
#######################################################
#                                                     #
#                        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        0.95     0.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.95     0.95
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.95     0.95
  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    6   39   73   83   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    6   39   51   84   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     24   71   81   83   84   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     39   71   81   83   84   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     31   71   81   83   84   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     31   71   81   83   84   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     41   71   81   83   84   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     31   71   81   83   84   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     27   71   81   83   84   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     18   71   81   83   84   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     32   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     31   71   81   83   84   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     31   71   81   83   84   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     31   71   81   83   84   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     39   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     24   71   81   83   84   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     41   71   81   83   84   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     39   71   81   83   84   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     35   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     37   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     37   71   81   83   84   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     27   71   81   83   84   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     41   71   81   83   84   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     34   71   81   83   84   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     27   70   81   83   84   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     27   71   81   83   84   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     24   71   81   83   84   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     17   65   81   83   84   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     12   45   81   83   84   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     11   65   81   83   84   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     15   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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   60   81   83   84   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   28   81   83   84   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   17   49   83   84   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      5   17   61   83   84   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      3   14   81   83   84   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     15   71   81   83   84   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     41   71   81   83   84   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     24   67   81   83   84   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     36   71   81   83   84   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     36   71   81   83   84   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     36   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     41   71   81   83   84   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     21   71   81   83   84   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     21   71   81   83   84   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      3   44   71   82   84   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     41     71     81     83     84     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  47.67  82.56  94.19  96.51  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
GDT RMS_LOCAL    0.32   0.53   0.70   0.80   0.84   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95
GDT RMS_ALL_AT   1.00   1.02   0.98   0.97   0.96   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95   0.95

