
#######################################################
#                                                     #
#                        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        1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       3_A - 81_A        1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52       3_A - 54_A        0.99     2.24
  LONGEST_CONTINUOUS_SEGMENT:    52       4_A - 55_A        1.00     2.17
  LCS_AVERAGE:     59.35

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     52   79   79     21   32   48   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     4_A     L     4_A     52   79   79     21   35   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     5_A     L     5_A     52   79   79     21   32   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     6_A     C     6_A     52   79   79     21   35   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P     7_A     P     7_A     52   79   79     15   35   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     N     8_A     N     8_A     52   79   79     21   32   48   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     9_A     C     9_A     52   79   79     21   32   48   57   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    10_A     Q    10_A     52   79   79     20   31   48   57   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    11_A     V    11_A     52   79   79      9   27   45   57   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    12_A     G    12_A     52   79   79     21   34   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    13_A     M    13_A     52   79   79     21   36   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    14_A     R    14_A     52   79   79     21   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    15_A     E    15_A     52   79   79     21   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    16_A     V    16_A     52   79   79     16   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    17_A     E    17_A     52   79   79     15   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    18_A     R    18_A     52   79   79      7   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    19_A     R    19_A     52   79   79      7   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    20_A     G    20_A     52   79   79      7   11   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    21_A     V    21_A     52   79   79     15   32   50   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    22_A     L    22_A     52   79   79      7   31   50   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    23_A     I    23_A     52   79   79     21   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    24_A     D    24_A     52   79   79     21   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    25_A     V    25_A     52   79   79     21   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    26_A     C    26_A     52   79   79     21   35   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    27_A     P    27_A     52   79   79     21   35   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    28_A     Q    28_A     52   79   79     21   32   48   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    29_A     C    29_A     52   79   79     21   32   48   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    30_A     G    30_A     52   79   79     21   32   48   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    31_A     G    31_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    32_A     V    32_A     52   79   79     21   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     W    33_A     W    33_A     52   79   79     21   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    34_A     L    34_A     52   79   79     21   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    35_A     D    35_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    36_A     K    36_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    37_A     G    37_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    38_A     E    38_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    39_A     L    39_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    40_A     E    40_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    41_A     K    41_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    42_A     L    42_A     52   79   79     18   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    43_A     L    43_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    44_A     A    44_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    45_A     E    45_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    46_A     A    46_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    47_A     E    47_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    48_A     E    48_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    49_A     V    49_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    51_A     R    51_A     52   79   79     16   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    52_A     R    52_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    53_A     Y    53_A     52   79   79     15   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    54_A     E    54_A     52   79   79     19   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    55_A     E    55_A     52   79   79     18   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    56_A     E    56_A     49   79   79     14   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    57_A     L    57_A     49   79   79     14   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    58_A     E    58_A     49   79   79     15   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    59_A     G    59_A     49   79   79     15   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    60_A     F    60_A     49   79   79     14   37   51   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    61_A     Y    61_A     49   79   79     14   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    62_A     R    62_A     41   79   79     14   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    63_A     K    63_A     41   79   79     14   25   50   64   69   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     41   79   79     14   28   50   63   69   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    65_A     G    65_A     41   79   79     14   26   50   64   69   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    66_A     K    66_A     41   79   79     14   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    67_A     P    67_A     41   79   79     12   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    68_A     Y    68_A     41   79   79     12   37   52   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    69_A     K    69_A     41   79   79      3    4   28   64   69   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    70_A     R    70_A     41   79   79      3   20   50   64   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     41   79   79      3   19   46   62   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    72_A     K    72_A     31   79   79      3    8   26   53   65   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    73_A     G    73_A     31   79   79      5   19   45   57   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    74_A     F    74_A     31   79   79      7   20   28   57   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    75_A     M    75_A     31   79   79      4   19   28   57   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    76_A     K    76_A     31   79   79      4    8   26   57   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    77_A     L    77_A     31   79   79      4    8   29   57   70   75   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    78_A     F    78_A     29   79   79      3    8   26   32   41   61   75   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    79_A     D    79_A     11   79   79      3    8   23   31   35   45   72   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    80_A     L    80_A     11   79   79      3    7   24   32   36   73   76   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    81_A     F    81_A      7   79   79      3    3   16   22   29   42   56   79   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  86.45  (  59.35  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     37     52     64     70     75     76     79     79     79     79     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  26.58  46.84  65.82  81.01  88.61  94.94  96.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.64   1.00   1.21   1.43   1.54   1.59   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77
GDT RMS_ALL_AT   5.13   1.97   1.84   1.84   1.80   1.78   1.78   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77

