
#######################################################
#                                                     #
#                        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        2.07     2.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       1_A - 54_A        2.00     2.10
  LCS_AVERAGE:     51.46

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48       2_A - 49_A        0.99     2.31
  LCS_AVERAGE:     43.48

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   54   90      4    6   52   75   81   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     48   54   90     25   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     48   54   90     39   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     48   54   90     13   57   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     48   54   90     11   57   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     48   54   90     26   59   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     48   54   90     39   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     48   54   90     25   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     48   54   90     39   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     48   54   90     25   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     48   54   90     25   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     48   54   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     48   54   90     26   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     48   54   90     22   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     48   54   90     17   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     48   54   90     22   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     48   54   90     14   59   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     48   54   90     10   56   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     48   54   90     19   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     48   54   90     16   30   62   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     48   54   90     16   30   60   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     48   54   90     16   31   68   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     48   54   90     16   49   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     48   54   90     16   50   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     48   54   90     16   41   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     48   54   90     16   58   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     48   54   90     17   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     48   54   90     23   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     48   54   90     22   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     48   54   90     22   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     48   54   90     35   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     48   54   90     24   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     48   54   90     22   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     48   54   90     24   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     43   54   90      5   28   67   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     18   54   90      5    9   29   46   76   82   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     17   54   90      5    7   17   38   58   79   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A      5   54   90      5    5    6   12   17   26   39   50   71   84   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A      3   54   90      3    3    4    5   18   29   63   83   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A      3   27   90      3    3   11   21   35   46   74   83   87   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    9   26   39   53   71   84   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   35   90      0    3    7   30   54   79   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   35   90      4   59   75   79   82   83   84   86   87   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   79   82   83   84   86   87   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   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   35   90      9   43   72   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   35   90     11   51   70   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   35   90     23   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   35   90     40   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   35   90     15   63   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   35   90     13   61   75   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   35   90      3   35   72   79   82   83   84   86   87   88   88   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  64.98  (  43.48   51.46  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     40     63     75     79     82     83     84     86     87     88     88     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  44.44  70.00  83.33  87.78  91.11  92.22  93.33  95.56  96.67  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    0.33   0.60   0.80   0.89   0.99   1.05   1.16   1.42   1.55   1.70   1.70   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07
GDT RMS_ALL_AT   2.42   2.29   2.30   2.26   2.25   2.25   2.21   2.14   2.12   2.10   2.10   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07   2.07

