
#######################################################
#                                                     #
#                        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   82 (  674),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  632),  selected   79 , 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:    79       3_A - 81_A        1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       3_A - 81_A        1.90     1.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    51       4_A - 54_A        1.00     2.44
  LCS_AVERAGE:     55.71

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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     L     3_A     L     3_A     50   79   79      3   31   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     4_A     L     4_A     51   79   79     18   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     5_A     L     5_A     51   79   79     16   36   47   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     6_A     C     6_A     51   79   79     18   36   50   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P     7_A     P     7_A     51   79   79      8   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     N     8_A     N     8_A     51   79   79     18   35   47   55   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     9_A     C     9_A     51   79   79     18   35   47   54   65   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    10_A     Q    10_A     51   79   79     16   35   47   54   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    11_A     V    11_A     51   79   79      8   24   47   54   62   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    12_A     G    12_A     51   79   79     18   36   47   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    13_A     M    13_A     51   79   79     18   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    14_A     R    14_A     51   79   79     19   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    15_A     E    15_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    16_A     V    16_A     51   79   79     20   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    17_A     E    17_A     51   79   79     12   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    18_A     R    18_A     51   79   79     19   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    19_A     R    19_A     51   79   79     17   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    20_A     G    20_A     51   79   79      7   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    21_A     V    21_A     51   79   79     12   35   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    22_A     L    22_A     51   79   79      7   35   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    23_A     I    23_A     51   79   79     18   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    24_A     D    24_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    25_A     V    25_A     51   79   79     18   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    26_A     C    26_A     51   79   79     18   36   50   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    27_A     P    27_A     51   79   79     18   36   47   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    28_A     Q    28_A     51   79   79     18   35   47   55   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    29_A     C    29_A     51   79   79     18   35   47   54   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    30_A     G    30_A     51   79   79     18   35   47   55   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    31_A     G    31_A     51   79   79      5   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    32_A     V    32_A     51   79   79     18   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     W    33_A     W    33_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    34_A     L    34_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    35_A     D    35_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    36_A     K    36_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    37_A     G    37_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    38_A     E    38_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    39_A     L    39_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    40_A     E    40_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    41_A     K    41_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    42_A     L    42_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    43_A     L    43_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    44_A     A    44_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    45_A     E    45_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    46_A     A    46_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    47_A     E    47_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    48_A     E    48_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    49_A     V    49_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    51_A     R    51_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    52_A     R    52_A     51   79   79     21   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    53_A     Y    53_A     51   79   79     15   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    54_A     E    54_A     51   79   79     20   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    55_A     E    55_A     46   79   79     19   36   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    56_A     E    56_A     46   79   79     16   34   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    57_A     L    57_A     46   79   79     16   33   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    58_A     E    58_A     46   79   79     16   33   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    59_A     G    59_A     40   79   79     16   32   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    60_A     F    60_A     40   79   79     16   31   50   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    61_A     Y    61_A     40   79   79     16   32   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    62_A     R    62_A     40   79   79     16   32   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    63_A     K    63_A     40   79   79     16   28   46   58   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     40   79   79     16   28   46   58   65   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    65_A     G    65_A     40   79   79     16   28   50   58   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    66_A     K    66_A     40   79   79     16   32   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    67_A     P    67_A     40   79   79      9   32   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    68_A     Y    68_A     40   79   79      4   32   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    69_A     K    69_A     40   79   79      3   20   47   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    70_A     R    70_A     40   79   79      3   20   51   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     40   79   79      3   18   41   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    72_A     K    72_A     27   79   79      3    4    7   21   35   48   71   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    73_A     G    73_A     23   79   79      4   30   47   54   62   70   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    74_A     F    74_A      9   79   79      5   18   27   51   64   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    75_A     M    75_A      9   79   79      4   34   46   59   66   71   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    76_A     K    76_A      9   79   79      4   23   47   54   62   70   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    77_A     L    77_A      9   79   79      4   19   27   48   60   68   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    78_A     F    78_A      9   79   79      3   14   27   35   60   65   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    79_A     D    79_A      9   79   79      3    6   27   39   60   68   76   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    80_A     L    80_A      9   79   79      3   18   27   34   46   64   74   78   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    81_A     F    81_A      9   79   79      3    5    9   10   19   35   44   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  85.24  (  55.71  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     21     36     51     59     66     71     76     78     79     79     79     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  26.58  45.57  64.56  74.68  83.54  89.87  96.20  98.73 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.60   1.02   1.20   1.39   1.54   1.77   1.85   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90
GDT RMS_ALL_AT   2.13   2.09   2.01   1.97   1.96   1.95   1.91   1.91   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90   1.90

