
#######################################################
#                                                     #
#                        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   91 (  713),  selected   91 , name one
# Molecule2: number of CA atoms  106 (  830),  selected   91 , 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:    91       4_B - 94_B        2.49     2.49
  LCS_AVERAGE:     85.85

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       4_B - 83_B        1.89     2.58
  LCS_AVERAGE:     67.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       4_B - 80_B        0.99     2.85
  LCS_AVERAGE:     62.31

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   91
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     S     4_B     S     4_B     77   80   91      7   23   43   63   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     D     5_B     D     5_B     77   80   91      7   25   58   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     V     6_B     V     6_B     77   80   91     21   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     P     7_B     P     7_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     R     8_B     R     8_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     D     9_B     D     9_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     L    10_B     L    10_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     E    11_B     E    11_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     V    12_B     V    12_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     V    13_B     V    13_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     A    14_B     A    14_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     A    15_B     A    15_B     77   80   91     54   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     T    16_B     T    16_B     77   80   91     48   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     P    17_B     P    17_B     77   80   91     48   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     T    18_B     T    18_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     S    19_B     S    19_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     L    20_B     L    20_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     L    21_B     L    21_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     I    22_B     I    22_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     S    23_B     S    23_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     W    24_B     W    24_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     D    25_B     D    25_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     A    26_B     A    26_B     77   80   91     50   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     P    27_B     P    27_B     77   80   91      7   66   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     P    28_B     P    28_B     77   80   91      4    5   43   76   80   84   84   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    29_B     Y    29_B     77   80   91      9   60   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    30_B     Y    30_B     77   80   91     38   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     V    31_B     V    31_B     77   80   91     49   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     R    32_B     R    32_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    33_B     Y    33_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    34_B     Y    34_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     R    35_B     R    35_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     I    36_B     I    36_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     T    37_B     T    37_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    38_B     Y    38_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     G    39_B     G    39_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     E    40_B     E    40_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     T    41_B     T    41_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     G    42_B     G    42_B     77   80   91     32   68   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     G    43_B     G    43_B     77   80   91     20   68   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     N    44_B     N    44_B     77   80   91      5   22   34   77   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     S    45_B     S    45_B     77   80   91      5   12   63   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     P    46_B     P    46_B     77   80   91      5   10   31   52   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     V    47_B     V    47_B     77   80   91     46   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Q    48_B     Q    48_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     E    49_B     E    49_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     F    50_B     F    50_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     T    51_B     T    51_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     V    52_B     V    52_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     P    53_B     P    53_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     G    54_B     G    54_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     S    55_B     S    55_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     K    56_B     K    56_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     S    57_B     S    57_B     77   80   91     46   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     T    58_B     T    58_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     A    59_B     A    59_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     T    60_B     T    60_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     I    61_B     I    61_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     S    62_B     S    62_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     G    63_B     G    63_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     L    64_B     L    64_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     K    65_B     K    65_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     P    66_B     P    66_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     G    67_B     G    67_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     V    68_B     V    68_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     D    69_B     D    69_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    70_B     Y    70_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     T    71_B     T    71_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     I    72_B     I    72_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     T    73_B     T    73_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     V    74_B     V    74_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    75_B     Y    75_B     77   80   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     A    76_B     A    76_B     77   80   91     35   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     E    77_B     E    77_B     77   80   91     35   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     H    78_B     H    78_B     77   80   91      6   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     P    79_B     P    79_B     77   80   91      8   63   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    80_B     Y    80_B     77   80   91      6   68   76   78   80   84   84   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    81_B     Y    81_B      4   80   91      3    4    4   47   68   79   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     D    82_B     D    82_B      4   80   91      4    4    6    9   11   13   23   74   86   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     P    83_B     P    83_B      4   80   91      4    4    4   10   12   14   24   36   44   70   86   88   90   90   90   91   91   91   91   91 
LCS_GDT     S    84_B     S    84_B      5    6   91      4    5    5    6    7    9   10   20   25   28   36   63   72   86   90   91   91   91   91   91 
LCS_GDT     S    85_B     S    85_B      5    6   91      4    5    5    9   13   22   32   42   69   83   87   89   90   90   90   91   91   91   91   91 
LCS_GDT     S    86_B     S    86_B      5    9   91      3    9   25   51   66   79   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    87_B     Y    87_B      5    9   91      3    5    5   52   73   79   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     Y    88_B     Y    88_B      7    9   91      3    7   73   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     F    89_B     F    89_B      7    9   91     38   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     S    90_B     S    90_B      7    9   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     S    91_B     S    91_B      7    9   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     K    92_B     K    92_B      7    9   91     55   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     P    93_B     P    93_B      7    9   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_GDT     I    94_B     I    94_B      7    9   91     56   70   76   78   80   84   85   87   87   88   88   89   90   90   90   91   91   91   91   91 
LCS_AVERAGE  LCS_A:  71.82  (  62.31   67.31   85.85 )

