
#######################################################
#                                                     #
#                        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   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   87 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        2.04     2.04
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.30     2.07
  LCS_AVERAGE:     97.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.94     2.12
  LCS_AVERAGE:     95.56

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     G     1_A     G     1_A      4    4   87      3    3    4    5    5    5    6    7    8   10   10   12   27   29   32   68   76   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   86   87      3    3    4    5    9   27   40   63   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   86   87      3    3    4    5    5    5   14   39   69   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   86   87     66   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   86   87     66   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   86   87     66   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   86   87     60   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   86   87     15   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   86   87     47   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   86   87     44   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   86   87     25   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   86   87     24   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   86   87     24   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   86   87     14   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   86   87     68   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   86   87     45   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   86   87     20   82   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   86   87     37   83   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_AVERAGE  LCS_A:  97.78  (  95.56   97.77  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     68     83     84     84     84     84     84     84     84     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  78.16  95.40  96.55  96.55  96.55  96.55  96.55  96.55  96.55  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.39   0.42   0.42   0.42   0.42   0.42   0.42   0.42   1.30   1.30   1.30   1.30   1.30   1.30   1.30   1.30   2.04   2.04   2.04
GDT RMS_ALL_AT   2.17   2.16   2.16   2.16   2.16   2.16   2.16   2.16   2.16   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.04   2.04   2.04

