
#######################################################
#                                                     #
#                        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        0.75     0.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        0.75     0.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        0.75     0.75
  LCS_AVERAGE:    100.00

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     87   87   87     17   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S     2_A     S     2_A     87   87   87      0    3   71   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A     3_A     A     3_A     87   87   87      3   26   71   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D     4_A     D     4_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L     5_A     L     5_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A     6_A     A     6_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     H     7_A     H     7_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G     8_A     G     8_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K     9_A     K     9_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    10_A     A    10_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    11_A     I    11_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     F    12_A     F    12_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    13_A     A    13_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    14_A     G    14_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    15_A     N    15_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     C    16_A     C    16_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    17_A     A    17_A     87   87   87     10   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    18_A     A    18_A     87   87   87     16   76   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     C    19_A     C    19_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     H    20_A     H    20_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    21_A     N    21_A     87   87   87      4   76   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    22_A     G    22_A     87   87   87     20   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    23_A     G    23_A     87   87   87     44   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    24_A     L    24_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    25_A     N    25_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    26_A     A    26_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    27_A     I    27_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    28_A     N    28_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     P    29_A     P    29_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    30_A     S    30_A     87   87   87     44   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    31_A     K    31_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    32_A     T    32_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    33_A     L    33_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    34_A     K    34_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    35_A     M    35_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    36_A     A    36_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    37_A     D    37_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    38_A     L    38_A     87   87   87     46   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    39_A     E    39_A     87   87   87     31   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    40_A     A    40_A     87   87   87     27   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    41_A     N    41_A     87   87   87     17   74   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    42_A     G    42_A     87   87   87     18   75   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    43_A     K    43_A     87   87   87     46   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    44_A     N    44_A     87   87   87     16   76   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    45_A     S    45_A     87   87   87     23   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    46_A     V    46_A     87   87   87     23   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    47_A     A    47_A     87   87   87     45   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    48_A     A    48_A     87   87   87     45   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    49_A     I    49_A     87   87   87     42   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    50_A     V    50_A     87   87   87     45   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    51_A     A    51_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    53_A     I    53_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    54_A     T    54_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    55_A     N    55_A     87   87   87     31   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    56_A     G    56_A     87   87   87     43   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    57_A     N    57_A     87   87   87     31   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    58_A     G    58_A     87   87   87     31   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    59_A     A    59_A     87   87   87     31   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    60_A     M    60_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     P    61_A     P    61_A     87   87   87     31   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    62_A     G    62_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     F    63_A     F    63_A     87   87   87     31   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    64_A     K    64_A     87   87   87     23   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    65_A     G    65_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     R    66_A     R    66_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    67_A     I    67_A     87   87   87     44   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    68_A     S    68_A     87   87   87     28   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    69_A     D    69_A     87   87   87      9   51   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    70_A     S    70_A     87   87   87      8   53   85   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    71_A     D    71_A     87   87   87     24   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    72_A     M    72_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    73_A     E    73_A     87   87   87     44   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    74_A     D    74_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    75_A     V    75_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    76_A     A    76_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    77_A     A    77_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    79_A     V    79_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    80_A     L    80_A     87   87   87     44   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    81_A     D    81_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    83_A     A    83_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    84_A     E    84_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    85_A     K    85_A     87   87   87      6   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    86_A     G    86_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     W    87_A     W    87_A     87   87   87     47   78   85   86   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
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     47     78     85     86     87     87     87     87     87     87     87     87     87     87     87     87     87     87     87     87 
GDT PERCENT_AT  54.02  89.66  97.70  98.85 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.54   0.65   0.73   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75
GDT RMS_ALL_AT   0.79   0.76   0.76   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75   0.75

