
#######################################################
#                                                     #
#                        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        2.04     2.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.30     2.07
  LCS_AVERAGE:     97.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.94     2.11
  LCS_AVERAGE:     95.56

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      4    4   87      3    3    4    5    5    5    6    7    8   10   11   12   33   34   36   69   77   85   87   87 
LCS_GDT     S     2_A     S     2_A      4   86   87      3    3    4    5   15   29   41   64   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A     3_A     A     3_A     85   86   87      3    3    4    5    5    6   12   39   67   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D     4_A     D     4_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     L     5_A     L     5_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A     6_A     A     6_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     H     7_A     H     7_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G     8_A     G     8_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K     9_A     K     9_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    10_A     A    10_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     I    11_A     I    11_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     F    12_A     F    12_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    13_A     A    13_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    14_A     G    14_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    15_A     N    15_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     C    16_A     C    16_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    17_A     A    17_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    18_A     A    18_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     C    19_A     C    19_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     H    20_A     H    20_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    21_A     N    21_A     85   86   87     66   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    22_A     G    22_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    23_A     G    23_A     85   86   87     59   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     L    24_A     L    24_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    25_A     N    25_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    26_A     A    26_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     I    27_A     I    27_A     85   86   87     14   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    28_A     N    28_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     P    29_A     P    29_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     S    30_A     S    30_A     85   86   87     61   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K    31_A     K    31_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     T    32_A     T    32_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     L    33_A     L    33_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K    34_A     K    34_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     M    35_A     M    35_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    36_A     A    36_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D    37_A     D    37_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     L    38_A     L    38_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     E    39_A     E    39_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    40_A     A    40_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    41_A     N    41_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    42_A     G    42_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K    43_A     K    43_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    44_A     N    44_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     S    45_A     S    45_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     V    46_A     V    46_A     85   86   87     66   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    47_A     A    47_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    48_A     A    48_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     I    49_A     I    49_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     V    50_A     V    50_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    51_A     A    51_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     I    53_A     I    53_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     T    54_A     T    54_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    55_A     N    55_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    56_A     G    56_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     N    57_A     N    57_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    58_A     G    58_A     85   86   87      6   77   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    59_A     A    59_A     85   86   87     34   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     M    60_A     M    60_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     P    61_A     P    61_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    62_A     G    62_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     F    63_A     F    63_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K    64_A     K    64_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    65_A     G    65_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     R    66_A     R    66_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     I    67_A     I    67_A     85   86   87     26   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     S    68_A     S    68_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D    69_A     D    69_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     S    70_A     S    70_A     85   86   87     55   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D    71_A     D    71_A     85   86   87     55   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     M    72_A     M    72_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     E    73_A     E    73_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D    74_A     D    74_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     V    75_A     V    75_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    76_A     A    76_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    77_A     A    77_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     V    79_A     V    79_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     L    80_A     L    80_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     D    81_A     D    81_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     A    83_A     A    83_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     E    84_A     E    84_A     85   86   87     69   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     K    85_A     K    85_A     85   86   87     66   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     G    86_A     G    86_A     85   86   87      4   68   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_GDT     W    87_A     W    87_A     85   86   87      8   34   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   87   87 
LCS_AVERAGE  LCS_A:  97.78  (  95.56   97.77  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     69     81     84     84     84     84     84     84     85     86     86     86     86     86     86     86     86     86     87     87 
GDT PERCENT_AT  79.31  93.10  96.55  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  98.85  98.85 100.00 100.00
GDT RMS_LOCAL    0.29   0.37   0.46   0.46   0.46   0.46   0.46   0.46   1.04   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   2.04   2.04
GDT RMS_ALL_AT   2.14   2.15   2.15   2.15   2.15   2.15   2.15   2.15   2.09   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.04   2.04

