
#######################################################
#                                                     #
#                        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  107 (  868),  selected   90 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   90 , 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:    90       1_A - 90_A        2.11     2.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53       1_A - 53_A        1.88     2.17
  LONGEST_CONTINUOUS_SEGMENT:    53       2_A - 54_A        1.99     2.14
  LCS_AVERAGE:     50.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48       2_A - 49_A        0.99     2.35
  LCS_AVERAGE:     43.40

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     1_A     M     1_A     34   53   90      3    8   49   67   79   81   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     48   53   90     35   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     48   53   90     34   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     48   53   90      9   54   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     48   53   90      9   54   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     48   53   90     31   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     48   53   90     27   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     48   53   90     26   61   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     48   53   90     26   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     48   53   90     34   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     48   53   90     24   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     48   53   90     14   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     48   53   90     31   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     48   53   90     22   62   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     48   53   90     12   61   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     48   53   90     17   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     48   53   90      4   27   55   79   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     48   53   90     16   27   55   79   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     48   53   90     16   28   67   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     48   53   90     16   59   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     48   53   90     16   52   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     48   53   90     16   46   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     48   53   90     16   60   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     48   53   90     22   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     48   53   90     24   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     48   53   90     21   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     48   53   90     25   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     48   53   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     48   53   90     35   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     48   53   90     25   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     48   53   90     25   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     44   53   90      5   25   71   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     19   53   90      5   10   30   57   79   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A      8   53   90      5    6   16   30   47   78   83   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A      5   53   90      5    5    6   12   15   24   36   45   61   83   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A      3   53   90      3    3    4    5   16   32   63   82   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A      3   26   90      3    3   11   21   34   43   64   82   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      3   35   90      3    3    4    5   13   24   39   43   64   83   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   35   90      0    3    6   28   53   77   82   84   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   35   90     22   61   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   35   90      4    4   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   35   90     19   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   35   90      9   43   73   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   35   90     14   49   73   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   35   90     31   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   35   90     19   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   35   90     37   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   35   90     28   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   35   90     31   63   75   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   35   90     12   48   73   80   82   83   84   85   86   88   88   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  64.72  (  43.40   50.78  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     37     63     75     80     82     83     84     85     86     88     88     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  41.11  70.00  83.33  88.89  91.11  92.22  93.33  94.44  95.56  97.78  97.78 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.56   0.77   0.89   0.96   1.06   1.12   1.26   1.43   1.72   1.72   2.11   2.11   2.11   2.11   2.11   2.11   2.11   2.11   2.11
GDT RMS_ALL_AT   2.45   2.33   2.34   2.30   2.30   2.27   2.26   2.23   2.18   2.13   2.13   2.11   2.11   2.11   2.11   2.11   2.11   2.11   2.11   2.11

