
#######################################################
#                                                     #
#                        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        0.95     0.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.95     0.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    89       1_A - 89_A        0.95     0.95
  LCS_AVERAGE:    100.00

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     89   89   89      3    4   18   36   84   86   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A     89   89   89      3    4    4    6   10   42   86   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     89   89   89     60   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     89   89   89     77   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     89   89   89     64   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     89   89   89     75   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     89   89   89     73   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     89   89   89     51   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     89   89   89     17   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     89   89   89     78   85   85   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A     89   89   89      0    7   76   86   86   87   87   88   89   89   89   89   89   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A     89   89   89      0   11   23   37   76   87   87   87   89   89   89   89   89   89   89   89   89   89   89   89 
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     78     85     85     86     86     87     87     88     89     89     89     89     89     89     89     89     89     89     89     89 
GDT PERCENT_AT  87.64  95.51  95.51  96.63  96.63  97.75  97.75  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.33   0.33   0.44   0.44   0.62   0.62   0.85   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95
GDT RMS_ALL_AT   0.97   0.97   0.97   0.96   0.96   0.97   0.97   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  D    39_A      D    39_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  D    70_A      D    70_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  D    74_A      D    74_A
#   possible swapping detected:  D    81_A      D    81_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     4.354     0    0.088   0.088     4.354   50.833   50.833
LGA    S     2_A      S     2_A     4.985     0    0.022   0.723     7.717   34.524   25.873
LGA    A     3_A      A     3_A     0.417     0    0.410   0.427     1.670   90.833   87.238
LGA    D     4_A      D     4_A     0.399     0    0.069   0.118     0.552   97.619   98.810
LGA    L     5_A      L     5_A     0.374     0    0.034   0.044     0.547  100.000   98.810
LGA    A     6_A      A     6_A     0.755     0    0.036   0.038     1.108   90.476   88.667
LGA    H     7_A      H     7_A     0.513     0    0.027   0.092     0.869   95.238   92.381
LGA    G     8_A      G     8_A     0.241     0    0.016   0.016     0.350  100.000  100.000
LGA    G     9_A      G     9_A     0.261     0    0.025   0.025     0.263  100.000  100.000
LGA    Q    10_A      Q    10_A     0.195     0    0.004   0.105     0.581  100.000   97.884
LGA    V    11_A      V    11_A     0.219     0    0.011   0.026     0.339  100.000  100.000
LGA    F    12_A      F    12_A     0.160     0    0.016   0.025     0.238  100.000  100.000
LGA    S    13_A      S    13_A     0.276     0    0.007   0.648     1.786   97.619   93.889
LGA    A    14_A      A    14_A     0.415     0    0.030   0.038     0.568   97.619   98.095
LGA    N    15_A      N    15_A     0.623     0    0.043   0.068     1.011   92.857   90.536
LGA    C    16_A      C    16_A     0.316     0    0.035   0.068     0.453  100.000  100.000
LGA    A    17_A      A    17_A     0.298     0    0.042   0.045     0.403  100.000  100.000
LGA    A    18_A      A    18_A     0.591     0    0.037   0.040     0.745   92.857   92.381
LGA    C    19_A      C    19_A     0.407     0    0.070   0.092     0.664  100.000   96.825
LGA    H    20_A      H    20_A     0.154     0    0.041   0.070     0.735  100.000   97.143
LGA    L    21_A      L    21_A     0.172     0    0.042   0.118     0.645  100.000   97.619
LGA    G    22_A      G    22_A     0.289     0    0.058   0.058     0.409  100.000  100.000
LGA    G    23_A      G    23_A     0.241     0    0.017   0.017     0.376  100.000  100.000
LGA    R    24_A      R    24_A     0.249     0    0.049   1.097     6.072   97.619   78.095
LGA    N    25_A      N    25_A     0.132     0    0.044   0.064     0.296  100.000  100.000
LGA    V    26_A      V    26_A     0.213     0    0.025   0.056     0.356  100.000  100.000
LGA    V    27_A      V    27_A     0.276     0    0.015   0.028     0.330  100.000  100.000
LGA    N    28_A      N    28_A     0.274     0    0.052   0.084     0.397  100.000  100.000
LGA    P    29_A      P    29_A     0.410     0    0.028   0.050     0.613  100.000   95.918
LGA    A    30_A      A    30_A     0.390     0    0.022   0.026     0.437  100.000  100.000
LGA    K    31_A      K    31_A     0.260     0    0.012   0.124     0.391  100.000  100.000
LGA    T    32_A      T    32_A     0.052     0    0.012   0.040     0.121  100.000  100.000
LGA    L    33_A      L    33_A     0.177     0    0.028   0.119     0.348  100.000  100.000
LGA    Q    34_A      Q    34_A     0.265     0    0.014   0.918     4.280  100.000   83.492
LGA    K    35_A      K    35_A     0.383     0    0.012   0.446     2.355  100.000   92.910
LGA    A    36_A      A    36_A     0.254     0    0.034   0.036     0.364  100.000  100.000
