
#######################################################
#                                                     #
#                        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        0.66     0.66
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.66     0.66
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.66     0.66
  LCS_AVERAGE:    100.00

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     86   86   86      4   16   71   83   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     86   86   86     12   41   60   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     86   86   86     26   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     86   86   86     48   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     86   86   86     34   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     86   86   86     56   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     86   86   86     31   72   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     86   86   86     56   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     86   86   86     48   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     86   86   86     52   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     86   86   86     51   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     86   86   86     51   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     86   86   86     50   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     86   86   86     50   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     86   86   86     51   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     86   86   86      8   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     86   86   86      8   41   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     86   86   86      8   63   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     86   86   86     23   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     86   86   86     49   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     86   86   86     30   78   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     86   86   86     48   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     86   86   86     58   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     86   86   86     48   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     86   86   86     28   79   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     86   86   86     20   72   84   84   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     58     79     84     84     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  67.44  91.86  97.67  97.67 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.44   0.54   0.54   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66
GDT RMS_ALL_AT   0.70   0.67   0.67   0.67   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66   0.66

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  Y    81_B      Y    81_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     2.559     0    0.581   0.663    12.361   62.143   34.021
LGA    P     6_B      P     6_B     2.413     0    0.071   0.342     4.228   66.786   57.755
LGA    N     7_B      N     7_B     0.816     0    0.041   0.189     1.794   92.976   88.393
LGA    E     8_B      E     8_B     0.731     0    0.080   0.843     6.659   90.595   63.228
LGA    I     9_B      I     9_B     0.904     0    0.137   0.125     1.484   85.952   88.214
LGA    V    10_B      V    10_B     0.517     0    0.026   0.080     0.833   92.857   93.197
LGA    I    11_B      I    11_B     0.365     0    0.038   0.072     0.429  100.000  100.000
LGA    T    12_B      T    12_B     0.734     0    0.109   0.160     1.204   90.476   86.599
LGA    K    13_B      K    13_B     0.801     0    0.142   0.834     4.500   85.952   72.593
LGA    S    14_B      S    14_B     1.484     0    0.156   0.167     1.999   79.286   77.143
LGA    K    15_B      K    15_B     0.305     0    0.103   0.649     1.522   95.238   87.619
LGA    R    16_B      R    16_B     0.154     0    0.062   0.187     1.449  100.000   93.203
LGA    I    17_B      I    17_B     0.466     0    0.025   0.152     0.883  100.000   96.429
LGA    E    18_B      E    18_B     0.443     0    0.048   0.119     0.456  100.000  100.000
LGA    D    19_B      D    19_B     0.443     0    0.018   0.118     0.929   97.619   94.048
LGA    Y    20_B      Y    20_B     0.327     0    0.029   0.109     0.907  100.000   94.444
LGA    V    21_B      V    21_B     0.284     0    0.020   0.049     0.339  100.000  100.000
LGA    L    22_B      L    22_B     0.101     0    0.045   1.357     3.068  100.000   83.988
LGA    D    23_B      D    23_B     0.042     0    0.020   0.167     0.492  100.000  100.000
LGA    T    24_B      T    24_B     0.090     0    0.006   0.041     0.301  100.000  100.000
LGA    I    25_B      I    25_B     0.311     0    0.036   0.133     0.854  100.000   97.619
LGA    I    26_B      I    26_B     0.449     0    0.038   0.048     0.855  100.000   95.238
LGA    L    27_B      L    27_B     0.216     0    0.023   0.121     0.494  100.000  100.000
LGA    F    28_B      F    28_B     0.278     0    0.033   0.090     0.626   97.619   99.134
LGA    N    29_B      N    29_B     0.394     0    0.072   1.404     4.044   97.619   79.464
LGA    Q    30_B      Q    30_B     0.173     0    0.072   0.104     0.494  100.000  100.000
LGA    G    31_B      G    31_B     0.721     0    0.016   0.016     0.721   90.476   90.476
LGA    Y    32_B      Y    32_B     0.504     0    0.110   0.111     0.936   92.857   96.825
LGA    E    33_B      E    33_B     0.595     0    0.038   0.778     2.845   97.619   85.132
LGA    E    34_B      E    34_B     0.201     0    0.022   0.163     1.132  100.000   93.757
LGA    V    35_B      V    35_B     0.253     0    0.026   0.037     0.282  100.000  100.000
