
#######################################################
#                                                     #
#                        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        2.02     2.02
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.28     2.05
  LCS_AVERAGE:     97.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.93     2.09
  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    6    6    7    8    9   10   12   32   35   37   70   73   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   86   87      3    3    4    5   14   27   42   67   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   86   87      3    3    4    5    5    6   15   26   72   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   86   87     69   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   86   87     69   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   86   87     42   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   86   87     62   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   86   87     61   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   86   87     32   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   86   87     25   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   86   87     36   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   86   87     20   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   86   87     71   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   86   87     61   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   86   87     36   82   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   86   87     30   81   84   84   84   84   84   84   85   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   86   87     69   82   84   84   84   84   84   84   85   86   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     71     82     84     84     84     84     84     84     85     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  81.61  94.25  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  98.85 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.37   0.41   0.41   0.41   0.41   0.41   0.41   1.01   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   2.02   2.02   2.02
GDT RMS_ALL_AT   2.13   2.13   2.14   2.14   2.14   2.14   2.14   2.14   2.07   2.05   2.05   2.05   2.05   2.05   2.05   2.05   2.05   2.02   2.02   2.02

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_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    15.637     0    0.070   0.070    17.852    0.000    0.000
LGA    S     2_A      S     2_A     8.776     0    0.064   0.790    11.141    2.619    6.825
LGA    A     3_A      A     3_A     7.843     0    0.637   0.597     9.447   14.881   12.190
LGA    D     4_A      D     4_A     0.603     0    0.578   1.354     5.563   85.119   64.167
LGA    L     5_A      L     5_A     0.337     0    0.093   0.100     0.455  100.000  100.000
LGA    A     6_A      A     6_A     0.492     0    0.043   0.052     0.656   97.619   96.190
LGA    H     7_A      H     7_A     0.440     0    0.053   1.127     2.423  100.000   87.429
LGA    G     8_A      G     8_A     0.250     0    0.044   0.044     0.379  100.000  100.000
LGA    K     9_A      K     9_A     0.269     0    0.022   0.088     0.772  100.000   97.884
LGA    A    10_A      A    10_A     0.424     0    0.044   0.054     0.508  100.000   98.095
LGA    I    11_A      I    11_A     0.317     0    0.026   0.654     2.535  100.000   94.643
LGA    F    12_A      F    12_A     0.195     0    0.014   0.069     0.280  100.000  100.000
LGA    A    13_A      A    13_A     0.193     0    0.033   0.042     0.305  100.000  100.000
LGA    G    14_A      G    14_A     0.202     0    0.024   0.024     0.251  100.000  100.000
LGA    N    15_A      N    15_A     0.220     0    0.021   0.040     0.413  100.000  100.000
LGA    C    16_A      C    16_A     0.194     0    0.051   0.109     0.441  100.000  100.000
LGA    A    17_A      A    17_A     0.164     0    0.041   0.054     0.337  100.000  100.000
LGA    A    18_A      A    18_A     0.380     0    0.035   0.033     0.603  100.000   98.095
LGA    C    19_A      C    19_A     0.418     0    0.026   0.090     0.740   97.619   95.238
LGA    H    20_A      H    20_A     0.367     0    0.135   0.119     0.460  100.000  100.000
LGA    N    21_A      N    21_A     0.628     0    0.048   0.298     1.277   95.238   89.464
LGA    G    22_A      G    22_A     0.609     0    0.032   0.032     0.639   92.857   92.857
LGA    G    23_A      G    23_A     0.413     0    0.020   0.020     0.508   97.619   97.619
LGA    L    24_A      L    24_A     0.209     0    0.081   0.153     0.720  100.000   97.619
LGA    N    25_A      N    25_A     0.239     0    0.018   0.060     0.306  100.000  100.000
LGA    A    26_A      A    26_A     0.262     0    0.151   0.153     0.835   97.619   98.095
LGA    I    27_A      I    27_A     0.565     0    0.032   0.616     1.875   90.476   88.274
LGA    N    28_A      N    28_A     0.556     0    0.030   0.045     0.951   90.476   90.476
LGA    P    29_A      P    29_A     0.520     0    0.017   0.043     0.585   90.476   94.558
LGA    S    30_A      S    30_A     0.575     0    0.076   0.075     0.708   90.476   90.476
LGA    K    31_A      K    31_A     0.477     0    0.025   0.418     1.712   97.619   89.683
LGA    T    32_A      T    32_A     0.231     0    0.013   0.055     0.305  100.000  100.000
LGA    L    33_A      L    33_A     0.063     0    0.027   0.073     0.235  100.000  100.000
LGA    K    34_A      K    34_A     0.214     0    0.009   0.854     5.305  100.000   82.275
LGA    M    35_A      M    35_A     0.224     0    0.054   0.064     0.266  100.000  100.000
