
#######################################################
#                                                     #
#                        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   92 (  680),  selected   92 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   92 , 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:    92       1_A - 92_A        4.10     4.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       8_A - 86_A        1.87     4.35
  LCS_AVERAGE:     75.40

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      49_A - 78_A        0.98     4.36
  LCS_AVERAGE:     21.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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      3    4   92      0    3    3    4    4    4    4    5    8    8    8    8   15   16   17   18   20   20   21   24 
LCS_GDT     H     2_A     H     2_A      3    4   92      3    3    3    4    4    4    5    8   10   12   14   15   26   79   82   84   86   88   90   91 
LCS_GDT     M     3_A     M     3_A      3    6   92      3    3    3    4    5    7    8   76   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     S     4_A     S     4_A      4    6   92      4   14   20   38   53   69   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G     5_A     G     5_A      4    6   92      4    4    4    5    6    7   34   67   75   79   80   82   82   84   86   87   88   89   90   91 
LCS_GDT     D     6_A     D     6_A      4    6   92      4    4    4    5    6    7    8   11   36   43   61   66   81   83   84   85   87   89   90   91 
LCS_GDT     N     7_A     N     7_A      4    6   92      4    4    4    5    6    7    9   11   26   32   36   38   78   83   84   85   88   89   90   91 
LCS_GDT     G     8_A     G     8_A      4   79   92      3    4    4   29   50   68   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G     9_A     G     9_A      3   79   92      3    6   51   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G    10_A     G    10_A     12   79   92      3    7   21   40   64   70   73   76   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     E    11_A     E    11_A     24   79   92     11   35   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     R    12_A     R    12_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     R    13_A     R    13_A     24   79   92      9   38   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     K    14_A     K    14_A     24   79   92     10   43   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G    15_A     G    15_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     S    16_A     S    16_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     V    17_A     V    17_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     K    18_A     K    18_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     W    19_A     W    19_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     F    20_A     F    20_A     24   79   92     21   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     D    21_A     D    21_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     T    22_A     T    22_A     24   79   92     15   41   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     Q    23_A     Q    23_A     24   79   92     11   41   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     K    24_A     K    24_A     24   79   92      5   21   48   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G    25_A     G    25_A     24   79   92      6   16   47   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     F    26_A     F    26_A     24   79   92      6   27   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G    27_A     G    27_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     F    28_A     F    28_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     I    29_A     I    29_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     T    30_A     T    30_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     P    31_A     P    31_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     D    32_A     D    32_A     24   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     D    33_A     D    33_A     24   79   92     12   41   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G    34_A     G    34_A     24   79   92      3    3   46   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G    35_A     G    35_A     16   79   92      4    9   18   45   65   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     D    36_A     D    36_A     16   79   92      4   34   53   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     D    37_A     D    37_A     16   79   92     17   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     L    38_A     L    38_A     16   79   92     18   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     F    39_A     F    39_A     16   79   92     19   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     V    40_A     V    40_A     16   79   92     10   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     H    41_A     H    41_A     16   79   92      4   16   50   60   69   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     Q    42_A     Q    42_A     16   79   92     13   39   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     S    43_A     S    43_A     12   