
#######################################################
#                                                     #
#                        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       2.85     2.85
  LCS_AVERAGE:     94.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       2_B - 83_B        1.99     3.01
  LCS_AVERAGE:     65.81

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       4_B - 79_B        0.99     3.24
  LONGEST_CONTINUOUS_SEGMENT:    76       5_B - 80_B        0.98     3.25
  LCS_AVERAGE:     57.55

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      3    3    8   16   79   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     V     3_B     V     3_B      3   82  100      3    3    3   35   79   89   91   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     S     4_B     S     4_B     76   82  100      7   24   50   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     D     5_B     D     5_B     76   82  100      7   25   80   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     V     6_B     V     6_B     76   82  100     41   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P     7_B     P     7_B     76   82  100     56   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     R     8_B     R     8_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     D     9_B     D     9_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     L    10_B     L    10_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     E    11_B     E    11_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     V    12_B     V    12_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     V    13_B     V    13_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     A    14_B     A    14_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     A    15_B     A    15_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     T    16_B     T    16_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P    17_B     P    17_B     76   82  100     61   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     T    18_B     T    18_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     S    19_B     S    19_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     L    20_B     L    20_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     L    21_B     L    21_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     I    22_B     I    22_B     76   82  100     62   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     S    23_B     S    23_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     W    24_B     W    24_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     D    25_B     D    25_B     76   82  100     32   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     A    26_B     A    26_B     76   82  100     10   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P    27_B     P    27_B     76   82  100      8   74   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P    28_B     P    28_B     76   82  100      3    7   50   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    29_B     Y    29_B     76   82  100      3   73   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    30_B     Y    30_B     76   82  100     17   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     V    31_B     V    31_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     R    32_B     R    32_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    33_B     Y    33_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    34_B     Y    34_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     R    35_B     R    35_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     I    36_B     I    36_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     T    37_B     T    37_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    38_B     Y    38_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     G    39_B     G    39_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     E    40_B     E    40_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     T    41_B     T    41_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     G    42_B     G    42_B     76   82  100      3   36   75   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     G    43_B     G    43_B     76   82  100      3   74   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     N    44_B     N    44_B     76   82  100      3    5    8   47   79   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     S    45_B     S    45_B     76   82  100      4   20   77   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P    46_B     P    46_B     76   82  100      9   42   74   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     V    47_B     V    47_B     76   82  100     60   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Q    48_B     Q    48_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     