
#######################################################
#                                                     #
#                        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        1.24     1.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.24     1.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       7_B - 90_B        0.75     1.27
  LCS_AVERAGE:     95.48

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      3   86   86      3    3    3    4    5   73   83   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B      3   86   86      3    3    5    6    6    8   23   34   53   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     84   86   86     17   71   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     84   86   86     53   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     84   86   86     56   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     84   86   86     59   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     84   86   86     26   73   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     84   86   86     59   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     84   86   86     42   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     84   86   86     15   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     84   86   86     28   74   79   82   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     84   86   86     48   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     84   86   86     56   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     84   86   86     59   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     84   86   86     59   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     84   86   86     48   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     84   86   86      7   53   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     84   86   86      7   11   47   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     84   86   86      7   11   32   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     84   86   86      7   19   75   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     84   86   86      7   50   76   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     84   86   86      8   72   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     84   86   86     53   73   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     84   86   86     48   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     84   86   86     60   74   79   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     84   86   86      3    4   77   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  98.49  (  95.48  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     60     74     79     83     84     84     84     85     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  69.77  86.05  91.86  96.51  97.67  97.67  97.67  98.84  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.41   0.53   0.73   0.75   0.75   0.75   0.97   0.97   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24
GDT RMS_ALL_AT   1.33   1.33   1.30   1.27   1.27   1.27   1.27   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24

