
#######################################################
#                                                     #
#                        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      5   22   42   75   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      5   22   42   83   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     15   66   80   83   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     21   72   80   83   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     21   72   80   83   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     22   72   80   83   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     45   72   80   83   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     21   72   80   83   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     30   72   80   83   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     30   72   80   83   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     38   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     23   72   80   83   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     22   72   80   83   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     21   72   80   83   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     34   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     43   72   80   83   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     23   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     44   72   80   83   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     45   72   80   83   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     37   72   80   83   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     30   72   80   83   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     45   72   80   83   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     40   72   80   83   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     30   72   80   83   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     30   72   80   83   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     35   72   80   83   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     15   66   80   83   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     10   46   80   83   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      8   25   70   83   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     12   68   80   83   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     45   72   80   83   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     42   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     44   72   80   83   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      3   41   80   83   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      3   17   37   83   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      3    6   53   75   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     10   39   78   83   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     10   42   80   83   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     10   66   80   83   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     42   72   80   83   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     23   72   80   83   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     23   72   80   83   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     23   72   80   83   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     30   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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     45   72   80   83   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      3   54   80   83   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     45     72     80     83     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  52.33  83.72  93.02  96.51 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.53   0.69   0.79   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   0.95
GDT RMS_ALL_AT   1.03   1.05   0.98   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   0.95