# Checking swapping
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_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     3.215     0    0.549   1.284     8.071   50.238   39.940
LGA    L     2_A      L     2_A     0.576     0    0.110   0.427     1.729   90.595   86.190
LGA    F     3_A      F     3_A     0.838     0    0.111   0.213     2.467   88.214   76.277
LGA    E     4_A      E     4_A     1.160     0    0.198   0.688     2.290   77.143   75.820
LGA    G     5_A      G     5_A     2.179     0    0.067   0.067     2.179   66.786   66.786
LGA    D     6_A      D     6_A     2.171     0    0.219   0.400     3.764   70.952   60.536
LGA    K     7_A      K     7_A     1.647     0    0.093   1.061     3.536   79.405   72.540
LGA    F     8_A      F     8_A     1.020     0    0.048   0.085     1.367   83.690   85.541
LGA    V     9_A      V     9_A     0.693     0    0.145   1.247     3.427   90.476   82.177
LGA    G    10_A      G    10_A     0.611     0    0.027   0.027     0.798   90.476   90.476
LGA    S    11_A      S    11_A     0.933     0    0.068   0.063     1.254   92.857   89.048
LGA    F    12_A      F    12_A     0.764     0    0.034   0.056     1.063   90.476   89.654
LGA    E    13_A      E    13_A     1.171     0    0.054   0.894     2.790   81.429   74.921
LGA    N    14_A      N    14_A     0.996     0    0.077   1.088     4.414   88.214   71.488
LGA    A    15_A      A    15_A     0.186     0    0.087   0.086     0.514   97.619   98.095
LGA    A    16_A      A    16_A     0.364     0    0.054   0.054     0.769   97.619   96.190
LGA    A    17_A      A    17_A     0.655     0    0.095   0.092     0.984   92.857   92.381
LGA    G    18_A      G    18_A     0.650     0    0.038   0.038     0.655   90.476   90.476
LGA    T    19_A      T    19_A     0.611     0    0.028   0.102     0.767   90.476   90.476
LGA    F    20_A      F    20_A     0.627     0    0.046   0.213     0.971   90.476   90.476
LGA    V    21_A      V    21_A     0.733     0    0.047   0.061     0.806   90.476   90.476
LGA    L    22_A      L    22_A     0.490     0    0.077   0.109     0.924   97.619   95.238
LGA    D    23_A      D    23_A     0.677     0    0.027   0.054     0.895   90.476   90.476
LGA    M    24_A      M    24_A     0.502     0    0.072   0.138     0.683   95.238   96.429
LGA    Y    25_A      Y    25_A     0.431     0    0.039   0.179     0.813   95.238   97.619
LGA    A    26_A      A    26_A     0.719     0    0.021   0.032     0.776   90.476   90.476
LGA    Y    27_A      Y    27_A     0.371     0    0.032   0.282     1.125   95.238   92.143
LGA    E    28_A      E    28_A     0.758     0    0.035   0.148     2.168   90.476   79.947
LGA    R    29_A      R    29_A     1.047     0    0.021   1.889     9.059   83.690   51.905
LGA    L    30_A      L    30_A     0.989     0    0.055   0.206     1.645   88.214   87.143
LGA    A    31_A      A    31_A     0.727     0    0.071   0.068     0.793   90.476   90.476
LGA    N    32_A      N    32_A     1.300     0    0.165   1.181     3.575   75.119   68.512
LGA    S    33_A      S    33_A     1.496     0    0.194   0.231     2.069   77.262   75.794
LGA    I    34_A      I    34_A     0.719     0    0.643   0.578     2.385   84.048   86.190
LGA    S    35_A      S    35_A     2.309     0    0.054   0.138     2.459   66.786   66.111
LGA    T    36_A      T    36_A     2.234     0    0.042   1.053     3.600   66.786   65.238
LGA    E    37_A      E    37_A     2.093     0    0.020   1.328     6.169   68.810   49.630
LGA    K    38_A      K    38_A     1.439     0    0.052   0.702     5.395   81.548   64.974
LGA    L    39_A      L    39_A     1.290     0    0.039   0.183     1.724   81.429   79.286
LGA    R    40_A      R    40_A     1.475     0    0.035   1.084     5.524   81.429   62.078
LGA    Q    41_A      Q    41_A     1.221     0    0.033   1.172     5.176   81.429   69.894
LGA    Y    42_A      Y    42_A     0.826     0    0.037   0.358     1.382   90.476   90.556
LGA    A    43_A      A    43_A     0.771     0    0.033   0.041     0.824   90.476   90.476
LGA    S    44_A      S    44_A     0.700     0    0.085   0.598     1.727   90.476   87.540
LGA    T    45_A      T    45_A     0.746     0    0.095   1.164     2.450   90.476   84.286
LGA    Y    46_A      Y    46_A     0.585     0    0.016   0.124     1.035   90.476   88.968
LGA    N    47_A      N    47_A     0.681     0    0.057   0.747     2.553   90.476   82.976
LGA    K    48_A      K    48_A     0.669     0    0.058   0.468     1.672   90.476   87.513
LGA    Y    49_A      Y    49_A     0.621     0    0.083   0.354     1.567   85.952   86.032