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     70     76     78     80     84     85     87     87     88     88     89     90     90     90     91     91     91     91     91 
GDT PERCENT_AT  52.83  66.04  71.70  73.58  75.47  79.25  80.19  82.08  82.08  83.02  83.02  83.96  84.91  84.91  84.91  85.85  85.85  85.85  85.85  85.85
GDT RMS_LOCAL    0.26   0.43   0.58   0.64   0.76   0.99   1.37   1.41   1.41   1.63   1.63   1.94   2.18   2.18   2.18   2.49   2.49   2.49   2.49   2.49
GDT RMS_ALL_AT   2.79   2.81   2.81   2.81   2.81   2.83   2.63   2.65   2.65   2.60   2.60   2.54   2.51   2.51   2.51   2.49   2.49   2.49   2.49   2.49

# Checking swapping
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  F    50_B      F    50_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  E    77_B      E    77_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  D    82_B      D    82_B
#   possible swapping detected:  Y    88_B      Y    88_B
#   possible swapping detected:  F    89_B      F    89_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     4_B      S     4_B     3.394     0    0.051   0.653     4.423   48.333   45.635
LGA    D     5_B      D     5_B     2.768     0    0.432   1.266     4.006   52.143   67.321
LGA    V     6_B      V     6_B     1.092     0    0.029   1.055     3.235   85.952   77.143
LGA    P     7_B      P     7_B     0.427     0    0.068   0.109     0.957   97.619   95.918
LGA    R     8_B      R     8_B     0.125     0    0.062   1.382     7.610  100.000   70.606
LGA    D     9_B      D     9_B     0.567     0    0.026   0.925     3.963   95.238   76.905
LGA    L    10_B      L    10_B     0.354     0    0.062   0.062     0.552   97.619   98.810
LGA    E    11_B      E    11_B     0.502     0    0.022   0.164     1.182   97.619   92.646
LGA    V    12_B      V    12_B     0.532     0    0.024   0.056     0.799   90.476   90.476
LGA    V    13_B      V    13_B     0.818     0    0.145   1.135     3.231   95.238   84.830
LGA    A    14_B      A    14_B     0.513     0    0.049   0.076     0.738   92.857   92.381
LGA    A    15_B      A    15_B     0.237     0    0.030   0.041     0.394  100.000  100.000
LGA    T    16_B      T    16_B     0.450     0    0.068   0.134     0.564   97.619   97.279
LGA    P    17_B      P    17_B     0.464     0    0.055   0.065     0.680   97.619   94.558
LGA    T    18_B      T    18_B     0.197     0    0.020   0.079     0.623  100.000   98.639
LGA    S    19_B      S    19_B     0.110     0    0.017   0.590     1.891  100.000   95.476
LGA    L    20_B      L    20_B     0.341     0    0.007   0.059     0.518  100.000   98.810
LGA    L    21_B      L    21_B     0.458     0    0.021   1.108     2.986   95.238   86.667
LGA    I    22_B      I    22_B     0.537     0    0.044   0.089     0.626   90.476   94.048
LGA    S    23_B      S    23_B     0.319     0    0.060   0.100     0.412  100.000  100.000
LGA    W    24_B      W    24_B     0.408     0    0.037   0.088     0.711  100.000   95.238
LGA    D    25_B      D    25_B     0.547     0    0.023   0.083     0.684   90.476   91.667
LGA    A    26_B      A    26_B     0.747     0    0.025   0.041     1.262   85.952   86.857
LGA    P    27_B      P    27_B     1.669     0    0.041   0.076     2.067   72.976   75.374
LGA    P    28_B      P    28_B     3.224     0    0.488   0.447     4.889   47.143   45.714
LGA    Y    29_B      Y    29_B     2.047     0    0.152   1.366     9.367   62.857   41.230