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  Y    20_B      Y    20_B
#   possible swapping detected:  F    28_B      F    28_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    33_B      E    33_B
#   possible swapping detected:  E    34_B      E    34_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    60_B      E    60_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  Y    81_B      Y    81_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     3.133     0    0.571   0.657    12.926   52.857   28.624
LGA    P     6_B      P     6_B     2.939     0    0.055   0.326     4.847   60.952   50.816
LGA    N     7_B      N     7_B     0.853     0    0.049   0.269     2.294   88.452   83.988
LGA    E     8_B      E     8_B     0.901     0    0.098   0.868     5.438   86.190   60.794
LGA    I     9_B      I     9_B     1.060     0    0.081   0.093     1.494   83.690   84.821
LGA    V    10_B      V    10_B     1.038     0    0.018   0.051     1.229   83.690   84.014
LGA    I    11_B      I    11_B     0.706     0    0.038   0.102     0.798   90.476   91.667
LGA    T    12_B      T    12_B     0.999     0    0.130   0.222     1.290   85.952   84.014
LGA    K    13_B      K    13_B     1.024     0    0.051   0.615     2.119   81.429   82.593
LGA    S    14_B      S    14_B     1.214     0    0.043   0.136     1.310   83.690   82.937
LGA    K    15_B      K    15_B     0.735     0    0.147   0.607     1.434   88.214   89.524
LGA    R    16_B      R    16_B     0.537     0    0.036   0.673     1.593   95.238   89.784
LGA    I    17_B      I    17_B     0.349     0    0.016   0.666     2.074  100.000   94.405
LGA    E    18_B      E    18_B     0.255     0    0.011   1.382     5.939  100.000   73.386
LGA    D    19_B      D    19_B     0.245     0    0.027   0.181     0.817  100.000   97.619
LGA    Y    20_B      Y    20_B     0.220     0    0.028   0.198     1.664  100.000   90.714
LGA    V    21_B      V    21_B     0.164     0    0.028   0.042     0.278  100.000  100.000
LGA    L    22_B      L    22_B     0.284     0    0.010   0.128     0.928  100.000   96.429
LGA    D    23_B      D    23_B     0.365     0    0.019   0.076     0.625  100.000   97.619
LGA    T    24_B      T    24_B     0.284     0    0.019   0.089     0.348  100.000  100.000
LGA    I    25_B      I    25_B     0.461     0    0.056   0.136     1.207  100.000   94.167
LGA    I    26_B      I    26_B     0.267     0    0.038   0.055     0.514   97.619   98.810
LGA    L    27_B      L    27_B     0.360     0    0.014   0.147     0.634   95.238   96.429
LGA    F    28_B      F    28_B     0.575     0    0.021   0.259     0.751   90.476   92.208
LGA    N    29_B      N    29_B     0.934     0    0.018   1.387     4.792   85.952   69.107
LGA    Q    30_B      Q    30_B     0.944     0    0.048   0.081     0.966   90.476   90.476
LGA    G    31_B      G    31_B     1.027     0    0.030   0.030     1.044   85.952   85.952
LGA    Y    32_B      Y    32_B     0.771     0    0.091   0.168     1.200   90.476   88.214
LGA    E    33_B      E    33_B     0.411     0    0.023   0.696     2.405  100.000   86.032
LGA    E    34_B      E    34_B     0.131     0    0.031   0.194     1.225  100.000   94.815
LGA    V    35_B      V    35_B     0.286     0    0.044   0.074     0.415  100.000  100.000
LGA    E    36_B      E    36_B     0.547     0    0.016   0.212     0.893   92.857   91.534
LGA    I    37_B      I    37_B     0.688     0    0.042   0.083     1.064   92.857   90.536
LGA    R    38_B      R    38_B     0.740     0    0.056   1.237     7.063   90.476   61.602
LGA    G    39_B      G    39_B     0.821     0    0.137   0.137     0.880   90.476   90.476
LGA    S    40_B      S    40_B     0.751     0    0.050   0.114     1.349   90.476   87.460
LGA    G    41_B      G    41_B     0.771     0    0.021   0.021     0.780   90.476   90.476
LGA    Q    42_B      Q    42_B     0.901     0    0.006   0.562     2.368   90.476   81.693
LGA    E    43_B      E    43_B     0.487     0    0.039   1.163     4.251   97.619   85.026
LGA    I    44_B      I    44_B     0.144     0    0.014   0.066     0.318  100.000  100.000
LGA    N    45_B      N    45_B     0.619     0    0.057   0.837     3.468   92.857   79.226
LGA    K    46_B      K    46_B     0.591     0    0.024   0.893     4.924   92.857   76.561
LGA    A    47_B      A    47_B     0.338     0    0.016   0.016     0.521   97.619   98.095
LGA    I    48_B      I    48_B     0.442     0    0.044   0.052     0.677   95.238   97.619
LGA    E    49_B      E    49_B     0.610     0    0.016   1.082     4.893   92.857   70.794