LGA    A    36_A      A    36_A     0.138     0    0.025   0.034     0.194  100.000  100.000
LGA    D    37_A      D    37_A     0.075     0    0.007   0.062     0.237  100.000  100.000
LGA    L    38_A      L    38_A     0.214     0    0.029   0.054     0.401  100.000  100.000
LGA    E    39_A      E    39_A     0.169     0    0.059   1.017     2.987  100.000   82.646
LGA    A    40_A      A    40_A     0.237     0    0.021   0.024     0.421  100.000  100.000
LGA    N    41_A      N    41_A     0.482     0    0.028   0.056     0.627   95.238   95.238
LGA    G    42_A      G    42_A     0.607     0    0.031   0.031     0.747   90.476   90.476
LGA    K    43_A      K    43_A     0.599     0    0.060   0.137     1.444   90.476   88.466
LGA    N    44_A      N    44_A     0.179     0    0.164   0.156     0.864   97.619   95.238
LGA    S    45_A      S    45_A     0.184     0    0.042   0.060     0.335  100.000  100.000
LGA    V    46_A      V    46_A     0.260     0    0.048   0.081     0.432  100.000  100.000
LGA    A    47_A      A    47_A     0.153     0    0.016   0.024     0.264  100.000  100.000
LGA    A    48_A      A    48_A     0.216     0    0.019   0.031     0.382  100.000  100.000
LGA    I    49_A      I    49_A     0.223     0    0.053   0.062     0.364  100.000  100.000
LGA    V    50_A      V    50_A     0.088     0    0.083   0.081     0.293  100.000  100.000
LGA    A    51_A      A    51_A     0.231     0    0.037   0.035     0.458  100.000  100.000
LGA    Q    52_A      Q    52_A     0.252     0    0.007   0.316     1.331  100.000   95.820
LGA    I    53_A      I    53_A     0.153     0    0.028   0.049     0.482  100.000  100.000
LGA    T    54_A      T    54_A     0.205     0    0.018   0.078     0.380  100.000  100.000
LGA    N    55_A      N    55_A     0.189     0    0.013   0.146     0.421  100.000  100.000
LGA    G    56_A      G    56_A     0.237     0    0.023   0.023     0.272  100.000  100.000
LGA    N    57_A      N    57_A     0.411     0    0.031   0.131     1.059  100.000   94.107
LGA    G    58_A      G    58_A     0.830     0    0.052   0.052     0.830   90.476   90.476
LGA    A    59_A      A    59_A     0.457     0    0.065   0.081     0.513   97.619   98.095
LGA    M    60_A      M    60_A     0.325     0    0.017   0.187     0.630  100.000   97.619
LGA    P    61_A      P    61_A     0.375     0    0.029   0.032     0.493  100.000  100.000
LGA    G    62_A      G    62_A     0.223     0    0.052   0.052     0.354  100.000  100.000
LGA    F    63_A      F    63_A     0.260     0    0.046   0.062     0.292  100.000  100.000
LGA    K    64_A      K    64_A     0.285     0    0.046   0.562     2.295  100.000   92.169
LGA    G    65_A      G    65_A     0.323     0    0.046   0.046     0.323  100.000  100.000
LGA    R    66_A      R    66_A     0.245     0    0.072   1.117     3.603  100.000   85.195
LGA    I    67_A      I    67_A     0.619     0    0.099   1.111     2.814   95.238   83.155
LGA    S    68_A      S    68_A     0.107     0    0.024   0.052     0.245  100.000  100.000
LGA    D    69_A      D    69_A     0.192     0    0.008   0.250     0.740  100.000   98.810
LGA    S    70_A      S    70_A     0.433     0    0.036   0.134     0.620   97.619   98.413
LGA    D    71_A      D    71_A     0.471     0    0.024   0.295     1.387   97.619   91.786
LGA    M    72_A      M    72_A     0.444     0    0.020   0.170     0.565  100.000   98.810
LGA    E    73_A      E    73_A     0.452     0    0.032   0.700     2.580   97.619   86.190
LGA    D    74_A      D    74_A     0.369     0    0.008   0.083     0.640  100.000   97.619
LGA    V    75_A      V    75_A     0.400     0    0.029   1.096     2.360  100.000   88.571
LGA    A    76_A      A    76_A     0.385     0    0.010   0.028     0.482  100.000  100.000
LGA    A    77_A      A    77_A     0.321     0    0.046   0.054     0.400  100.000  100.000
LGA    Y    78_A      Y    78_A     0.187     0    0.020   0.050     0.368  100.000  100.000
LGA    V    79_A      V    79_A     0.204     0    0.012   0.042     0.272  100.000  100.000
LGA    L    80_A      L    80_A     0.312     0    0.067   0.203     0.562   97.619   98.810
LGA    D    81_A      D    81_A     0.392     0    0.025   0.121     1.243   97.619   94.107
LGA    Q    82_A      Q    82_A     0.254     0    0.015   1.004     2.620  100.000   92.222
LGA    A    83_A      A    83_A     0.341     0    0.013   0.014     0.414  100.000  100.000
LGA    E    84_A      E    84_A     0.633     0    0.028   1.186     4.686   92.857   73.280
LGA    K    85_A      K    85_A     1.099     0    0.063   0.920     2.514   85.952   81.005
LGA    G    86_A      G    86_A     1.263     0    0.603   0.603     3.891   72.024   72.024
LGA    W    87_A      W    87_A     0.629     0    0.265   1.374     4.573   88.214   73.844

# 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):     2.018          1.993                  1.808           94.540   91.912

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.41    96.552    97.299    16.551

LGA_LOCAL      RMSD:   0.408  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.136  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.018  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.954028 * X  +  -0.245836 * Y  +   0.171449 * Z  +  10.198710
  Y_new =   0.233388 * X  +   0.250449 * Y  +  -0.939577 * Z  +  29.953182
  Z_new =   0.188043 * X  +   0.936397 * Y  +   0.296311 * Z  +  87.051361 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.239923 -0.189169  1.264329   [DEG:   13.7466  -10.8386   72.4407 ]
ZXZ:  0.180489  1.269969  0.198179   [DEG:   10.3413   72.7639   11.3548 ]
 
# END of job
