
#######################################################
#                                                     #
#                        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  101 (  816),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        1.85     1.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        1.85     1.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       8_A - 84_A        0.94     1.99
  LONGEST_CONTINUOUS_SEGMENT:    77       9_A - 85_A        0.89     2.03
  LCS_AVERAGE:     88.52

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      5   83   83      0    4    5    6    8    8    9   11   11   71   80   82   83   83   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      5   83   83      4    5    7   10   35   51   75   79   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A     77   83   83      4    5    7   23   43   74   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A     77   83   83      4    5   71   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     77   83   83      4   12   64   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     77   83   83     30   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     77   83   83     52   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     77   83   83     42   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     77   83   83     27   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     77   83   83     27   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     77   83   83     53   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     77   83   83     45   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     77   83   83     45   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     77   83   83     55   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     77   83   83     36   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     77   83   83     10   64   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     77   83   83     10   64   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     77   83   83     10   64   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     77   83   83     36   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     77   83   83     55   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     77   83   83     56   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     77   83   83     15   68   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     77   83   83     38   69   73   75   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     77   83   83      4   14   40   68   76   76   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     77   83   83      5   10   28   47   59   73   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A     76   83   83      5   11   31   47   59   73   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      3   83   83      3    3    3    9   57   73   78   80   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   83   83      3    8   18   29   53   74   78   79   81   82   82   82   83   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  96.17  (  88.52  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     69     73     75     76     76     78     80     81     82     82     82     83     83     83     83     83     83     83     83 
GDT PERCENT_AT  67.47  83.13  87.95  90.36  91.57  91.57  93.98  96.39  97.59  98.80  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.43   0.53   0.64   0.73   0.73   1.03   1.25   1.38   1.56   1.56   1.56   1.85   1.85   1.85   1.85   1.85   1.85   1.85   1.85
GDT RMS_ALL_AT   2.10   2.10   2.10   2.09   2.06   2.06   2.01   1.95   1.92   1.87   1.87   1.87   1.85   1.85   1.85   1.85   1.85   1.85   1.85   1.85