E    49_B     E    49_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     F    50_B     F    50_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     T    51_B     T    51_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     V    52_B     V    52_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P    53_B     P    53_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     G    54_B     G    54_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     S    55_B     S    55_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     K    56_B     K    56_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     S    57_B     S    57_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     T    58_B     T    58_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     A    59_B     A    59_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     T    60_B     T    60_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     I    61_B     I    61_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     S    62_B     S    62_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     G    63_B     G    63_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     L    64_B     L    64_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     K    65_B     K    65_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P    66_B     P    66_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     G    67_B     G    67_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     V    68_B     V    68_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     D    69_B     D    69_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    70_B     Y    70_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     T    71_B     T    71_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     I    72_B     I    72_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     T    73_B     T    73_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     V    74_B     V    74_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    75_B     Y    75_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     A    76_B     A    76_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     E    77_B     E    77_B     76   82  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     H    78_B     H    78_B     76   82  100     57   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P    79_B     P    79_B     76   82  100      3   60   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    80_B     Y    80_B     76   82  100      3    4   76   83   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    81_B     Y    81_B     36   82  100      3   22   35   74   84   87   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     D    82_B     D    82_B      6   82  100      3    5    6   19   35   66   88   91   93   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P    83_B     P    83_B      6   82  100      3    5    6    6    8   11   13   16   28   40   61   78   87   96   98   99   99  100  100  100 
LCS_GDT     S    84_B     S    84_B      6    9  100      3    5    6    6    8   10   13   14   18   23   29   35   50   59   77   96   99  100  100  100 
LCS_GDT     S    85_B     S    85_B      6    9  100      3    5    6    9   14   28   34   43   56   77   91   94   97   97   98   99   99  100  100  100 
LCS_GDT     S    86_B     S    86_B      3    9  100      3    3    3    6   10   11   17   25   33   42   58   78   87   94   98   99   99  100  100  100 
LCS_GDT     Y    87_B     Y    87_B      4   15  100      3    4   11   19   32   58   88   90   93   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    88_B     Y    88_B      6   15  100      3    4   21   55   83   87   91   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     F    89_B     F    89_B     13   15  100      6   36   79   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     S    90_B     S    90_B     13   15  100      7   66   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     S    91_B     S    91_B     13   15  100     62   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     K    92_B     K    92_B     13   15  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P    93_B     P    93_B     13   15  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     I    94_B     I    94_B     13   15  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     S    95_B     S    95_B     13   15  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     I    96_B     I    96_B     13   15  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     N    97_B     N    97_B     13   15  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     Y    98_B     Y    98_B     13   15  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     R    99_B     R    99_B     13   15  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     T   100_B     T   100_B     13   15  100     65   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_GDT     P   101_B     P   101_B     13   15  100     57   76   81   84   88   89   92   94   94   95   96   96   97   97   98   99   99  100  100  100 
