
#######################################################
#                                                     #
#                        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        2.00     2.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.34     2.03
  LCS_AVERAGE:     97.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.99     2.07
  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    8    9   11   13   18   18   25   37   58   60   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   86   87      3    3    4    5    9   33   47   57   83   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   86   87      3    4    4    5    5    5   15   41   69   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   86   87     56   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   86   87     56   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   86   87     14   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   86   87     32   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   86   87     24   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   86   87     52   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   86   87     32   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   86   87     32   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   86   87     14   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   86   87     14   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   86   87     40   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   86   87     50   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   86   87     32   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   86   87     32   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   86   87      3   66   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   86   87     47   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   86   87     56   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   86   87     51   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   86   87     22   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   86   87      7   66   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   86   87     32   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   86   87     58   82   84   84   84   84   84   84   84   85   86   86   86   86   86   86   86   87   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     58     82     84     84     84     84     84     84     84     85     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  66.67  94.25  96.55  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  98.85 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.48   0.54   0.54   0.54   0.54   0.54   0.54   0.54   1.08   1.34   1.34   1.34   1.34   1.34   1.34   1.34   2.00   2.00   2.00
GDT RMS_ALL_AT   2.09   2.12   2.12   2.12   2.12   2.12   2.12   2.12   2.12   2.05   2.03   2.03   2.03   2.03   2.03   2.03   2.03   2.00   2.00   2.00

