
#######################################################
#                                                     #
#                        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        0.71     0.71
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.71     0.71
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.71     0.71
  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   46   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     13   33   72   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     29   77   80   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     33   77   80   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     33   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     35   75   80   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   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     38   77   80   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     58   77   80   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     52   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     52   77   80   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     53   77   80   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     49   77   80   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     52   77   80   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     56   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     33   77   80   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     58   77   80   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   41   80   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   13   62   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   16   73   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   21   80   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      9   21   75   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     52   77   80   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     52   77   80   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     33   77   80   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     33   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     58   77   80   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     51   77   80   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   80   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      4   76   80   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     58     77     80     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  67.44  89.53  93.02 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.44   0.49   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71
GDT RMS_ALL_AT   0.78   0.75   0.75   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71   0.71

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    36_B      E    36_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     1.876     0    0.580   0.660    11.219   72.024   40.899
LGA    P     6_B      P     6_B     1.899     0    0.024   0.301     3.602   72.857   64.150
LGA    N     7_B      N     7_B     0.729     0    0.078   0.066     1.401   92.976   88.333
LGA    E     8_B      E     8_B     0.872     0    0.122   0.973     5.259   86.190   62.698
LGA    I     9_B      I     9_B     1.035     0    0.117   0.120     1.433   83.690   82.560
LGA    V    10_B      V    10_B     0.672     0    0.040   0.067     1.036   90.476   89.184
LGA    I    11_B      I    11_B     0.345     0    0.041   0.087     0.689   97.619   98.810
LGA    T    12_B      T    12_B     0.807     0    0.064   0.147     1.511   90.476   85.374
LGA    K    13_B      K    13_B     0.331     0    0.133   0.911     4.493   95.238   81.058
LGA    S    14_B      S    14_B     1.317     0    0.122   0.124     1.834   79.286   77.143
LGA    K    15_B      K    15_B     0.298     0    0.140   0.650     1.618   95.238   86.667
LGA    R    16_B      R    16_B     0.169     0    0.006   0.177     1.646  100.000   92.424
LGA    I    17_B      I    17_B     0.338     0    0.008   0.123     0.528  100.000   98.810
LGA    E    18_B      E    18_B     0.361     0    0.023   0.076     0.628  100.000   98.942
LGA    D    19_B      D    19_B     0.433     0    0.009   0.058     0.808  100.000   95.238
LGA    Y    20_B      Y    20_B     0.343     0    0.027   0.067     0.585  100.000   95.238
LGA    V    21_B      V    21_B     0.217     0    0.009   0.050     0.264  100.000  100.000
LGA    L    22_B      L    22_B     0.315     0    0.031   1.368     3.051  100.000   85.000
LGA    D    23_B      D    23_B     0.297     0    0.026   0.033     0.662  100.000   96.429
LGA    T    24_B      T    24_B     0.227     0    0.010   0.023     0.300  100.000  100.000
LGA    I    25_B      I    25_B     0.087     0    0.034   0.131     0.823  100.000   97.619
LGA    I    26_B      I    26_B     0.110     0    0.010   0.073     0.647  100.000   98.810
LGA    L    27_B      L    27_B     0.206     0    0.008   0.103     0.500  100.000  100.000
LGA    F    28_B      F    28_B     0.240     0    0.003   0.179     0.585  100.000   97.403
LGA    N    29_B      N    29_B     0.392     0    0.037   1.397     4.312   97.619   78.512
LGA    Q    30_B      Q    30_B     0.394     0    0.053   0.064     0.539   95.238   96.825
LGA    G    31_B      G    31_B     0.892     0    0.025   0.025     1.056   88.214   88.214
LGA    Y    32_B      Y    32_B     0.688     0    0.142   0.124     1.153   88.214   89.722
LGA    E    33_B      E    33_B     0.609     0    0.060   0.688     2.526   92.857   81.111
LGA    E    34_B      E    34_B     0.076     0    0.011   0.203     1.421  100.000   93.757
LGA    V    35_B      V    35_B     0.267     0    0.040   0.044     0.383  100.000  100.000
LGA    E    36_B      E    36_B     0.412     0    0.026   0.099     0.682   97.619   95.767