# 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:  E    65_B      E    65_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     5.559     0    0.626   0.697     6.246   23.929   24.815
LGA    P     6_B      P     6_B     7.337     0    0.667   0.757    10.338   16.905   10.272
LGA    N     7_B      N     7_B     1.181     0    0.507   1.128     4.016   84.643   71.429
LGA    E     8_B      E     8_B     0.651     0    0.068   0.778     5.723   90.476   62.751
LGA    I     9_B      I     9_B     0.764     0    0.137   0.129     1.330   88.214   89.345
LGA    V    10_B      V    10_B     0.531     0    0.043   0.084     0.855   92.857   91.837
LGA    I    11_B      I    11_B     0.312     0    0.034   0.095     0.626   97.619   98.810
LGA    T    12_B      T    12_B     0.702     0    0.111   0.175     1.276   92.857   87.959
LGA    K    13_B      K    13_B     0.404     0    0.130   0.880     4.296   92.976   80.053
LGA    S    14_B      S    14_B     1.343     0    0.112   0.123     1.792   79.286   77.143
LGA    K    15_B      K    15_B     0.269     0    0.132   0.674     1.492   95.238   88.571
LGA    R    16_B      R    16_B     0.085     0    0.025   0.141     1.462  100.000   93.203
LGA    I    17_B      I    17_B     0.237     0    0.018   0.108     0.295  100.000  100.000
LGA    E    18_B      E    18_B     0.299     0    0.031   0.156     0.363  100.000  100.000
LGA    D    19_B      D    19_B     0.463     0    0.015   0.085     0.764  100.000   95.238
LGA    Y    20_B      Y    20_B     0.289     0    0.029   0.121     0.382  100.000  100.000
LGA    V    21_B      V    21_B     0.220     0    0.009   0.043     0.385  100.000  100.000
LGA    L    22_B      L    22_B     0.480     0    0.054   1.357     2.917   95.238   82.321
LGA    D    23_B      D    23_B     0.610     0    0.013   0.156     0.906   92.857   91.667
LGA    T    24_B      T    24_B     0.261     0    0.008   0.039     0.343  100.000  100.000
LGA    I    25_B      I    25_B     0.373     0    0.032   0.131     0.699  100.000   97.619
LGA    I    26_B      I    26_B     0.407     0    0.035   0.043     0.633   97.619   98.810
LGA    L    27_B      L    27_B     0.522     0    0.030   0.132     0.786   92.857   92.857
LGA    F    28_B      F    28_B     0.634     0    0.022   0.069     0.965   90.476   94.805
LGA    N    29_B      N    29_B     1.083     0    0.024   1.407     5.147   83.690   66.190
LGA    Q    30_B      Q    30_B     1.202     0    0.067   0.085     1.282   81.429   81.429
LGA    G    31_B      G    31_B     1.598     0    0.063   0.063     1.598   79.286   79.286
LGA    Y    32_B      Y    32_B     1.015     0    0.123   0.158     1.397   83.690   82.183
LGA    E    33_B      E    33_B     0.467     0    0.009   0.746     2.968   97.619   82.275
LGA    E    34_B      E    34_B     0.377     0    0.027   0.176     1.156  100.000   92.698
LGA    V    35_B      V    35_B     0.104     0    0.026   0.039     0.216  100.000  100.000
LGA    E    36_B      E    36_B     0.262     0    0.026   0.111     0.432  100.000  100.000
LGA    I    37_B      I    37_B     0.458     0    0.016   0.062     0.514  100.000   97.619
LGA    R    38_B      R    38_B     0.496     0    0.081   0.148     1.531  100.000   89.870
LGA    G    39_B      G    39_B     0.496     0    0.049   0.049     0.521   97.619   97.619
LGA    S    40_B      S    40_B     0.687     0    0.087   0.654     1.794   92.857   87.619
LGA    G    41_B      G    41_B     0.263     0    0.044   0.044     0.472  100.000  100.000
LGA    Q    42_B      Q    42_B     0.138     0    0.012   0.820     2.370  100.000   92.011
LGA    E    43_B      E    43_B     0.295     0    0.027   0.844     2.869  100.000   86.402
LGA    I    44_B      I    44_B     0.186     0    0.041   0.086     0.375  100.000  100.000
LGA    N    45_B      N    45_B     0.281     0    0.012   0.895     3.387  100.000   85.952
LGA    K    46_B      K    46_B     0.279     0    0.015   0.062     0.313  100.000  100.000
LGA    A    47_B      A    47_B     0.132     0    0.012   0.012     0.276  100.000  100.000
LGA    I    48_B      I    48_B     0.131     0    0.056   0.064     0.359  100.000  100.000
LGA    E    49_B      E    49_B     0.349     0    0.016   0.744     4.025  100.000   80.899
LGA    V    50_B      V    50_B     0.157     0    0.018   0.041     0.268  100.000  100.000
LGA    Y    51_B      Y    51_B     0.217     0    0.025   0.093     0.812  100.000   94.444
LGA    N    52_B      N    52_B     0.418     0    0.069   0.109     0.602   97.619   97.619
LGA    Q    53_B      Q    53_B     0.285     0    0.023   0.066     0.334  100.000  100.000
LGA    L    54_B      L    54_B     0.193     0    0.014   0.042     0.242  100.000  100.000
LGA    V    55_B      V    55_B     0.262     0    0.027   0.064     0.394  100.000  100.000
LGA    D    56_B      D    56_B     0.277     0    0.018   0.708     2.855  100.000   86.845
LGA    R    57_B      R    57_B     0.373     0    0.018   1.617     9.659   97.619   56.797
LGA    L    58_B      L    58_B     0.392     0    0.024   0.043     0.515  100.000   98.810
LGA    K    59_B      K    59_B     0.519     0    0.012   0.993     4.790   95.238   79.788
LGA    E    60_B      E    60_B     0.355     0    0.067   0.868     3.688  100.000   83.968
LGA    G    61_B      G    61_B     0.442     0    0.060   0.060     0.442  100.000  100.000
LGA    V    62_B      V    62_B     0.336     0    0.072   0.090     0.419  100.000  100.000
LGA    R    63_B      R    63_B     0.261     0    0.024   0.166     1.189  100.000   94.026
LGA    L    64_B      L    64_B     0.322     0    0.015   0.042     0.431  100.000  100.000
LGA    E    65_B      E    65_B     0.321     0    0.022   0.161     0.652  100.000   98.942
LGA    K    66_B      K    66_B     0.450     0    0.037   0.766     4.188  100.000   84.339
LGA    V    67_B      V    67_B     0.581     0    0.037   0.044     0.788   90.476   90.476
LGA    D    68_B      D    68_B     0.921     0    0.065   0.161     1.302   90.476   89.345
LGA    I    69_B      I    69_B     0.595     0    0.061   0.059     0.733   90.476   90.476
LGA    G    70_B      G    70_B     0.987     0    0.044   0.044     0.987   90.476   90.476
LGA    S    71_B      S    71_B     0.498     0    0.068   0.656     3.140   90.595   83.810
LGA    E    72_B      E    72_B     1.290     0    0.073   0.278     2.444   85.952   78.730
LGA    V    73_B      V    73_B     2.227     0    0.074   0.083     3.346   59.167   57.279
LGA    K    74_B      K    74_B     2.197     0    0.068   0.881     4.606   70.833   58.889
LGA    D    75_B      D    75_B     2.073     0    0.059   0.082     2.446   68.810   67.798
LGA    R    76_B      R    76_B     2.144     0    0.051   1.042     3.450   68.810   64.978
LGA    R    77_B      R    77_B     1.010     0    0.018   0.780     3.587   85.952   78.268
LGA    R    78_B      R    78_B     0.962     0    0.031   0.625     5.714   88.214   60.996
LGA    I    79_B      I    79_B     1.075     0    0.148   1.099     2.828   85.952   75.417
LGA    S    80_B      S    80_B     0.784     0    0.020   0.059     1.365   92.857   90.556
LGA    Y    81_B      Y    81_B     0.527     0    0.017   0.108     1.447   92.857   88.254
LGA    I    82_B      I    82_B     0.345     0    0.024   0.067     0.472  100.000  100.000
LGA    L    83_B      L    83_B     0.407     0    0.042   0.070     0.622  100.000   96.429
LGA    L    84_B      L    84_B     0.255     0    0.105   0.134     0.729   97.619   98.810
LGA    R    85_B      R    85_B     0.202     0    0.061   1.269     5.358  100.000   79.221
LGA    L    86_B      L    86_B     0.235     0    0.010   0.090     0.452  100.000  100.000
LGA    K    87_B      K    87_B     0.380     0    0.017   0.328     2.064  100.000   91.958
LGA    R    88_B      R    88_B     0.487     0    0.015   1.172     6.446   97.619   67.229
LGA    I    89_B      I    89_B     0.389     0    0.656   0.787     2.666   86.905   89.048
LGA    Y    90_B      Y    90_B     1.618     0    0.061   1.498     5.646   53.810   43.254

# 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):     1.236          1.240                  1.850           92.076   86.498

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     85    0.97    95.349    97.501     7.970

LGA_LOCAL      RMSD:   0.966  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.245  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.236  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.406320 * X  +   0.387014 * Y  +   0.827722 * Z  +   8.611347
  Y_new =   0.476253 * X  +  -0.683391 * Y  +   0.553317 * Z  +   9.166490
  Z_new =   0.779799 * X  +   0.619029 * Y  +   0.093358 * Z  +  -4.786283 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.277122 -0.894345  1.421110   [DEG:  130.4695  -51.2422   81.4236 ]
ZXZ:  2.160055  1.477302  0.899828   [DEG:  123.7620   84.6432   51.5564 ]
 
# END of job
