
#######################################################
#                                                     #
#                        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  101 (  791),  selected  100 , name one
# Molecule2: number of CA atoms  106 (  830),  selected  100 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       2_B - 101_B       2.94     2.94
  LCS_AVERAGE:     94.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       2_B - 83_B        1.98     3.13
  LCS_AVERAGE:     65.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       4_B - 81_B        0.97     3.26
  LCS_AVERAGE:     59.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  100
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     2_B     G     2_B      3   82  100      0    3    4    5    9   12   19   58   84   93   95   95   96   96   96   96   99   99   99  100 
LCS_GDT     V     3_B     V     3_B      3   82  100      1    3    4    5    9   15   42   90   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S     4_B     S     4_B     78   82  100      4   23   52   84   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     D     5_B     D     5_B     78   82  100      8   45   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V     6_B     V     6_B     78   82  100     50   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P     7_B     P     7_B     78   82  100     62   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     R     8_B     R     8_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     D     9_B     D     9_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     L    10_B     L    10_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     E    11_B     E    11_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    12_B     V    12_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    13_B     V    13_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     A    14_B     A    14_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     A    15_B     A    15_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    16_B     T    16_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    17_B     P    17_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    18_B     T    18_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    19_B     S    19_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     L    20_B     L    20_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     L    21_B     L    21_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    22_B     I    22_B     78   82  100     67   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    23_B     S    23_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     W    24_B     W    24_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     D    25_B     D    25_B     78   82  100     62   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     A    26_B     A    26_B     78   82  100     29   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    27_B     P    27_B     78   82  100     11   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    28_B     P    28_B     78   82  100      3    6   74   84   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    29_B     Y    29_B     78   82  100      3   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    30_B     Y    30_B     78   82  100     50   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    31_B     V    31_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     R    32_B     R    32_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    33_B     Y    33_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    34_B     Y    34_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     R    35_B     R    35_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    36_B     I    36_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    37_B     T    37_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    38_B     Y    38_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    39_B     G    39_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     E    40_B     E    40_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    41_B     T    41_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    42_B     G    42_B     78   82  100      4   35   80   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    43_B     G    43_B     78   82  100     12   75   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     N    44_B     N    44_B     78   82  100      4   32   80   87   88   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    45_B     S    45_B     78   82  100      4   32   80   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    46_B     P    46_B     78   82  100      6   51   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    47_B     V    47_B     78   82  100     59   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Q    48_B     Q    48_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     E    49_B     E    49_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     F    50_B     F    50_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    51_B     T    51_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    52_B     V    52_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    53_B     