
#######################################################
#                                                     #
#                        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        2.55     2.55
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       3_A - 60_A        1.96     3.01
  LONGEST_CONTINUOUS_SEGMENT:    58       4_A - 61_A        2.00     2.88
  LCS_AVERAGE:     71.72

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37      33_A - 69_A        0.96     4.47
  LONGEST_CONTINUOUS_SEGMENT:    37      34_A - 70_A        0.96     4.67
  LCS_AVERAGE:     41.21

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     34   58   79      4   25   30   36   43   53   66   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     4_A     L     4_A     34   58   79     20   29   35   43   52   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     5_A     L     5_A     34   58   79     20   29   35   43   51   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     6_A     C     6_A     34   58   79     20   29   35   43   53   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P     7_A     P     7_A     34   58   79     14   29   35   43   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     N     8_A     N     8_A     34   58   79     20   29   35   43   51   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     9_A     C     9_A     34   58   79     20   29   35   43   51   58   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    10_A     Q    10_A     34   58   79     17   29   35   43   51   58   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    11_A     V    11_A     34   58   79     14   29   35   43   51   58   68   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    12_A     G    12_A     34   58   79     20   29   35   43   51   59   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    13_A     M    13_A     34   58   79     20   29   35   43   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    14_A     R    14_A     34   58   79     20   29   35   43   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    15_A     E    15_A     34   58   79     17   29   35   44   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    16_A     V    16_A     34   58   79     20   29   35   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    17_A     E    17_A     34   58   79     20   29   35   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    18_A     R    18_A     34   58   79      7   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    19_A     R    19_A     34   58   79      6   24   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    20_A     G    20_A     34   58   79      7   28   35   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    21_A     V    21_A     34   58   79     18   29   35   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    22_A     L    22_A     34   58   79     14   29   35   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    23_A     I    23_A     34   58   79     20   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    24_A     D    24_A     34   58   79     20   29   35   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    25_A     V    25_A     34   58   79     20   29   35   44   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    26_A     C    26_A     34   58   79     20   29   35   43   53   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    27_A     P    27_A     34   58   79     20   29   35   43   51   59   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    28_A     Q    28_A     34   58   79     20   29   35   43   51   58   68   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    29_A     C    29_A     34   58   79     20   29   35   43   51   58   68   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    30_A     G    30_A     34   58   79     20   29   35   43   51   58   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    31_A     G    31_A     34   58   79     12   29   35   44   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    32_A     V    32_A     34   58   79     20   29   35   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     W    33_A     W    33_A     37   58   79     20   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    34_A     L    34_A     37   58   79     19   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    35_A     D    35_A     37   58   79      7   26   35   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    36_A     K    36_A     37   58   79      3   28   35   43   54   60   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    37_A     G    37_A     37   58   79     18   28   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    38_A     E    38_A     37   58   79     18   28   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    39_A     L    39_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    40_A     E    40_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    41_A     K    41_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    42_A     L    42_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    43_A     L    43_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    44_A     A    44_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    45_A     E    45_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    46_A     A    46_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    47_A     E    47_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    48_A     E    48_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    49_A     V    49_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    51_A     R    51_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    52_A     R    52_A     37   58   79     18   26   35   44   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    53_A     Y    53_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    54_A     E    54_A     37   58   79     18   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    55_A     E    55_A     37   58   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    56_A     E    56_A     37   58   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    57_A     L    57_A     37   58   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    58_A     E    58_A     37   58   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    59_A     G    59_A     37   58   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    60_A     F    60_A     37   58   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    61_A     Y    61_A     37   58   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    62_A     R    62_A     37   56   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    63_A     K    63_A     37   56   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     37   56   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    65_A     G    65_A     37   56   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    66_A     K    66_A     37   56   79     17   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    67_A     P    67_A     37   56   79      4   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    68_A     Y    68_A     37   56   79      4   29   36   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    69_A     K    69_A     37   51   79      3   18   24   38   48   57   67   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    70_A     R    70_A     37   51   79      6   15   24   44   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     35   51   79      3   13   23   43   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    72_A     K    72_A     25   51   79      3    5   17   27   34   56   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    73_A     G    73_A     24   51   79      5   24   35   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    74_A     F    74_A      8   51   79      4   10   22   29   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    75_A     M    75_A      8   51   79      4    7   23   46   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    76_A     K    76_A      8   51   79      4   17   34   45   54   62   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    77_A     L    77_A      8   51   79      4    7   22   29   45   59   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    78_A     F    78_A      8   51   79      3    7   22   29   35   53   68   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    79_A     D    79_A      8   51   79      3    7   23   32   45   61   69   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    80_A     L    80_A      8   51   79      3    8   21   28   34   39   56   76   78   78   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    81_A     F    81_A      6   50   79      3    3    8   12   23   30   35   45   73   77   79   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  70.98  (  41.21   71.72  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     20     29     36     46     54     62     69     76     78     78     79     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  25.32  36.71  45.57  58.23  68.35  78.48  87.34  96.20  98.73  98.73 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.53   0.95   1.27   1.51   1.92   2.19   2.41   2.48   2.48   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55
GDT RMS_ALL_AT   9.07   8.60   3.71   3.29   3.14   2.67   2.58   2.56   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55   2.55

