
#######################################################
#                                                     #
#                        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        1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.91     1.96
  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   87   87      3    4    4    4    5    5    6    7    8   10   13   34   36   38   70   73   87   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   87   87      3    4    4    4   28   36   66   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   87   87      3    4    4    4    5    5   13   32   76   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   87   87     72   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   87   87     56   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   87   87     74   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   87   87     49   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   87   87     61   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   87   87     75   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   87   87     62   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   87   87     35   82   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   87   87     18   81   83   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   87   87      3   55   81   84   84   84   84   85   85   86   86   86   86   86   86   86   87   87   87   87 
LCS_AVERAGE  LCS_A:  98.52  (  95.56  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     75     82     83     84     84     84     84     85     85     86     86     86     86     86     86     86     87     87     87     87 
GDT PERCENT_AT  86.21  94.25  95.40  96.55  96.55  96.55  96.55  97.70  97.70  98.85  98.85  98.85  98.85  98.85  98.85  98.85 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.33   0.36   0.41   0.41   0.41   0.41   0.91   0.91   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.90   1.90   1.90   1.90
GDT RMS_ALL_AT   2.00   2.01   2.01   2.01   2.01   2.01   2.01   1.95   1.95   1.92   1.92   1.92   1.92   1.92   1.92   1.92   1.90   1.90   1.90   1.90