LGA    Y    30_B      Y    30_B     1.607     0    0.168   1.288     9.197   75.000   45.357
LGA    V    31_B      V    31_B     1.038     0    0.064   0.108     1.202   85.952   87.891
LGA    R    32_B      R    32_B     0.911     0    0.032   1.894     8.609   90.476   59.827
LGA    Y    33_B      Y    33_B     0.811     0    0.089   1.349     8.044   90.476   59.841
LGA    Y    34_B      Y    34_B     0.464     0    0.036   0.115     0.599   95.238   97.619
LGA    R    35_B      R    35_B     0.378     0    0.023   1.034     3.181  100.000   89.524
LGA    I    36_B      I    36_B     0.338     0    0.032   0.159     0.761   97.619   97.619
LGA    T    37_B      T    37_B     0.357     0    0.030   0.095     0.589  100.000   98.639
LGA    Y    38_B      Y    38_B     0.444     0    0.008   0.058     0.446  100.000  100.000
LGA    G    39_B      G    39_B     0.456     0    0.029   0.029     0.523   97.619   97.619
LGA    E    40_B      E    40_B     0.374     0    0.076   0.544     2.363   97.619   85.979
LGA    T    41_B      T    41_B     0.567     0    0.118   0.163     0.854   95.238   93.197
LGA    G    42_B      G    42_B     1.183     0    0.195   0.195     2.319   79.524   79.524
LGA    G    43_B      G    43_B     1.199     0    0.060   0.060     1.472   81.429   81.429
LGA    N    44_B      N    44_B     2.668     3    0.034   0.038     3.509   60.952   35.893
LGA    S    45_B      S    45_B     2.250     0    0.042   0.213     2.872   70.952   67.619
LGA    P    46_B      P    46_B     3.056     0    0.124   0.329     5.496   63.214   50.476
LGA    V    47_B      V    47_B     0.770     0    0.055   1.192     2.694   83.810   74.626
LGA    Q    48_B      Q    48_B     0.261     0    0.021   1.075     3.358  100.000   90.265
LGA    E    49_B      E    49_B     0.369     0    0.024   0.598     1.193  100.000   93.704
LGA    F    50_B      F    50_B     0.254     0    0.028   0.073     0.345  100.000  100.000
LGA    T    51_B      T    51_B     0.290     0    0.021   0.097     0.581   97.619   95.918
LGA    V    52_B      V    52_B     0.447     0    0.049   1.314     3.176  100.000   86.463
LGA    P    53_B      P    53_B     0.404     0    0.024   0.039     0.705  100.000   95.918
LGA    G    54_B      G    54_B     0.335     0    0.043   0.043     0.666   95.238   95.238
LGA    S    55_B      S    55_B     0.657     0    0.020   0.042     0.690   90.476   90.476
LGA    K    56_B      K    56_B     0.497     0    0.111   0.989     3.460   92.976   83.122
LGA    S    57_B      S    57_B     0.806     0    0.071   0.172     1.856   90.476   86.032
LGA    T    58_B      T    58_B     0.451     0    0.020   0.066     0.558   97.619   97.279
LGA    A    59_B      A    59_B     0.384     0    0.017   0.021     0.424  100.000  100.000
LGA    T    60_B      T    60_B     0.270     0    0.032   0.079     0.466  100.000  100.000
LGA    I    61_B      I    61_B     0.133     0    0.051   0.105     0.466  100.000  100.000
LGA    S    62_B      S    62_B     0.397     0    0.048   0.066     0.826  100.000   96.825
LGA    G    63_B      G    63_B     0.266     0    0.069   0.069     0.357  100.000  100.000
LGA    L    64_B      L    64_B     0.315     0    0.031   0.048     0.535  100.000   98.810
LGA    K    65_B      K    65_B     0.492     2    0.014   0.068     0.719   95.238   72.487
LGA    P    66_B      P    66_B     0.651     0    0.042   0.289     0.938   90.476   90.476
LGA    G    67_B      G    67_B     0.903     0    0.045   0.045     0.903   90.476   90.476
