
#######################################################
#                                                     #
#                        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   37   76   86   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      4   23   80   86   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   77   84   86   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     32   77   84   86   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     32   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     50   77   84   86   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     27   75   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     38   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     54   77   84   86   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     50   77   84   86   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     50   77   84   86   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   77   84   86   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     44   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     25   77   84   86   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     57   77   84   86   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      9   77   84   86   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      9   14   84   86   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      9   14   84   86   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      9   77   84   86   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      7   77   84   86   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     57   77   84   86   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     57   77   84   86   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     25   75   84   86   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     29   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     57   77   84   86   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     38   77   84   86   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     57   77   84   86   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     13   75   84   86   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     57     77     84     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  66.28  89.53  97.67 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.45   0.58   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   0.66
GDT RMS_ALL_AT   0.68   0.68   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   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:  E    49_B      E    49_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  E    72_B      E    72_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     2.152     0    0.595   0.671    11.780   67.857   37.407
LGA    P     6_B      P     6_B     1.902     0    0.014   0.319     3.541   75.000   65.374
LGA    N     7_B      N     7_B     0.729     0    0.045   0.193     1.751   92.976   87.262
LGA    E     8_B      E     8_B     0.812     0    0.071   0.838     6.398   88.333   64.074
LGA    I     9_B      I     9_B     1.046     0    0.132   0.132     1.400   83.690   84.821
LGA    V    10_B      V    10_B     0.583     0    0.045   0.069     0.879   90.476   90.476
LGA    I    11_B      I    11_B     0.353     0    0.054   0.124     0.585   97.619   98.810
LGA    T    12_B      T    12_B     0.671     0    0.102   0.142     1.174   90.476   86.599
LGA    K    13_B      K    13_B     0.658     0    0.123   0.874     4.324   85.952   76.931
LGA    S    14_B      S    14_B     1.522     0    0.094   0.098     1.910   77.143   75.714
LGA    K    15_B      K    15_B     0.410     0    0.122   0.667     1.562   95.238   87.619
LGA    R    16_B      R    16_B     0.242     0    0.030   0.142     1.282  100.000   93.203
LGA    I    17_B      I    17_B     0.330     0    0.021   0.093     0.474  100.000  100.000
LGA    E    18_B      E    18_B     0.356     0    0.030   0.128     0.394  100.000  100.000
LGA    D    19_B      D    19_B     0.410     0    0.032   0.122     0.839  100.000   95.238
LGA    Y    20_B      Y    20_B     0.256     0    0.022   0.115     0.411  100.000  100.000
LGA    V    21_B      V    21_B     0.199     0    0.010   0.030     0.279  100.000  100.000
LGA    L    22_B      L    22_B     0.179     0    0.051   1.355     2.957  100.000   85.893
LGA    D    23_B      D    23_B     0.135     0    0.015   0.176     0.354  100.000  100.000
LGA    T    24_B      T    24_B     0.224     0    0.009   0.067     0.481  100.000  100.000
LGA    I    25_B      I    25_B     0.108     0    0.028   0.140     0.734  100.000   98.810
LGA    I    26_B      I    26_B     0.307     0    0.034   0.042     0.661  100.000   97.619
LGA    L    27_B      L    27_B     0.229     0    0.024   0.104     0.506  100.000   98.810
LGA    F    28_B      F    28_B     0.143     0    0.030   0.172     0.770  100.000   96.537
LGA    N    29_B      N    29_B     0.303     0    0.044   1.388     4.179   97.619   79.464
LGA    Q    30_B      Q    30_B     0.202     0    0.047   0.044     0.440  100.000  100.000
LGA    G    31_B      G    31_B     0.748     0    0.019   0.019     0.752   90.476   90.476
LGA    Y    32_B      Y    32_B     0.562     0    0.139   0.178     1.159   90.595   91.310
LGA    E    33_B      E    33_B     0.742     0    0.013   0.719     2.709   90.476   80.053
LGA    E    34_B      E    34_B     0.223     0    0.016   0.102     1.231  100.000   92.751
LGA    V    35_B      V    35_B     0.275     0    0.037   0.053     0.300  100.000  100.000
LGA    E    36_B      E    36_B     0.368     0    0.070   0.558     2.269  100.000   87.989
LGA    I    37_B      I    37_B     0.572     0    0.009   0.051     0.803   95.238   92.857
