
#######################################################
#                                                     #
#                        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   90 (  747),  selected   86 , name one
# Molecule2: number of CA atoms   86 (  717),  selected   86 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.53     1.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.53     1.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    52       7_B - 58_B        0.82     1.61
  LCS_AVERAGE:     49.92

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   86
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     K     5_B     K     5_B      3   86   86      0    3    3    3   34   55   75   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B      3   86   86      0    3    4    5   28   36   50   74   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     52   86   86      6   32   59   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     52   86   86     20   66   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     52   86   86     24   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     52   86   86     22   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     52   86   86     25   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     52   86   86     37   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     52   86   86     39   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     52   86   86     34   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     52   86   86     34   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     52   86   86     25   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     52   86   86     24   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     52   86   86      8   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     52   86   86     24   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     52   86   86     28   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     52   86   86     32   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     52   86   86     39   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     52   86   86     25   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     52   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     52   86   86     39   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     52   86   86     25   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     52   86   86     18   62   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     52   86   86     20   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     52   86   86      3   14   31   72   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     21   86   86      3    6   11   20   37   60   78   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     31   86   86      3    4   31   72   81   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     31   86   86     21   46   75   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     31   86   86     32   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     31   86   86     32   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     31   86   86     17   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     31   86   86      7   48   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     31   86   86      4   29   56   77   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     31   86   86      4   29   58   77   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     31   86   86     12   48   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     31   86   86     17   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     31   86   86     22   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     31   86   86     22   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     31   86   86     37   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     31   86   86     34   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     31   86   86     31   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     31   86   86     31   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     31   86   86     23   68   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     31   86   86     41   69   77   79   82   83   83   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  83.31  (  49.92  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     41     69     77     79     82     83     83     84     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  47.67  80.23  89.53  91.86  95.35  96.51  96.51  97.67  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.55   0.69   0.78   0.94   1.00   1.00   1.16   1.33   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53