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    73_A      E    73_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     0.814     0    0.281   0.281     1.133   92.976   92.976
LGA    S     2_A      S     2_A     2.370     0    0.546   0.769     4.606   58.690   63.730
LGA    A     3_A      A     3_A     2.488     0    0.652   0.623     4.281   57.857   56.286
LGA    D     4_A      D     4_A     0.417     0    0.181   1.215     3.835  100.000   84.881
LGA    L     5_A      L     5_A     0.407     0    0.071   1.420     3.473  100.000   82.143
LGA    A     6_A      A     6_A     0.708     0    0.042   0.043     1.045   90.476   88.667
LGA    H     7_A      H     7_A     0.647     0    0.035   0.920     2.268   95.238   86.238
LGA    G     8_A      G     8_A     0.271     0    0.030   0.030     0.353  100.000  100.000
LGA    K     9_A      K     9_A     0.498     0    0.023   0.645     1.837  100.000   86.878
LGA    A    10_A      A    10_A     0.499     0    0.042   0.045     0.735  100.000   98.095
LGA    I    11_A      I    11_A     0.395     0    0.023   1.166     2.683  100.000   83.690
LGA    F    12_A      F    12_A     0.285     0    0.025   0.123     0.405  100.000  100.000
LGA    A    13_A      A    13_A     0.212     0    0.054   0.053     0.276  100.000  100.000
LGA    G    14_A      G    14_A     0.326     0    0.111   0.111     0.900   97.619   97.619
LGA    N    15_A      N    15_A     0.475     0    0.102   0.146     1.151   92.976   91.726
LGA    C    16_A      C    16_A     0.144     0    0.027   0.160     0.425  100.000  100.000
LGA    A    17_A      A    17_A     0.830     0    0.040   0.040     1.308   88.214   86.857
LGA    A    18_A      A    18_A     1.174     0    0.037   0.054     1.665   88.214   85.143
LGA    C    19_A      C    19_A     0.569     0    0.039   0.058     1.284   90.595   87.540
LGA    H    20_A      H    20_A     0.253     0    0.234   0.220     0.656  100.000   97.143
LGA    N    21_A      N    21_A     1.081     0    0.504   1.250     3.263   75.833   74.762
LGA    G    22_A      G    22_A     0.949     0    0.202   0.202     0.975   92.857   92.857
LGA    G    23_A      G    23_A     0.524     0    0.106   0.106     0.735   95.238   95.238
LGA    L    24_A      L    24_A     0.249     0    0.048   1.324     4.942  100.000   81.667
LGA    N    25_A      N    25_A     0.289     0    0.028   0.107     0.492  100.000  100.000
LGA    A    26_A      A    26_A     0.346     0    0.037   0.061     0.378  100.000  100.000
LGA    I    27_A      I    27_A     0.537     0    0.032   1.164     3.631   97.619   79.881
LGA    N    28_A      N    28_A     0.444     0    0.153   1.355     3.562  100.000   82.083
LGA    P    29_A      P    29_A     0.443     0    0.129   0.292     1.921   97.619   92.041
LGA    S    30_A      S    30_A     0.847     0    0.019   0.676     2.867   90.476   83.413
LGA    K    31_A      K    31_A     0.548     0    0.059   0.285     0.705   95.238   94.709
LGA    T    32_A      T    32_A     0.431     0    0.045   0.071     0.564   95.238   95.918
LGA    L    33_A      L    33_A     0.423     0    0.123   0.152     1.349  100.000   92.976
LGA    K    34_A      K    34_A     0.409     0    0.035   1.164     4.078  100.000   77.831
LGA    M    35_A      M    35_A     0.225     0    0.024   0.988     4.262  100.000   86.548
LGA    A    36_A      A    36_A     0.142     0    0.044   0.045     0.167  100.000  100.000
LGA    D    37_A      D    37_A     0.353     0    0.023   0.197     1.184   97.619   95.298
LGA    L    38_A      L    38_A     0.380     0    0.045   0.097     0.610   95.238   96.429
LGA    E    39_A      E    39_A     0.756     0    0.029   0.811     1.920   88.214   81.640
LGA    A    40_A      A    40_A     0.994     0    0.118   0.118     1.072   90.476   88.667
LGA    N    41_A      N    41_A     1.337     0    0.198   0.468     2.282   81.429   76.190
LGA    G    42_A      G    42_A     1.260     0    0.123   0.123     1.269   85.952   85.952
LGA    K    43_A      K    43_A     0.396     0    0.469   0.927     3.046   80.476   78.254
LGA    N    44_A      N    44_A     1.178     0    0.308   0.836     2.262   88.214   85.119
LGA    S    45_A      S    45_A     0.912     0    0.027   0.062     0.952   90.476   90.476
LGA    V    46_A      V    46_A     0.858     0    0.029   0.129     1.287   90.476   89.184
LGA    A    47_A      A    47_A     0.504     0    0.037   0.046     0.632   95.238   96.190
LGA    A    48_A      A    48_A     0.513     0    0.057   0.057     0.513   92.857   94.286