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  Y    78_A      Y    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.704     0    0.107   0.107    17.716    0.000    0.000
LGA    S     2_A      S     2_A     8.903     0    0.053   0.199    11.312    2.619    5.635
LGA    A     3_A      A     3_A     7.715     0    0.639   0.596     9.291   14.881   12.190
LGA    D     4_A      D     4_A     0.477     0    0.582   1.356     5.691   87.500   64.583
LGA    L     5_A      L     5_A     0.359     0    0.094   0.127     0.577  100.000   96.429
LGA    A     6_A      A     6_A     0.432     0    0.038   0.047     0.584  100.000   98.095
LGA    H     7_A      H     7_A     0.379     0    0.051   0.063     0.814  100.000   95.238
LGA    G     8_A      G     8_A     0.171     0    0.034   0.034     0.295  100.000  100.000
LGA    K     9_A      K     9_A     0.238     0    0.029   0.070     0.700  100.000   97.884
LGA    A    10_A      A    10_A     0.454     0    0.039   0.047     0.568  100.000   98.095
LGA    I    11_A      I    11_A     0.285     0    0.034   0.673     2.156  100.000   94.405
LGA    F    12_A      F    12_A     0.196     0    0.012   0.065     0.444  100.000  100.000
LGA    A    13_A      A    13_A     0.354     0    0.027   0.038     0.423  100.000  100.000
LGA    G    14_A      G    14_A     0.269     0    0.026   0.026     0.280  100.000  100.000
LGA    N    15_A      N    15_A     0.147     0    0.019   0.041     0.300  100.000  100.000
LGA    C    16_A      C    16_A     0.125     0    0.056   0.104     0.229  100.000  100.000
LGA    A    17_A      A    17_A     0.118     0    0.043   0.057     0.281  100.000  100.000
LGA    A    18_A      A    18_A     0.372     0    0.033   0.031     0.600  100.000   98.095
LGA    C    19_A      C    19_A     0.402     0    0.028   0.091     0.716   97.619   95.238
LGA    H    20_A      H    20_A     0.344     0    0.145   0.158     0.513   97.619   99.048
LGA    N    21_A      N    21_A     0.599     0    0.023   0.326     1.319   95.238   91.726
LGA    G    22_A      G    22_A     0.445     0    0.067   0.067     0.585   97.619   97.619
LGA    G    23_A      G    23_A     0.545     0    0.055   0.055     0.569   95.238   95.238
LGA    L    24_A      L    24_A     0.119     0    0.077   0.134     0.742  100.000   97.619
LGA    N    25_A      N    25_A     0.285     0    0.016   0.087     0.408  100.000  100.000
LGA    A    26_A      A    26_A     0.349     0    0.138   0.140     0.911   97.619   98.095
LGA    I    27_A      I    27_A     0.694     0    0.036   0.627     1.627   90.476   88.274
LGA    N    28_A      N    28_A     0.532     0    0.034   0.057     0.832   90.476   90.476
LGA    P    29_A      P    29_A     0.444     0    0.014   0.047     0.647   95.238   94.558
LGA    S    30_A      S    30_A     0.725     0    0.079   0.090     1.275   90.476   87.460
LGA    K    31_A      K    31_A     0.560     0    0.033   0.883     2.726   95.238   87.884
LGA    T    32_A      T    32_A     0.154     0    0.013   0.049     0.245  100.000  100.000
LGA    L    33_A      L    33_A     0.074     0    0.031   0.087     0.293  100.000  100.000
LGA    K    34_A      K    34_A     0.109     0    0.011   0.231     1.755  100.000   93.862
LGA    M    35_A      M    35_A     0.196     0    0.060   0.098     0.328  100.000  100.000
LGA    A    36_A      A    36_A     0.108     0    0.025   0.033     0.142  100.000  100.000
LGA    D    37_A      D    37_A     0.053     0    0.016   0.085     0.227  100.000  100.000
LGA    L    38_A      L    38_A     0.124     0    0.034   0.059     0.268  100.000  100.000
LGA    E    39_A      E    39_A     0.028     0    0.061   0.860     3.976  100.000   83.810
LGA    A    40_A      A    40_A     0.141     0    0.024   0.036     0.261  100.000  100.000
LGA    N    41_A      N    41_A     0.361     0    0.027   0.156     0.772  100.000   98.810
LGA    G    42_A      G    42_A     0.360     0    0.033   0.033     0.450  100.000  100.000
LGA    K    43_A      K    43_A     0.428     0    0.039   0.100     1.325   97.619   94.762
LGA    N    44_A      N    44_A     0.275     0    0.142   0.120     0.820   97.619   97.619
LGA    S    45_A      S    45_A     0.379     0    0.046   0.086     0.546  100.000   96.825
LGA    V    46_A      V    46_A     0.543     0    0.034   0.083     0.932   95.238   93.197
LGA    A    47_A      A    47_A     0.429     0    0.017   0.025     0.640  100.000   98.095
LGA    A    48_A      A    48_A     0.370     0    0.017   0.032     0.514  100.000   98.095