# 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    54_A      E    54_A
#   possible swapping detected:  E    55_A      E    55_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
#   possible swapping detected:  F    74_A      F    74_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     3.901     0    0.491   1.379     9.888   40.714   23.631
LGA    L     4_A      L     4_A     2.416     0    0.051   1.347     4.337   62.857   56.667
LGA    L     5_A      L     5_A     2.685     4    0.018   0.018     2.685   62.976   31.488
LGA    C     6_A      C     6_A     1.807     0    0.011   0.130     2.158   68.810   67.460
LGA    P     7_A      P     7_A     1.280     0    0.030   0.212     1.703   77.143   81.565
LGA    N     8_A      N     8_A     2.552     0    0.141   0.849     4.313   54.286   56.667
LGA    C     9_A      C     9_A     3.671     0    0.019   0.114     4.314   43.452   43.413
LGA    Q    10_A      Q    10_A     3.655     0    0.093   1.104     5.567   43.452   36.984
LGA    V    11_A      V    11_A     4.182     0    0.068   0.107     5.071   41.905   38.299
LGA    G    12_A      G    12_A     3.080     0    0.012   0.012     3.467   53.571   53.571
LGA    M    13_A      M    13_A     1.491     0    0.036   0.971     3.420   70.952   74.524
LGA    R    14_A      R    14_A     1.214     0    0.116   1.213     5.335   83.690   65.022
LGA    E    15_A      E    15_A     0.562     0    0.034   0.746     2.193   92.857   84.709
LGA    V    16_A      V    16_A     0.985     0    0.053   0.070     1.279   85.952   85.306
LGA    E    17_A      E    17_A     1.572     0    0.021   0.217     1.907   81.548   76.720
LGA    R    18_A      R    18_A     1.630     3    0.024   0.166     2.101   70.833   53.030
LGA    R    19_A      R    19_A     1.743     5    0.026   0.413     2.266   68.810   38.268
LGA    G    20_A      G    20_A     2.348     0    0.117   0.117     2.774   62.976   62.976
LGA    V    21_A      V    21_A     3.044     0    0.039   0.102     3.675   57.262   52.245
LGA    L    22_A      L    22_A     2.475     0    0.057   0.850     4.691   62.857   55.893
LGA    I    23_A      I    23_A     1.977     0    0.049   0.276     2.806   75.119   68.988
LGA    D    24_A      D    24_A     0.915     0    0.063   0.284     2.123   85.952   81.667
LGA    V    25_A      V    25_A     1.242     0    0.029   0.091     1.970   83.690   79.048
LGA    C    26_A      C    26_A     2.005     0    0.054   0.082     2.752   64.881   63.571
LGA    P    27_A      P    27_A     3.144     0    0.009   0.035     4.074   46.905   49.252
LGA    Q    28_A      Q    28_A     4.174     0    0.061   0.830     4.463   38.690   39.206
LGA    C    29_A      C    29_A     3.936     0    0.063   0.090     4.114   41.786   44.603
LGA    G    30_A      G    30_A     3.467     0    0.028   0.028     3.516   48.333   48.333
LGA    G    31_A      G    31_A     2.180     0    0.100   0.100     2.549   66.905   66.905
LGA    V    32_A      V    32_A     1.988     0    0.052   1.092     4.435   68.810   64.286
LGA    W    33_A      W    33_A     1.714     0    0.040   1.104     6.127   72.857   57.347
LGA    L    34_A      L    34_A     2.275     0    0.091   0.655     3.209   62.857   62.024
LGA    D    35_A      D    35_A     2.496     0    0.062   0.170     2.662   60.952   62.857
LGA    K    36_A      K    36_A     3.443     0    0.605   1.001     9.056   42.381   32.011
LGA    G    37_A      G    37_A     1.947     0    0.098   0.098     2.134   68.810   68.810
LGA    E    38_A      E    38_A     2.156     0    0.032   0.957     3.048   64.762   66.825
LGA    L    39_A      L    39_A     1.762     0    0.031   0.038     1.879   72.857   73.929
LGA    E    40_A      E    40_A     1.528     0    0.019   0.034     1.817   72.857   76.667
LGA    K    41_A      K    41_A     2.162     0    0.049   0.166     3.297   66.786   62.328
LGA    L    42_A      L    42_A     2.181     0    0.024   1.369     5.656   68.810   55.238
LGA    L    43_A      L    43_A     1.437     0    0.078   0.099     1.657   79.286   81.488
LGA    A    44_A      A    44_A     1.784     0    0.060   0.074     1.991   72.857   72.857
LGA    E    45_A      E    45_A     2.436     0    0.014   0.931     3.197   64.762   62.275
