
#######################################################
#                                                     #
#                        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       2.88     2.88
  LCS_AVERAGE:     94.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       2_B - 83_B        1.89     3.05
  LCS_AVERAGE:     65.81

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       2_B - 79_B        0.95     3.26
  LONGEST_CONTINUOUS_SEGMENT:    78       3_B - 80_B        1.00     3.28
  LCS_AVERAGE:     60.98

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     78   82  100      3   70   80   87   89   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     V     3_B     V     3_B     78   82  100      3   26   43   79   88   90   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     S     4_B     S     4_B     78   82  100      4   13   53   84   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     D     5_B     D     5_B     78   82  100      4   19   76   84   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     V     6_B     V     6_B     78   82  100     17   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P     7_B     P     7_B     78   82  100     30   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     R     8_B     R     8_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     D     9_B     D     9_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     L    10_B     L    10_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     E    11_B     E    11_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     V    12_B     V    12_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     V    13_B     V    13_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     A    14_B     A    14_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     A    15_B     A    15_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     T    16_B     T    16_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P    17_B     P    17_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     T    18_B     T    18_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     S    19_B     S    19_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     L    20_B     L    20_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     L    21_B     L    21_B     78   82  100     66   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     I    22_B     I    22_B     78   82  100     61   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     S    23_B     S    23_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     W    24_B     W    24_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     D    25_B     D    25_B     78   82  100     30   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     A    26_B     A    26_B     78   82  100      9   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P    27_B     P    27_B     78   82  100      8   45   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P    28_B     P    28_B     78   82  100      3    7   53   84   88   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Y    29_B     Y    29_B     78   82  100      3   70   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Y    30_B     Y    30_B     78   82  100     30   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     V    31_B     V    31_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     R    32_B     R    32_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Y    33_B     Y    33_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Y    34_B     Y    34_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     R    35_B     R    35_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     I    36_B     I    36_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     T    37_B     T    37_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Y    38_B     Y    38_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     G    39_B     G    39_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     E    40_B     E    40_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     T    41_B     T    41_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     G    42_B     G    42_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     G    43_B     G    43_B     78   82  100      3   49   80   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     N    44_B     N    44_B     78   82  100      5   37   79   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     S    45_B     S    45_B     78   82  100      5   26   79   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P    46_B     P    46_B     78   82  100      6   37   79   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     V    47_B     V    47_B     78   82  100     64   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Q    48_B     Q    48_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     E    49_B     E    49_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     F    50_B     F    50_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     T    51_B     T    51_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     V    52_B     V    52_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P    53_B     P    53_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     G    54_B     G    54_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     S    55_B     S    55_B     78   82  100     61   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     K    56_B     K    56_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     S    57_B     S    57_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     T    58_B     T    58_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     A    59_B     A    59_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     T    60_B     T    60_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     I    61_B     I    61_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     S    62_B     S    62_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     G    63_B     G    63_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     L    64_B     L    64_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     K    65_B     K    65_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P    66_B     P    66_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     G    67_B     G    67_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     V    68_B     V    68_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     D    69_B     D    69_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Y    70_B     Y    70_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     T    71_B     T    71_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     I    72_B     I    72_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     T    73_B     T    73_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     V    74_B     V    74_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Y    75_B     Y    75_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     A    76_B     A    76_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     E    77_B     E    77_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     H    78_B     H    78_B     78   82  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P    79_B     P    79_B     78   82  100     43   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Y    80_B     Y    80_B     78   82  100      3   26   43   85   89   91   94   94   94   96   96   96   96   96   98   98   99  100  100  100 
LCS_GDT     Y    81_B     Y    81_B     77   82  100      3    5   66   84   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     D    82_B     D    82_B      5   82  100      3    6    9   26   53   84   93   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P    83_B     P    83_B      5   82  100      3    6    6    7    8    9   10   12   18   31   40   53   92   96   98   98   99  100  100  100 
LCS_GDT     S    84_B     S    84_B      5    9  100      3    6    6    7    8    9   10   12   14   20   26   30   49   56   67   97   99  100  100  100 
LCS_GDT     S    85_B     S    85_B      5    9  100      3    6    6    7    8    9   11   24   32   39   60   77   95   97   98   98   99  100  100  100 
LCS_GDT     S    86_B     S    86_B      5    9  100      3    6    6    7    8   11   16   28   38   52   68   93   96   97   98   98   99  100  100  100 
LCS_GDT     Y    87_B     Y    87_B      4   15  100      3    5   14   46   78   87   93   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Y    88_B     Y    88_B     14   15  100      5   15   62   83   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     F    89_B     F    89_B     14   15  100      8   68   79   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     S    90_B     S    90_B     14   15  100      5   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     S    91_B     S    91_B     14   15  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     K    92_B     K    92_B     14   15  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P    93_B     P    93_B     14   15  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     I    94_B     I    94_B     14   15  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     S    95_B     S    95_B     14   15  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     I    96_B     I    96_B     14   15  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     N    97_B     N    97_B     14   15  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     Y    98_B     Y    98_B     14   15  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     R    99_B     R    99_B     14   15  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     T   100_B     T   100_B     14   15  100     67   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_GDT     P   101_B     P   101_B     14   15  100     51   79   81   87   90   92   94   94   95   96   96   96   96   97   98   98   99  100  100  100 
LCS_AVERAGE  LCS_A:  73.71  (  60.98   65.81   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     67     79     81     87     90     92     94     94     95     96     96     96     96     97     98     98     99    100    100    100 
GDT PERCENT_AT  63.21  74.53  76.42  82.08  84.91  86.79  88.68  88.68  89.62  90.57  90.57  90.57  90.57  91.51  92.45  92.45  93.40  94.34  94.34  94.34
GDT RMS_LOCAL    0.29   0.43   0.49   0.71   0.93   0.99   1.11   1.11   1.40   1.44   1.44   1.44   1.44   2.21   2.47   2.20   2.51   2.88   2.88   2.88
GDT RMS_ALL_AT   3.13   3.17   3.18   3.17   3.11   3.13   3.17   3.17   3.03   3.05   3.05   3.05   3.05   2.92   2.89   2.93   2.90   2.88   2.88   2.88