P    53_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    54_B     G    54_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    55_B     S    55_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     K    56_B     K    56_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    57_B     S    57_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    58_B     T    58_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     A    59_B     A    59_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    60_B     T    60_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    61_B     I    61_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    62_B     S    62_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    63_B     G    63_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     L    64_B     L    64_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     K    65_B     K    65_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    66_B     P    66_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    67_B     G    67_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    68_B     V    68_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     D    69_B     D    69_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    70_B     Y    70_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    71_B     T    71_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    72_B     I    72_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    73_B     T    73_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    74_B     V    74_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    75_B     Y    75_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     A    76_B     A    76_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     E    77_B     E    77_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     H    78_B     H    78_B     78   82  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    79_B     P    79_B     78   82  100     57   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    80_B     Y    80_B     78   82  100      4    7   11   78   88   91   91   92   94   94   95   95   96   96   96   97   99   99   99  100 
LCS_GDT     Y    81_B     Y    81_B     78   82  100     42   76   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     D    82_B     D    82_B      6   82  100      4    5   12   34   63   86   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    83_B     P    83_B      6   82  100      4    5    7    8    8    9   11   13   16   29   37   59   78   95   97   98   99   99   99  100 
LCS_GDT     S    84_B     S    84_B      6   10  100      4    5    7    8    8    9   10   12   18   21   26   45   62   69   89   98   98   98   99  100 
LCS_GDT     S    85_B     S    85_B      6   10  100      4    5    7    8    9   13   18   30   45   58   79   93   95   96   97   98   99   99   99  100 
LCS_GDT     S    86_B     S    86_B      5   10  100      3    4    6    8    9   21   31   44   56   80   91   93   95   96   97   98   99   99   99  100 
LCS_GDT     Y    87_B     Y    87_B      5   15  100      3    6   13   26   43   78   88   93   93   93   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    88_B     Y    88_B      5   15  100      3    4   23   72   83   88   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     F    89_B     F    89_B     13   15  100      3   69   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    90_B     S    90_B     13   15  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    91_B     S    91_B     13   15  100     49   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     K    92_B     K    92_B     13   15  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    93_B     P    93_B     13   15  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    94_B     I    94_B     13   15  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    95_B     S    95_B     13   15  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    96_B     I    96_B     13   15  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     N    97_B     N    97_B     13   15  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    98_B     Y    98_B     13   15  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     R    99_B     R    99_B     13   15  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T   100_B     T   100_B     13   15  100     68   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P   101_B     P   101_B     13   15  100     58   78   81   87   89   91   92   93   94   94   95   95   96   96   97   98   99   99   99  100 
LCS_AVERAGE  LCS_A:  73.20  (  59.42   65.84   94.34 )

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     78     81     87     89     91     92     93     94     94     95     95     96     96     97     98     99     99     99    100 
GDT PERCENT_AT  64.15  73.58  76.42  82.08  83.96  85.85  86.79  87.74  88.68  88.68  89.62  89.62  90.57  90.57  91.51  92.45  93.40  93.40  93.40  94.34
GDT RMS_LOCAL    0.28   0.38   0.48   0.72   0.84   0.94   1.18   1.39   1.33   1.33   1.52   1.46   1.64   1.64   2.47   2.83   2.59   2.59   2.59   2.94
GDT RMS_ALL_AT   3.19   3.21   3.20   3.19   3.21   3.24   3.11   3.06   3.14   3.14   3.08   3.16   3.10   3.10   2.95   2.95   2.96   2.96   2.96   2.94