LGA    V    68_B      V    68_B     0.785     0    0.009   0.028     0.837   90.476   90.476
LGA    D    69_B      D    69_B     0.694     0    0.034   0.483     1.563   90.476   88.274
LGA    Y    70_B      Y    70_B     0.432     0    0.019   0.100     0.614  100.000   98.413
LGA    T    71_B      T    71_B     0.459     0    0.030   0.053     0.596  100.000   98.639
LGA    I    72_B      I    72_B     0.481     0    0.014   0.289     0.933   97.619   96.429
LGA    T    73_B      T    73_B     0.312     0    0.013   0.060     0.523  100.000   98.639
LGA    V    74_B      V    74_B     0.265     0    0.018   0.062     0.319  100.000  100.000
LGA    Y    75_B      Y    75_B     0.387     0    0.027   0.086     1.168   95.238   93.690
LGA    A    76_B      A    76_B     0.945     0    0.096   0.126     1.480   85.952   85.048
LGA    E    77_B      E    77_B     1.191     0    0.087   0.733     3.957   85.952   71.481
LGA    H    78_B      H    78_B     1.136     0    0.076   0.258     1.731   88.214   79.000
LGA    P    79_B      P    79_B     1.198     0    0.185   0.352     3.436   71.429   70.884
LGA    Y    80_B      Y    80_B     1.668     0    0.045   1.165    12.046   69.524   33.571
LGA    Y    81_B      Y    81_B     5.334     0    0.372   1.541    10.481   21.905   12.659
LGA    D    82_B      D    82_B     7.988     0    0.633   0.917    10.328    7.976    5.595
LGA    P    83_B      P    83_B    10.558     0    0.027   0.263    12.924    0.357    0.612
LGA    S    84_B      S    84_B    13.316     0    0.361   0.366    14.933    0.000    0.000
LGA    S    85_B      S    85_B    10.680     0    0.687   0.781    11.068    0.357    0.317
LGA    S    86_B      S    86_B     5.633     0    0.176   0.583     7.175   27.976   26.587
LGA    Y    87_B      Y    87_B     4.434     0    0.149   0.371    12.050   41.905   16.032
LGA    Y    88_B      Y    88_B     1.602     0    0.059   1.264     5.859   72.976   62.024
LGA    F    89_B      F    89_B     1.421     0    0.243   1.220     3.301   83.690   74.935
LGA    S    90_B      S    90_B     0.873     0    0.057   0.614     1.664   92.976   87.698
LGA    S    91_B      S    91_B     0.274     0    0.076   0.082     0.591   97.619   98.413
LGA    K    92_B      K    92_B     0.608     0    0.065   0.113     2.810   92.857   81.111
LGA    P    93_B      P    93_B     0.568     0    0.031   0.069     1.099   90.476   89.184
LGA    I    94_B      I    94_B     0.477     0    0.099   0.129     0.778   97.619   97.619

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       91     364    364  100.00     708    708  100.00               106
SUMMARY(RMSD_GDC):     2.492          2.504                  3.118           72.667   68.092

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   91  106    4.0     87    1.41    76.887    75.567     5.744

LGA_LOCAL      RMSD:   1.415  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.654  Number of assigned atoms:   91 
Std_ASGN_ATOMS RMSD:   2.492  Standard rmsd on all 91 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.007662 * X  +  -0.506742 * Y  +   0.862064 * Z  +  25.639942
  Y_new =   0.842620 * X  +   0.467481 * Y  +   0.267307 * Z  +  26.528261
  Z_new =  -0.538454 * X  +   0.724344 * Y  +   0.430573 * Z  +  48.153889 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.561703  0.568601  1.034482   [DEG:   89.4790   32.5785   59.2714 ]
ZXZ:  1.871473  1.125669 -0.639243   [DEG:  107.2275   64.4961  -36.6259 ]
 
# END of job
