
#######################################################
#                                                     #
#                        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   89 (  636),  selected   89 , name one
# Molecule2: number of CA atoms   89 (  636),  selected   89 , 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:    89       1_A - 89_A        1.02     1.02
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        1.02     1.02
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        0.82     1.03
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        0.91     1.03
  LCS_AVERAGE:     98.88

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   89
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     88   89   89      3    3    5   19   66   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     88   89   89      3    3    5    6    6   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     88   89   89     49   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     88   89   89     52   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     88   89   89     71   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     88   89   89     61   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     88   89   89     61   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     88   89   89     61   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     88   89   89     61   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     88   89   89     36   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     88   89   89     30   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     88   89   89     73   85   85   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     88   89   89      0    5    9   85   86   86   87   88   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     88   89   89      2    3    3   15   23   31   85   87   88   89   89   89   89   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A:  99.63  (  98.88  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     73     85     85     85     86     86     87     88     88     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  82.02  95.51  95.51  95.51  96.63  96.63  97.75  98.88  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.38   0.38   0.38   0.51   0.51   0.67   0.82   0.82   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02
GDT RMS_ALL_AT   1.04   1.04   1.04   1.04   1.03   1.03   1.03   1.03   1.03   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02   1.02

# Checking swapping
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E    84_A      E    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     4.396     0    0.118   0.118     4.396   53.214   53.214
LGA    S     2_A      S     2_A     3.961     0    0.027   0.689     6.592   43.690   34.206
LGA    A     3_A      A     3_A     0.868     0    0.389   0.405     1.990   88.214   85.143
LGA    D     4_A      D     4_A     0.334     0    0.036   0.074     0.639   97.619   97.619
LGA    L     5_A      L     5_A     0.279     0    0.082   0.072     0.558  100.000   98.810
LGA    A     6_A      A     6_A     0.671     0    0.042   0.051     0.942   92.857   92.381
LGA    H     7_A      H     7_A     0.457     0    0.053   0.090     0.514   97.619   97.143
LGA    G     8_A      G     8_A     0.189     0    0.022   0.022     0.325  100.000  100.000
LGA    G     9_A      G     9_A     0.243     0    0.029   0.029     0.243  100.000  100.000
LGA    Q    10_A      Q    10_A     0.238     0    0.036   0.201     0.817  100.000   98.942
LGA    V    11_A      V    11_A     0.236     0    0.028   0.036     0.345  100.000  100.000
LGA    F    12_A      F    12_A     0.113     0    0.017   0.050     0.240  100.000  100.000
LGA    S    13_A      S    13_A     0.264     0    0.024   0.630     1.808  100.000   95.476
LGA    A    14_A      A    14_A     0.415     0    0.041   0.063     0.619   97.619   98.095
LGA    N    15_A      N    15_A     0.473     0    0.035   0.064     0.789   97.619   94.048
LGA    C    16_A      C    16_A     0.173     0    0.038   0.094     0.502  100.000   98.413
LGA    A    17_A      A    17_A     0.147     0    0.066   0.074     0.355  100.000  100.000
LGA    A    18_A      A    18_A     0.410     0    0.024   0.030     0.556  100.000   98.095
LGA    C    19_A      C    19_A     0.162     0    0.020   0.051     0.348  100.000  100.000
LGA    H    20_A      H    20_A     0.095     0    0.037   0.116     0.645  100.000   98.095
LGA    L    21_A      L    21_A     0.258     0    0.036   0.113     0.387  100.000  100.000
LGA    G    22_A      G    22_A     0.339     0    0.105   0.105     0.607   97.619   97.619
LGA    G    23_A      G    23_A     0.205     0    0.011   0.011     0.263  100.000  100.000
LGA    R    24_A      R    24_A     0.243     0    0.034   1.401     4.627  100.000   82.251
LGA    N    25_A      N    25_A     0.179     0    0.034   0.061     0.283  100.000  100.000
LGA    V    26_A      V    26_A     0.501     0    0.021   0.025     0.641   92.857   91.837
LGA    V    27_A      V    27_A     0.619     0    0.033   0.067     0.844   90.476   90.476
LGA    N    28_A      N    28_A     0.372     0    0.028   0.062     0.472  100.000  100.000
LGA    P    29_A      P    29_A     0.434     0    0.041   0.041     0.669   97.619   95.918
LGA    A    30_A      A    30_A     0.540     0    0.050   0.047     0.738   92.857   92.381
LGA    K    31_A      K    31_A     0.491     0    0.058   0.123     1.105   97.619   92.646
LGA    T    32_A      T    32_A     0.293     0    0.021   0.078     0.335  100.000  100.000
LGA    L    33_A      L    33_A     0.038     0    0.018   0.106     0.338  100.000  100.000
LGA    Q    34_A      Q    34_A     0.102     0    0.033   0.948     4.242  100.000   82.698
LGA    K    35_A      K    35_A     0.235     0    0.017   0.430     2.683  100.000   88.995