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     S    44_A     S    44_A     12   79   92     16   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     I    45_A     I    45_A     12   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     R    46_A     R    46_A     12   79   92      3   42   55   63   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     S    47_A     S    47_A      8   79   92      3   14   46   62   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     E    48_A     E    48_A      6   79   92      3    9   18   39   56   71   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G    49_A     G    49_A     30   79   92      5   34   55   62   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     F    50_A     F    50_A     30   79   92      3   27   55   63   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     R    51_A     R    51_A     30   79   92     17   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     S    52_A     S    52_A     30   79   92     17   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     L    53_A     L    53_A     30   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     A    54_A     A    54_A     30   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     A    55_A     A    55_A     30   79   92     15   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     E    56_A     E    56_A     30   79   92     14   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     E    57_A     E    57_A     30   79   92     21   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     A    58_A     A    58_A     30   79   92     19   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     V    59_A     V    59_A     30   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     E    60_A     E    60_A     30   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     F    61_A     F    61_A     30   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     E    62_A     E    62_A     30   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     V    63_A     V    63_A     30   79   92     20   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     E    64_A     E    64_A     30   79   92     15   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     I    65_A     I    65_A     30   79   92      5   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     D    66_A     D    66_A     30   79   92     21   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     N    67_A     N    67_A     30   79   92     17   41   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     N    68_A     N    68_A     30   79   92      3   41   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     N    69_A     N    69_A     30   79   92      3   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     R    70_A     R    70_A     30   79   92     14   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     P    71_A     P    71_A     30   79   92     22   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     K    72_A     K    72_A     30   79   92     20   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     A    73_A     A    73_A     30   79   92     20   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     I    74_A     I    74_A     30   79   92      7   40   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     D    75_A     D    75_A     30   79   92     20   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     V    76_A     V    76_A     30   79   92     20   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     S    77_A     S    77_A     30   79   92     17   45   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G    78_A     G    78_A     30   79   92      3    5   19   39   60   70   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     P    79_A     P    79_A     11   79   92      3    5   18   28   54   68   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     D    80_A     D    80_A      3   79   92      3    3   45   60   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G    81_A     G    81_A      3   79   92      3    3    4   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     A    82_A     A    82_A      5   79   92      7   15   46   59   67   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     P    83_A     P    83_A      5   79   92      4    5   47   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     V    84_A     V    84_A      5   79   92      7   41   56   64   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     Q    85_A     Q    85_A      5   79   92      4    5   40   62   70   72   73   77   79   80   81   82   83   84   86   87   88   89   90   91 
LCS_GDT     G    86_A     G    86_A      5   79   92      4    5    5    6    9   18   48   72   77   79   81   82   82   84   86   87   88   89   90   91 
LCS_GDT     N    87_A     N    87_A      5   77   92      3    4    5    5    6    6    7    8   26   43   51   66   79   82   86   87   88   89   90   91 
LCS_GDT     S    88_A     S    88_A      5    6   92      3    4    5    5    6    8   19   42   63   69   74   79   83   84   86   87   88   89   90   91 
LCS_GDT     G    89_A     G    89_A      5    6   92      3    4    5    8   11   26   27   44   58   69   75   80   83   84   86   87   88   89   90   91 