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  Y    78_A      Y    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.790     0    0.081   0.081    18.009    0.000    0.000
LGA    S     2_A      S     2_A     8.995     0    0.048   0.777    11.330    2.619    6.825
LGA    A     3_A      A     3_A     7.906     0    0.636   0.597     9.471   14.881   12.190
LGA    D     4_A      D     4_A     0.655     0    0.578   1.358     5.505   82.738   62.976
LGA    L     5_A      L     5_A     0.440     0    0.099   0.105     0.577   97.619   96.429
LGA    A     6_A      A     6_A     0.593     0    0.041   0.050     0.748   95.238   94.286
LGA    H     7_A      H     7_A     0.542     0    0.048   1.140     2.444   95.238   84.571
LGA    G     8_A      G     8_A     0.275     0    0.048   0.048     0.438  100.000  100.000
LGA    K     9_A      K     9_A     0.214     0    0.021   0.057     0.421  100.000  100.000
LGA    A    10_A      A    10_A     0.342     0    0.043   0.053     0.447  100.000  100.000
LGA    I    11_A      I    11_A     0.273     0    0.021   0.097     0.493  100.000  100.000
LGA    F    12_A      F    12_A     0.117     0    0.010   0.072     0.216  100.000  100.000
LGA    A    13_A      A    13_A     0.223     0    0.027   0.036     0.357  100.000  100.000
LGA    G    14_A      G    14_A     0.329     0    0.025   0.025     0.454  100.000  100.000
LGA    N    15_A      N    15_A     0.359     0    0.025   0.045     0.707  100.000   96.429
LGA    C    16_A      C    16_A     0.159     0    0.053   0.103     0.389  100.000  100.000
LGA    A    17_A      A    17_A     0.122     0    0.033   0.045     0.313  100.000  100.000
LGA    A    18_A      A    18_A     0.380     0    0.047   0.045     0.565   97.619   96.190
LGA    C    19_A      C    19_A     0.327     0    0.024   0.080     0.601   97.619   96.825
LGA    H    20_A      H    20_A     0.348     0    0.112   0.101     0.413  100.000  100.000
LGA    N    21_A      N    21_A     0.576     0    0.040   0.233     1.154   95.238   91.726
LGA    G    22_A      G    22_A     0.527     0    0.032   0.032     0.698   92.857   92.857
LGA    G    23_A      G    23_A     0.471     0    0.036   0.036     0.512   97.619   97.619
LGA    L    24_A      L    24_A     0.252     0    0.083   0.158     0.804  100.000   96.429
LGA    N    25_A      N    25_A     0.262     0    0.013   0.082     0.400  100.000  100.000
LGA    A    26_A      A    26_A     0.277     0    0.143   0.145     0.872   97.619   98.095
LGA    I    27_A      I    27_A     0.661     0    0.047   0.613     1.782   90.476   88.274
LGA    N    28_A      N    28_A     0.475     0    0.034   0.039     0.888   95.238   92.857
LGA    P    29_A      P    29_A     0.397     0    0.019   0.041     0.581   95.238   97.279
LGA    S    30_A      S    30_A     0.715     0    0.040   0.063     0.908   90.476   90.476
LGA    K    31_A      K    31_A     0.780     0    0.063   0.915     2.638   90.476   85.767
LGA    T    32_A      T    32_A     0.371     0    0.011   0.060     0.480  100.000  100.000
LGA    L    33_A      L    33_A     0.110     0    0.032   0.092     0.214  100.000  100.000
LGA    K    34_A      K    34_A     0.221     0    0.011   0.125     1.415  100.000   95.820
LGA    M    35_A      M    35_A     0.261     0    0.056   0.066     0.292  100.000  100.000
LGA    A    36_A      A    36_A     0.182     0    0.022   0.030     0.255  100.000  100.000
LGA    D    37_A      D    37_A     0.077     0    0.018   0.101     0.402  100.000  100.000
LGA    L    38_A      L    38_A     0.197     0    0.024   0.058     0.375  100.000  100.000
LGA    E    39_A      E    39_A     0.092     0    0.059   1.004     2.989  100.000   82.646
LGA    A    40_A      A    40_A     0.164     0    0.023   0.033     0.366  100.000  100.000
LGA    N    41_A      N    41_A     0.561     0    0.022   0.140     0.953   92.857   91.667
LGA    G    42_A      G    42_A     0.668     0    0.029   0.029     0.790   90.476   90.476
LGA    K    43_A      K    43_A     0.562     0    0.043   0.112     1.503   92.857   88.571
LGA    N    44_A      N    44_A     0.126     0    0.163   0.138     0.710   97.619   95.238
LGA    S    45_A      S    45_A     0.107     0    0.041   0.080     0.315  100.000  100.000
LGA    V    46_A      V    46_A     0.220     0    0.040   0.078     0.461  100.000  100.000
LGA    A    47_A      A    47_A     0.091     0    0.015   0.024     0.252  100.000  100.000
LGA    A    48_A      A    48_A     0.202     0    0.017   0.029     0.320  100.000  100.000
LGA    I    49_A      I    49_A     0.161     0    0.055   0.067     0.263  100.000  100.000
LGA    V    50_A      V    50_A     0.100     0    0.083   0.081     0.283  100.000  100.000
LGA    A    51_A      A    51_A     0.221     0    0.046   0.044     0.447  100.000  100.000
LGA    Q    52_A      Q    52_A     0.151     0    0.006   0.365     1.446  100.000   95.820
LGA    I    53_A      I    53_A     0.118     0    0.028   0.051     0.446  100.000  100.000
LGA    T    54_A      T    54_A     0.299     0    0.018   0.094     0.470  100.000  100.000
LGA    N    55_A      N    55_A     0.341     0    0.029   0.106     0.591  100.000   98.810
LGA    G    56_A      G    56_A     0.303     0    0.031   0.031     0.303  100.000  100.000
LGA    N    57_A      N    57_A     0.193     0    0.042   0.152     0.370  100.000  100.000
LGA    G    58_A      G    58_A     0.415     0    0.063   0.063     0.415  100.000  100.000
LGA    A    59_A      A    59_A     0.364     0    0.068   0.084     0.480  100.000  100.000
LGA    M    60_A      M    60_A     0.398     0    0.022   0.207     0.541  100.000   97.619
LGA    P    61_A      P    61_A     0.356     0    0.023   0.028     0.436  100.000  100.000
LGA    G    62_A      G    62_A     0.376     0    0.051   0.051     0.479  100.000  100.000
LGA    F    63_A      F    63_A     0.295     0    0.037   0.062     0.343  100.000  100.000
LGA    K    64_A      K    64_A     0.342     0    0.046   0.569     2.546  100.000   90.265
LGA    G    65_A      G    65_A     0.383     0    0.036   0.036     0.433  100.000  100.000
LGA    R    66_A      R    66_A     0.374     0    0.068   1.058     3.265   97.619   85.498
LGA    I    67_A      I    67_A     0.768     0    0.106   1.101     2.843   90.476   80.774
LGA    S    68_A      S    68_A     0.320     0    0.034   0.074     0.417  100.000  100.000
LGA    D    69_A      D    69_A     0.208     0    0.009   0.271     1.061  100.000   97.679
LGA    S    70_A      S    70_A     0.386     0    0.027   0.655     2.029   97.619   90.952
LGA    D    71_A      D    71_A     0.521     0    0.029   0.235     1.389   92.857   89.405
LGA    M    72_A      M    72_A     0.403     0    0.023   0.169     0.673  100.000   98.810
LGA    E    73_A      E    73_A     0.383     0    0.030   0.701     2.820  100.000   88.307
LGA    D    74_A      D    74_A     0.349     0    0.007   0.036     0.480  100.000  100.000
LGA    V    75_A      V    75_A     0.451     0    0.028   1.104     2.324  100.000   88.571
LGA    A    76_A      A    76_A     0.364     0    0.008   0.025     0.476  100.000  100.000
LGA    A    77_A      A    77_A     0.334     0    0.041   0.050     0.401  100.000  100.000
LGA    Y    78_A      Y    78_A     0.246     0    0.026   0.064     0.399  100.000  100.000
LGA    V    79_A      V    79_A     0.281     0    0.012   0.037     0.362  100.000  100.000
LGA    L    80_A      L    80_A     0.225     0    0.063   0.177     0.463  100.000  100.000
LGA    D    81_A      D    81_A     0.360     0    0.027   0.123     1.194   97.619   94.107
LGA    Q    82_A      Q    82_A     0.201     0    0.017   0.993     2.479  100.000   93.069
LGA    A    83_A      A    83_A     0.236     0    0.022   0.021     0.295  100.000  100.000
LGA    E    84_A      E    84_A     0.538     0    0.036   1.179     4.675   92.857   73.280
LGA    K    85_A      K    85_A     1.073     0    0.042   0.922     2.506   85.952   81.005
LGA    G    86_A      G    86_A     1.306     0    0.589   0.589     4.035   70.476   70.476
LGA    W    87_A      W    87_A     0.761     0    0.653   1.417     4.231   86.071   75.340

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     616    616  100.00                87
SUMMARY(RMSD_GDC):     2.043          2.019                  1.809           94.416   92.095

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.42    96.839    97.335    16.202

LGA_LOCAL      RMSD:   0.418  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.164  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.043  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.786749 * X  +   0.441422 * Y  +   0.431477 * Z  +   9.138002
  Y_new =   0.261045 * X  +  -0.395490 * Y  +   0.880593 * Z  +  30.261246
  Z_new =   0.559358 * X  +   0.805441 * Y  +   0.195920 * Z  +  86.271736 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.821221 -0.593611  1.332185   [DEG:  161.6440  -34.0114   76.3286 ]
ZXZ:  2.685990  1.373601  0.607008   [DEG:  153.8959   78.7015   34.7790 ]
 
# END of job