# Checking swapping
#   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:  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     1.523     0    0.482   1.450     6.626   69.286   47.500
LGA    L     4_A      L     4_A     1.112     0    0.017   0.882     3.605   83.690   76.726
LGA    L     5_A      L     5_A     1.528     4    0.024   0.024     1.528   79.286   39.643
LGA    C     6_A      C     6_A     1.169     0    0.036   0.088     1.741   79.286   80.000
LGA    P     7_A      P     7_A     0.993     0    0.033   0.039     1.378   85.952   89.252
LGA    N     8_A      N     8_A     1.869     0    0.166   0.749     3.385   67.262   68.036
LGA    C     9_A      C     9_A     2.436     0    0.032   0.088     2.860   60.952   59.683
LGA    Q    10_A      Q    10_A     2.400     0    0.083   1.197     4.622   60.952   53.704
LGA    V    11_A      V    11_A     2.671     0    0.089   1.144     4.165   60.952   56.463
LGA    G    12_A      G    12_A     1.434     0    0.025   0.025     1.780   79.286   79.286
LGA    M    13_A      M    13_A     0.383     0    0.007   0.906     3.127   95.238   91.369
LGA    R    14_A      R    14_A     0.300     0    0.100   1.218     8.661   97.619   61.126
LGA    E    15_A      E    15_A     0.694     0    0.031   0.696     2.197   90.476   83.704
LGA    V    16_A      V    16_A     1.112     0    0.022   0.041     1.387   83.690   84.014
LGA    E    17_A      E    17_A     1.278     0    0.029   0.245     2.179   85.952   79.683
LGA    R    18_A      R    18_A     0.897     3    0.035   0.205     1.288   85.952   63.333
LGA    R    19_A      R    19_A     0.719     5    0.019   0.429     2.343   88.214   46.190
LGA    G    20_A      G    20_A     1.662     0    0.096   0.096     2.074   72.976   72.976
LGA    V    21_A      V    21_A     2.113     0    0.011   0.108     2.746   70.833   67.143
LGA    L    22_A      L    22_A     2.082     0    0.063   0.887     4.808   66.786   58.810
LGA    I    23_A      I    23_A     1.671     0    0.021   1.181     3.986   79.405   70.476
LGA    D    24_A      D    24_A     0.923     0    0.061   0.293     1.580   88.214   87.143
LGA    V    25_A      V    25_A     0.901     0    0.026   0.076     1.042   90.476   89.184
LGA    C    26_A      C    26_A     0.951     0    0.062   0.093     1.315   85.952   84.444
LGA    P    27_A      P    27_A     1.381     0    0.021   0.040     1.873   77.143   78.980
LGA    Q    28_A      Q    28_A     1.808     0    0.084   0.167     2.140   72.857   69.259
LGA    C    29_A      C    29_A     1.972     0    0.088   0.243     2.020   70.833   74.444
LGA    G    30_A      G    30_A     1.836     0    0.019   0.019     1.844   72.857   72.857
LGA    G    31_A      G    31_A     1.153     0    0.109   0.109     1.338   81.429   81.429
LGA    V    32_A      V    32_A     1.236     0    0.032   1.080     3.465   81.429   74.558
LGA    W    33_A      W    33_A     0.979     0    0.044   0.435     2.570   85.952   81.258
LGA    L    34_A      L    34_A     1.131     0    0.059   0.621     1.992   81.429   80.417
LGA    D    35_A      D    35_A     1.051     0    0.089   1.243     5.121   83.690   67.798
LGA    K    36_A      K    36_A     1.404     0    0.020   0.816     5.489   81.429   66.614
LGA    G    37_A      G    37_A     1.283     0    0.009   0.009     1.308   81.429   81.429
LGA    E    38_A      E    38_A     0.955     0    0.051   0.984     4.076   88.214   76.984
LGA    L    39_A      L    39_A     0.977     0    0.075   0.080     1.157   88.214   87.083
LGA    E    40_A      E    40_A     0.892     0    0.028   0.107     1.115   85.952   88.466
LGA    K    41_A      K    41_A     1.102     0    0.051   0.191     1.735   81.429   80.476
LGA    L    42_A      L    42_A     1.229     0    0.033   1.365     4.632   83.690   68.452
LGA    L    43_A      L    43_A     0.993     0    0.070   0.088     1.087   88.214   85.952
LGA    A    44_A      A    44_A     0.974     0    0.041   0.056     1.083   88.214   88.667
LGA    E    45_A      E    45_A     1.280     0    0.008   0.992     2.690   81.429   74.974
LGA    A    46_A      A    46_A     1.070     0    0.045   0.052     1.167   85.952   85.048