LGA    A    46_A      A    46_A     1.884     0    0.037   0.047     2.069   75.119   74.667
LGA    E    47_A      E    47_A     1.133     0    0.036   0.752     2.766   81.429   78.730
LGA    E    48_A      E    48_A     2.114     0    0.023   1.142     4.784   66.786   50.847
LGA    V    49_A      V    49_A     2.140     0    0.030   0.054     2.761   68.810   65.986
LGA    E    50_A      E    50_A     1.069     0    0.048   0.574     2.624   85.952   73.651
LGA    R    51_A      R    51_A     1.338     0    0.047   0.991     5.759   81.429   58.009
LGA    R    52_A      R    52_A     1.929     0    0.036   1.391     7.187   72.857   55.238
LGA    Y    53_A      Y    53_A     1.362     0    0.016   0.348     3.250   85.952   71.508
LGA    E    54_A      E    54_A     0.548     0    0.082   0.821     3.781   95.238   83.598
LGA    E    55_A      E    55_A     0.633     0    0.030   0.215     1.551   95.238   87.619
LGA    E    56_A      E    56_A     0.751     0    0.016   0.871     4.128   90.476   68.571
LGA    L    57_A      L    57_A     1.191     0    0.059   0.058     1.982   81.548   78.274
LGA    E    58_A      E    58_A     1.280     0    0.044   0.832     3.922   81.548   73.492
LGA    G    59_A      G    59_A     0.880     0    0.013   0.013     1.429   85.952   85.952
LGA    F    60_A      F    60_A     1.741     0    0.067   1.239     4.667   70.952   59.740
LGA    Y    61_A      Y    61_A     2.521     0    0.014   0.206     3.393   59.048   54.802
LGA    R    62_A      R    62_A     2.391     0    0.027   1.200     6.016   62.857   54.589
LGA    K    63_A      K    63_A     2.391     2    0.057   0.682     4.073   60.952   46.508
LGA    E    64_A      E    64_A     3.217     0    0.018   0.342     3.671   50.119   50.053
LGA    G    65_A      G    65_A     3.434     0    0.096   0.096     3.434   50.000   50.000
LGA    K    66_A      K    66_A     3.273     3    0.026   0.029     3.420   51.786   34.127
LGA    P    67_A      P    67_A     2.962     0    0.113   0.394     3.883   55.357   53.129
LGA    Y    68_A      Y    68_A     3.063     0    0.018   0.047     3.378   50.000   62.540
LGA    K    69_A      K    69_A     4.065     2    0.117   0.538     7.165   45.119   26.138
LGA    R    70_A      R    70_A     2.743     0    0.088   1.215     8.366   55.357   40.606
LGA    K    71_A      K    71_A     2.451     0    0.674   0.940     4.962   71.310   54.603
LGA    K    72_A      K    72_A     3.747     0    0.395   0.719    11.174   50.238   30.159
LGA    G    73_A      G    73_A     1.740     0    0.605   0.605     2.669   66.905   66.905
LGA    F    74_A      F    74_A     2.843     0    0.053   1.307     8.674   60.952   33.074
LGA    M    75_A      M    75_A     1.979     0    0.076   0.919     2.535   70.833   68.869
LGA    K    76_A      K    76_A     2.363     0    0.163   0.444     6.435   62.976   47.460
LGA    L    77_A      L    77_A     3.202     0    0.087   0.175     4.709   51.786   44.643
LGA    F    78_A      F    78_A     3.679     0    0.195   0.640     6.939   43.452   30.909
LGA    D    79_A      D    79_A     3.084     0    0.043   0.178     3.567   48.333   55.714
LGA    L    80_A      L    80_A     4.441     0    0.019   0.966     9.902   32.024   21.131
LGA    F    81_A      F    81_A     6.061     0    0.223   0.307     8.852   19.405   11.472

# 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):     2.547          2.555                  3.246           64.771   58.003

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     76    2.41    72.785    76.502     3.023

LGA_LOCAL      RMSD:   2.414  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.555  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   2.547  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.652906 * X  +  -0.151519 * Y  +  -0.742129 * Z  + -11.355001
  Y_new =  -0.327060 * X  +   0.940136 * Y  +   0.095793 * Z  +  -9.485328
  Z_new =   0.683188 * X  +   0.305264 * Y  +  -0.663376 * Z  +  19.187761 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.677202 -0.752120  2.710315   [DEG: -153.3924  -43.0933  155.2896 ]
ZXZ: -1.699165  2.296118  1.150587   [DEG:  -97.3550  131.5579   65.9238 ]
 
# END of job