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  Y    79_B      Y    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    10.348     0    0.594   1.295    12.372    0.119    0.043
LGA    K     7_B      K     7_A     7.316     0    0.152   1.249    11.285   16.905    9.101
LGA    P     8_B      P     8_A     4.932     0    0.047   0.332     7.224   33.333   25.442
LGA    K     9_B      K     9_A     2.010     0    0.029   0.893     4.024   62.857   58.519
LGA    A    10_B      A    10_A     2.437     0    0.156   0.195     3.225   62.857   60.286
LGA    K    11_B      K    11_A     1.018     0    0.137   0.708     2.595   79.405   77.831
LGA    R    12_B      R    12_A     0.773     0    0.019   0.373     1.865   90.476   87.229
LGA    T    13_B      T    13_A     0.870     0    0.046   0.892     3.010   90.476   80.884
LGA    W    14_B      W    14_A     0.712     0    0.045   0.117     0.988   90.476   91.156
LGA    S    15_B      S    15_A     0.759     0    0.036   0.627     2.438   90.476   86.190
LGA    K    16_B      K    16_A     0.397     0    0.031   1.183     4.465   97.619   86.138
LGA    E    17_B      E    17_A     0.692     0    0.032   0.346     1.258   92.857   89.524
LGA    E    18_B      E    18_A     0.259     0    0.010   0.079     0.794  100.000   95.767
LGA    E    19_B      E    19_A     0.150     0    0.034   0.763     2.399  100.000   92.963
LGA    E    20_B      E    20_A     0.256     0    0.078   0.249     1.259  100.000   93.757
LGA    A    21_B      A    21_A     0.302     0    0.019   0.024     0.419  100.000  100.000
LGA    L    22_B      L    22_A     0.243     0    0.048   0.074     0.719  100.000   96.429
LGA    V    23_B      V    23_A     0.298     0    0.018   0.102     0.442  100.000  100.000
LGA    E    24_B      E    24_A     0.286     0    0.031   1.186     4.428  100.000   83.069
LGA    G    25_B      G    25_A     0.093     0    0.039   0.039     0.320  100.000  100.000
LGA    L    26_B      L    26_A     0.181     0    0.030   0.931     2.382  100.000   91.012
LGA    K    27_B      K    27_A     0.181     0    0.123   1.000     3.589   97.619   81.058
LGA    E    28_B      E    28_A     0.227     0    0.019   0.859     2.134  100.000   88.042
LGA    V    29_B      V    29_A     0.266     0    0.085   1.007     2.121  100.000   89.728
LGA    G    30_B      G    30_A     0.185     0    0.018   0.018     0.222  100.000  100.000
LGA    P    31_B      P    31_A     0.232     0    0.016   0.029     0.342  100.000  100.000
LGA    S    32_B      S    32_A     0.370     0    0.016   0.695     2.631  100.000   92.857
LGA    W    33_B      W    33_A     0.364     0    0.022   0.077     0.517  100.000   99.320
LGA    S    34_B      S    34_A     0.245     0    0.089   0.701     2.164  100.000   94.127
LGA    K    35_B      K    35_A     0.298     0    0.043   1.093     4.576  100.000   78.307
LGA    I    36_B      I    36_A     0.238     0    0.030   0.126     0.684  100.000   98.810
LGA    L    37_B      L    37_A     0.229     0    0.034   0.057     0.315  100.000  100.000
LGA    D    38_B      D    38_A     0.259     0    0.105   0.216     1.173   97.619   92.917
LGA    L    39_B      L    39_A     0.256     0    0.047   0.146     0.495  100.000  100.000
LGA    Y    40_B      Y    40_A     0.331     0    0.016   0.165     0.789  100.000   97.619
LGA    G    41_B      G    41_A     0.087     0    0.053   0.053     0.290  100.000  100.000
LGA    P    42_B      P    42_A     0.046     0    0.106   0.319     0.828   97.619   97.279
LGA    G    43_B      G    43_A     0.602     0    0.037   0.037     0.685   92.857   92.857
LGA    G    44_B      G    44_A     0.695     0    0.053   0.053     0.868   90.476   90.476
LGA    K    45_B      K    45_A     0.736     0    0.114   0.806     2.340   88.214   83.651
LGA    I    46_B      I    46_A     0.841     0    0.048   0.068     1.074   88.214   89.345
LGA    T    47_B      T    47_A     0.554     0    0.022   0.105     0.590   92.857   94.558
LGA    E    48_B      E    48_A     0.289     0    0.010   0.638     2.546  100.000   91.058
LGA    N    49_B      N    49_A     0.265     0    0.102   0.674     1.911   97.619   93.095
LGA    L    50_B      L    50_A     0.240     0    0.011   0.041     0.385  100.000  100.000
LGA    K    51_B      K    51_A     0.330     0    0.075   0.668     2.764  100.000   94.180