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    73_A      E    73_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    14.991     0    0.097   0.097    17.086    0.000    0.000
LGA    S     2_A      S     2_A     8.864     0    0.119   0.727    10.788    2.619    8.333
LGA    A     3_A      A     3_A     7.869     0    0.657   0.613     9.340   14.881   12.190
LGA    D     4_A      D     4_A     0.821     0    0.601   1.339     5.116   80.357   62.381
LGA    L     5_A      L     5_A     0.727     0    0.042   0.952     2.913   92.857   84.286
LGA    A     6_A      A     6_A     0.777     0    0.049   0.048     1.000   90.476   90.476
LGA    H     7_A      H     7_A     0.426     0    0.037   0.503     1.695   97.619   90.762
LGA    G     8_A      G     8_A     0.210     0    0.033   0.033     0.233  100.000  100.000
LGA    K     9_A      K     9_A     0.213     0    0.027   0.901     4.225  100.000   84.127
LGA    A    10_A      A    10_A     0.433     0    0.037   0.041     0.746  100.000   98.095
LGA    I    11_A      I    11_A     0.341     0    0.033   0.082     1.136  100.000   94.107
LGA    F    12_A      F    12_A     0.204     0    0.027   0.085     0.545  100.000   98.268
LGA    A    13_A      A    13_A     0.171     0    0.061   0.060     0.230  100.000  100.000
LGA    G    14_A      G    14_A     0.159     0    0.091   0.091     0.665   97.619   97.619
LGA    N    15_A      N    15_A     0.136     0    0.085   0.148     0.668   97.619   97.619
LGA    C    16_A      C    16_A     0.198     0    0.045   0.166     0.714  100.000   98.413
LGA    A    17_A      A    17_A     0.288     0    0.061   0.057     0.638  100.000   98.095
LGA    A    18_A      A    18_A     0.292     0    0.050   0.049     0.624  100.000   98.095
LGA    C    19_A      C    19_A     0.442     0    0.100   0.116     0.951   97.619   95.238
LGA    H    20_A      H    20_A     0.317     0    0.230   0.274     0.865   97.619   95.238
LGA    N    21_A      N    21_A     0.628     0    0.037   0.540     2.768   95.238   85.298
LGA    G    22_A      G    22_A     0.565     0    0.110   0.110     0.565   97.619   97.619
LGA    G    23_A      G    23_A     0.281     0    0.043   0.043     0.363  100.000  100.000
LGA    L    24_A      L    24_A     0.137     0    0.062   1.164     3.971  100.000   81.429
LGA    N    25_A      N    25_A     0.317     0    0.029   0.132     0.660  100.000   98.810
LGA    A    26_A      A    26_A     0.435     0    0.025   0.047     0.624   95.238   96.190
LGA    I    27_A      I    27_A     0.705     0    0.028   0.646     1.503   90.476   88.274
LGA    N    28_A      N    28_A     0.336     0    0.081   0.826     2.256   97.619   90.893
LGA    P    29_A      P    29_A     0.353     0    0.098   0.161     0.823   97.619   95.918
LGA    S    30_A      S    30_A     0.568     0    0.158   0.728     2.559   90.595   85.000
LGA    K    31_A      K    31_A     0.338     0    0.099   0.676     1.438  100.000   91.693
LGA    T    32_A      T    32_A     0.310     0    0.034   0.057     0.432  100.000  100.000
LGA    L    33_A      L    33_A     0.181     0    0.096   0.155     0.742  100.000   97.619
LGA    K    34_A      K    34_A     0.152     0    0.038   0.136     0.613  100.000   98.942
LGA    M    35_A      M    35_A     0.336     0    0.032   1.062     4.440  100.000   82.679
LGA    A    36_A      A    36_A     0.219     0    0.048   0.050     0.343  100.000  100.000
LGA    D    37_A      D    37_A     0.196     0    0.025   0.833     3.196  100.000   85.952
LGA    L    38_A      L    38_A     0.228     0    0.034   0.076     0.474  100.000  100.000
LGA    E    39_A      E    39_A     0.288     0    0.031   0.723     2.075  100.000   85.979
LGA    A    40_A      A    40_A     0.372     0    0.111   0.110     0.614   97.619   96.190
LGA    N    41_A      N    41_A     0.581     0    0.127   0.129     1.068   97.619   91.786
LGA    G    42_A      G    42_A     0.363     0    0.067   0.067     0.479  100.000  100.000
LGA    K    43_A      K    43_A     0.130     0    0.047   0.527     2.091  100.000   90.899
LGA    N    44_A      N    44_A     0.321     0    0.067   1.210     4.289  100.000   80.536
LGA    S    45_A      S    45_A     0.462     0    0.041   0.681     2.226  100.000   92.540
LGA    V    46_A      V    46_A     0.432     0    0.042   0.167     0.798  100.000   97.279
LGA    A    47_A      A    47_A     0.427     0    0.036   0.042     0.532  100.000   98.095
LGA    A    48_A      A    48_A     0.312     0    0.053   0.055     0.343  100.000  100.000
LGA    I    49_A      I    49_A     0.280     0    0.044   0.595     1.769  100.000   95.417
LGA    V    50_A      V    50_A     0.312     0    0.032   0.127     0.724  100.000   98.639
LGA    A    51_A      A    51_A     0.414     0    0.045   0.045     0.708   97.619   98.095
LGA    Q    52_A      Q    52_A     0.674     0    0.041   1.164     3.457   97.619   82.328
LGA    I    53_A      I    53_A     0.318     0    0.032   1.093     2.376  100.000   88.810
LGA    T    54_A      T    54_A     0.603     0    0.040   1.126     3.080   92.857   83.537
LGA    N    55_A      N    55_A     0.824     0    0.028   1.190     3.878   88.214   80.119
LGA    G    56_A      G    56_A     0.766     0    0.087   0.087     0.766   90.476   90.476
LGA    N    57_A      N    57_A     0.788     0    0.053   1.288     5.302   90.476   72.321
LGA    G    58_A      G    58_A     0.965     0    0.025   0.025     0.965   90.476   90.476
LGA    A    59_A      A    59_A     0.684     0    0.181   0.182     1.102   90.476   88.667
LGA    M    60_A      M    60_A     0.432     0    0.065   0.484     1.100   97.619   92.917
LGA    P    61_A      P    61_A     0.556     0    0.045   0.419     0.762   95.238   94.558
LGA    G    62_A      G    62_A     0.415     0    0.101   0.101     0.615   95.238   95.238
LGA    F    63_A      F    63_A     0.823     0    0.130   0.226     1.034   90.476   88.831
LGA    K    64_A      K    64_A     1.039     0    0.612   0.712     2.963   77.619   75.344
LGA    G    65_A      G    65_A     1.758     0    0.178   0.178     1.773   79.405   79.405
LGA    R    66_A      R    66_A     0.877     0    0.114   1.327     8.427   90.595   52.900
LGA    I    67_A      I    67_A     0.426     0    0.075   1.113     2.818   95.238   82.500
LGA    S    68_A      S    68_A     0.422     0    0.071   0.081     0.573   97.619   98.413
LGA    D    69_A      D    69_A     0.438     0    0.032   0.319     1.337   97.619   95.298
LGA    S    70_A      S    70_A     0.546     0    0.038   0.067     0.758   90.476   90.476
LGA    D    71_A      D    71_A     0.552     0    0.038   0.225     0.851   95.238   92.857
LGA    M    72_A      M    72_A     0.471     0    0.027   0.715     2.343  100.000   90.893
LGA    E    73_A      E    73_A     0.566     0    0.032   0.739     1.696   90.476   87.513
LGA    D    74_A      D    74_A     0.394     0    0.022   0.073     0.476  100.000  100.000
LGA    V    75_A      V    75_A     0.260     0    0.024   0.268     0.891  100.000   98.639
LGA    A    76_A      A    76_A     0.268     0    0.030   0.036     0.286  100.000  100.000
LGA    A    77_A      A    77_A     0.331     0    0.031   0.042     0.389  100.000  100.000
LGA    Y    78_A      Y    78_A     0.266     0    0.029   0.089     0.635  100.000   98.413
LGA    V    79_A      V    79_A     0.103     0    0.032   1.204     2.647  100.000   88.844
LGA    L    80_A      L    80_A     0.193     0    0.032   0.916     2.244  100.000   91.190
LGA    D    81_A      D    81_A     0.304     0    0.032   0.974     3.897  100.000   84.107
LGA    Q    82_A      Q    82_A     0.218     0    0.033   0.197     0.861  100.000   98.942
LGA    A    83_A      A    83_A     0.181     0    0.043   0.057     0.413  100.000  100.000
LGA    E    84_A      E    84_A     0.871     0    0.040   0.648     1.411   85.952   84.444
LGA    K    85_A      K    85_A     1.381     0    0.114   0.646     2.181   81.429   78.677
LGA    G    86_A      G    86_A     1.026     0    0.471   0.471     3.179   75.833   75.833
LGA    W    87_A      W    87_A     0.536     0    0.507   0.417     1.474   88.214   95.272

# 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):     2.001          1.981                  1.972           93.005   88.429

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.54    96.552    97.193    13.146

LGA_LOCAL      RMSD:   0.539  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.116  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.001  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.496774 * X  +  -0.123074 * Y  +  -0.859109 * Z  +  68.410522
  Y_new =  -0.866464 * X  +   0.013808 * Y  +   0.499048 * Z  +  52.576721
  Z_new =  -0.049558 * X  +   0.992301 * Y  +  -0.113498 * Z  + 120.797714 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.091378  0.049578  1.684680   [DEG: -119.8271    2.8406   96.5251 ]
ZXZ: -2.097046  1.684540 -0.049901   [DEG: -120.1519   96.5170   -2.8591 ]
 
# END of job