LCS_AVERAGE  LCS_A:  72.57  (  57.55   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     65     76     81     84     88     89     92     94     94     95     96     96     97     97     98     99     99    100    100    100 
GDT PERCENT_AT  61.32  71.70  76.42  79.25  83.02  83.96  86.79  88.68  88.68  89.62  90.57  90.57  91.51  91.51  92.45  93.40  93.40  94.34  94.34  94.34
GDT RMS_LOCAL    0.30   0.42   0.56   0.71   0.87   0.92   1.16   1.31   1.31   1.53   1.71   1.71   2.01   2.01   2.27   2.52   2.52   2.85   2.85   2.85
GDT RMS_ALL_AT   3.13   3.16   3.21   3.19   3.23   3.24   3.17   3.14   3.14   3.05   2.99   2.99   2.92   2.92   2.89   2.86   2.86   2.85   2.85   2.85

# 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    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     3.389     0    0.398   0.398     4.490   50.833   50.833
LGA    V     3_B      V     3_B     4.030     0    0.049   0.214     8.866   48.810   32.109
LGA    S     4_B      S     4_B     3.040     0    0.604   0.535     5.923   57.262   46.111
LGA    D     5_B      D     5_B     2.558     0    0.435   1.241     3.884   53.690   65.714
LGA    V     6_B      V     6_B     0.953     0    0.040   1.038     2.703   88.214   79.660
LGA    P     7_B      P     7_B     0.703     0    0.075   0.169     1.244   90.476   87.891
LGA    R     8_B      R     8_B     0.124     0    0.022   1.294     7.993  100.000   67.403
LGA    D     9_B      D     9_B     0.593     0    0.013   0.822     3.419   92.857   78.333
LGA    L    10_B      L    10_B     0.362     0    0.014   0.176     0.917  100.000   98.810
LGA    E    11_B      E    11_B     0.402     0    0.014   0.222     1.165  100.000   94.762
LGA    V    12_B      V    12_B     0.347     0    0.034   0.085     0.444  100.000  100.000
LGA    V    13_B      V    13_B     0.404     0    0.121   1.135     3.094  100.000   87.619
LGA    A    14_B      A    14_B     0.425     0    0.033   0.060     0.681   97.619   96.190
LGA    A    15_B      A    15_B     0.142     0    0.032   0.038     0.200  100.000  100.000
LGA    T    16_B      T    16_B     0.146     0    0.034   0.112     0.311  100.000  100.000
LGA    P    17_B      P    17_B     0.367     0    0.072   0.073     0.751   97.619   95.918
LGA    T    18_B      T    18_B     0.244     0    0.016   0.091     0.325  100.000  100.000
LGA    S    19_B      S    19_B     0.310     0    0.012   0.665     1.788  100.000   93.889
LGA    L    20_B      L    20_B     0.419     0    0.035   0.102     0.805  100.000   96.429
LGA    L    21_B      L    21_B     0.677     0    0.021   0.985     3.879   90.476   79.167
LGA    I    22_B      I    22_B     0.727     0    0.117   1.315     3.848   88.214   77.024
LGA    S    23_B      S    23_B     0.380     0    0.023   0.604     2.133  100.000   94.127
LGA    W    24_B      W    24_B     0.137     0    0.045   0.118     0.686  100.000   98.639
LGA    D    25_B      D    25_B     0.759     0    0.104   0.820     2.473   90.476   82.857
LGA    A    26_B      A    26_B     1.079     0    0.054   0.057     1.845   79.286   78.000
LGA    P    27_B      P    27_B     1.844     0    0.028   0.106     2.252   70.952   74.218
LGA    P    28_B      P    28_B     3.266     0    0.699   0.619     5.383   45.833   45.714
LGA    Y    29_B      Y    29_B     1.776     0    0.063   1.300     9.630   72.857   43.889
LGA    Y    30_B      Y    30_B     1.351     0    0.026   0.407     1.783   79.286   80.079
LGA    V    31_B      V    31_B     0.557     0    0.060   0.088     0.696   95.238   95.918
LGA    R    32_B      R    32_B     0.532     0    0.039   0.372     2.318   90.476   82.554
LGA    Y    33_B      Y    33_B     0.579     0    0.050   1.302     7.282   95.238   64.008
LGA    Y    34_B      Y    34_B     0.497     0    0.065   0.157     0.750   95.238   96.825
LGA    R    35_B      R    35_B     0.244     0    0.030   0.907     2.598  100.000   83.853
LGA    I    36_B      I    36_B     0.385     0    0.023   0.091     0.784  100.000   97.619
LGA    T    37_B      T    37_B     0.251     0    0.030   0.114     0.470  100.000  100.000
LGA    Y    38_B      Y    38_B     0.464     0    0.063   0.062     0.529  100.000   99.206
LGA    G    39_B      G    39_B     0.152     0    0.031   0.031     0.429  100.000  100.000
LGA    E    40_B      E    40_B     0.297     0    0.070   0.437     1.638  100.000   91.799
LGA    T    41_B      T    41_B     0.302     0    0.671   0.905     2.562   89.286   84.966
LGA    G    42_B      G    42_B     1.949     0    0.141   0.141     1.949   79.405   79.405
LGA    G    43_B      G    43_B     1.850     0    0.517   0.517     2.215   82.024   82.024