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_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:  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     2.872     0    0.567   0.945    12.327   57.976   30.899
LGA    P     6_B      P     6_B     2.577     0    0.054   0.083     3.895   65.000   56.667
LGA    N     7_B      N     7_B     1.034     0    0.263   0.225     1.618   86.190   85.000
LGA    E     8_B      E     8_B     1.249     0    0.100   0.843     5.152   77.381   57.196
LGA    I     9_B      I     9_B     1.351     0    0.065   0.596     1.500   79.286   80.357
LGA    V    10_B      V    10_B     1.188     0    0.016   0.058     1.453   81.429   81.429
LGA    I    11_B      I    11_B     0.774     0    0.041   0.101     0.888   90.476   90.476
LGA    T    12_B      T    12_B     1.108     0    0.129   0.220     1.438   83.690   82.721
LGA    K    13_B      K    13_B     1.065     0    0.051   0.614     2.184   81.429   83.598
LGA    S    14_B      S    14_B     1.235     0    0.045   0.136     1.324   83.690   82.937
LGA    K    15_B      K    15_B     0.694     0    0.145   0.607     1.522   88.214   86.508
LGA    R    16_B      R    16_B     0.558     0    0.037   0.698     1.755   95.238   89.784
LGA    I    17_B      I    17_B     0.417     0    0.017   0.668     2.088  100.000   93.214
LGA    E    18_B      E    18_B     0.342     0    0.019   0.875     3.768  100.000   85.026
LGA    D    19_B      D    19_B     0.413     0    0.031   0.190     0.996  100.000   95.238
LGA    Y    20_B      Y    20_B     0.239     0    0.028   0.196     1.688  100.000   90.714
LGA    V    21_B      V    21_B     0.184     0    0.032   0.040     0.305  100.000  100.000
LGA    L    22_B      L    22_B     0.335     0    0.028   1.382     3.252  100.000   85.952
LGA    D    23_B      D    23_B     0.351     0    0.022   0.068     0.781  100.000   96.429
LGA    T    24_B      T    24_B     0.184     0    0.017   0.068     0.228  100.000  100.000
LGA    I    25_B      I    25_B     0.278     0    0.041   0.124     0.746  100.000   97.619
LGA    I    26_B      I    26_B     0.199     0    0.040   0.056     0.465  100.000  100.000
LGA    L    27_B      L    27_B     0.290     0    0.014   0.128     0.564   97.619   97.619
LGA    F    28_B      F    28_B     0.480     0    0.024   0.123     0.652   95.238   96.537
LGA    N    29_B      N    29_B     0.865     0    0.017   1.386     4.858   88.214   70.238
LGA    Q    30_B      Q    30_B     0.921     0    0.049   0.082     0.935   90.476   90.476
LGA    G    31_B      G    31_B     0.980     0    0.031   0.031     0.999   90.476   90.476
LGA    Y    32_B      Y    32_B     0.676     0    0.097   0.116     0.991   90.476   90.476
LGA    E    33_B      E    33_B     0.429     0    0.017   0.692     2.378  100.000   86.032
LGA    E    34_B      E    34_B     0.115     0    0.031   0.194     1.200  100.000   94.815
LGA    V    35_B      V    35_B     0.111     0    0.056   0.083     0.339  100.000  100.000
LGA    E    36_B      E    36_B     0.459     0    0.027   0.225     0.894   95.238   92.593
LGA    I    37_B      I    37_B     0.657     0    0.059   0.102     1.161   92.857   90.536
LGA    R    38_B      R    38_B     0.787     0    0.060   1.211     6.773   90.476   62.381
LGA    G    39_B      G    39_B     0.950     0    0.138   0.138     1.010   88.214   88.214
LGA    S    40_B      S    40_B     0.823     0    0.050   0.111     1.383   90.476   87.460
LGA    G    41_B      G    41_B     0.700     0    0.021   0.021     0.700   90.476   90.476
LGA    Q    42_B      Q    42_B     0.758     0    0.006   0.605     2.090   90.476   83.651
LGA    E    43_B      E    43_B     0.457     0    0.039   1.160     4.272   97.619   85.026
LGA    I    44_B      I    44_B     0.133     0    0.013   0.069     0.300  100.000  100.000
LGA    N    45_B      N    45_B     0.521     0    0.058   0.832     3.481   92.857   79.226
LGA    K    46_B      K    46_B     0.526     0    0.023   0.896     4.884   95.238   77.619
LGA    A    47_B      A    47_B     0.293     0    0.014   0.014     0.544   97.619   98.095
LGA    I    48_B      I    48_B     0.438     0    0.041   0.052     0.700   95.238   97.619
LGA    E    49_B      E    49_B     0.629     0    0.015   1.085     4.899   90.476   70.582
LGA    V    50_B      V    50_B     0.233     0    0.022   0.033     0.371  100.000  100.000
LGA    Y    51_B      Y    51_B     0.501     0    0.019   0.093     0.795   92.857   91.270
LGA    N    52_B      N    52_B     0.845     0    0.039   0.079     1.068   88.214   89.345
LGA    Q    53_B      Q    53_B     0.600     0    0.015   0.167     1.195   90.476   89.471
LGA    L    54_B      L    54_B     0.487     0    0.023   0.077     0.645   95.238   97.619
LGA    V    55_B      V    55_B     0.908     0    0.039   0.063     1.446   88.214   85.306
LGA    D    56_B      D    56_B     0.834     0    0.026   0.737     3.229   90.476   77.143
LGA    R    57_B      R    57_B     0.579     0    0.012   1.454     7.915   90.595   59.913
LGA    L    58_B      L    58_B     1.112     0    0.027   0.054     1.374   83.690   85.952
LGA    K    59_B      K    59_B     1.317     0    0.083   1.302     6.176   81.429   64.497
LGA    E    60_B      E    60_B     1.899     0    0.020   0.817     3.763   77.143   63.757
LGA    G    61_B      G    61_B     1.035     0    0.027   0.027     1.275   85.952   85.952
LGA    V    62_B      V    62_B     0.409     0    0.072   0.117     0.861   97.619   95.918
LGA    R    63_B      R    63_B     0.361     0    0.056   1.161     4.492  100.000   81.991
LGA    L    64_B      L    64_B     0.116     0    0.097   0.152     0.813  100.000   97.619
LGA    E    65_B      E    65_B     0.245     0    0.029   0.299     0.842  100.000   98.942
LGA    K    66_B      K    66_B     0.272     0    0.078   0.522     1.589  100.000   95.926
LGA    V    67_B      V    67_B     0.385     0    0.025   1.134     2.657   97.619   87.279
LGA    D    68_B      D    68_B     0.539     0    0.075   0.242     0.754   90.476   92.857
LGA    I    69_B      I    69_B     0.623     0    0.105   1.113     3.603   88.214   74.226
LGA    G    70_B      G    70_B     0.619     0    0.019   0.019     0.742   90.476   90.476
LGA    S    71_B      S    71_B     0.747     0    0.028   0.058     0.874   90.476   90.476
LGA    E    72_B      E    72_B     1.189     0    0.068   0.946     6.152   85.952   61.534
LGA    V    73_B      V    73_B     2.022     0    0.646   0.601     3.912   61.429   62.857
LGA    K    74_B      K    74_B     2.945     0    0.388   1.135     5.606   47.619   40.000
LGA    D    75_B      D    75_B     1.926     0    0.069   0.848     4.383   75.000   60.298
LGA    R    76_B      R    76_B     1.476     0    0.098   1.015     3.065   81.548   71.039
LGA    R    77_B      R    77_B     1.036     0    0.038   0.961     5.410   85.952   63.420
LGA    R    78_B      R    78_B     0.384     0    0.060   1.290     6.573   95.238   66.667
LGA    I    79_B      I    79_B     1.143     0    0.119   1.126     2.784   88.214   75.595
LGA    S    80_B      S    80_B     0.854     0    0.067   0.707     1.929   90.476   87.540
LGA    Y    81_B      Y    81_B     0.858     0    0.067   1.368    10.499   90.476   50.317
LGA    I    82_B      I    82_B     0.831     0    0.035   0.142     1.063   90.476   89.345
LGA    L    83_B      L    83_B     0.434     0    0.023   0.799     2.100   95.238   89.821
LGA    L    84_B      L    84_B     0.298     0    0.068   0.771     1.797   97.619   90.833
LGA    R    85_B      R    85_B     0.250     0    0.042   1.226     6.280  100.000   76.623
LGA    L    86_B      L    86_B     0.246     0    0.030   1.053     2.514  100.000   89.048
LGA    K    87_B      K    87_B     0.267     0    0.036   0.199     1.266  100.000   94.815
LGA    R    88_B      R    88_B     0.631     0    0.056   1.176     6.600   90.476   65.887
LGA    I    89_B      I    89_B     0.844     0    0.036   0.647     2.204   86.071   79.524
LGA    Y    90_B      Y    90_B     1.520     0    0.504   1.168    11.241   86.190   40.317

# 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):     0.951          0.982                  2.148           90.662   82.829

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.95    95.058    97.950     8.180

LGA_LOCAL      RMSD:   0.951  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.951  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.951  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.901123 * X  +   0.429313 * Y  +   0.060560 * Z  +   8.420786
  Y_new =  -0.433129 * X  +   0.897644 * Y  +   0.081447 * Z  +   8.174652
  Z_new =  -0.019395 * X  +  -0.099625 * Y  +   0.994836 * Z  +  11.762450 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.448052  0.019396 -0.099809   [DEG:  -25.6715    1.1113   -5.7186 ]
ZXZ:  2.502233  0.101670 -2.949316   [DEG:  143.3674    5.8253 -168.9834 ]
 
# END of job