LGA    V    50_B      V    50_B     0.208     0    0.023   0.034     0.342  100.000  100.000
LGA    Y    51_B      Y    51_B     0.509     0    0.016   0.100     0.929   92.857   91.270
LGA    N    52_B      N    52_B     0.829     0    0.040   0.078     1.033   88.214   89.345
LGA    Q    53_B      Q    53_B     0.505     0    0.022   0.166     1.050   95.238   92.646
LGA    L    54_B      L    54_B     0.553     0    0.027   0.090     0.792   92.857   94.048
LGA    V    55_B      V    55_B     1.086     0    0.037   0.050     1.699   83.690   81.497
LGA    D    56_B      D    56_B     0.929     0    0.018   0.745     2.879   90.476   78.929
LGA    R    57_B      R    57_B     0.788     0    0.045   1.641     9.835   85.952   51.299
LGA    L    58_B      L    58_B     1.216     0    0.041   0.070     1.408   81.429   81.429
LGA    K    59_B      K    59_B     1.429     0    0.046   1.111     5.770   81.429   62.487
LGA    E    60_B      E    60_B     1.319     0    0.019   0.822     2.973   85.952   75.238
LGA    G    61_B      G    61_B     0.802     0    0.088   0.088     0.975   90.476   90.476
LGA    V    62_B      V    62_B     0.195     0    0.114   0.914     2.427   97.619   88.571
LGA    R    63_B      R    63_B     0.415     0    0.045   1.165     4.161  100.000   84.242
LGA    L    64_B      L    64_B     0.118     0    0.103   0.137     0.479  100.000  100.000
LGA    E    65_B      E    65_B     0.317     0    0.027   0.217     0.484  100.000  100.000
LGA    K    66_B      K    66_B     0.239     0    0.080   0.538     1.807  100.000   95.926
LGA    V    67_B      V    67_B     0.270     0    0.052   0.081     0.532   97.619   98.639
LGA    D    68_B      D    68_B     0.401     0    0.098   0.248     0.800   95.238   96.429
LGA    I    69_B      I    69_B     0.394     0    0.106   1.099     3.370   97.619   80.714
LGA    G    70_B      G    70_B     0.557     0    0.017   0.017     0.726   90.476   90.476
LGA    S    71_B      S    71_B     0.723     0    0.025   0.031     0.745   90.476   92.063
LGA    E    72_B      E    72_B     1.189     0    0.104   0.561     5.234   85.952   63.016
LGA    V    73_B      V    73_B     1.616     0    0.039   0.038     2.836   66.905   67.143
LGA    K    74_B      K    74_B     2.364     0    0.145   0.923     5.909   64.881   49.788
LGA    D    75_B      D    75_B     2.460     0    0.585   0.589     4.576   54.524   57.738
LGA    R    76_B      R    76_B     1.549     0    0.063   1.529     5.010   77.143   63.247
LGA    R    77_B      R    77_B     0.850     0    0.050   1.164     6.242   88.214   65.281
LGA    R    78_B      R    78_B     0.369     0    0.037   0.228     2.744   95.238   84.416
LGA    I    79_B      I    79_B     1.252     0    0.107   1.145     2.808   85.952   75.417
LGA    S    80_B      S    80_B     0.835     0    0.070   0.713     1.913   92.857   89.127
LGA    Y    81_B      Y    81_B     0.779     0    0.060   1.362    10.280   90.476   50.952
LGA    I    82_B      I    82_B     0.715     0    0.041   0.143     0.862   90.476   90.476
LGA    L    83_B      L    83_B     0.325     0    0.039   0.830     2.207   97.619   91.012
LGA    L    84_B      L    84_B     0.378     0    0.089   0.167     0.897   97.619   98.810
LGA    R    85_B      R    85_B     0.301     0    0.037   1.214     6.230  100.000   76.623
LGA    L    86_B      L    86_B     0.247     0    0.027   1.083     2.708  100.000   89.048
LGA    K    87_B      K    87_B     0.246     0    0.040   0.203     1.288  100.000   94.815
LGA    R    88_B      R    88_B     0.768     0    0.031   1.195     6.372   90.476   65.931
LGA    I    89_B      I    89_B     0.976     0    0.139   1.349     3.191   88.214   78.988
LGA    Y    90_B      Y    90_B     2.156     0    0.666   1.260    13.857   73.214   29.484

# 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):     0.955          0.974                  2.254           90.716   83.234

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.95    94.767    97.792     8.153

LGA_LOCAL      RMSD:   0.955  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.955  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.955  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.062184 * X  +   0.382938 * Y  +   0.921679 * Z  +  11.717094
  Y_new =  -0.116977 * X  +   0.919897 * Y  +  -0.374306 * Z  +   6.262386
  Z_new =  -0.991186 * X  +  -0.084540 * Y  +   0.101998 * Z  +  13.902220 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.082198  1.437927 -0.692079   [DEG:  -62.0054   82.3872  -39.6532 ]
ZXZ:  1.185031  1.468621 -1.655882   [DEG:   67.8973   84.1458  -94.8750 ]
 
# END of job