LGA    E    47_A      E    47_A     0.716     0    0.018   0.418     1.587   90.476   86.508
LGA    E    48_A      E    48_A     1.085     0    0.032   0.910     2.902   83.690   75.132
LGA    V    49_A      V    49_A     1.086     0    0.017   0.043     1.329   85.952   84.014
LGA    E    50_A      E    50_A     0.763     0    0.044   0.535     1.705   90.476   88.519
LGA    R    51_A      R    51_A     0.869     0    0.046   0.984     3.976   90.476   73.853
LGA    R    52_A      R    52_A     1.033     0    0.020   1.355     6.384   85.952   65.498
LGA    Y    53_A      Y    53_A     0.835     0    0.008   1.187     6.678   90.476   65.079
LGA    E    54_A      E    54_A     0.469     0    0.057   0.915     4.460   97.619   81.164
LGA    E    55_A      E    55_A     0.105     0    0.020   0.179     0.458  100.000  100.000
LGA    E    56_A      E    56_A     0.791     0    0.017   0.875     4.218   90.595   71.693
LGA    L    57_A      L    57_A     0.852     0    0.056   0.057     1.370   90.476   87.083
LGA    E    58_A      E    58_A     0.691     0    0.038   0.787     3.241   88.214   78.201
LGA    G    59_A      G    59_A     1.156     0    0.016   0.016     1.756   81.548   81.548
LGA    F    60_A      F    60_A     1.639     0    0.064   1.217     5.678   75.000   56.190
LGA    Y    61_A      Y    61_A     1.510     0    0.016   0.064     1.823   75.000   79.286
LGA    R    62_A      R    62_A     1.758     0    0.028   1.047     4.225   68.810   63.939
LGA    K    63_A      K    63_A     2.407     2    0.062   0.680     4.953   62.857   44.974
LGA    E    64_A      E    64_A     2.436     0    0.017   0.752     2.544   64.762   65.714
LGA    G    65_A      G    65_A     2.375     0    0.065   0.065     2.375   68.810   68.810
LGA    K    66_A      K    66_A     1.530     3    0.010   0.035     1.754   75.000   51.429
LGA    P    67_A      P    67_A     1.471     0    0.079   0.378     1.603   83.690   81.497
LGA    Y    68_A      Y    68_A     1.563     0    0.011   0.138     1.850   75.000   83.056
LGA    K    69_A      K    69_A     2.171     2    0.126   0.494     5.381   72.976   44.392
LGA    R    70_A      R    70_A     1.327     0    0.043   1.010     5.855   77.143   61.126
LGA    K    71_A      K    71_A     1.797     0    0.642   0.855     5.810   77.143   55.608
LGA    K    72_A      K    72_A     2.972     0    0.256   0.610     6.251   53.571   45.873
LGA    G    73_A      G    73_A     2.257     0    0.085   0.085     2.587   60.952   60.952
LGA    F    74_A      F    74_A     2.660     0    0.036   1.252     7.182   57.143   42.078
LGA    M    75_A      M    75_A     2.725     0    0.051   0.889     5.631   57.143   50.060
LGA    K    76_A      K    76_A     2.740     0    0.121   0.489     5.524   57.143   47.989
LGA    L    77_A      L    77_A     2.733     0    0.075   0.415     2.997   57.143   59.107
LGA    F    78_A      F    78_A     4.002     0    0.186   0.180     5.095   37.262   32.597
LGA    D    79_A      D    79_A     4.158     0    0.038   0.178     4.887   38.690   38.750
LGA    L    80_A      L    80_A     3.575     0    0.026   1.310     7.827   41.786   33.988
LGA    F    81_A      F    81_A     4.477     0    0.168   0.148     4.963   34.286   34.026

# 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):     1.771          1.785                  2.430           77.060   69.554

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     79    1.77    81.962    90.645     4.222

LGA_LOCAL      RMSD:   1.771  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.771  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   1.771  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.916319 * X  +   0.058445 * Y  +  -0.396160 * Z  + -11.879716
  Y_new =   0.197961 * X  +  -0.793844 * Y  +  -0.574999 * Z  + -10.322718
  Z_new =  -0.348095 * X  +  -0.605307 * Y  +   0.715845 * Z  +  16.746098 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.928823  0.355538 -0.701925   [DEG:  167.8092   20.3708  -40.2173 ]
ZXZ: -0.603289  0.772963 -2.619704   [DEG:  -34.5659   44.2875 -150.0980 ]
 
# END of job