LGA    K    50_A      K    50_A     1.706     0    0.060   0.948     3.904   65.952   65.132
LGA    Y    51_A      Y    51_A     4.240     0    0.248   0.342     6.016   33.929   35.278
LGA    Y    52_A      Y    52_A     4.777     0    0.039   0.170     7.043   23.929   24.484
LGA    S    53_A      S    53_A     8.682     0    0.464   0.444    11.681    5.714    3.810
LGA    G    54_A      G    54_A     6.160     0    0.294   0.294     6.442   17.143   17.143
LGA    S    55_A      S    55_A     6.994     0    0.100   0.124     8.468    9.643    9.286
LGA    A    56_A      A    56_A     8.810     0    0.735   0.666     9.824    5.476    4.476
LGA    S    57_A      S    57_A     5.886     0    0.582   0.633     8.032   29.643   22.778
LGA    E    58_A      E    58_A     1.652     0    0.588   1.197    10.612   77.143   40.741
LGA    A    59_A      A    59_A     1.308     0    0.110   0.109     1.635   81.548   79.810
LGA    D    60_A      D    60_A     0.985     0    0.275   0.974     2.834   90.595   77.798
LGA    Y    61_A      Y    61_A     1.604     0    0.043   0.210     1.913   77.143   74.286
LGA    R    62_A      R    62_A     1.758     0    0.059   1.108     9.187   75.000   47.100
LGA    L    63_A      L    63_A     0.884     0    0.023   1.112     2.906   88.214   81.964
LGA    A    64_A      A    64_A     0.520     0    0.064   0.076     0.664   90.476   90.476
LGA    C    65_A      C    65_A     0.598     0    0.071   0.093     0.708   90.476   90.476
LGA    F    66_A      F    66_A     0.811     0    0.051   0.421     2.471   90.476   82.554
LGA    A    67_A      A    67_A     0.714     0    0.028   0.037     0.743   90.476   90.476
LGA    H    68_A      H    68_A     0.651     0    0.013   0.836     4.211   90.476   70.667
LGA    L    69_A      L    69_A     0.657     0    0.050   1.061     2.294   90.476   84.048
LGA    A    70_A      A    70_A     0.813     0    0.051   0.051     0.837   90.476   90.476
LGA    K    71_A      K    71_A     0.476     0    0.023   0.883     1.950   97.619   90.847
LGA    A    72_A      A    72_A     0.440     0    0.045   0.046     0.495  100.000  100.000
LGA    M    73_A      M    73_A     0.642     0    0.030   0.117     0.682   90.476   94.048
LGA    M    74_A      M    74_A     0.699     0    0.029   0.772     2.831   90.476   84.048
LGA    D    75_A      D    75_A     0.487     0    0.053   0.330     1.422   92.857   92.917
LGA    Y    76_A      Y    76_A     0.495     0    0.028   0.183     0.877   95.238   94.444
LGA    A    77_A      A    77_A     0.543     0    0.116   0.116     0.828   90.476   92.381
LGA    S    78_A      S    78_A     0.830     0    0.126   0.693     2.285   90.476   86.190
LGA    N    79_A      N    79_A     0.640     0    0.665   0.993     4.011   78.095   70.536
LGA    H    80_A      H    80_A     0.501     0    0.113   0.553     3.701   92.857   77.429
LGA    N    81_A      N    81_A     0.172     0    0.065   1.039     2.274   97.619   90.000
LGA    D    82_A      D    82_A     0.457     0    0.090   0.249     0.928   95.238   95.238
LGA    T    83_A      T    83_A     0.551     0    0.026   1.019     2.313   90.476   84.286
LGA    L    84_A      L    84_A     0.837     0    0.073   1.134     4.227   90.476   79.345
LGA    Y    85_A      Y    85_A     0.653     0    0.024   0.064     0.722   90.476   96.032
LGA    T    86_A      T    86_A     0.772     0    0.047   0.094     1.041   90.476   89.184
LGA    P    87_A      P    87_A     0.512     0    0.053   0.221     0.995   90.476   93.197
LGA    P    88_A      P    88_A     1.211     0    0.100   0.235     1.497   83.690   84.014
LGA    T    89_A      T    89_A     0.984     0    0.108   1.148     3.035   88.214   78.639
LGA    V    90_A      V    90_A     1.832     0    0.066   0.619     3.632   79.405   71.224

# 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):     2.074          2.070                  2.505           81.351   76.612

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     86    1.42    88.333    81.373     5.653

LGA_LOCAL      RMSD:   1.421  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.144  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   2.074  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.640504 * X  +   0.702380 * Y  +  -0.310510 * Z  + -15.327030
  Y_new =   0.748896 * X  +  -0.481752 * Y  +   0.455049 * Z  +  44.143215
  Z_new =   0.170029 * X  +  -0.524001 * Y  +  -0.834574 * Z  +  18.150568 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.863254 -0.170859 -2.580935   [DEG:   49.4608   -9.7895 -147.8767 ]
ZXZ: -2.542799  2.558155  2.827830   [DEG: -145.6917  146.5715  162.0227 ]
 
# END of job
