
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   87 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        2.04     2.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.32     2.07
  LCS_AVERAGE:     97.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.97     2.12
  LCS_AVERAGE:     95.53

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      3    4   87      3    3    3    4    4    7    9    9   15   19   22   25   35   45   64   70   74   87   87   87 
LCS_GDT     S     2_A     S     2_A      3   86   87      3    3    3    4   22   34   46   68   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   86   87      3    4    4    4    4   31   46   68   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   86   87     58   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   86   87      5   70   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   86   87     58   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   86   87     25   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   86   87     58   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   86   87     34   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   86   87     16   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   86   87     34   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   86   87     34   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   86   87     45   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   86   87     58   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   86   87     58   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   86   87     49   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   86   87     58   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   86   87     58   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   86   87     55   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   86   87     25   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   86   87     45   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   86   87     54   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   86   87     45   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   86   87     58   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   86   87     58   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   86   87     59   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   86   87     27   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   86   87     15   76   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   86   87     26   81   84   84   84   84   84   84   86   86   86   86   86   86   86   86   86   87   87   87 
LCS_AVERAGE  LCS_A:  97.77  (  95.53   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     59     81     84     84     84     84     84     84     86     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  67.82  93.10  96.55  96.55  96.55  96.55  96.55  96.55  98.85  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    0.34   0.46   0.52   0.52   0.52   0.52   0.52   0.52   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   2.04   2.04   2.04
GDT RMS_ALL_AT   2.15   2.17   2.17   2.17   2.17   2.17   2.17   2.17   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.04   2.04   2.04