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    76_A      Y    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     3.504     0    0.618   0.938    10.632   47.500   33.869
LGA    L     2_A      L     2_A     0.374     0    0.320   1.264     3.194   93.214   84.643
LGA    F     3_A      F     3_A     0.775     0    0.136   0.208     1.917   90.476   82.381
LGA    E     4_A      E     4_A     1.247     0    0.228   0.393     2.402   77.143   74.868
LGA    G     5_A      G     5_A     2.187     0    0.047   0.047     2.187   68.810   68.810
LGA    D     6_A      D     6_A     2.138     0    0.207   0.920     4.667   70.952   56.607
LGA    K     7_A      K     7_A     1.417     0    0.097   0.229     3.106   81.548   70.688
LGA    F     8_A      F     8_A     0.767     0    0.108   0.089     1.065   88.214   88.009
LGA    V     9_A      V     9_A     0.663     0    0.052   1.354     2.951   90.476   80.952
LGA    G    10_A      G    10_A     0.645     0    0.064   0.064     0.914   90.476   90.476
LGA    S    11_A      S    11_A     1.059     0    0.065   0.061     1.425   90.595   87.540
LGA    F    12_A      F    12_A     0.872     0    0.034   0.067     1.263   88.214   88.874
LGA    E    13_A      E    13_A     1.203     0    0.057   0.886     2.900   81.429   74.921
LGA    N    14_A      N    14_A     1.037     0    0.076   0.204     1.116   85.952   87.083
LGA    A    15_A      A    15_A     0.211     0    0.087   0.085     0.517   97.619   98.095
LGA    A    16_A      A    16_A     0.278     0    0.046   0.044     0.596  100.000   98.095
LGA    A    17_A      A    17_A     0.451     0    0.120   0.115     0.776   97.619   96.190
LGA    G    18_A      G    18_A     0.459     0    0.031   0.031     0.475  100.000  100.000
LGA    T    19_A      T    19_A     0.447     0    0.022   0.080     0.507   97.619   97.279
LGA    F    20_A      F    20_A     0.480     0    0.034   0.181     0.717   95.238   95.671
LGA    V    21_A      V    21_A     0.732     0    0.045   1.064     3.086   90.476   82.177
LGA    L    22_A      L    22_A     0.590     0    0.096   0.939     3.481   92.857   82.202
LGA    D    23_A      D    23_A     0.686     0    0.030   0.048     0.895   90.476   90.476
LGA    M    24_A      M    24_A     0.509     0    0.055   0.682     2.337   95.238   84.405
LGA    Y    25_A      Y    25_A     0.332     0    0.039   0.140     0.712   95.238   98.413
LGA    A    26_A      A    26_A     0.681     0    0.020   0.034     0.761   90.476   90.476
LGA    Y    27_A      Y    27_A     0.353     0    0.036   0.240     0.953   97.619   94.444
LGA    E    28_A      E    28_A     0.560     0    0.035   0.564     2.334   92.857   86.667
LGA    R    29_A      R    29_A     0.809     0    0.019   1.534     4.975   88.214   71.775
LGA    L    30_A      L    30_A     0.941     0    0.053   0.173     1.687   88.214   84.881
LGA    A    31_A      A    31_A     0.663     0    0.061   0.059     0.695   90.476   90.476
LGA    N    32_A      N    32_A     1.029     0    0.149   0.927     2.685   81.548   80.714
LGA    S    33_A      S    33_A     1.322     0    0.198   0.717     3.473   77.262   73.413
LGA    I    34_A      I    34_A     0.669     0    0.648   1.114     5.084   84.048   71.964
LGA    S    35_A      S    35_A     2.455     0    0.044   0.107     2.738   66.786   63.571
LGA    T    36_A      T    36_A     2.366     0    0.043   1.103     3.411   64.762   62.721
LGA    E    37_A      E    37_A     2.258     0    0.025   0.869     5.229   68.810   52.487
LGA    K    38_A      K    38_A     1.408     0    0.036   1.014     5.944   81.548   62.275
LGA    L    39_A      L    39_A     1.248     0    0.043   0.186     1.839   81.429   79.286
LGA    R    40_A      R    40_A     1.515     0    0.054   1.131     3.183   79.286   74.935
LGA    Q    41_A      Q    41_A     1.256     0    0.032   1.345     6.387   83.690   62.646
LGA    Y    42_A      Y    42_A     0.713     0    0.036   0.337     1.178   92.857   89.762
LGA    A    43_A      A    43_A     0.727     0    0.040   0.043     0.778   90.476   90.476
LGA    S    44_A      S    44_A     0.716     0    0.072   0.656     2.922   90.476   84.921
LGA    T    45_A      T    45_A     0.415     0    0.061   0.136     0.538  100.000   95.918
LGA    Y    46_A      Y    46_A     0.377     0    0.013   0.203     0.763  100.000   97.619
LGA    N    47_A      N    47_A     0.365     0    0.066   0.466     2.251  100.000   92.083
LGA    K    48_A      K    48_A     0.508     0    0.049   0.842     2.606   92.857   85.132
LGA    Y    49_A      Y    49_A     0.631     0    0.048   0.246     1.301   85.952   90.556
