
#######################################################
#                                                     #
#                        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  103 (  821),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  633),  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      23_A - 101_A       1.53     1.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      23_A - 101_A       1.53     1.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      24_A - 99_A        0.84     1.58
  LCS_AVERAGE:     94.86

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     G    23_A     G    23_A     75   79   79      3    4    4    5    6   65   72   74   77   77   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     G    24_A     G    24_A     76   79   79      3   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     S    25_A     S    25_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     M    26_A     M    26_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    27_A     K    27_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    28_A     I    28_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Y    29_A     Y    29_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    30_A     V    30_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    31_A     K    31_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    32_A     L    32_A     76   79   79      9   64   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Q    33_A     Q    33_A     76   79   79      6   33   61   72   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    34_A     D    34_A     76   79   79      5   11   54   71   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     G    35_A     G    35_A     76   79   79      5   47   70   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     T    36_A     T    36_A     76   79   79     52   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    37_A     V    37_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    38_A     I    38_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    39_A     E    39_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    40_A     L    40_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    41_A     E    41_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    42_A     V    42_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    43_A     E    43_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     P    44_A     P    44_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     S    45_A     S    45_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    46_A     D    46_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     T    47_A     T    47_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    48_A     I    48_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    49_A     L    49_A     76   79   79     52   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    51_A     V    51_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    52_A     K    52_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    53_A     E    53_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    54_A     K    54_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    55_A     I    55_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Y    56_A     Y    56_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    57_A     E    57_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    58_A     K    58_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     T    59_A     T    59_A     76   79   79     44   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     G    60_A     G    60_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    61_A     I    61_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     P    62_A     P    62_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     P    63_A     P    63_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    65_A     D    65_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Q    66_A     Q    66_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    67_A     I    67_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    68_A     L    68_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    69_A     I    69_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Y    70_A     Y    70_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     76   79   79     55   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     G    72_A     G    72_A     76   79   79     52   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    73_A     K    73_A     76   79   79     10   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    74_A     V    74_A     76   79   79     29   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    75_A     L    75_A     76   79   79     39   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    76_A     E    76_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    77_A     D    77_A     76   79   79      9   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     S    78_A     S    78_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    79_A     K    79_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     T    80_A     T    80_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    81_A     L    81_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     A    82_A     A    82_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    83_A     D    83_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Y    84_A     Y    84_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     N    85_A     N    85_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     I    86_A     I    86_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Q    87_A     Q    87_A     76   79   79      9   67   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     E    88_A     E    88_A     76   79   79     39   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     N    89_A     N    89_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     D    90_A     D    90_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    91_A     V    91_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    92_A     L    92_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     Y    93_A     Y    93_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    94_A     L    94_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     V    95_A     V    95_A     76   79   79     56   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     R    96_A     R    96_A     76   79   79      5   68   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     R    97_A     R    97_A     76   79   79      5   25   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     L    98_A     L    98_A     76   79   79      3   12   70   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     K    99_A     K    99_A     76   79   79      3    4   72   73   75   76   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     S   100_A     S   100_A     66   79   79      1    3    6   16   46   75   77   77   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_GDT     P   101_A     P   101_A      3   79   79      0    0    3    4    8   17   27   66   78   78   78   78   78   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  98.29  (  94.86  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     56     68     72     73     75     76     77     77     78     78     78     78     78     79     79     79     79     79     79     79 
GDT PERCENT_AT  70.89  86.08  91.14  92.41  94.94  96.20  97.47  97.47  98.73  98.73  98.73  98.73  98.73 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.43   0.55   0.62   0.76   0.84   1.09   1.09   1.39   1.39   1.39   1.26   1.26   1.53   1.53   1.53   1.53   1.53   1.53   1.53
GDT RMS_ALL_AT   1.63   1.60   1.59   1.59   1.58   1.58   1.55   1.55   1.54   1.54   1.54   1.55   1.55   1.53   1.53   1.53   1.53   1.53   1.53   1.53