GDT RMS_ALL_AT   1.66   1.64   1.60   1.59   1.56   1.56   1.56   1.56   1.54   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    33_B      E    33_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    90_B      Y    90_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     6.204     0    0.603   1.239     6.757   16.190   27.090
LGA    P     6_B      P     6_B     7.620     0    0.647   0.556    10.554   13.810    8.639
LGA    N     7_B      N     7_B     2.469     0    0.576   0.991     4.138   65.595   66.905
LGA    E     8_B      E     8_B     1.196     0    0.180   0.853     6.630   85.952   56.984
LGA    I     9_B      I     9_B     0.453     0    0.076   0.585     2.391   90.595   88.512
LGA    V    10_B      V    10_B     0.606     0    0.061   1.087     2.946   90.595   83.265
LGA    I    11_B      I    11_B     0.935     0    0.031   1.245     3.660   85.952   75.774
LGA    T    12_B      T    12_B     1.189     0    0.055   0.143     1.677   81.429   80.204
LGA    K    13_B      K    13_B     0.708     0    0.079   0.559     2.217   90.476   87.619
LGA    S    14_B      S    14_B     0.475     0    0.127   0.141     1.582   95.238   89.206
LGA    K    15_B      K    15_B     0.613     0    0.081   0.544     2.640   90.595   82.011
LGA    R    16_B      R    16_B     0.850     0    0.080   1.149     7.342   90.476   63.506
LGA    I    17_B      I    17_B     0.602     0    0.026   0.163     1.095   90.476   89.345
LGA    E    18_B      E    18_B     0.777     0    0.068   1.027     4.747   90.476   70.794
LGA    D    19_B      D    19_B     0.978     0    0.041   0.101     1.290   90.476   87.083
LGA    Y    20_B      Y    20_B     0.671     0    0.027   0.259     1.615   90.476   87.540
LGA    V    21_B      V    21_B     0.262     0    0.055   0.129     0.665  100.000   98.639
LGA    L    22_B      L    22_B     0.699     0    0.034   0.212     1.861   92.857   87.202
LGA    D    23_B      D    23_B     0.797     0    0.040   0.141     1.504   90.476   86.012
LGA    T    24_B      T    24_B     0.498     0    0.056   0.967     2.325   92.857   85.850
LGA    I    25_B      I    25_B     0.716     0    0.057   0.589     1.740   90.476   88.274
LGA    I    26_B      I    26_B     0.581     0    0.034   0.931     2.644   90.476   82.083
LGA    L    27_B      L    27_B     0.591     0    0.035   0.928     4.010   90.476   78.393
LGA    F    28_B      F    28_B     0.849     0    0.033   0.394     1.057   88.214   88.831
LGA    N    29_B      N    29_B     0.998     0    0.039   0.917     4.049   88.214   74.345
LGA    Q    30_B      Q    30_B     0.814     0    0.100   1.071     3.647   85.952   74.868
LGA    G    31_B      G    31_B     1.410     0    0.069   0.069     1.410   81.429   81.429
LGA    Y    32_B      Y    32_B     0.856     0    0.202   0.272     1.971   88.214   83.810
LGA    E    33_B      E    33_B     0.350     0    0.029   0.666     1.969  100.000   86.878
LGA    E    34_B      E    34_B     0.379     0    0.048   0.632     2.964   95.238   78.836
LGA    V    35_B      V    35_B     0.671     0    0.058   0.975     3.126   90.476   81.020
LGA    E    36_B      E    36_B     0.780     0    0.044   0.567     2.645   90.476   79.206
LGA    I    37_B      I    37_B     0.565     0    0.072   1.170     3.449   95.238   79.524
LGA    R    38_B      R    38_B     0.502     0    0.034   0.988     6.354   92.857   68.961
LGA    G    39_B      G    39_B     0.499     0    0.036   0.036     0.552   95.238   95.238
LGA    S    40_B      S    40_B     0.699     0    0.048   0.128     1.340   90.476   87.460
LGA    G    41_B      G    41_B     0.555     0    0.034   0.034     0.604   95.238   95.238
LGA    Q    42_B      Q    42_B     0.663     0    0.045   1.069     3.785   90.476   76.561
LGA    E    43_B      E    43_B     0.290     0    0.082   0.238     0.714   97.619   96.825
LGA    I    44_B      I    44_B     0.180     0    0.027   1.008     2.432  100.000   88.810
LGA    N    45_B      N    45_B     0.432     0    0.044   1.188     3.660  100.000   80.238
LGA    K    46_B      K    46_B     0.316     0    0.026   1.122     5.251  100.000   80.423
LGA    A    47_B      A    47_B     0.184     0    0.041   0.062     0.296  100.000  100.000
LGA    I    48_B      I    48_B     0.226     0    0.055   0.170     1.234  100.000   96.488
LGA    E    49_B      E    49_B     0.470     0    0.039   1.030     4.286   95.238   78.254
LGA    V    50_B      V    50_B     0.325     0    0.040   0.096     0.418  100.000  100.000