LGA    E    36_B      E    36_B     0.359     0    0.069   0.652     2.352   97.619   88.095
LGA    I    37_B      I    37_B     0.563     0    0.025   0.057     1.006   95.238   91.726
LGA    R    38_B      R    38_B     0.545     0    0.066   0.261     1.774   90.476   84.805
LGA    G    39_B      G    39_B     0.520     0    0.037   0.037     0.520   95.238   95.238
LGA    S    40_B      S    40_B     0.534     0    0.067   0.658     1.834   97.619   92.302
LGA    G    41_B      G    41_B     0.100     0    0.076   0.076     0.304  100.000  100.000
LGA    Q    42_B      Q    42_B     0.103     0    0.020   0.837     2.399  100.000   92.011
LGA    E    43_B      E    43_B     0.271     0    0.032   0.879     3.060  100.000   85.873
LGA    I    44_B      I    44_B     0.223     0    0.023   0.066     0.481  100.000  100.000
LGA    N    45_B      N    45_B     0.221     0    0.017   0.903     3.568  100.000   83.155
LGA    K    46_B      K    46_B     0.373     0    0.014   0.073     0.665  100.000   95.767
LGA    A    47_B      A    47_B     0.283     0    0.022   0.020     0.306  100.000  100.000
LGA    I    48_B      I    48_B     0.307     0    0.037   0.650     1.935  100.000   95.417
LGA    E    49_B      E    49_B     0.354     0    0.043   0.619     2.022  100.000   88.836
LGA    V    50_B      V    50_B     0.288     0    0.018   0.032     0.425  100.000  100.000
LGA    Y    51_B      Y    51_B     0.114     0    0.019   0.101     0.514  100.000   99.206
LGA    N    52_B      N    52_B     0.292     0    0.041   0.072     0.557  100.000   98.810
LGA    Q    53_B      Q    53_B     0.276     0    0.022   0.113     0.404  100.000  100.000
LGA    L    54_B      L    54_B     0.097     0    0.018   0.031     0.272  100.000  100.000
LGA    V    55_B      V    55_B     0.259     0    0.023   0.041     0.639  100.000   98.639
LGA    D    56_B      D    56_B     0.464     0    0.066   0.118     0.704   97.619   94.048
LGA    R    57_B      R    57_B     0.428     0    0.021   1.459     7.647   95.238   62.554
LGA    L    58_B      L    58_B     0.545     0    0.031   0.044     0.754   92.857   94.048
LGA    K    59_B      K    59_B     0.650     0    0.047   1.120     4.493   92.857   75.979
LGA    E    60_B      E    60_B     0.662     0    0.093   0.828     2.950   90.476   83.016
LGA    G    61_B      G    61_B     0.592     0    0.043   0.043     0.618   95.238   95.238
LGA    V    62_B      V    62_B     0.276     0    0.049   0.045     0.435  100.000  100.000
LGA    R    63_B      R    63_B     0.118     0    0.038   0.233     1.821  100.000   92.424
LGA    L    64_B      L    64_B     0.122     0    0.015   0.082     0.256  100.000  100.000
LGA    E    65_B      E    65_B     0.261     0    0.034   0.257     0.661  100.000   98.942
LGA    K    66_B      K    66_B     0.102     0    0.051   0.779     3.101  100.000   88.307
LGA    V    67_B      V    67_B     0.060     0    0.007   0.036     0.291  100.000  100.000
LGA    D    68_B      D    68_B     0.354     0    0.045   0.144     0.626  100.000   98.810
LGA    I    69_B      I    69_B     0.248     0    0.048   0.071     0.377  100.000  100.000
LGA    G    70_B      G    70_B     0.804     0    0.033   0.033     0.804   90.476   90.476
LGA    S    71_B      S    71_B     0.442     0    0.071   0.651     2.734   95.238   89.683
LGA    E    72_B      E    72_B     0.837     0    0.036   0.657     2.721   90.476   82.751
LGA    V    73_B      V    73_B     1.299     0    0.078   0.089     2.171   75.119   75.374
LGA    K    74_B      K    74_B     1.400     0    0.077   0.916     3.342   81.429   71.429
LGA    D    75_B      D    75_B     0.924     0    0.096   0.131     1.465   85.952   83.690
LGA    R    76_B      R    76_B     0.684     0    0.043   1.084     4.167   90.476   77.273
LGA    R    77_B      R    77_B     0.497     0    0.021   0.822     4.036   97.619   78.918
LGA    R    78_B      R    78_B     0.238     0    0.091   1.467     9.112   95.238   63.117
LGA    I    79_B      I    79_B     1.179     0    0.153   1.128     2.733   83.690   74.286
LGA    S    80_B      S    80_B     0.731     0    0.030   0.082     1.145   95.238   92.143
LGA    Y    81_B      Y    81_B     0.390     0    0.017   0.167     1.412  100.000   90.635
LGA    I    82_B      I    82_B     0.268     0    0.037   0.059     0.444  100.000  100.000
LGA    L    83_B      L    83_B     0.289     0    0.013   1.372     3.207   97.619   83.810
LGA    L    84_B      L    84_B     0.553     0    0.102   0.151     1.093   90.595   90.536
LGA    R    85_B      R    85_B     0.403     0    0.055   1.390     8.017  100.000   65.671
LGA    L    86_B      L    86_B     0.111     0    0.031   0.048     0.404  100.000  100.000
LGA    K    87_B      K    87_B     0.343     0    0.018   0.400     2.644  100.000   90.159
LGA    R    88_B      R    88_B     0.599     0    0.027   1.158     5.948   92.857   70.433
LGA    I    89_B      I    89_B     0.710     0    0.640   0.732     3.587   76.429   79.286
LGA    Y    90_B      Y    90_B     1.311     0    0.114   1.379    10.845   55.357   34.762

# 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):     0.662          0.796                  1.778           94.772   88.444

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.66    97.384    99.021    11.283

LGA_LOCAL      RMSD:   0.662  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.662  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.662  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.830822 * X  +  -0.474193 * Y  +   0.291334 * Z  +   9.999591
  Y_new =  -0.544298 * X  +   0.801509 * Y  +  -0.247636 * Z  +  10.397829
  Z_new =  -0.116079 * X  +  -0.364314 * Y  +  -0.924014 * Z  +  -2.711761 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.561618  0.116341 -2.766033   [DEG: -146.7699    6.6659 -158.4820 ]
ZXZ:  0.866297  2.749244 -2.833138   [DEG:   49.6352  157.5201 -162.3269 ]
 
# END of job
