5945 ]
 
# END of job