# 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:  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    15.684     0    0.072   0.072    17.221    0.000    0.000
LGA    S     2_A      S     2_A     8.970     0    0.078   0.730    11.412    1.071    4.048
LGA    A     3_A      A     3_A     7.712     0    0.643   0.611     9.296   15.476   12.667
LGA    D     4_A      D     4_A     0.673     0    0.570   1.358     5.587   82.738   62.976
LGA    L     5_A      L     5_A     0.477     0    0.068   0.076     0.582   97.619   96.429
LGA    A     6_A      A     6_A     0.534     0    0.035   0.038     0.761   95.238   94.286
LGA    H     7_A      H     7_A     0.506     0    0.036   1.092     2.470   95.238   85.381
LGA    G     8_A      G     8_A     0.308     0    0.033   0.033     0.387  100.000  100.000
LGA    K     9_A      K     9_A     0.273     0    0.014   0.054     0.754  100.000   97.884
LGA    A    10_A      A    10_A     0.335     0    0.004   0.013     0.498  100.000  100.000
LGA    I    11_A      I    11_A     0.213     0    0.031   0.103     0.857  100.000   98.810
LGA    F    12_A      F    12_A     0.181     0    0.025   0.070     0.237  100.000  100.000
LGA    A    13_A      A    13_A     0.183     0    0.018   0.021     0.322  100.000  100.000
LGA    G    14_A      G    14_A     0.338     0    0.052   0.052     0.568   97.619   97.619
LGA    N    15_A      N    15_A     0.135     0    0.039   0.369     1.114  100.000   96.488
LGA    C    16_A      C    16_A     0.536     0    0.047   0.118     0.706   92.857   93.651
LGA    A    17_A      A    17_A     0.626     0    0.024   0.023     1.090   88.214   88.667
LGA    A    18_A      A    18_A     1.448     0    0.068   0.071     1.861   79.286   78.000
LGA    C    19_A      C    19_A     0.614     0    0.028   0.120     0.957   95.238   93.651
LGA    H    20_A      H    20_A     0.162     0    0.223   0.198     1.132   95.357   96.238
LGA    N    21_A      N    21_A     0.573     0    0.031   0.749     3.128   92.857   80.238
LGA    G    22_A      G    22_A     0.681     0    0.046   0.046     0.681   90.476   90.476
LGA    G    23_A      G    23_A     0.555     0    0.078   0.078     1.019   88.214   88.214
LGA    L    24_A      L    24_A     0.653     0    0.282   1.491     3.704   82.262   72.202
LGA    N    25_A      N    25_A     0.070     0    0.040   0.069     0.448  100.000  100.000
LGA    A    26_A      A    26_A     0.564     0    0.214   0.225     1.880   88.452   88.857
LGA    I    27_A      I    27_A     0.552     0    0.022   0.085     1.303   95.238   91.726
LGA    N    28_A      N    28_A     0.629     0    0.071   0.184     1.694   95.238   88.393
LGA    P    29_A      P    29_A     0.909     0    0.019   0.043     1.318   90.476   86.599
LGA    S    30_A      S    30_A     1.123     0    0.014   0.079     1.501   85.952   83.016
LGA    K    31_A      K    31_A     0.778     0    0.128   0.537     1.608   90.476   86.508
LGA    T    32_A      T    32_A     0.311     0    0.021   0.090     0.459  100.000  100.000
LGA    L    33_A      L    33_A     0.262     0    0.010   0.146     0.470  100.000  100.000
LGA    K    34_A      K    34_A     0.310     0    0.044   0.927     5.583  100.000   79.894
LGA    M    35_A      M    35_A     0.218     0    0.031   0.100     0.603  100.000   98.810
LGA    A    36_A      A    36_A     0.330     0    0.014   0.014     0.432  100.000  100.000
LGA    D    37_A      D    37_A     0.380     0    0.020   0.123     0.883  100.000   96.429
LGA    L    38_A      L    38_A     0.291     0    0.019   0.066     0.479  100.000  100.000
LGA    E    39_A      E    39_A     0.301     0    0.022   0.930     3.075   97.619   81.640
LGA    A    40_A      A    40_A     0.370     0    0.063   0.066     0.580   97.619   98.095
LGA    N    41_A      N    41_A     0.413     0    0.018   0.096     0.613   95.238   96.429
LGA    G    42_A      G    42_A     0.585     0    0.017   0.017     0.641   90.476   90.476
LGA    K    43_A      K    43_A     0.517     0    0.077   0.604     1.646   95.238   91.693
LGA    N    44_A      N    44_A     0.326     0    0.262   0.215     1.436   92.976   91.786
LGA    S    45_A      S    45_A     0.274     0    0.022   0.072     0.414  100.000  100.000
LGA    V    46_A      V    46_A     0.134     0    0.020   0.034     0.443  100.000  100.000
LGA    A    47_A      A    47_A     0.253     0    0.009   0.015     0.369  100.000  100.000
LGA    A    48_A      A    48_A     0.435     0    0.046   0.053     0.508   97.619   98.095
LGA    I    49_A      I    49_A     0.341     0    0.021   0.069     0.430  100.000  100.000
LGA    V    50_A      V    50_A     0.213     0    0.016   0.036     0.266  100.000  100.000
LGA    A    51_A      A    51_A     0.331     0    0.020   0.027     0.352  100.000  100.000
LGA    Q    52_A      Q    52_A     0.398     0    0.000   0.800     2.826  100.000   88.995
LGA    I    53_A      I    53_A     0.330     0    0.004   0.051     0.386  100.000  100.000
LGA    T    54_A      T    54_A     0.359     0    0.027   0.032     0.474  100.000  100.000
LGA    N    55_A      N    55_A     0.349     0    0.031   0.112     0.800  100.000   96.429
LGA    G    56_A      G    56_A     0.243     0    0.021   0.021     0.551   97.619   97.619
LGA    N    57_A      N    57_A     0.668     0    0.156   0.532     2.141   95.238   87.381
LGA    G    58_A      G    58_A     0.503     0    0.026   0.026     0.591   92.857   92.857
LGA    A    59_A      A    59_A     0.393     0    0.115   0.122     0.750  100.000   98.095
LGA    M    60_A      M    60_A     0.402     0    0.006   0.106     0.670  100.000   98.810
LGA    P    61_A      P    61_A     0.516     0    0.028   0.035     0.772   95.238   93.197
LGA    G    62_A      G    62_A     0.419     0    0.045   0.045     0.468  100.000  100.000
LGA    F    63_A      F    63_A     0.536     0    0.061   0.096     0.854   90.476   90.476
LGA    K    64_A      K    64_A     0.693     0    0.016   0.974     7.031   92.857   70.529
LGA    G    65_A      G    65_A     0.803     0    0.038   0.038     0.948   90.476   90.476
LGA    R    66_A      R    66_A     0.673     0    0.112   1.053     3.778   90.476   78.225
LGA    I    67_A      I    67_A     0.656     0    0.096   1.118     2.637   90.476   81.905
LGA    S    68_A      S    68_A     0.197     0    0.048   0.081     0.298  100.000  100.000
LGA    D    69_A      D    69_A     0.231     0    0.006   0.244     1.215  100.000   96.488
LGA    S    70_A      S    70_A     0.331     0    0.031   0.720     1.770   97.619   93.889
LGA    D    71_A      D    71_A     0.447     0    0.073   0.261     1.407  100.000   92.976
LGA    M    72_A      M    72_A     0.281     0    0.036   0.138     0.559  100.000   98.810
LGA    E    73_A      E    73_A     0.355     0    0.004   0.713     2.761  100.000   88.307
LGA    D    74_A      D    74_A     0.334     0    0.013   0.068     0.519  100.000   98.810
LGA    V    75_A      V    75_A     0.416     0    0.032   1.107     2.371  100.000   88.571
LGA    A    76_A      A    76_A     0.344     0    0.009   0.027     0.391  100.000  100.000
LGA    A    77_A      A    77_A     0.324     0    0.023   0.027     0.414  100.000  100.000
LGA    Y    78_A      Y    78_A     0.382     0    0.017   0.097     0.521  100.000   99.206
LGA    V    79_A      V    79_A     0.334     0    0.012   0.039     0.384  100.000  100.000
LGA    L    80_A      L    80_A     0.096     0    0.028   0.179     0.475  100.000  100.000
LGA    D    81_A      D    81_A     0.291     0    0.016   0.066     0.462  100.000  100.000
LGA    Q    82_A      Q    82_A     0.295     0    0.015   1.058     2.528  100.000   90.265
LGA    A    83_A      A    83_A     0.307     0    0.014   0.014     0.401  100.000  100.000
LGA    E    84_A      E    84_A     0.331     0    0.030   1.141     4.217  100.000   77.249
LGA    K    85_A      K    85_A     0.954     0    0.004   0.976     3.264   85.952   79.101
LGA    G    86_A      G    86_A     1.428     0    0.526   0.526     3.564   69.762   69.762
LGA    W    87_A      W    87_A     0.922     0    0.648   0.846    11.131   77.738   30.102

# 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):     2.043          2.036                  2.166           92.749   89.022

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.52    96.264    97.264    13.619

LGA_LOCAL      RMSD:   0.517  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.166  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.043  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.621705 * X  +   0.455195 * Y  +  -0.637402 * Z  +  -1.902886
  Y_new =   0.635974 * X  +   0.768384 * Y  +  -0.071578 * Z  +  19.534210
  Z_new =   0.457187 * X  +  -0.449871 * Y  +  -0.767200 * Z  +  78.761856 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.344850 -0.474830 -2.611248   [DEG:  134.3500  -27.2058 -149.6135 ]
ZXZ: -1.458969  2.445261  2.348129   [DEG:  -83.5927  140.1031  134.5379 ]
 
# END of job