# Checking swapping
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  Y    93_A      Y    93_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    23_A      G    23_A     5.896     0    0.450   0.450     6.432   24.286   24.286
LGA    G    24_A      G    24_A     0.625     0    0.347   0.347     1.829   88.452   88.452
LGA    S    25_A      S    25_A     0.627     0    0.060   0.722     3.152   92.857   85.317
LGA    M    26_A      M    26_A     0.835     0    0.039   0.749     1.775   90.476   86.071
LGA    K    27_A      K    27_A     0.648     0    0.035   0.622     2.937   90.476   79.365
LGA    I    28_A      I    28_A     0.441     0    0.034   0.095     0.570   97.619   97.619
LGA    Y    29_A      Y    29_A     0.395     0    0.017   0.166     0.985  100.000   96.032
LGA    V    30_A      V    30_A     0.203     0    0.056   0.064     0.267  100.000  100.000
LGA    K    31_A      K    31_A     0.308     0    0.043   0.381     1.685   95.238   88.624
LGA    L    32_A      L    32_A     1.370     0    0.036   0.968     2.981   79.405   76.310
LGA    Q    33_A      Q    33_A     2.884     0    0.027   1.242    10.406   53.810   32.698
LGA    D    34_A      D    34_A     3.331     0    0.167   1.140     4.696   53.571   49.464
LGA    G    35_A      G    35_A     2.253     0    0.107   0.107     2.535   66.905   66.905
LGA    T    36_A      T    36_A     0.664     0    0.066   0.081     1.607   88.214   86.667
LGA    V    37_A      V    37_A     0.198     0    0.023   0.994     2.464  100.000   89.932
LGA    I    38_A      I    38_A     0.202     0    0.047   1.377     4.083  100.000   82.381
LGA    E    39_A      E    39_A     0.326     0    0.027   0.806     3.177  100.000   81.852
LGA    L    40_A      L    40_A     0.320     0    0.057   0.100     0.654  100.000   98.810
LGA    E    41_A      E    41_A     0.442     0    0.062   0.530     1.831   95.238   90.688
LGA    V    42_A      V    42_A     0.436     0    0.040   1.154     2.561   92.857   84.762
LGA    E    43_A      E    43_A     0.276     0    0.034   1.336     5.363   97.619   77.513
LGA    P    44_A      P    44_A     0.505     0    0.047   0.103     0.984   97.619   94.558
LGA    S    45_A      S    45_A     0.383     0    0.070   0.146     1.005  100.000   95.317
LGA    D    46_A      D    46_A     0.251     0    0.060   0.125     0.762  100.000   96.429
LGA    T    47_A      T    47_A     0.470     0    0.047   1.002     2.050  100.000   89.728
LGA    I    48_A      I    48_A     0.513     0    0.046   0.145     1.108   90.476   88.214
LGA    L    49_A      L    49_A     0.818     0    0.027   1.444     3.408   90.476   77.917
LGA    E    50_A      E    50_A     0.644     0    0.030   1.033     4.435   95.238   78.254
LGA    V    51_A      V    51_A     0.337     0    0.034   0.119     0.422  100.000  100.000
LGA    K    52_A      K    52_A     0.383     0    0.033   0.120     1.535  100.000   91.746
LGA    E    53_A      E    53_A     0.531     0    0.037   0.877     4.799   95.238   69.683
LGA    K    54_A      K    54_A     0.440     0    0.047   0.648     1.972  100.000   92.751
LGA    I    55_A      I    55_A     0.194     0    0.035   0.072     0.501  100.000   98.810
LGA    Y    56_A      Y    56_A     0.369     0    0.027   0.073     0.864  100.000   95.238
LGA    E    57_A      E    57_A     0.668     0    0.064   0.898     1.694   90.476   86.508
LGA    K    58_A      K    58_A     0.499     0    0.168   0.831     3.593   97.619   80.053
LGA    T    59_A      T    59_A     0.826     0    0.066   0.063     0.954   90.476   91.837
LGA    G    60_A      G    60_A     0.875     0    0.086   0.086     0.966   90.476   90.476
LGA    I    61_A      I    61_A     0.445     0    0.040   0.090     0.493  100.000  100.000
LGA    P    62_A      P    62_A     0.465     0    0.035   0.351     0.959   97.619   95.918
LGA    P    63_A      P    63_A     0.499     0    0.052   0.067     0.646  100.000   95.918
LGA    E    64_A      E    64_A     0.501     0    0.084   0.317     1.041   92.857   91.587
LGA    D    65_A      D    65_A     0.166     0    0.204   0.227     1.392   95.357   92.976
LGA    Q    66_A      Q    66_A     0.301     0    0.058   0.173     0.518  100.000   98.942