LCS_GDT     G    90_A     G    90_A      5    6   92      3    4    5    8   11   14   18   20   36   48   52   67   73   75   83   84   87   89   90   91 
LCS_GDT     G    91_A     G    91_A      3    4   92      3    5    7   10   24   26   34   60   66   70   76   80   83   84   86   87   88   89   90   91 
LCS_GDT     S    92_A     S    92_A      3    4   92      0    3    3   14   18   22   33   47   66   70   76   77   81   84   86   87   88   89   90   91 
LCS_AVERAGE  LCS_A:  65.47  (  21.01   75.40  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     22     45     56     64     70     72     73     77     79     80     81     82     83     84     86     87     88     89     90     91 
GDT PERCENT_AT  23.91  48.91  60.87  69.57  76.09  78.26  79.35  83.70  85.87  86.96  88.04  89.13  90.22  91.30  93.48  94.57  95.65  96.74  97.83  98.91
GDT RMS_LOCAL    0.35   0.60   0.83   1.10   1.28   1.34   1.41   1.74   1.82   1.91   1.99   2.20   2.63   2.68   2.96   3.08   3.25   3.40   3.57   3.76
GDT RMS_ALL_AT   4.35   4.37   4.41   4.47   4.34   4.37   4.38   4.30   4.35   4.32   4.31   4.28   4.16   4.17   4.16   4.14   4.12   4.12   4.11   4.11

# Checking swapping
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    50_A      F    50_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.768     0    0.190   0.190    17.663    0.000    0.000
LGA    H     2_A      H     2_A    10.392     0    0.414   0.388    12.429    3.571    1.429
LGA    M     3_A      M     3_A     4.517     0    0.624   1.012     6.523   47.738   38.393
LGA    S     4_A      S     4_A     4.969     0    0.363   0.314     9.138   20.000   19.921
LGA    G     5_A      G     5_A     8.721     0    0.051   0.051    11.987    4.048    4.048
LGA    D     6_A      D     6_A    10.987     0    0.204   0.851    11.566    0.119    0.060
LGA    N     7_A      N     7_A    10.633     0    0.236   1.145    12.649    2.976    1.488
LGA    G     8_A      G     8_A     5.014     0    0.444   0.444     6.736   23.452   23.452
LGA    G     9_A      G     9_A     2.565     0    0.426   0.426     3.496   57.262   57.262
LGA    G    10_A      G    10_A     4.630     0    0.605   0.605     5.931   33.333   33.333
LGA    E    11_A      E    11_A     1.829     0    0.117   1.238     3.346   79.643   69.841
LGA    R    12_A      R    12_A     0.358     0    0.017   1.266     5.246   83.929   70.087
LGA    R    13_A      R    13_A     1.549     0    0.057   1.245     4.507   81.548   68.658
LGA    K    14_A      K    14_A     1.268     0    0.039   0.722     1.973   81.548   78.624
LGA    G    15_A      G    15_A     0.426     0    0.112   0.112     0.830   95.238   95.238
LGA    S    16_A      S    16_A     0.200     0    0.022   0.613     1.855  100.000   93.889
LGA    V    17_A      V    17_A     0.284     0    0.116   0.180     0.965   97.619   98.639
LGA    K    18_A      K    18_A     0.325     0    0.053   0.970     2.459  100.000   90.053
LGA    W    19_A      W    19_A     0.472     0    0.071   0.653     3.140   97.619   81.565
LGA    F    20_A      F    20_A     0.834     0    0.111   0.151     1.692   90.476   83.983
LGA    D    21_A      D    21_A     0.649     0    0.036   0.474     3.285   92.857   83.274
LGA    T    22_A      T    22_A     0.819     0    0.030   1.183     3.468   90.595   78.707
LGA    Q    23_A      Q    23_A     1.295     0    0.035   1.381     4.786   77.381   65.661
LGA    K    24_A      K    24_A     2.763     0    0.117   0.797     3.770   57.262   53.333
LGA    G    25_A      G    25_A     2.451     0    0.056   0.056     2.558   62.857   62.857
LGA    F    26_A      F    26_A     1.648     0    0.029   0.273     2.347   79.405   71.558
LGA    G    27_A      G    27_A     0.380     0    0.114   0.114     0.655   97.619   97.619
LGA    F    28_A      F    28_A     0.323     0    0.022   0.217     0.505  100.000   99.134
LGA    I    29_A      I    29_A     0.163     0    0.055   0.119     0.349  100.000  100.000
LGA    T    30_A      T    30_A     0.160     0    0.030   0.116     0.264  100.000  100.000
LGA    P    31_A      P    31_A     0.346     0    0.033   0.263     0.690  100.000   97.279
LGA    D    32_A      D    32_A     0.311     0    0.095   0.979     3.683   95.238   79.881
LGA    D    33_A      D    33_A     0.967     0    0.273   0.620     3.155   75.952   74.583
LGA    G    34_A      G    34_A     2.484     0    0.630   0.630     2.484   66.786   66.786
LGA    G    35_A      G    35_A     3.851     0    0.413   0.413     3.851   50.119   50.119
LGA    D    36_A      D    36_A     2.225     0    0.132   0.613     4.418   71.190   60.774
LGA    D    37_A      D    37_A     0.641     0    0.070   0.606     2.490   85.952   83.869
LGA    L    38_A      L    38_A     0.718     0    0.040   1.258     2.703   90.476   81.964
LGA    F    39_A      F    39_A     0.956     0    0.016   0.420     2.334   88.214   81.732
LGA    V    40_A      V    40_A     1.111     0    0.043   0.133     1.686   79.405   84.150
LGA    H    41_A      H    41_A     2.713     0    0.099   0.324     6.464   69.048   44.238
LGA    Q    42_A      Q    42_A     1.701     0    0.043   0.896     4.613   77.381   64.444
LGA    S    43_A      S    43_A     0.578     0    0.081   0.626     3.136   88.214   80.714
LGA    S    44_A      S    44_A     0.952     0    0.065   0.641     1.928   88.214   84.524