LGA    I    49_A      I    49_A     0.597     0    0.038   0.101     0.919   90.476   90.476
LGA    V    50_A      V    50_A     0.539     0    0.027   0.127     0.907   95.238   94.558
LGA    A    51_A      A    51_A     0.433     0    0.039   0.041     0.497  100.000  100.000
LGA    Q    52_A      Q    52_A     0.502     0    0.030   0.775     2.791   97.619   86.984
LGA    I    53_A      I    53_A     0.518     0    0.038   0.621     2.078   97.619   90.833
LGA    T    54_A      T    54_A     0.367     0    0.032   1.119     2.710  100.000   88.844
LGA    N    55_A      N    55_A     0.623     0    0.056   0.322     1.056   90.476   90.536
LGA    G    56_A      G    56_A     0.547     0    0.088   0.088     0.547   95.238   95.238
LGA    N    57_A      N    57_A     0.737     0    0.039   1.284     5.195   90.476   72.321
LGA    G    58_A      G    58_A     0.776     0    0.028   0.028     0.776   90.476   90.476
LGA    A    59_A      A    59_A     0.667     0    0.156   0.156     1.079   90.476   88.667
LGA    M    60_A      M    60_A     0.489     0    0.048   0.264     0.967   97.619   94.048
LGA    P    61_A      P    61_A     0.593     0    0.041   0.424     0.787   92.857   93.197
LGA    G    62_A      G    62_A     0.270     0    0.094   0.094     0.662   97.619   97.619
LGA    F    63_A      F    63_A     0.643     0    0.178   0.204     1.416   97.619   88.139
LGA    K    64_A      K    64_A     0.880     0    0.028   0.913     2.325   90.476   81.693
LGA    G    65_A      G    65_A     0.318     0    0.147   0.147     0.560   95.238   95.238
LGA    R    66_A      R    66_A     0.391     0    0.104   1.144     3.068   97.619   86.277
LGA    I    67_A      I    67_A     0.603     0    0.072   0.908     2.298   92.857   83.036
LGA    S    68_A      S    68_A     0.960     0    0.076   0.609     2.028   88.214   83.175
LGA    D    69_A      D    69_A     1.504     0    0.022   0.409     3.277   79.286   73.274
LGA    S    70_A      S    70_A     1.645     0    0.032   0.572     3.193   77.143   70.556
LGA    D    71_A      D    71_A     1.058     0    0.083   0.128     1.421   85.952   83.690
LGA    M    72_A      M    72_A     0.608     0    0.041   0.229     1.930   90.476   86.071
LGA    E    73_A      E    73_A     0.756     0    0.033   1.397     6.153   90.476   70.635
LGA    D    74_A      D    74_A     0.481     0    0.020   0.097     0.669   97.619   94.048
LGA    V    75_A      V    75_A     0.362     0    0.027   0.278     0.715  100.000   97.279
LGA    A    76_A      A    76_A     0.466     0    0.039   0.041     0.493  100.000  100.000
LGA    A    77_A      A    77_A     0.498     0    0.031   0.043     0.595  100.000   98.095
LGA    Y    78_A      Y    78_A     0.336     0    0.027   0.064     0.391  100.000  100.000
LGA    V    79_A      V    79_A     0.347     0    0.027   0.134     0.516   97.619   98.639
LGA    L    80_A      L    80_A     0.640     0    0.059   0.771     3.432   92.857   82.202
LGA    D    81_A      D    81_A     0.491     0    0.026   0.376     1.143   97.619   95.298
LGA    Q    82_A      Q    82_A     0.500     0    0.041   1.016     2.305   95.238   86.878
LGA    A    83_A      A    83_A     0.455     0    0.040   0.045     0.608   97.619   96.190
LGA    E    84_A      E    84_A     0.367     0    0.032   1.152     4.409   97.619   77.090
LGA    K    85_A      K    85_A     0.795     0    0.193   0.820     1.885   92.857   86.667
LGA    G    86_A      G    86_A     0.321     0    0.078   0.078     0.430  100.000  100.000
LGA    W    87_A      W    87_A     0.266     0    0.684   0.519     1.733   90.833   88.707

# 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):     0.746          0.805                  1.255           93.576   88.895

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     87    0.75    97.126    98.931    10.282

LGA_LOCAL      RMSD:   0.746  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.746  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   0.746  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.373855 * X  +  -0.105094 * Y  +  -0.921514 * Z  +  13.916075
  Y_new =  -0.884915 * X  +  -0.257145 * Y  +   0.388333 * Z  +  21.133537
  Z_new =  -0.277774 * X  +   0.960641 * Y  +   0.003135 * Z  +  87.545784 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.970527  0.281476  1.567532   [DEG: -112.9029   16.1274   89.8130 ]
ZXZ: -1.969620  1.567661 -0.281478   [DEG: -112.8509   89.8204  -16.1275 ]
 
# END of job