LGA    I    67_A      I    67_A     0.373     0    0.018   0.603     2.107  100.000   92.024
LGA    L    68_A      L    68_A     0.198     0    0.047   0.146     0.647  100.000   96.429
LGA    I    69_A      I    69_A     0.215     0    0.032   0.087     0.428  100.000  100.000
LGA    Y    70_A      Y    70_A     0.125     0    0.023   0.145     0.717  100.000   97.619
LGA    K    71_A      K    71_A     0.230     0    0.060   0.771     3.462  100.000   83.810
LGA    G    72_A      G    72_A     0.598     0    0.074   0.074     0.948   92.857   92.857
LGA    K    73_A      K    73_A     1.016     0    0.017   0.942     3.607   88.214   80.265
LGA    V    74_A      V    74_A     0.711     0    0.049   1.187     3.331   90.476   81.020
LGA    L    75_A      L    75_A     0.658     0    0.099   0.140     0.921   90.476   90.476
LGA    E    76_A      E    76_A     0.457     0    0.085   0.608     2.492  100.000   86.032
LGA    D    77_A      D    77_A     0.717     0    0.656   0.663     3.559   78.810   84.643
LGA    S    78_A      S    78_A     0.726     0    0.056   0.195     1.029   92.976   92.143
LGA    K    79_A      K    79_A     0.542     0    0.052   0.250     1.954   95.238   89.630
LGA    T    80_A      T    80_A     0.295     0    0.041   1.053     2.397   97.619   89.728
LGA    L    81_A      L    81_A     0.482     0    0.056   0.113     0.649   95.238   96.429
LGA    A    82_A      A    82_A     0.631     0    0.033   0.038     0.720   90.476   90.476
LGA    D    83_A      D    83_A     0.551     0    0.040   1.206     4.743   90.476   77.679
LGA    Y    84_A      Y    84_A     0.544     0    0.132   0.224     0.660   90.476   96.032
LGA    N    85_A      N    85_A     0.570     0    0.050   0.213     1.666   92.857   88.333
LGA    I    86_A      I    86_A     0.460     0    0.027   0.093     0.712   95.238   96.429
LGA    Q    87_A      Q    87_A     1.297     0    0.034   1.020     2.115   83.690   79.788
LGA    E    88_A      E    88_A     0.967     0    0.072   0.653     2.545   88.214   80.952
LGA    N    89_A      N    89_A     0.479     0    0.086   0.176     0.748   95.238   96.429
LGA    D    90_A      D    90_A     0.387     0    0.061   0.201     0.963  100.000   96.429
LGA    V    91_A      V    91_A     0.144     0    0.022   1.113     2.596  100.000   88.844
LGA    L    92_A      L    92_A     0.146     0    0.038   1.096     2.540  100.000   89.048
LGA    Y    93_A      Y    93_A     0.020     0    0.035   0.186     1.083  100.000   94.484
LGA    L    94_A      L    94_A     0.232     0    0.044   0.092     0.470  100.000  100.000
LGA    V    95_A      V    95_A     0.241     0    0.117   0.131     0.513   97.619   97.279
LGA    R    96_A      R    96_A     0.866     0    0.063   1.092     8.377   83.810   50.043
LGA    R    97_A      R    97_A     1.560     0    0.073   0.989     3.081   75.000   70.130
LGA    L    98_A      L    98_A     2.467     0    0.296   1.367     6.867   66.786   51.369
LGA    K    99_A      K    99_A     1.546     0    0.467   1.760     9.736   58.214   34.444
LGA    S   100_A      S   100_A     5.838     0    0.614   0.809     7.110   23.810   19.762
LGA    P   101_A      P   101_A     7.980     0    0.610   0.561    10.115    4.405    3.673

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     633    633  100.00                79
SUMMARY(RMSD_GDC):     1.533          1.601                  2.086           89.736   83.688

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  103   79    4.0     77    1.09    93.987    96.613     6.487

LGA_LOCAL      RMSD:   1.087  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.548  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   1.533  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.903961 * X  +   0.385858 * Y  +   0.184303 * Z  +  25.287521
  Y_new =   0.218900 * X  +  -0.787809 * Y  +   0.575708 * Z  +  16.158270
  Z_new =   0.367337 * X  +  -0.480073 * Y  +  -0.796613 * Z  +  34.787994 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.237583 -0.376144 -2.599232   [DEG:   13.6125  -21.5515 -148.9250 ]
ZXZ:  2.831768  2.492468  2.488454   [DEG:  162.2484  142.8079  142.5779 ]
 
# END of job