# Checking swapping
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  F    50_B      F    50_B
#   possible swapping detected:  Y    70_B      Y    70_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  D    82_B      D    82_B
#   possible swapping detected:  Y    87_B      Y    87_B
#   possible swapping detected:  Y    98_B      Y    98_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     6.657     0    0.563   0.563     7.760   17.738   17.738
LGA    V     3_B      V     3_B     5.074     0    0.633   1.197     7.885   33.452   26.327
LGA    S     4_B      S     4_B     3.013     0    0.655   0.783     6.722   59.286   46.111
LGA    D     5_B      D     5_B     2.424     0    0.436   1.222     3.778   57.500   66.488
LGA    V     6_B      V     6_B     0.998     0    0.046   1.017     2.926   90.595   79.728
LGA    P     7_B      P     7_B     0.602     0    0.081   0.172     1.312   92.857   90.612
LGA    R     8_B      R     8_B     0.263     0    0.020   1.293     7.627  100.000   70.433
LGA    D     9_B      D     9_B     0.820     0    0.013   0.822     3.694   90.476   75.357
LGA    L    10_B      L    10_B     0.581     0    0.016   0.173     0.968   90.476   91.667
LGA    E    11_B      E    11_B     0.640     0    0.012   0.223     1.504   92.857   89.577
LGA    V    12_B      V    12_B     0.586     0    0.034   0.095     0.740   90.476   90.476
LGA    V    13_B      V    13_B     0.703     0    0.122   1.135     3.295   92.857   83.469
LGA    A    14_B      A    14_B     0.628     0    0.031   0.058     0.982   90.476   90.476
LGA    A    15_B      A    15_B     0.350     0    0.039   0.048     0.585   97.619   98.095
LGA    T    16_B      T    16_B     0.601     0    0.035   0.113     0.710   95.238   93.197
LGA    P    17_B      P    17_B     0.598     0    0.045   0.044     0.938   95.238   93.197
LGA    T    18_B      T    18_B     0.533     0    0.018   0.099     0.716   95.238   93.197
LGA    S    19_B      S    19_B     0.481     0    0.011   0.671     2.262  100.000   94.127
LGA    L    20_B      L    20_B     0.568     0    0.035   0.104     0.877   90.476   91.667
LGA    L    21_B      L    21_B     0.777     0    0.020   0.980     3.986   90.476   80.179
LGA    I    22_B      I    22_B     0.779     0    0.118   1.317     3.925   88.214   77.024
LGA    S    23_B      S    23_B     0.496     0    0.021   0.597     2.040   95.238   89.365
LGA    W    24_B      W    24_B     0.170     0    0.047   0.116     0.721  100.000   97.279
LGA    D    25_B      D    25_B     0.495     0    0.106   0.822     2.643   95.238   84.464
LGA    A    26_B      A    26_B     0.952     0    0.049   0.051     1.652   83.810   81.619
LGA    P    27_B      P    27_B     1.667     0    0.029   0.100     2.089   70.952   75.510
LGA    P    28_B      P    28_B     3.039     0    0.702   0.616     5.130   45.833   47.687
LGA    Y    29_B      Y    29_B     1.407     0    0.074   1.303     9.333   77.143   47.302
LGA    Y    30_B      Y    30_B     1.015     0    0.034   0.243     1.827   85.952   83.810
LGA    V    31_B      V    31_B     0.341     0    0.060   0.084     0.555  100.000   98.639
LGA    R    32_B      R    32_B     0.289     0    0.026   1.337     6.720   97.619   73.030
LGA    Y    33_B      Y    33_B     0.553     0    0.046   1.341     6.536   97.619   69.881
LGA    Y    34_B      Y    34_B     0.376     0    0.063   0.164     0.719   97.619   96.825
LGA    R    35_B      R    35_B     0.306     0    0.016   1.036     3.680  100.000   88.874
LGA    I    36_B      I    36_B     0.402     0    0.032   0.095     0.576  100.000   98.810
LGA    T    37_B      T    37_B     0.513     0    0.025   0.156     1.009   92.857   90.544
LGA    Y    38_B      Y    38_B     0.498     0    0.068   0.066     0.708   97.619   98.413
LGA    G    39_B      G    39_B     0.341     0    0.031   0.031     0.405  100.000  100.000
LGA    E    40_B      E    40_B     0.156     0    0.094   0.558     1.981   97.619   90.741
LGA    T    41_B      T    41_B     0.396     0    0.628   0.624     2.677   86.905   91.156
LGA    G    42_B      G    42_B     1.944     0    0.269   0.269     3.271   65.119   65.119
LGA    G    43_B      G    43_B     1.492     0    0.194   0.194     1.681   77.143   77.143
LGA    N    44_B      N    44_B     2.557     3    0.078   0.073     3.030   57.262   35.774
LGA    S    45_B      S    45_B     2.372     0    0.028   0.055     2.453   68.929   67.540
LGA    P    46_B      P    46_B     2.502     0    0.059   0.076     3.693   65.000   57.619
LGA    V    47_B      V    47_B     0.979     0    0.058   1.174     2.552   83.810   76.939
LGA    Q    48_B      Q    48_B     0.592     0    0.017   1.089     3.348   92.857   82.169
LGA    E    49_B      E    49_B     0.775     0    0.091   0.497     1.423   90.476   85.450
LGA    F    50_B      F    50_B     0.582     0    0.020   0.082     0.608   92.857   96.537
LGA    T    51_B      T    51_B     0.443     0    0.031   0.111     0.962   97.619   94.558
LGA    V    52_B      V    52_B     0.161     0    0.039   1.313     2.629  100.000   87.755
LGA    P    53_B      P    53_B     0.464     0    0.041   0.064     0.763  100.000   97.279
LGA    G    54_B      G    54_B     0.250     0    0.014   0.014     0.346  100.000  100.000