# 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:  E    40_B      E    40_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:  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     1.748     0    0.146   0.146     2.498   68.810   68.810
LGA    V     3_B      V     3_B     3.572     0    0.074   0.238     7.976   61.548   42.313
LGA    S     4_B      S     4_B     2.679     0    0.159   0.713     5.819   57.143   46.905
LGA    D     5_B      D     5_B     2.406     0    0.392   1.244     3.666   59.405   67.381
LGA    V     6_B      V     6_B     1.016     0    0.027   1.044     2.787   85.952   79.456
LGA    P     7_B      P     7_B     0.842     0    0.096   0.194     1.274   90.476   87.891
LGA    R     8_B      R     8_B     0.198     0    0.023   1.240     7.700   97.619   67.532
LGA    D     9_B      D     9_B     0.607     0    0.016   0.791     3.165   92.857   79.226
LGA    L    10_B      L    10_B     0.315     0    0.015   0.179     0.862  100.000   98.810
LGA    E    11_B      E    11_B     0.338     0    0.014   0.223     1.044  100.000   95.820
LGA    V    12_B      V    12_B     0.257     0    0.033   0.090     0.325  100.000  100.000
LGA    V    13_B      V    13_B     0.318     0    0.121   1.133     2.983   97.619   87.279
LGA    A    14_B      A    14_B     0.380     0    0.032   0.058     0.617   97.619   96.190
LGA    A    15_B      A    15_B     0.178     0    0.036   0.044     0.246  100.000  100.000
LGA    T    16_B      T    16_B     0.048     0    0.033   0.111     0.362  100.000  100.000
LGA    P    17_B      P    17_B     0.142     0    0.049   0.046     0.406  100.000  100.000
LGA    T    18_B      T    18_B     0.154     0    0.018   0.096     0.260  100.000  100.000
LGA    S    19_B      S    19_B     0.298     0    0.009   0.671     1.850  100.000   93.889
LGA    L    20_B      L    20_B     0.388     0    0.033   0.102     0.763  100.000   97.619
LGA    L    21_B      L    21_B     0.633     0    0.020   0.981     3.890   90.476   79.167
LGA    I    22_B      I    22_B     0.705     0    0.118   1.315     3.859   88.214   77.024
LGA    S    23_B      S    23_B     0.373     0    0.021   0.597     2.163  100.000   94.127
LGA    W    24_B      W    24_B     0.162     0    0.052   0.134     0.690  100.000   98.639
LGA    D    25_B      D    25_B     0.790     0    0.117   0.872     2.622   88.214   81.845
LGA    A    26_B      A    26_B     1.061     0    0.049   0.052     1.790   81.548   79.810
LGA    P    27_B      P    27_B     1.736     0    0.030   0.111     2.104   72.976   75.374
LGA    P    28_B      P    28_B     3.052     0    0.697   0.630     5.232   45.833   48.639
LGA    Y    29_B      Y    29_B     1.647     0    0.061   1.300     9.043   72.857   45.476
LGA    Y    30_B      Y    30_B     1.226     0    0.033   0.424     1.679   83.690   81.548
LGA    V    31_B      V    31_B     0.596     0    0.056   0.088     0.799   92.857   91.837
LGA    R    32_B      R    32_B     0.614     0    0.034   1.331     7.830   90.476   62.641
LGA    Y    33_B      Y    33_B     0.695     0    0.056   1.314     7.087   95.238   64.008
LGA    Y    34_B      Y    34_B     0.429     0    0.066   0.233     0.931   97.619   95.238
LGA    R    35_B      R    35_B     0.233     0    0.023   0.907     2.620  100.000   83.853
LGA    I    36_B      I    36_B     0.320     0    0.027   0.094     0.749  100.000   98.810
LGA    T    37_B      T    37_B     0.246     0    0.024   0.166     0.574  100.000   97.279