LGA    I    45_A      I    45_A     0.382     0    0.047   0.660     1.603   92.976   88.393
LGA    R    46_A      R    46_A     1.569     0    0.116   0.940     7.447   72.976   47.532
LGA    S    47_A      S    47_A     2.622     0    0.040   0.676     3.547   55.833   56.270
LGA    E    48_A      E    48_A     4.332     0    0.543   1.208     9.820   36.310   20.423
LGA    G    49_A      G    49_A     2.118     0    0.461   0.461     2.577   62.857   62.857
LGA    F    50_A      F    50_A     1.825     0    0.338   1.172     4.685   68.929   64.242
LGA    R    51_A      R    51_A     1.210     0    0.204   0.817     2.345   81.548   77.792
LGA    S    52_A      S    52_A     1.107     0    0.080   0.098     1.396   85.952   84.444
LGA    L    53_A      L    53_A     0.220     0    0.072   0.225     0.981   95.238   94.048
LGA    A    54_A      A    54_A     0.267     0    0.031   0.060     0.546  100.000   98.095
LGA    A    55_A      A    55_A     0.712     0    0.627   0.610     3.634   78.810   81.143
LGA    E    56_A      E    56_A     0.885     0    0.122   0.761     2.160   88.214   85.608
LGA    E    57_A      E    57_A     0.565     0    0.043   1.238     5.026   90.476   76.190
LGA    A    58_A      A    58_A     0.730     0    0.088   0.152     0.936   90.476   90.476
LGA    V    59_A      V    59_A     0.691     0    0.038   0.185     1.016   90.476   89.184
LGA    E    60_A      E    60_A     0.664     0    0.044   0.308     1.864   90.476   86.508
LGA    F    61_A      F    61_A     0.395     0    0.072   0.105     0.466  100.000  100.000
LGA    E    62_A      E    62_A     0.441     0    0.043   0.704     3.043  100.000   83.492
LGA    V    63_A      V    63_A     0.750     0    0.031   1.236     2.385   90.476   81.837
LGA    E    64_A      E    64_A     0.981     0    0.110   0.649     2.353   85.952   76.032
LGA    I    65_A      I    65_A     1.297     0    0.049   0.618     2.171   81.429   78.333
LGA    D    66_A      D    66_A     0.835     0    0.071   0.608     2.897   88.214   78.631
LGA    N    67_A      N    67_A     0.711     0    0.668   1.019     2.853   84.524   78.869
LGA    N    68_A      N    68_A     1.418     0    0.065   1.439     4.451   81.548   69.762
LGA    N    69_A      N    69_A     1.127     0    0.154   0.184     1.509   83.690   81.488
LGA    R    70_A      R    70_A     1.103     0    0.117   1.153     5.032   77.262   59.827
LGA    P    71_A      P    71_A     0.651     0    0.026   0.082     0.907   90.476   94.558
LGA    K    72_A      K    72_A     0.826     0    0.017   0.125     0.882   90.476   90.476
LGA    A    73_A      A    73_A     0.899     0    0.040   0.042     1.946   83.810   83.333
LGA    I    74_A      I    74_A     1.550     0    0.069   1.375     3.670   81.548   69.643
LGA    D    75_A      D    75_A     0.860     0    0.061   0.392     1.164   88.214   88.214
LGA    V    76_A      V    76_A     0.917     0    0.021   0.064     1.126   88.214   85.306
LGA    S    77_A      S    77_A     1.180     0    0.110   0.165     1.939   79.405   81.587
LGA    G    78_A      G    78_A     3.819     0    0.542   0.542     5.031   42.500   42.500
LGA    P    79_A      P    79_A     4.198     0    0.651   0.727     5.628   34.762   31.156
LGA    D    80_A      D    80_A     2.244     0    0.620   0.968     5.908   63.095   50.655
LGA    G    81_A      G    81_A     2.267     0    0.124   0.124     2.308   73.214   73.214
LGA    A    82_A      A    82_A     2.990     0    0.624   0.590     5.810   59.524   51.905
LGA    P    83_A      P    83_A     2.431     0    0.023   0.083     4.789   73.095   58.912
LGA    V    84_A      V    84_A     1.411     0    0.072   1.069     4.343   67.262   56.190
LGA    Q    85_A      Q    85_A     2.752     0    0.627   1.041     7.252   61.071   40.317
LGA    G    86_A      G    86_A     5.531     0    0.687   0.687     7.163   21.429   21.429
LGA    N    87_A      N    87_A     8.916     0    0.591   1.070    13.882    4.048    2.024
LGA    S    88_A      S    88_A     9.867     0    0.459   0.441    12.026    0.357    0.238
LGA    G    89_A      G    89_A    10.372     0    0.167   0.167    10.757    0.833    0.833
LGA    G    90_A      G    90_A    13.816     0    0.373   0.373    14.677    0.000    0.000
LGA    G    91_A      G    91_A    11.096     0    0.727   0.727    11.636    0.000    0.000
LGA    S    92_A      S    92_A    10.422     0    0.285   0.631    13.296    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     680    680  100.00                92
SUMMARY(RMSD_GDC):     4.099          4.103                  4.130           68.938   63.817

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     77    1.74    74.185    76.850     4.178

LGA_LOCAL      RMSD:   1.743  Number of atoms:   77  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.296  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   4.099  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.760970 * X  +   0.446365 * Y  +  -0.470833 * Z  + -30.895044
  Y_new =   0.187456 * X  +  -0.543490 * Y  +  -0.818217 * Z  + -31.792189
  Z_new =  -0.621117 * X  +  -0.710898 * Y  +   0.329905 * Z  +  -7.898988 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.900064  0.670167 -1.136305   [DEG:  166.1614   38.3977  -65.1055 ]
ZXZ: -0.522163  1.234593 -2.423496   [DEG:  -29.9177   70.7370 -138.8561 ]
 
# END of job