LGA    K    50_A      K    50_A     1.625     0    0.073   0.414     3.386   65.357   76.402
LGA    Y    51_A      Y    51_A     3.918     0    0.263   0.263     5.961   38.333   47.579
LGA    Y    52_A      Y    52_A     5.359     0    0.129   1.165     7.476   21.667   34.921
LGA    S    53_A      S    53_A     9.093     0    0.415   0.462    12.087    3.690    2.460
LGA    G    54_A      G    54_A     6.477     0    0.312   0.312     6.781   14.286   14.286
LGA    S    55_A      S    55_A     7.460     0    0.114   0.680     9.043    6.071    5.476
LGA    A    56_A      A    56_A     9.400     0    0.728   0.660    10.461    3.452    2.762
LGA    S    57_A      S    57_A     6.500     0    0.598   0.645     8.841   24.762   18.175
LGA    E    58_A      E    58_A     1.339     0    0.593   1.409     9.875   77.262   41.481
LGA    A    59_A      A    59_A     1.349     0    0.106   0.106     1.663   81.548   79.810
LGA    D    60_A      D    60_A     0.988     0    0.273   0.859     2.741   90.595   81.905
LGA    Y    61_A      Y    61_A     1.597     0    0.037   0.099     1.974   77.143   74.286
LGA    R    62_A      R    62_A     1.627     0    0.055   1.622     6.890   77.143   59.957
LGA    L    63_A      L    63_A     0.694     0    0.022   1.109     2.627   90.476   83.333
LGA    A    64_A      A    64_A     0.443     0    0.068   0.083     0.575   95.238   94.286
LGA    C    65_A      C    65_A     0.545     0    0.065   0.095     0.760   92.857   92.063
LGA    F    66_A      F    66_A     0.668     0    0.058   0.396     1.490   90.476   88.831
LGA    A    67_A      A    67_A     0.575     0    0.026   0.038     0.594   90.476   92.381
LGA    H    68_A      H    68_A     0.553     0    0.017   0.793     3.757   90.476   75.190
LGA    L    69_A      L    69_A     0.620     0    0.043   1.134     2.526   90.476   83.095
LGA    A    70_A      A    70_A     0.717     0    0.048   0.049     0.740   90.476   90.476
LGA    K    71_A      K    71_A     0.406     0    0.032   0.731     2.311   97.619   92.910
LGA    A    72_A      A    72_A     0.362     0    0.060   0.058     0.416  100.000  100.000
LGA    M    73_A      M    73_A     0.594     0    0.031   0.632     1.731   90.476   87.143
LGA    M    74_A      M    74_A     0.619     0    0.031   0.734     1.774   90.476   84.940
LGA    D    75_A      D    75_A     0.332     0    0.058   0.119     0.645  100.000   97.619
LGA    Y    76_A      Y    76_A     0.492     0    0.062   0.181     0.608   97.619   95.238
LGA    A    77_A      A    77_A     0.175     0    0.127   0.127     0.925   97.619   98.095
LGA    S    78_A      S    78_A     0.535     0    0.113   0.113     0.625   92.857   92.063
LGA    N    79_A      N    79_A     0.926     0    0.602   0.587     3.266   78.095   78.690
LGA    H    80_A      H    80_A     0.462     0    0.149   0.887     5.323   95.238   69.667
LGA    N    81_A      N    81_A     0.543     0    0.109   1.209     4.307   95.238   81.786
LGA    D    82_A      D    82_A     0.410     0    0.060   1.085     4.471  100.000   78.512
LGA    T    83_A      T    83_A     0.535     0    0.026   0.076     0.653   90.476   90.476
LGA    L    84_A      L    84_A     0.693     0    0.069   0.112     1.438   90.476   87.083
LGA    Y    85_A      Y    85_A     0.484     0    0.041   0.096     0.612   92.857   96.825
LGA    T    86_A      T    86_A     0.651     0    0.032   1.135     3.052   95.238   84.898
LGA    P    87_A      P    87_A     0.410     0    0.046   0.246     0.937   95.238   93.197
LGA    P    88_A      P    88_A     1.023     0    0.104   0.285     1.564   88.214   85.374
LGA    T    89_A      T    89_A     0.592     0    0.118   0.284     1.825   90.476   86.667
LGA    V    90_A      V    90_A     1.623     0    0.047   0.226     3.279   83.810   72.449

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     715    715  100.00                90
SUMMARY(RMSD_GDC):     2.112          2.102                  2.417           82.681   77.941

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     85    1.26    88.333    81.169     6.234

LGA_LOCAL      RMSD:   1.264  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.228  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   2.112  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.750154 * X  +   0.608591 * Y  +   0.258623 * Z  + -15.545002
  Y_new =   0.473966 * X  +  -0.767577 * Y  +   0.431488 * Z  +  41.938480
  Z_new =   0.461112 * X  +  -0.201104 * Y  +  -0.864253 * Z  +  17.747744 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.563492 -0.479248 -2.912970   [DEG:   32.2857  -27.4589 -166.9009 ]
ZXZ:  2.601633  2.614459  1.982055   [DEG:  149.0626  149.7975  113.5634 ]
 
# END of job