LGA    Y    38_B      Y    38_B     0.465     0    0.055   0.055     0.465  100.000  100.000
LGA    G    39_B      G    39_B     0.161     0    0.039   0.039     0.210  100.000  100.000
LGA    E    40_B      E    40_B     0.013     0    0.013   0.526     1.856  100.000   90.794
LGA    T    41_B      T    41_B     0.163     0    0.027   1.026     2.679  100.000   88.844
LGA    G    42_B      G    42_B     0.442     0    0.483   0.483     2.254   88.810   88.810
LGA    G    43_B      G    43_B     1.629     0    0.276   0.276     3.180   67.143   67.143
LGA    N    44_B      N    44_B     2.091     3    0.048   0.047     2.593   64.881   39.583
LGA    S    45_B      S    45_B     1.910     0    0.033   0.053     2.160   79.405   75.873
LGA    P    46_B      P    46_B     1.923     0    0.049   0.065     3.140   77.143   67.551
LGA    V    47_B      V    47_B     0.584     0    0.063   1.177     2.552   90.595   80.816
LGA    Q    48_B      Q    48_B     0.121     0    0.014   1.116     3.822   97.619   83.651
LGA    E    49_B      E    49_B     0.407     0    0.091   0.604     1.570  100.000   91.746
LGA    F    50_B      F    50_B     0.068     0    0.024   0.074     0.516  100.000   99.134
LGA    T    51_B      T    51_B     0.135     0    0.034   0.118     0.516  100.000   98.639
LGA    V    52_B      V    52_B     0.397     0    0.037   1.316     2.970  100.000   88.844
LGA    P    53_B      P    53_B     0.374     0    0.039   0.061     0.475  100.000  100.000
LGA    G    54_B      G    54_B     0.394     0    0.042   0.042     0.586   97.619   97.619
LGA    S    55_B      S    55_B     0.777     0    0.025   0.062     0.911   90.476   90.476
LGA    K    56_B      K    56_B     0.489     0    0.039   0.651     2.975   95.238   86.032
LGA    S    57_B      S    57_B     0.413     0    0.076   0.117     0.638  100.000   96.825
LGA    T    58_B      T    58_B     0.221     0    0.081   1.102     2.818  100.000   87.755
LGA    A    59_B      A    59_B     0.379     0    0.017   0.032     0.635   97.619   98.095
LGA    T    60_B      T    60_B     0.488     0    0.039   0.048     0.610  100.000   97.279
LGA    I    61_B      I    61_B     0.250     0    0.031   0.119     0.764  100.000   98.810
LGA    S    62_B      S    62_B     0.472     0    0.036   0.708     2.078  100.000   92.540
LGA    G    63_B      G    63_B     0.527     0    0.043   0.043     0.583   90.476   90.476
LGA    L    64_B      L    64_B     0.405     0    0.054   0.095     0.507   97.619   98.810
LGA    K    65_B      K    65_B     0.289     2    0.019   0.045     0.396  100.000   77.778
LGA    P    66_B      P    66_B     0.132     0    0.037   0.065     0.492  100.000  100.000
LGA    G    67_B      G    67_B     0.320     0    0.156   0.156     0.516   97.619   97.619
LGA    V    68_B      V    68_B     0.233     0    0.034   0.053     0.390  100.000  100.000
LGA    D    69_B      D    69_B     0.216     0    0.035   0.150     1.232  100.000   95.298
LGA    Y    70_B      Y    70_B     0.215     0    0.036   0.081     0.568  100.000   99.206
LGA    T    71_B      T    71_B     0.231     0    0.039   0.087     0.294  100.000  100.000
LGA    I    72_B      I    72_B     0.336     0    0.053   0.358     1.565  100.000   94.226
LGA    T    73_B      T    73_B     0.330     0    0.052   0.102     0.564   97.619   98.639
LGA    V    74_B      V    74_B     0.265     0    0.025   0.034     0.399  100.000  100.000