LGA    S    55_B      S    55_B     0.624     0    0.024   0.064     0.916   92.857   92.063
LGA    K    56_B      K    56_B     0.524     0    0.034   0.656     2.503   92.857   86.032
LGA    S    57_B      S    57_B     0.414     0    0.074   0.116     0.540   97.619   95.238
LGA    T    58_B      T    58_B     0.385     0    0.078   1.101     3.065   97.619   84.014
LGA    A    59_B      A    59_B     0.359     0    0.019   0.035     0.617   97.619   98.095
LGA    T    60_B      T    60_B     0.456     0    0.038   0.048     0.808  100.000   95.918
LGA    I    61_B      I    61_B     0.241     0    0.029   0.119     0.699  100.000   98.810
LGA    S    62_B      S    62_B     0.641     0    0.036   0.708     1.770   97.619   92.302
LGA    G    63_B      G    63_B     0.594     0    0.046   0.046     0.716   90.476   90.476
LGA    L    64_B      L    64_B     0.541     0    0.060   0.104     0.845   90.476   95.238
LGA    K    65_B      K    65_B     0.519     2    0.037   0.644     2.480   90.476   65.714
LGA    P    66_B      P    66_B     0.469     0    0.038   0.068     0.561   97.619   97.279
LGA    G    67_B      G    67_B     0.643     0    0.161   0.161     0.865   90.476   90.476
LGA    V    68_B      V    68_B     0.436     0    0.038   0.053     0.667   97.619   94.558
LGA    D    69_B      D    69_B     0.208     0    0.049   0.293     0.893   97.619   96.429
LGA    Y    70_B      Y    70_B     0.234     0    0.029   0.076     0.589  100.000   99.206
LGA    T    71_B      T    71_B     0.349     0    0.042   0.085     0.402  100.000  100.000
LGA    I    72_B      I    72_B     0.493     0    0.052   0.357     1.513  100.000   93.036
LGA    T    73_B      T    73_B     0.550     0    0.051   0.102     0.652   90.476   90.476
LGA    V    74_B      V    74_B     0.412     0    0.029   0.034     0.472  100.000  100.000
LGA    Y    75_B      Y    75_B     0.428     0    0.033   0.060     0.888  100.000   93.651
LGA    A    76_B      A    76_B     0.146     0    0.168   0.194     1.015   95.357   96.286
LGA    E    77_B      E    77_B     0.322     0    0.086   0.707     3.553   95.238   82.910
LGA    H    78_B      H    78_B     0.917     0    0.203   0.890     2.662   79.881   75.857
LGA    P    79_B      P    79_B     1.541     0    0.029   0.140     2.381   70.952   75.510
LGA    Y    80_B      Y    80_B     4.076     0    0.055   1.104     8.320   43.571   25.556
LGA    Y    81_B      Y    81_B     1.480     0    0.119   1.370    12.035   61.667   32.619
LGA    D    82_B      D    82_B     5.731     0    0.025   0.993     9.028   19.167   12.857
LGA    P    83_B      P    83_B    12.091     0    0.079   0.322    14.812    0.119    0.068
LGA    S    84_B      S    84_B    15.496     0    0.191   0.178    16.699    0.000    0.000
LGA    S    85_B      S    85_B    12.415     0    0.667   0.779    12.742    0.000    0.794
LGA    S    86_B      S    86_B    11.397     0    0.361   0.652    13.085    2.143    1.429
LGA    Y    87_B      Y    87_B     6.951     0    0.139   0.357    10.797   11.667    5.635
LGA    Y    88_B      Y    88_B     3.950     0    0.105   0.185     5.390   47.262   37.817
LGA    F    89_B      F    89_B     1.433     0    0.109   1.316     5.308   81.786   61.429
LGA    S    90_B      S    90_B     0.715     0    0.644   0.870     3.451   78.095   79.286
LGA    S    91_B      S    91_B     0.648     0    0.049   0.610     2.278   88.214   84.683
LGA    K    92_B      K    92_B     0.523     0    0.045   0.681     3.526   97.619   80.000
LGA    P    93_B      P    93_B     0.641     0    0.030   0.092     1.217   90.476   87.891
LGA    I    94_B      I    94_B     0.582     0    0.037   0.074     0.678   92.857   91.667
LGA    S    95_B      S    95_B     0.482     0    0.043   0.651     2.221  100.000   94.127
LGA    I    96_B      I    96_B     0.492     0    0.052   0.124     1.007  100.000   94.107
LGA    N    97_B      N    97_B     0.375     0    0.030   0.251     0.818  100.000   97.619
LGA    Y    98_B      Y    98_B     0.324     0    0.030   0.084     0.614  100.000   97.619
LGA    R    99_B      R    99_B     0.167     3    0.022   0.453     1.474  100.000   71.039
LGA    T   100_B      T   100_B     0.201     0    0.091   0.128     0.471  100.000  100.000
LGA    P   101_B      P   101_B     0.733     0    0.314   0.362     1.700   85.952   81.565

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      100     400    400  100.00     775    775  100.00               106
SUMMARY(RMSD_GDC):     2.943          2.941                  3.191           78.567   73.437

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101  106    4.0     93    1.39    83.962    80.189     6.244

LGA_LOCAL      RMSD:   1.389  Number of atoms:   93  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.060  Number of assigned atoms:  100 
Std_ASGN_ATOMS RMSD:   2.943  Standard rmsd on all 100 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.963810 * X  +   0.018269 * Y  +  -0.265965 * Z  +  -3.072481
  Y_new =  -0.077218 * X  +   0.974014 * Y  +  -0.212920 * Z  +   2.868180
  Z_new =   0.255163 * X  +   0.225752 * Y  +   0.940174 * Z  +  46.570526 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.079947 -0.258016  0.235655   [DEG:   -4.5806  -14.7833   13.5021 ]
ZXZ: -0.895715  0.347654  0.846480   [DEG:  -51.3207   19.9191   48.4997 ]
 
# END of job