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    17_A      E    17_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  Y    53_A      Y    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    68_A      Y    68_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     1.325     0    0.198   1.376     2.796   79.405   74.226
LGA    L     4_A      L     4_A     1.133     0    0.034   0.335     2.485   83.690   81.607
LGA    L     5_A      L     5_A     1.857     4    0.021   0.021     1.857   75.000   37.500
LGA    C     6_A      C     6_A     1.591     0    0.034   0.080     2.196   70.833   71.508
LGA    P     7_A      P     7_A     1.504     0    0.034   0.038     2.022   72.976   79.184
LGA    N     8_A      N     8_A     2.466     0    0.164   0.801     4.079   56.190   55.774
LGA    C     9_A      C     9_A     2.924     0    0.020   0.114     3.281   55.357   55.952
LGA    Q    10_A      Q    10_A     2.874     0    0.070   1.242     5.516   55.357   47.778
LGA    V    11_A      V    11_A     3.101     0    0.090   1.178     4.673   55.476   51.497
LGA    G    12_A      G    12_A     1.717     0    0.021   0.021     2.143   72.976   72.976
LGA    M    13_A      M    13_A     0.731     0    0.015   0.948     2.944   88.214   85.179
LGA    R    14_A      R    14_A     0.485     0    0.112   1.105     7.511   95.238   63.723
LGA    E    15_A      E    15_A     0.537     0    0.025   0.754     2.639   90.476   81.958
LGA    V    16_A      V    16_A     0.934     0    0.044   0.062     1.322   90.476   87.891
LGA    E    17_A      E    17_A     1.056     0    0.027   0.258     2.004   88.333   83.651
LGA    R    18_A      R    18_A     0.611     3    0.034   0.179     1.065   90.476   64.978
LGA    R    19_A      R    19_A     0.500     5    0.040   0.447     2.232   95.238   48.745
LGA    G    20_A      G    20_A     1.276     0    0.074   0.074     1.750   81.548   81.548
LGA    V    21_A      V    21_A     1.720     0    0.024   0.138     2.510   77.143   73.061
LGA    L    22_A      L    22_A     1.654     0    0.093   0.918     4.670   72.857   64.702
LGA    I    23_A      I    23_A     1.411     0    0.040   0.260     1.917   83.690   80.417
LGA    D    24_A      D    24_A     0.753     0    0.101   0.273     1.163   88.214   88.214
LGA    V    25_A      V    25_A     1.097     0    0.027   0.089     1.347   85.952   84.014
LGA    C    26_A      C    26_A     1.406     0    0.062   0.084     1.785   77.143   75.714
LGA    P    27_A      P    27_A     1.860     0    0.013   0.037     2.300   68.810   70.544
LGA    Q    28_A      Q    28_A     2.410     0    0.086   0.153     2.677   64.762   61.376
LGA    C    29_A      C    29_A     2.578     0    0.062   0.102     2.594   59.048   59.683
LGA    G    30_A      G    30_A     2.305     0    0.019   0.019     2.394   68.810   68.810
LGA    G    31_A      G    31_A     1.225     0    0.096   0.096     1.643   79.286   79.286
LGA    V    32_A      V    32_A     1.178     0    0.038   1.107     3.502   85.952   76.190
LGA    W    33_A      W    33_A     0.640     0    0.024   0.353     2.655   90.476   81.973
LGA    L    34_A      L    34_A     0.769     0    0.054   0.717     2.083   90.476   85.060
LGA    D    35_A      D    35_A     0.697     0    0.090   1.234     4.661   90.476   75.714
LGA    K    36_A      K    36_A     1.074     0    0.020   0.834     5.681   88.214   70.794
LGA    G    37_A      G    37_A     0.872     0    0.011   0.011     0.890   90.476   90.476
LGA    E    38_A      E    38_A     0.665     0    0.043   0.985     4.338   90.476   76.349
LGA    L    39_A      L    39_A     0.759     0    0.058   0.060     0.872   90.476   90.476
LGA    E    40_A      E    40_A     0.803     0    0.017   0.081     1.016   88.214   89.471
LGA    K    41_A      K    41_A     0.953     0    0.041   0.153     1.268   88.214   86.455
LGA    L    42_A      L    42_A     0.973     0    0.023   1.355     4.073   90.476   72.560
LGA    L    43_A      L    43_A     0.823     0    0.087   0.092     0.878   90.476   90.476
LGA    A    44_A      A    44_A     0.954     0    0.036   0.050     1.040   88.214   86.857
LGA    E    45_A      E    45_A     1.168     0    0.018   0.924     2.949   81.429   74.974