LGA    A    36_A      A    36_A     0.298     0    0.048   0.059     0.488  100.000  100.000
LGA    D    37_A      D    37_A     0.368     0    0.012   0.119     0.775  100.000   97.619
LGA    L    38_A      L    38_A     0.293     0    0.027   0.133     0.424  100.000  100.000
LGA    D    39_A      D    39_A     0.291     0    0.025   0.150     0.537  100.000   98.810
LGA    Q    40_A      Q    40_A     0.506     0    0.045   0.089     1.230   92.857   88.519
LGA    Y    41_A      Y    41_A     0.620     0    0.029   0.092     0.779   90.476   90.476
LGA    G    42_A      G    42_A     0.592     0    0.022   0.022     0.592   90.476   90.476
LGA    M    43_A      M    43_A     0.399     0    0.062   0.120     0.652  100.000   97.619
LGA    A    44_A      A    44_A     0.572     0    0.021   0.030     0.647   90.476   90.476
LGA    S    45_A      S    45_A     0.421     0    0.049   0.045     0.446  100.000  100.000
LGA    I    46_A      I    46_A     0.337     0    0.029   0.656     1.937  100.000   95.417
LGA    E    47_A      E    47_A     0.571     0    0.070   0.183     2.875   97.619   81.376
LGA    A    48_A      A    48_A     0.337     0    0.019   0.028     0.418  100.000  100.000
LGA    I    49_A      I    49_A     0.286     0    0.024   0.045     0.369  100.000  100.000
LGA    T    50_A      T    50_A     0.328     0    0.047   1.126     2.343  100.000   88.571
LGA    T    51_A      T    51_A     0.323     0    0.012   0.050     0.618  100.000   98.639
LGA    Q    52_A      Q    52_A     0.272     0    0.024   0.761     2.415  100.000   90.899
LGA    V    53_A      V    53_A     0.137     0    0.032   0.051     0.228  100.000  100.000
LGA    T    54_A      T    54_A     0.208     0    0.046   0.100     0.382  100.000  100.000
LGA    N    55_A      N    55_A     0.207     0    0.020   0.140     0.720  100.000   98.810
LGA    G    56_A      G    56_A     0.194     0    0.041   0.041     0.310  100.000  100.000
LGA    K    57_A      K    57_A     0.340     0    0.036   0.201     1.070  100.000   93.704
LGA    G    58_A      G    58_A     0.561     0    0.069   0.069     0.566   95.238   95.238
LGA    A    59_A      A    59_A     0.345     0    0.033   0.048     0.408  100.000  100.000
LGA    M    60_A      M    60_A     0.450     0    0.028   0.194     0.492  100.000  100.000
LGA    P    61_A      P    61_A     0.704     0    0.026   0.157     0.973   90.476   90.476
LGA    A    62_A      A    62_A     0.601     0    0.070   0.081     0.871   90.476   90.476
LGA    F    63_A      F    63_A     0.188     0    0.072   0.106     0.688  100.000   96.537
LGA    G    64_A      G    64_A     0.287     0    0.047   0.047     0.600   97.619   97.619
LGA    S    65_A      S    65_A     0.716     0    0.055   0.640     3.002   90.595   83.810
LGA    K    66_A      K    66_A     0.388     0    0.053   0.753     2.644  100.000   91.323
LGA    L    67_A      L    67_A     0.387     0    0.008   0.054     0.537   97.619   98.810
LGA    S    68_A      S    68_A     0.433     0    0.020   0.088     0.544  100.000   98.413
LGA    A    69_A      A    69_A     0.318     0    0.023   0.022     0.441  100.000  100.000
LGA    D    70_A      D    70_A     0.393     0    0.078   0.262     1.446  100.000   95.298
LGA    D    71_A      D    71_A     0.274     0    0.022   0.173     0.810  100.000   96.429
LGA    I    72_A      I    72_A     0.278     0    0.012   0.059     0.370  100.000  100.000
LGA    A    73_A      A    73_A     0.243     0    0.014   0.017     0.287  100.000  100.000
LGA    D    74_A      D    74_A     0.174     0    0.039   0.049     0.261  100.000  100.000
LGA    V    75_A      V    75_A     0.241     0    0.017   0.027     0.389  100.000  100.000
LGA    A    76_A      A    76_A     0.421     0    0.015   0.020     0.547   97.619   96.190
LGA    S    77_A      S    77_A     0.427     0    0.017   0.049     0.704  100.000   96.825
LGA    Y    78_A      Y    78_A     0.258     0    0.021   0.048     0.300  100.000  100.000
LGA    V    79_A      V    79_A     0.282     0    0.021   0.043     0.423  100.000  100.000
LGA    L    80_A      L    80_A     0.239     0    0.051   0.108     0.696  100.000   98.810
LGA    D    81_A      D    81_A     0.162     0    0.021   0.162     0.856  100.000   96.429
LGA    Q    82_A      Q    82_A     0.291     0    0.019   0.199     0.638  100.000   98.942
LGA    S    83_A      S    83_A     0.094     0    0.021   0.531     2.029  100.000   94.127
LGA    E    84_A      E    84_A     0.463     0    0.011   0.901     4.580   95.238   77.831
LGA    K    85_A      K    85_A     0.889     0    0.144   0.177     1.542   86.071   88.519
LGA    G    86_A      G    86_A     0.921     0    0.466   0.466     3.096   78.095   78.095
LGA    W    87_A      W    87_A     0.382     0    0.533   0.396     1.606   88.452   96.701
LGA    Q    88_A      Q    88_A     3.227     0    0.224   0.740     7.112   38.929   31.640
LGA    G    89_A      G    89_A     5.949     0    0.142   0.142     7.830   19.286   19.286

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       89     356    356  100.00     636    636  100.00                89
SUMMARY(RMSD_GDC):     1.022          1.065                  1.199           95.114   92.851

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.82    97.472    98.324     9.577

LGA_LOCAL      RMSD:   0.819  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.030  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   1.022  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.500106 * X  +  -0.738732 * Y  +   0.451851 * Z  +  -2.103617
  Y_new =   0.764086 * X  +   0.621984 * Y  +   0.171198 * Z  + -15.557776
  Z_new =  -0.407513 * X  +   0.259636 * Y  +   0.875513 * Z  +   0.452733 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.991253  0.419729  0.288291   [DEG:   56.7946   24.0487   16.5179 ]
ZXZ:  1.932965  0.504301 -1.003527   [DEG:  110.7507   28.8943  -57.4979 ]
 
# END of job