LGA    Y    51_B      Y    51_B     0.415     0    0.026   0.179     1.216   95.238   90.556
LGA    N    52_B      N    52_B     0.850     0    0.033   0.115     1.064   90.476   89.345
LGA    Q    53_B      Q    53_B     0.503     0    0.051   1.180     4.100   95.238   78.360
LGA    L    54_B      L    54_B     0.268     0    0.029   1.021     3.549   97.619   87.143
LGA    V    55_B      V    55_B     0.911     0    0.048   0.931     2.356   85.952   81.633
LGA    D    56_B      D    56_B     1.293     0    0.087   0.520     2.955   81.548   73.333
LGA    R    57_B      R    57_B     0.824     0    0.047   1.490     8.628   81.667   51.732
LGA    L    58_B      L    58_B     2.926     0    0.242   1.402     4.637   51.190   55.357
LGA    K    59_B      K    59_B     5.360     0    0.306   1.147    15.759   42.500   20.159
LGA    E    60_B      E    60_B     3.083     0    0.686   0.491     5.217   54.048   45.556
LGA    G    61_B      G    61_B     2.109     0    0.088   0.088     2.962   69.048   69.048
LGA    V    62_B      V    62_B     0.317     0    0.057   0.962     2.212   97.619   88.571
LGA    R    63_B      R    63_B     0.462     0    0.057   1.338     3.767  100.000   75.325
LGA    L    64_B      L    64_B     0.407     0    0.028   0.145     0.886   95.238   96.429
LGA    E    65_B      E    65_B     0.997     0    0.089   1.134     4.325   83.810   69.524
LGA    K    66_B      K    66_B     0.906     0    0.074   1.317     6.125   90.476   71.270
LGA    V    67_B      V    67_B     0.519     0    0.049   1.122     2.857   92.857   83.401
LGA    D    68_B      D    68_B     0.644     0    0.023   0.545     1.597   92.857   88.333
LGA    I    69_B      I    69_B     0.573     0    0.045   1.172     3.508   90.476   75.357
LGA    G    70_B      G    70_B     0.546     0    0.066   0.066     0.754   90.476   90.476
LGA    S    71_B      S    71_B     0.418     0    0.037   0.601     2.646   97.619   91.270
LGA    E    72_B      E    72_B     0.850     0    0.042   0.682     2.893   90.476   75.503
LGA    V    73_B      V    73_B     1.348     0    0.023   1.122     3.520   73.214   68.844
LGA    K    74_B      K    74_B     2.455     0    0.092   0.656     2.864   66.786   66.667
LGA    D    75_B      D    75_B     2.596     0    0.044   1.014     3.787   60.952   60.238
LGA    R    76_B      R    76_B     1.586     0    0.092   1.188     5.527   79.405   57.879
LGA    R    77_B      R    77_B     0.955     0    0.044   1.048     3.043   88.214   74.199
LGA    R    78_B      R    78_B     0.608     0    0.031   1.378    10.812   85.952   49.134
LGA    I    79_B      I    79_B     1.259     0    0.090   1.089     2.789   83.690   74.286
LGA    S    80_B      S    80_B     0.793     0    0.042   0.699     2.033   90.476   86.190
LGA    Y    81_B      Y    81_B     0.497     0    0.041   0.116     0.714   95.238   92.857
LGA    I    82_B      I    82_B     0.500     0    0.033   0.688     1.451   95.238   91.786
LGA    L    83_B      L    83_B     0.584     0    0.046   1.379     3.642   90.476   76.310
LGA    L    84_B      L    84_B     0.703     0    0.057   0.177     1.591   88.214   84.881
LGA    R    85_B      R    85_B     0.775     0    0.030   0.805     5.635   90.476   69.481
LGA    L    86_B      L    86_B     0.474     0    0.016   0.074     0.755   92.857   92.857
LGA    K    87_B      K    87_B     0.695     0    0.050   0.668     3.450   90.476   77.778
LGA    R    88_B      R    88_B     0.815     0    0.054   1.293     7.388   90.476   63.420
LGA    I    89_B      I    89_B     1.054     0    0.186   1.013     3.400   85.952   75.893
LGA    Y    90_B      Y    90_B     0.934     0    0.419   0.494    12.462   73.929   34.643

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       86     344    344  100.00     717    717  100.00                86
SUMMARY(RMSD_GDC):     1.533          1.496                  2.612           86.692   77.316

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     84    1.16    92.442    96.190     6.680

LGA_LOCAL      RMSD:   1.158  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.559  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.533  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.029608 * X  +   0.324860 * Y  +  -0.945299 * Z  +  25.402187
  Y_new =  -0.242713 * X  +   0.915073 * Y  +   0.322075 * Z  + -52.949249
  Z_new =   0.969646 * X  +   0.238972 * Y  +   0.051755 * Z  +  -5.488539 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.692182 -1.323779  1.357518   [DEG:  -96.9549  -75.8470   77.7800 ]
ZXZ: -1.899173  1.519018  1.329159   [DEG: -108.8146   87.0333   76.1552 ]
 
# END of job