LGA    I    49_A      I    49_A     0.285     0    0.056   0.077     0.421  100.000  100.000
LGA    V    50_A      V    50_A     0.244     0    0.082   0.079     0.451  100.000  100.000
LGA    A    51_A      A    51_A     0.359     0    0.034   0.033     0.544   97.619   96.190
LGA    Q    52_A      Q    52_A     0.328     0    0.005   0.276     0.966  100.000   95.767
LGA    I    53_A      I    53_A     0.262     0    0.030   0.086     0.611  100.000   98.810
LGA    T    54_A      T    54_A     0.312     0    0.015   0.072     0.502  100.000   98.639
LGA    N    55_A      N    55_A     0.264     0    0.021   0.122     0.396  100.000  100.000
LGA    G    56_A      G    56_A     0.151     0    0.020   0.020     0.200  100.000  100.000
LGA    N    57_A      N    57_A     0.251     0    0.075   0.183     0.777  100.000   96.429
LGA    G    58_A      G    58_A     1.136     0    0.049   0.049     1.136   85.952   85.952
LGA    A    59_A      A    59_A     0.671     0    0.085   0.103     0.828   90.476   92.381
LGA    M    60_A      M    60_A     0.325     0    0.022   0.235     0.858  100.000   97.619
LGA    P    61_A      P    61_A     0.456     0    0.035   0.037     0.593  100.000   95.918
LGA    G    62_A      G    62_A     0.242     0    0.055   0.055     0.457  100.000  100.000
LGA    F    63_A      F    63_A     0.362     0    0.053   0.079     0.366  100.000  100.000
LGA    K    64_A      K    64_A     0.348     0    0.049   0.564     2.063  100.000   93.069
LGA    G    65_A      G    65_A     0.273     0    0.047   0.047     0.351  100.000  100.000
LGA    R    66_A      R    66_A     0.416     0    0.080   1.051     3.533   97.619   81.775
LGA    I    67_A      I    67_A     0.744     0    0.115   1.111     3.000   92.857   81.964
LGA    S    68_A      S    68_A     0.339     0    0.026   0.061     0.414  100.000  100.000
LGA    D    69_A      D    69_A     0.265     0    0.005   0.283     1.189  100.000   97.679
LGA    S    70_A      S    70_A     0.536     0    0.025   0.673     2.272   92.857   87.778
LGA    D    71_A      D    71_A     0.713     0    0.027   0.205     1.591   90.476   86.012
LGA    M    72_A      M    72_A     0.431     0    0.028   0.142     0.512   97.619   97.619
LGA    E    73_A      E    73_A     0.338     0    0.047   0.712     3.161  100.000   85.767
LGA    D    74_A      D    74_A     0.244     0    0.010   0.061     0.310  100.000  100.000
LGA    V    75_A      V    75_A     0.304     0    0.022   0.256     0.859  100.000   97.279
LGA    A    76_A      A    76_A     0.501     0    0.009   0.021     0.695   95.238   94.286
LGA    A    77_A      A    77_A     0.459     0    0.038   0.045     0.558  100.000   98.095
LGA    Y    78_A      Y    78_A     0.208     0    0.011   0.063     0.488  100.000  100.000
LGA    V    79_A      V    79_A     0.280     0    0.012   0.032     0.381  100.000  100.000
LGA    L    80_A      L    80_A     0.201     0    0.069   1.321     2.773  100.000   85.893
LGA    D    81_A      D    81_A     0.204     0    0.037   0.135     0.922  100.000   96.429
LGA    Q    82_A      Q    82_A     0.067     0    0.019   0.985     2.752  100.000   92.116
LGA    A    83_A      A    83_A     0.131     0    0.005   0.014     0.167  100.000  100.000
LGA    E    84_A      E    84_A     0.260     0    0.047   1.202     5.091  100.000   75.291
LGA    K    85_A      K    85_A     0.687     0    0.059   0.902     2.846   92.857   83.175
LGA    G    86_A      G    86_A     1.351     0    0.439   0.439     3.537   72.024   72.024
LGA    W    87_A      W    87_A     1.764     0    0.066   0.899     5.152   57.262   61.395

# 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):     2.036          2.024                  1.840           94.267   91.544

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.46    96.264    97.198    15.095

LGA_LOCAL      RMSD:   0.456  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.152  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.036  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.091106 * X  +   0.336543 * Y  +  -0.937250 * Z  +   9.794720
  Y_new =   0.613919 * X  +  -0.760024 * Y  +  -0.213229 * Z  +  30.994165
  Z_new =  -0.784094 * X  +  -0.555969 * Y  +  -0.275854 * Z  +  85.536018 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.423470  0.901234 -2.031373   [DEG:   81.5588   51.6369 -116.3891 ]
ZXZ: -1.347099  1.850274 -2.187577   [DEG:  -77.1831  106.0129 -125.3389 ]
 
# END of job