LGA    R    38_B      R    38_B     0.526     0    0.086   0.201     1.828   92.857   85.628
LGA    G    39_B      G    39_B     0.565     0    0.052   0.052     0.565   95.238   95.238
LGA    S    40_B      S    40_B     0.623     0    0.093   0.652     1.884   97.619   90.794
LGA    G    41_B      G    41_B     0.233     0    0.053   0.053     0.417  100.000  100.000
LGA    Q    42_B      Q    42_B     0.104     0    0.013   0.729     2.301  100.000   92.963
LGA    E    43_B      E    43_B     0.193     0    0.023   0.846     2.834  100.000   86.402
LGA    I    44_B      I    44_B     0.166     0    0.039   0.083     0.433  100.000  100.000
LGA    N    45_B      N    45_B     0.246     0    0.015   0.867     3.379  100.000   84.940
LGA    K    46_B      K    46_B     0.265     0    0.013   0.059     0.596  100.000   97.884
LGA    A    47_B      A    47_B     0.160     0    0.017   0.018     0.200  100.000  100.000
LGA    I    48_B      I    48_B     0.193     0    0.044   0.067     0.504  100.000   98.810
LGA    E    49_B      E    49_B     0.314     0    0.033   0.438     1.356  100.000   94.762
LGA    V    50_B      V    50_B     0.199     0    0.015   0.043     0.317  100.000  100.000
LGA    Y    51_B      Y    51_B     0.024     0    0.030   0.092     0.317  100.000  100.000
LGA    N    52_B      N    52_B     0.347     0    0.075   0.097     0.713  100.000   96.429
LGA    Q    53_B      Q    53_B     0.274     0    0.023   0.127     0.440  100.000  100.000
LGA    L    54_B      L    54_B     0.226     0    0.011   1.120     2.569  100.000   87.917
LGA    V    55_B      V    55_B     0.323     0    0.031   0.049     0.616  100.000   98.639
LGA    D    56_B      D    56_B     0.343     0    0.018   0.755     2.839  100.000   86.845
LGA    R    57_B      R    57_B     0.477     0    0.015   1.519     9.467   95.238   55.368
LGA    L    58_B      L    58_B     0.571     0    0.012   0.043     0.709   90.476   94.048
LGA    K    59_B      K    59_B     0.710     0    0.023   1.092     4.370   90.476   74.921
LGA    E    60_B      E    60_B     0.683     0    0.070   0.828     2.964   90.476   83.016
LGA    G    61_B      G    61_B     0.637     0    0.066   0.066     0.660   95.238   95.238
LGA    V    62_B      V    62_B     0.305     0    0.048   0.069     0.570  100.000   98.639
LGA    R    63_B      R    63_B     0.225     0    0.035   0.932     4.998  100.000   79.394
LGA    L    64_B      L    64_B     0.140     0    0.047   0.122     0.467  100.000  100.000
LGA    E    65_B      E    65_B     0.178     0    0.052   1.240     4.824  100.000   79.788
LGA    K    66_B      K    66_B     0.085     0    0.040   0.763     3.578  100.000   86.772
LGA    V    67_B      V    67_B     0.161     0    0.029   0.031     0.270  100.000  100.000
LGA    D    68_B      D    68_B     0.367     0    0.051   0.126     0.546   97.619   97.619
LGA    I    69_B      I    69_B     0.358     0    0.063   0.059     0.578   97.619   97.619
LGA    G    70_B      G    70_B     1.098     0    0.038   0.038     1.098   88.214   88.214
LGA    S    71_B      S    71_B     0.675     0    0.054   0.674     2.757   90.476   84.921
LGA    E    72_B      E    72_B     1.039     0    0.071   0.578     3.044   88.214   80.053
LGA    V    73_B      V    73_B     1.505     0    0.070   0.082     2.472   70.833   70.544
LGA    K    74_B      K    74_B     1.580     0    0.068   0.905     3.985   79.286   68.042
LGA    D    75_B      D    75_B     1.177     0    0.047   0.099     1.518   83.690   80.417
LGA    R    76_B      R    76_B     0.951     0    0.068   1.052     2.771   88.214   79.437
LGA    R    77_B      R    77_B     0.246     0    0.038   1.095     4.572   97.619   78.485
LGA    R    78_B      R    78_B     0.274     0    0.048   1.437     9.123   95.238   62.641
LGA    I    79_B      I    79_B     1.242     0    0.139   1.104     2.877   83.690   74.286
LGA    S    80_B      S    80_B     0.877     0    0.016   0.046     1.524   92.857   87.619
LGA    Y    81_B      Y    81_B     0.498     0    0.013   0.177     1.728   95.238   87.619
LGA    I    82_B      I    82_B     0.223     0    0.025   0.070     0.378  100.000  100.000
LGA    L    83_B      L    83_B     0.326     0    0.009   1.385     3.104   97.619   82.619
LGA    L    84_B      L    84_B     0.588     0    0.119   0.157     1.135   90.595   90.536
LGA    R    85_B      R    85_B     0.334     0    0.037   1.308     5.803  100.000   77.576
LGA    L    86_B      L    86_B     0.222     0    0.014   0.264     0.967  100.000   98.810
LGA    K    87_B      K    87_B     0.456     0    0.024   0.475     3.061   95.238   85.291
LGA    R    88_B      R    88_B     0.679     0    0.037   1.193     5.858   90.476   69.567
LGA    I    89_B      I    89_B     0.619     0    0.655   0.737     3.425   78.095   79.226
LGA    Y    90_B      Y    90_B     1.211     0    0.133   1.229    10.775   56.905   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):     0.659          0.791                  1.802           94.355   87.633

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.66    97.384    99.000    11.328

LGA_LOCAL      RMSD:   0.659  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.659  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.659  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.034222 * X  +   0.432721 * Y  +   0.900878 * Z  +   7.429394
  Y_new =   0.063090 * X  +  -0.898673 * Y  +   0.434058 * Z  +  13.403445
  Z_new =   0.997421 * X  +   0.071691 * Y  +   0.003454 * Z  +  -2.500670 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.067811 -1.498960  1.522653   [DEG:  118.4769  -85.8841   87.2416 ]
ZXZ:  2.019792  1.567342  1.499043   [DEG:  115.7255   89.8021   85.8888 ]
 
# END of job