LGA    A    46_A      A    46_A     1.034     0    0.046   0.053     1.145   85.952   85.048
LGA    E    47_A      E    47_A     0.835     0    0.021   0.761     2.631   90.476   81.852
LGA    E    48_A      E    48_A     1.110     0    0.037   0.902     3.173   81.429   72.434
LGA    V    49_A      V    49_A     1.068     0    0.014   0.037     1.254   85.952   84.014
LGA    E    50_A      E    50_A     0.848     0    0.049   0.439     1.984   90.476   87.513
LGA    R    51_A      R    51_A     0.928     0    0.051   0.995     4.170   90.476   70.433
LGA    R    52_A      R    52_A     1.116     0    0.025   1.403     6.415   83.690   66.883
LGA    Y    53_A      Y    53_A     1.065     0    0.008   1.186     6.273   85.952   65.079
LGA    E    54_A      E    54_A     0.678     0    0.080   0.882     4.385   90.476   77.989
LGA    E    55_A      E    55_A     0.369     0    0.019   0.209     0.684   95.238   96.825
LGA    E    56_A      E    56_A     1.134     0    0.015   0.874     4.517   83.690   66.402
LGA    L    57_A      L    57_A     1.248     0    0.066   0.059     1.724   81.429   80.357
LGA    E    58_A      E    58_A     0.935     0    0.044   0.254     1.507   83.810   86.508
LGA    G    59_A      G    59_A     1.515     0    0.013   0.013     2.080   72.976   72.976
LGA    F    60_A      F    60_A     2.062     0    0.077   1.234     5.413   66.786   52.684
LGA    Y    61_A      Y    61_A     2.008     0    0.020   0.154     2.289   66.786   70.833
LGA    R    62_A      R    62_A     2.055     0    0.026   0.776     3.458   66.786   63.506
LGA    K    63_A      K    63_A     2.721     2    0.057   0.689     5.166   59.048   41.852
LGA    E    64_A      E    64_A     2.948     0    0.019   0.451     3.164   57.143   55.556
LGA    G    65_A      G    65_A     2.726     0    0.080   0.080     2.726   60.952   60.952
LGA    K    66_A      K    66_A     2.039     3    0.010   0.024     2.232   68.810   45.873
LGA    P    67_A      P    67_A     1.833     0    0.098   0.399     2.351   75.000   72.925
LGA    Y    68_A      Y    68_A     2.035     0    0.007   0.099     2.320   68.810   74.365
LGA    K    69_A      K    69_A     2.385     2    0.112   0.542     5.395   68.810   42.540
LGA    R    70_A      R    70_A     1.448     0    0.074   1.315     7.729   75.000   54.935
LGA    K    71_A      K    71_A     1.883     0    0.660   1.002     4.378   72.857   59.683
LGA    K    72_A      K    72_A     3.879     0    0.400   0.684    12.015   54.048   30.847
LGA    G    73_A      G    73_A     3.205     0    0.630   0.630     3.852   50.119   50.119
LGA    F    74_A      F    74_A     2.550     0    0.054   1.285     8.551   62.857   38.139
LGA    M    75_A      M    75_A     1.692     0    0.066   0.224     2.140   68.810   71.905
LGA    K    76_A      K    76_A     3.256     0    0.190   0.368     7.321   51.786   36.032
LGA    L    77_A      L    77_A     3.519     0    0.124   0.239     4.974   48.333   42.083
LGA    F    78_A      F    78_A     3.553     0    0.160   0.135     4.018   43.452   43.377
LGA    D    79_A      D    79_A     3.390     0    0.025   0.186     3.613   48.333   51.905
LGA    L    80_A      L    80_A     3.779     0    0.019   1.291     8.833   40.476   28.571
LGA    F    81_A      F    81_A     4.460     0    0.167   0.142     6.319   37.143   28.139

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     632    632  100.00                79
SUMMARY(RMSD_GDC):     1.905          1.886                  2.579           75.711   68.234

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     78    1.85    79.747    89.296     3.998

LGA_LOCAL      RMSD:   1.851  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.906  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   1.905  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.568820 * X  +  -0.350776 * Y  +   0.743909 * Z  + -11.627700
  Y_new =   0.732523 * X  +   0.627338 * Y  +  -0.264305 * Z  +  -7.624281
  Z_new =  -0.373971 * X  +   0.695272 * Y  +   0.613794 * Z  +  19.073967 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.910536  0.383287  0.847559   [DEG:   52.1699   21.9607   48.5616 ]
ZXZ:  1.229415  0.909939 -0.493488   [DEG:   70.4403   52.1357  -28.2748 ]
 
# END of job