LGA    Y    75_B      Y    75_B     0.165     0    0.036   0.052     0.333  100.000  100.000
LGA    A    76_B      A    76_B     0.512     0    0.079   0.081     0.854   92.857   92.381
LGA    E    77_B      E    77_B     0.681     0    0.081   0.724     3.970   92.857   76.561
LGA    H    78_B      H    78_B     0.411     0    0.180   0.300     2.433   90.833   81.095
LGA    P    79_B      P    79_B     1.227     0    0.021   0.169     2.797   83.810   75.714
LGA    Y    80_B      Y    80_B     3.221     0    0.658   0.818     8.179   55.476   31.508
LGA    Y    81_B      Y    81_B     3.698     0    0.538   1.472    14.799   36.310   16.270
LGA    D    82_B      D    82_B     6.830     0    0.047   0.973     9.542   10.714    7.619
LGA    P    83_B      P    83_B    12.657     0    0.691   0.590    15.325    0.000    0.000
LGA    S    84_B      S    84_B    16.750     0    0.127   0.165    18.215    0.000    0.000
LGA    S    85_B      S    85_B    13.867     0    0.434   0.678    14.961    0.000    0.079
LGA    S    86_B      S    86_B    12.730     0    0.638   0.798    14.256    0.833    0.556
LGA    Y    87_B      Y    87_B     6.871     0    0.379   1.227     9.450   12.381    6.349
LGA    Y    88_B      Y    88_B     3.300     0    0.426   0.427     7.270   54.762   34.563
LGA    F    89_B      F    89_B     2.107     0    0.044   1.245     7.973   64.881   41.429
LGA    S    90_B      S    90_B     1.083     0    0.073   0.723     2.734   85.952   81.905
LGA    S    91_B      S    91_B     0.518     0    0.037   0.128     0.707   95.238   96.825
LGA    K    92_B      K    92_B     0.210     0    0.052   0.163     1.826  100.000   91.799
LGA    P    93_B      P    93_B     0.253     0    0.027   0.078     0.562  100.000   98.639
LGA    I    94_B      I    94_B     0.197     0    0.039   0.079     0.302  100.000  100.000
LGA    S    95_B      S    95_B     0.193     0    0.043   0.648     1.784  100.000   95.476
LGA    I    96_B      I    96_B     0.215     0    0.051   0.125     0.875  100.000   96.429
LGA    N    97_B      N    97_B     0.188     0    0.029   0.260     0.618  100.000   97.619
LGA    Y    98_B      Y    98_B     0.213     0    0.046   0.098     0.281  100.000  100.000
LGA    R    99_B      R    99_B     0.350     3    0.018   0.464     1.296  100.000   69.307
LGA    T   100_B      T   100_B     0.340     0    0.107   0.150     0.688   97.619   98.639
LGA    P   101_B      P   101_B     0.656     0    0.334   0.376     1.621   86.190   84.218

# 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):     2.883          2.897                  3.212           81.129   75.456

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101  106    4.0     94    1.11    84.434    80.790     7.773

LGA_LOCAL      RMSD:   1.109  Number of atoms:   94  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.170  Number of assigned atoms:  100 
Std_ASGN_ATOMS RMSD:   2.883  Standard rmsd on all 100 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.032967 * X  +   0.359353 * Y  +  -0.932619 * Z  +  -0.138797
  Y_new =   0.946868 * X  +  -0.309926 * Y  +  -0.085949 * Z  +  -1.782505
  Z_new =  -0.319929 * X  +  -0.880234 * Y  +  -0.350477 * Z  +  51.864864 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.535994  0.325654 -1.949719   [DEG:   88.0060   18.6586 -111.7107 ]
ZXZ: -1.478897  1.928877 -2.792978   [DEG:  -84.7346  110.5165 -160.0259 ]
 
# END of job