LGA    I    37_B      I    37_B     0.562     0    0.013   0.054     0.807   92.857   91.667
LGA    R    38_B      R    38_B     0.599     0    0.041   0.209     1.740   90.476   86.407
LGA    G    39_B      G    39_B     0.456     0    0.042   0.042     0.516   97.619   97.619
LGA    S    40_B      S    40_B     0.665     0    0.057   0.634     1.854   95.238   89.206
LGA    G    41_B      G    41_B     0.319     0    0.027   0.027     0.442  100.000  100.000
LGA    Q    42_B      Q    42_B     0.158     0    0.015   0.888     2.164  100.000   91.111
LGA    E    43_B      E    43_B     0.299     0    0.040   0.886     3.079  100.000   85.608
LGA    I    44_B      I    44_B     0.278     0    0.014   0.056     0.350  100.000  100.000
LGA    N    45_B      N    45_B     0.251     0    0.014   0.875     3.186  100.000   83.988
LGA    K    46_B      K    46_B     0.250     0    0.006   0.057     0.775  100.000   96.825
LGA    A    47_B      A    47_B     0.113     0    0.006   0.010     0.205  100.000  100.000
LGA    I    48_B      I    48_B     0.092     0    0.034   0.074     0.479  100.000  100.000
LGA    E    49_B      E    49_B     0.225     0    0.014   0.454     1.081  100.000   95.820
LGA    V    50_B      V    50_B     0.207     0    0.010   0.023     0.245  100.000  100.000
LGA    Y    51_B      Y    51_B     0.057     0    0.013   0.031     0.618  100.000   99.206
LGA    N    52_B      N    52_B     0.328     0    0.024   0.029     0.542  100.000   98.810
LGA    Q    53_B      Q    53_B     0.274     0    0.008   1.032     3.081  100.000   87.302
LGA    L    54_B      L    54_B     0.133     0    0.006   1.288     2.807  100.000   85.893
LGA    V    55_B      V    55_B     0.233     0    0.009   0.040     0.491  100.000  100.000
LGA    D    56_B      D    56_B     0.287     0    0.010   0.770     2.925  100.000   85.893
LGA    R    57_B      R    57_B     0.513     0    0.015   1.598     9.672   92.857   53.074
LGA    L    58_B      L    58_B     0.451     0    0.044   0.044     0.550  100.000   98.810
LGA    K    59_B      K    59_B     0.611     0    0.048   1.085     4.493   92.857   75.979
LGA    E    60_B      E    60_B     0.545     0    0.108   0.841     2.943   92.857   84.074
LGA    G    61_B      G    61_B     0.416     0    0.048   0.048     0.502   97.619   97.619
LGA    V    62_B      V    62_B     0.191     0    0.015   0.051     0.357  100.000  100.000
LGA    R    63_B      R    63_B     0.143     0    0.031   0.280     1.695  100.000   92.424
LGA    L    64_B      L    64_B     0.112     0    0.030   0.079     0.504  100.000   98.810
LGA    E    65_B      E    65_B     0.169     0    0.039   1.069     4.330  100.000   79.577
LGA    K    66_B      K    66_B     0.338     0    0.038   0.889     4.568  100.000   82.857
LGA    V    67_B      V    67_B     0.514     0    0.031   0.037     0.736   92.857   91.837
LGA    D    68_B      D    68_B     0.801     0    0.054   0.243     1.406   90.476   89.345
LGA    I    69_B      I    69_B     0.666     0    0.035   0.075     0.902   90.476   90.476
LGA    G    70_B      G    70_B     1.029     0    0.057   0.057     1.029   88.214   88.214
LGA    S    71_B      S    71_B     0.549     0    0.028   0.666     2.957   88.214   83.413
LGA    E    72_B      E    72_B     1.143     0    0.077   0.479     3.177   85.952   78.042
LGA    V    73_B      V    73_B     1.959     0    0.039   0.067     2.925   66.905   64.898
LGA    K    74_B      K    74_B     1.940     0    0.037   0.886     4.292   75.000   62.116
LGA    D    75_B      D    75_B     1.759     0    0.037   0.058     2.250   75.000   72.917
LGA    R    76_B      R    76_B     1.774     0    0.020   1.047     2.917   77.143   73.030
LGA    R    77_B      R    77_B     0.577     0    0.019   0.735     3.396   92.857   84.589
LGA    R    78_B      R    78_B     0.612     0    0.053   0.490     4.848   88.214   65.455
LGA    I    79_B      I    79_B     1.283     0    0.150   1.109     3.008   83.690   73.393
LGA    S    80_B      S    80_B     0.912     0    0.018   0.030     1.337   88.214   87.460
LGA    Y    81_B      Y    81_B     0.603     0    0.014   0.089     1.349   90.476   87.460
LGA    I    82_B      I    82_B     0.337     0    0.030   0.122     0.519   97.619   98.810
LGA    L    83_B      L    83_B     0.358     0    0.066   0.070     0.663  100.000   96.429
LGA    L    84_B      L    84_B     0.264     0    0.086   0.109     0.722   97.619   98.810
LGA    R    85_B      R    85_B     0.151     0    0.064   1.292     5.585  100.000   77.403
LGA    L    86_B      L    86_B     0.182     0    0.022   0.090     0.386  100.000  100.000
LGA    K    87_B      K    87_B     0.454     0    0.017   0.237     1.524   95.238   90.688
LGA    R    88_B      R    88_B     0.695     0    0.016   1.194     6.028   90.476   69.177
LGA    I    89_B      I    89_B     0.686     0    0.622   0.765     3.239   78.095   81.607
LGA    Y    90_B      Y    90_B     1.004     0    0.075   1.468     8.489   56.905   36.310

# 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):     0.711          0.829                  1.719           93.696   87.409

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.71    97.384    98.654    10.602

LGA_LOCAL      RMSD:   0.711  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.711  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.711  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.258192 * X  +   0.893121 * Y  +   0.368336 * Z  +   9.370111
  Y_new =   0.274543 * X  +  -0.297714 * Y  +   0.914326 * Z  +  11.008465
  Z_new =   0.926263 * X  +   0.337196 * Y  +  -0.168333 * Z  +  -2.777724 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.325512 -1.184373  2.033815   [DEG:  133.2420  -67.8596  116.5290 ]
ZXZ:  2.758632  1.739935  1.221669   [DEG:  158.0580   99.6909   69.9965 ]
 
# END of job