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  D    69_A      D    69_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  D    74_A      D    74_A
#   possible swapping detected:  D    81_A      D    81_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    14.380     0    0.026   0.026    16.275    0.000    0.000
LGA    S     2_A      S     2_A     7.340     0    0.039   0.385     9.799    6.905   12.540
LGA    A     3_A      A     3_A     7.311     0    0.641   0.602     9.017   19.405   15.810
LGA    D     4_A      D     4_A     0.186     0    0.575   1.373     5.840   89.286   63.750
LGA    L     5_A      L     5_A     0.271     0    0.047   0.071     0.344  100.000  100.000
LGA    A     6_A      A     6_A     0.319     0    0.034   0.035     0.476  100.000  100.000
LGA    H     7_A      H     7_A     0.271     0    0.000   0.081     0.847  100.000   96.190
LGA    G     8_A      G     8_A     0.163     0    0.022   0.022     0.167  100.000  100.000
LGA    K     9_A      K     9_A     0.229     0    0.000   0.055     0.771  100.000   97.884
LGA    A    10_A      A    10_A     0.178     0    0.012   0.011     0.314  100.000  100.000
LGA    I    11_A      I    11_A     0.189     0    0.005   0.669     2.257  100.000   95.595
LGA    F    12_A      F    12_A     0.277     0    0.002   0.063     0.412  100.000  100.000
LGA    A    13_A      A    13_A     0.220     0    0.023   0.024     0.252  100.000  100.000
LGA    G    14_A      G    14_A     0.236     0    0.028   0.028     0.322  100.000  100.000
LGA    N    15_A      N    15_A     0.388     0    0.052   0.073     0.654   97.619   97.619
LGA    C    16_A      C    16_A     0.137     0    0.045   0.075     0.238  100.000  100.000
LGA    A    17_A      A    17_A     0.172     0    0.024   0.027     0.270  100.000  100.000
LGA    A    18_A      A    18_A     0.326     0    0.027   0.029     0.533  100.000   98.095
LGA    C    19_A      C    19_A     0.386     0    0.066   0.128     0.761   97.619   95.238
LGA    H    20_A      H    20_A     0.205     0    0.051   0.054     0.551  100.000   99.048
LGA    N    21_A      N    21_A     0.493     0    0.016   0.245     1.031  100.000   94.107
LGA    G    22_A      G    22_A     0.536     0    0.019   0.019     0.612   92.857   92.857
LGA    G    23_A      G    23_A     0.491     0    0.020   0.020     0.511   97.619   97.619
LGA    L    24_A      L    24_A     0.242     0    0.106   0.232     0.859   97.619   97.619
LGA    N    25_A      N    25_A     0.170     0    0.034   0.043     0.346  100.000  100.000
LGA    A    26_A      A    26_A     0.258     0    0.129   0.138     0.831   97.619   98.095
LGA    I    27_A      I    27_A     0.556     0    0.020   0.633     1.832   92.857   89.464
LGA    N    28_A      N    28_A     0.344     0    0.036   0.072     0.451  100.000  100.000
LGA    P    29_A      P    29_A     0.197     0    0.018   0.048     0.351  100.000  100.000
LGA    S    30_A      S    30_A     0.314     0    0.017   0.096     0.657  100.000   98.413
LGA    K    31_A      K    31_A     0.290     0    0.017   0.961     3.887  100.000   87.672
LGA    T    32_A      T    32_A     0.135     0    0.011   0.066     0.272  100.000  100.000
LGA    L    33_A      L    33_A     0.155     0    0.016   0.090     0.407  100.000  100.000
LGA    K    34_A      K    34_A     0.185     0    0.031   0.168     1.324  100.000   95.820
LGA    M    35_A      M    35_A     0.256     0    0.029   0.070     0.504  100.000   98.810
LGA    A    36_A      A    36_A     0.187     0    0.032   0.032     0.283  100.000  100.000
LGA    D    37_A      D    37_A     0.125     0    0.008   0.101     0.425  100.000  100.000
LGA    L    38_A      L    38_A     0.188     0    0.004   0.038     0.244  100.000  100.000
LGA    E    39_A      E    39_A     0.132     0    0.003   0.992     3.221  100.000   80.212
LGA    A    40_A      A    40_A     0.246     0    0.025   0.027     0.333  100.000  100.000
LGA    N    41_A      N    41_A     0.313     0    0.033   0.068     0.509   97.619   98.810
LGA    G    42_A      G    42_A     0.332     0    0.041   0.041     0.381  100.000  100.000
LGA    K    43_A      K    43_A     0.340     0    0.135   0.253     1.381   97.619   93.757
LGA    N    44_A      N    44_A     0.228     0    0.139   0.119     1.030   92.976   92.917
LGA    S    45_A      S    45_A     0.419     0    0.024   0.064     0.567  100.000   98.413
LGA    V    46_A      V    46_A     0.576     0    0.013   0.029     0.864   95.238   93.197
LGA    A    47_A      A    47_A     0.581     0    0.020   0.020     0.714   95.238   94.286
LGA    A    48_A      A    48_A     0.425     0    0.044   0.052     0.548  100.000   98.095
LGA    I    49_A      I    49_A     0.153     0    0.021   0.065     0.330  100.000  100.000
LGA    V    50_A      V    50_A     0.282     0    0.016   0.039     0.370  100.000  100.000
LGA    A    51_A      A    51_A     0.413     0    0.018   0.021     0.491  100.000  100.000
LGA    Q    52_A      Q    52_A     0.291     0    0.000   0.184     1.336  100.000   94.762
LGA    I    53_A      I    53_A     0.183     0    0.002   0.032     0.590  100.000   98.810
LGA    T    54_A      T    54_A     0.308     0    0.014   0.020     0.459  100.000  100.000
LGA    N    55_A      N    55_A     0.440     0    0.031   0.069     0.727  100.000   95.238
LGA    G    56_A      G    56_A     0.410     0    0.042   0.042     0.476  100.000  100.000
LGA    N    57_A      N    57_A     0.652     0    0.089   0.262     1.004   90.476   89.345
LGA    G    58_A      G    58_A     0.705     0    0.027   0.027     0.705   90.476   90.476
LGA    A    59_A      A    59_A     0.559     0    0.047   0.054     0.640   92.857   92.381
LGA    M    60_A      M    60_A     0.444     0    0.014   0.634     1.877  100.000   90.833
LGA    P    61_A      P    61_A     0.424     0    0.004   0.038     0.632  100.000   95.918
LGA    G    62_A      G    62_A     0.293     0    0.041   0.041     0.328  100.000  100.000
LGA    F    63_A      F    63_A     0.299     0    0.038   0.039     0.463  100.000  100.000
LGA    K    64_A      K    64_A     0.430     0    0.018   0.538     2.273  100.000   91.111
LGA    G    65_A      G    65_A     0.304     0    0.047   0.047     0.402  100.000  100.000
LGA    R    66_A      R    66_A     0.273     0    0.075   1.058     3.896  100.000   85.887
LGA    I    67_A      I    67_A     0.388     0    0.035   1.106     2.667  100.000   85.655
LGA    S    68_A      S    68_A     0.341     0    0.026   0.035     0.351  100.000  100.000
LGA    D    69_A      D    69_A     0.344     0    0.000   0.245     1.091  100.000   96.488
LGA    S    70_A      S    70_A     0.429     0    0.009   0.585     2.037  100.000   92.540
LGA    D    71_A      D    71_A     0.449     0    0.046   0.096     0.816  100.000   96.429
LGA    M    72_A      M    72_A     0.311     0    0.011   0.170     0.792  100.000   98.810
LGA    E    73_A      E    73_A     0.300     0    0.007   0.691     2.873  100.000   88.307
LGA    D    74_A      D    74_A     0.251     0    0.006   0.056     0.325  100.000  100.000
LGA    V    75_A      V    75_A     0.275     0    0.019   0.197     0.681  100.000   98.639
LGA    A    76_A      A    76_A     0.457     0    0.015   0.018     0.525  100.000   98.095
LGA    A    77_A      A    77_A     0.309     0    0.013   0.013     0.347  100.000  100.000
LGA    Y    78_A      Y    78_A     0.133     0    0.013   0.040     0.362  100.000  100.000
LGA    V    79_A      V    79_A     0.293     0    0.006   0.047     0.342  100.000  100.000
LGA    L    80_A      L    80_A     0.328     0    0.025   0.094     0.501  100.000   98.810
LGA    D    81_A      D    81_A     0.402     0    0.011   0.015     0.559  100.000   96.429
LGA    Q    82_A      Q    82_A     0.419     0    0.018   1.062     2.649   95.238   90.106
LGA    A    83_A      A    83_A     0.541     0    0.009   0.012     0.640   90.476   92.381
LGA    E    84_A      E    84_A     0.776     0    0.068   1.207     4.793   90.476   72.063
LGA    K    85_A      K    85_A     1.308     0    0.055   0.816     1.946   81.429   82.593
LGA    G    86_A      G    86_A     1.266     0    0.506   0.506     4.082   66.190   66.190
LGA    W    87_A      W    87_A     1.891     0    0.020   0.832     4.842   57.976   61.905

# 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):     1.895          1.884                  1.717           94.525   92.093

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     85    0.91    96.839    97.847     8.384

LGA_LOCAL      RMSD:   0.914  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.951  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   1.895  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.484415 * X  +  -0.558746 * Y  +  -0.673160 * Z  +   9.965404
  Y_new =   0.845747 * X  +  -0.102322 * Y  +  -0.523681 * Z  +  29.151720
  Z_new =   0.223726 * X  +  -0.823002 * Y  +   0.522124 * Z  +  86.685234 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.090950 -0.225636 -1.005456   [DEG:  119.8026  -12.9280  -57.6084 ]
ZXZ: -0.909650  1.021456  2.876165   [DEG:  -52.1191   58.5251  164.7921 ]
 
# END of job