LGA    N    52_B      N    52_A     0.667     0    0.032   1.124     2.379   90.476   84.048
LGA    R    53_B      R    53_A     0.526     0    0.034   0.115     1.026   95.238   91.385
LGA    T    54_B      T    54_A     0.333     0    0.061   0.087     0.795   95.238   95.918
LGA    Q    55_B      Q    55_A     0.461     0    0.031   0.129     0.579  100.000   97.884
LGA    V    56_B      V    56_A     0.578     0    0.073   0.099     0.925   97.619   94.558
LGA    Q    57_B      Q    57_A     0.477     0    0.021   0.481     1.437   97.619   95.820
LGA    L    58_B      L    58_A     0.398     0    0.008   1.105     2.758  100.000   89.048
LGA    K    59_B      K    59_A     0.393     0    0.054   0.756     4.316  100.000   84.180
LGA    D    60_B      D    60_A     0.360     0    0.051   0.069     0.744  100.000   96.429
LGA    K    61_B      K    61_A     0.391     0    0.020   0.596     2.000  100.000   93.069
LGA    A    62_B      A    62_A     0.447     0    0.021   0.020     0.447  100.000  100.000
LGA    R    63_B      R    63_A     0.464     0    0.016   1.198     4.061   95.238   81.948
LGA    N    64_B      N    64_A     0.668     0    0.013   0.128     1.030   90.476   89.345
LGA    W    65_B      W    65_A     0.726     0    0.010   0.142     0.726   90.476   93.878
LGA    K    66_B      K    66_A     0.610     0    0.016   0.332     1.729   90.476   90.635
LGA    L    67_B      L    67_A     0.630     0    0.031   1.399     3.540   90.476   75.357
LGA    Q    68_B      Q    68_A     0.920     0    0.032   0.685     1.758   85.952   83.492
LGA    Y    69_B      Y    69_A     1.018     0    0.018   0.106     1.155   85.952   85.952
LGA    L    70_B      L    70_A     1.028     0    0.036   0.192     1.290   83.690   85.952
LGA    K    71_B      K    71_A     1.325     0    0.017   0.927     3.671   77.143   73.439
LGA    S    72_B      S    72_A     1.874     0    0.014   0.622     2.430   68.810   68.810
LGA    G    73_B      G    73_A     2.149     0    0.047   0.047     2.149   64.762   64.762
LGA    K    74_B      K    74_A     1.796     0    0.036   0.962     6.331   72.857   59.418
LGA    P    75_B      P    75_A     1.228     0    0.014   0.321     2.243   83.690   79.116
LGA    L    76_B      L    76_A     0.852     0    0.047   1.313     3.169   90.476   82.083
LGA    P    77_B      P    77_A     0.145     0    0.034   0.042     0.615   97.619   97.279
LGA    D    78_B      D    78_A     0.503     0    0.028   0.664     2.437   95.238   90.833
LGA    Y    79_B      Y    79_A     0.333     0    0.194   0.211     0.833   97.619   99.206
LGA    L    80_B      L    80_A     0.494     0    0.082   0.088     0.584   97.619   94.048
LGA    I    81_B      I    81_A     0.624     0    0.030   0.655     1.487   95.238   89.464
LGA    K    82_B      K    82_A     1.044     0    0.127   0.738     3.413   88.214   73.651
LGA    V    83_B      V    83_A     0.599     0    0.142   0.155     1.018   88.214   90.612
LGA    T    84_B      T    84_A     2.639     0    0.058   1.204     6.452   57.500   45.986
LGA    G    85_B      G    85_A     4.068     0    0.100   0.100     4.068   45.119   45.119
LGA    N    86_B      N    86_A     4.230     0    0.492   1.297     5.186   37.143   36.548
LGA    L    87_B      L    87_A     4.095     0    0.055   0.797     9.016   40.238   26.488
LGA    E    88_B      E    88_A     5.403     0    0.038   1.202    12.963   27.976   13.968

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     1.852          1.828                  2.438           87.534   82.944

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   83    4.0     80    1.25    92.470    95.228     5.905

LGA_LOCAL      RMSD:   1.255  Number of atoms:   80  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.951  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   1.852  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.114750 * X  +  -0.990761 * Y  +  -0.072284 * Z  +   6.665422
  Y_new =  -0.761819 * X  +  -0.134466 * Y  +   0.633680 * Z  + -20.281910
  Z_new =  -0.637545 * X  +  -0.017648 * Y  +  -0.770211 * Z  +  31.894016 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.421294  0.691308 -3.118684   [DEG:  -81.4341   39.6090 -178.6874 ]
ZXZ: -3.028014  2.449968 -1.598470   [DEG: -173.4924  140.3728  -91.5856 ]
 
# END of job