LGA    D    37_A      D    37_A     0.121     0    0.014   0.038     0.460  100.000  100.000
LGA    L    38_A      L    38_A     0.179     0    0.005   0.135     0.428  100.000  100.000
LGA    D    39_A      D    39_A     0.360     0    0.007   0.070     0.673  100.000   98.810
LGA    Q    40_A      Q    40_A     0.368     0    0.011   0.115     0.857   97.619   94.709
LGA    Y    41_A      Y    41_A     0.269     0    0.037   0.100     0.517  100.000   99.206
LGA    G    42_A      G    42_A     0.368     0    0.026   0.026     0.374  100.000  100.000
LGA    M    43_A      M    43_A     0.199     0    0.017   0.148     0.705  100.000   97.619
LGA    A    44_A      A    44_A     0.331     0    0.022   0.021     0.442  100.000  100.000
LGA    S    45_A      S    45_A     0.217     0    0.030   0.036     0.291  100.000  100.000
LGA    I    46_A      I    46_A     0.250     0    0.024   0.666     2.035  100.000   95.595
LGA    E    47_A      E    47_A     0.360     0    0.074   0.179     2.696  100.000   84.286
LGA    A    48_A      A    48_A     0.151     0    0.013   0.014     0.263  100.000  100.000
LGA    I    49_A      I    49_A     0.155     0    0.011   0.069     0.203  100.000  100.000
LGA    T    50_A      T    50_A     0.309     0    0.039   1.118     2.551  100.000   88.639
LGA    T    51_A      T    51_A     0.311     0    0.008   0.023     0.544  100.000   97.279
LGA    Q    52_A      Q    52_A     0.176     0    0.036   0.242     1.376  100.000   96.878
LGA    V    53_A      V    53_A     0.092     0    0.005   0.050     0.137  100.000  100.000
LGA    T    54_A      T    54_A     0.169     0    0.012   0.052     0.213  100.000  100.000
LGA    N    55_A      N    55_A     0.144     0    0.021   0.185     0.691  100.000   98.810
LGA    G    56_A      G    56_A     0.515     0    0.024   0.024     0.540   92.857   92.857
LGA    K    57_A      K    57_A     0.467     0    0.042   0.089     0.688   97.619   93.651
LGA    G    58_A      G    58_A     0.454     0    0.052   0.052     0.638   97.619   97.619
LGA    A    59_A      A    59_A     0.293     0    0.021   0.024     0.322  100.000  100.000
LGA    M    60_A      M    60_A     0.309     0    0.022   0.627     2.165  100.000   91.190
LGA    P    61_A      P    61_A     0.321     0    0.024   0.151     0.413  100.000  100.000
LGA    A    62_A      A    62_A     0.240     0    0.046   0.046     0.474  100.000  100.000
LGA    F    63_A      F    63_A     0.289     0    0.045   0.113     0.785  100.000   94.805
LGA    G    64_A      G    64_A     0.273     0    0.030   0.030     0.632   97.619   97.619
LGA    S    65_A      S    65_A     0.805     0    0.020   0.643     3.171   88.214   82.222
LGA    K    66_A      K    66_A     0.578     0    0.047   0.794     2.770   92.857   84.127
LGA    L    67_A      L    67_A     0.555     0    0.012   0.029     0.694   90.476   95.238
LGA    S    68_A      S    68_A     0.692     0    0.019   0.035     0.801   90.476   90.476
LGA    A    69_A      A    69_A     0.350     0    0.006   0.009     0.480  100.000  100.000
LGA    D    70_A      D    70_A     0.523     0    0.025   0.166     1.447   97.619   92.917
LGA    D    71_A      D    71_A     0.458     0    0.028   0.089     0.475  100.000  100.000
LGA    I    72_A      I    72_A     0.314     0    0.008   0.060     0.547  100.000   98.810
LGA    A    73_A      A    73_A     0.386     0    0.005   0.017     0.415  100.000  100.000
LGA    D    74_A      D    74_A     0.313     0    0.008   0.035     0.505  100.000   98.810
LGA    V    75_A      V    75_A     0.190     0    0.013   0.094     0.378  100.000  100.000
LGA    A    76_A      A    76_A     0.371     0    0.018   0.019     0.424  100.000  100.000
LGA    S    77_A      S    77_A     0.422     0    0.011   0.018     0.505  100.000   98.413
LGA    Y    78_A      Y    78_A     0.362     0    0.011   0.029     0.398  100.000  100.000
LGA    V    79_A      V    79_A     0.236     0    0.009   0.029     0.328  100.000  100.000
LGA    L    80_A      L    80_A     0.323     0    0.009   0.076     0.768  100.000   98.810
LGA    D    81_A      D    81_A     0.362     0    0.000   0.072     0.420  100.000  100.000
LGA    Q    82_A      Q    82_A     0.345     0    0.017   0.072     0.492  100.000  100.000
LGA    S    83_A      S    83_A     0.205     0    0.029   0.552     2.174  100.000   94.127
LGA    E    84_A      E    84_A     0.434     0    0.034   0.131     1.227   95.238   90.582
LGA    K    85_A      K    85_A     0.815     0    0.107   0.099     1.311   88.214   89.471
LGA    G    86_A      G    86_A     0.801     0    0.493   0.493     3.096   78.095   78.095
LGA    W    87_A      W    87_A     0.381     0    0.503   0.398     1.641   90.833   95.340
LGA    Q    88_A      Q    88_A     2.765     0    0.683   0.710     7.084   50.833   38.466
LGA    G    89_A      G    89_A     4.223     0    0.684   0.684     4.650   37.262   37.262

# 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):     0.950          0.927                  1.127           95.748   93.709

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     88    0.85    97.753    98.527     9.286

LGA_LOCAL      RMSD:   0.848  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.954  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   0.950  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.239630 * X  +  -0.907167 * Y  +  -0.345869 * Z  +  -2.412463
  Y_new =  -0.530438 * X  +   0.176043 * Y  +  -0.829243 * Z  + -14.645128
  Z_new =   0.813150 * X  +   0.382174 * Y  +  -0.439011 * Z  +   2.260241 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.146481 -0.949543  2.425298   [DEG:  -65.6885  -54.4048  138.9594 ]
ZXZ: -0.395152  2.025294  1.131442   [DEG:  -22.6405  116.0408   64.8269 ]
 
# END of job