LGA    N    44_B      N    44_B     3.473     3    0.073   0.072     5.441   48.095   27.321
LGA    S    45_B      S    45_B     2.120     0    0.041   0.080     2.184   70.952   68.889
LGA    P    46_B      P    46_B     2.062     0    0.060   0.086     3.190   73.095   65.238
LGA    V    47_B      V    47_B     0.589     0    0.059   1.178     2.766   90.595   80.816
LGA    Q    48_B      Q    48_B     0.173     0    0.018   1.099     3.757  100.000   84.709
LGA    E    49_B      E    49_B     0.385     0    0.088   0.598     1.521  100.000   91.746
LGA    F    50_B      F    50_B     0.104     0    0.024   0.072     0.578  100.000   97.403
LGA    T    51_B      T    51_B     0.216     0    0.031   0.116     0.648  100.000   98.639
LGA    V    52_B      V    52_B     0.380     0    0.040   1.312     2.952  100.000   87.755
LGA    P    53_B      P    53_B     0.128     0    0.043   0.063     0.337  100.000  100.000
LGA    G    54_B      G    54_B     0.221     0    0.015   0.015     0.377  100.000  100.000
LGA    S    55_B      S    55_B     0.562     0    0.023   0.064     0.703   92.857   92.063
LGA    K    56_B      K    56_B     0.496     0    0.034   0.656     2.870   97.619   87.090
LGA    S    57_B      S    57_B     0.325     0    0.072   0.111     0.519  100.000   98.413
LGA    T    58_B      T    58_B     0.239     0    0.078   1.094     2.804  100.000   88.844
LGA    A    59_B      A    59_B     0.437     0    0.019   0.033     0.678   95.238   96.190
LGA    T    60_B      T    60_B     0.514     0    0.036   0.047     0.656   97.619   94.558
LGA    I    61_B      I    61_B     0.260     0    0.032   0.122     0.748  100.000   98.810
LGA    S    62_B      S    62_B     0.483     0    0.037   0.710     2.090  100.000   92.540
LGA    G    63_B      G    63_B     0.567     0    0.044   0.044     0.660   90.476   90.476
LGA    L    64_B      L    64_B     0.492     0    0.066   0.105     0.701   95.238   97.619
LGA    K    65_B      K    65_B     0.453     2    0.051   0.656     2.302   95.238   67.831
LGA    P    66_B      P    66_B     0.319     0    0.043   0.062     0.630  100.000   97.279
LGA    G    67_B      G    67_B     0.452     0    0.175   0.175     0.738   97.619   97.619
LGA    V    68_B      V    68_B     0.355     0    0.037   0.050     0.638  100.000   97.279
LGA    D    69_B      D    69_B     0.032     0    0.044   0.152     1.135   97.619   94.107
LGA    Y    70_B      Y    70_B     0.185     0    0.035   0.066     0.573  100.000   99.206
LGA    T    71_B      T    71_B     0.138     0    0.041   0.092     0.245  100.000  100.000
LGA    I    72_B      I    72_B     0.367     0    0.051   0.358     1.530  100.000   94.226
LGA    T    73_B      T    73_B     0.341     0    0.044   0.089     0.507  100.000   98.639
LGA    V    74_B      V    74_B     0.255     0    0.026   0.032     0.352  100.000  100.000
LGA    Y    75_B      Y    75_B     0.176     0    0.046   0.061     0.432  100.000  100.000
LGA    A    76_B      A    76_B     0.470     0    0.105   0.111     1.039   92.976   94.381
LGA    E    77_B      E    77_B     0.641     0    0.064   0.702     3.945   95.238   78.413
LGA    H    78_B      H    78_B     0.679     0    0.156   0.259     2.289   81.786   75.667
LGA    P    79_B      P    79_B     1.940     0    0.584   0.708     4.794   60.714   68.435
LGA    Y    80_B      Y    80_B     2.651     0    0.649   1.281    13.220   66.905   29.802
LGA    Y    81_B      Y    81_B     4.282     0    0.020   0.194    13.294   33.214   14.087
LGA    D    82_B      D    82_B     7.962     0    0.063   0.994    12.691    6.786    3.571
LGA    P    83_B      P    83_B    11.908     0    0.025   0.280    14.640    0.000    0.000
LGA    S    84_B      S    84_B    15.820     0    0.182   0.170    17.551    0.000    0.000
LGA    S    85_B      S    85_B    11.664     0    0.650   0.750    12.746    0.000    0.000
LGA    S    86_B      S    86_B    12.715     0    0.711   0.859    13.906    0.357    0.238
LGA    Y    87_B      Y    87_B     8.288     0    0.126   0.268    13.112    6.190    2.302
LGA    Y    88_B      Y    88_B     4.519     0    0.042   1.359    11.811   34.881   17.738
LGA    F    89_B      F    89_B     2.119     0    0.101   1.281     5.993   66.905   51.082
LGA    S    90_B      S    90_B     1.736     0    0.078   0.738     2.703   77.143   73.095
LGA    S    91_B      S    91_B     0.632     0    0.044   0.135     0.966   92.857   95.238
LGA    K    92_B      K    92_B     0.322     0    0.056   0.152     1.895  100.000   90.741
LGA    P    93_B      P    93_B     0.377     0    0.025   0.079     0.745  100.000   97.279
LGA    I    94_B      I    94_B     0.272     0    0.036   0.075     0.359  100.000  100.000
LGA    S    95_B      S    95_B     0.273     0    0.042   0.650     1.906  100.000   95.476
LGA    I    96_B      I    96_B     0.255     0    0.050   0.124     0.876  100.000   96.429
LGA    N    97_B      N    97_B     0.205     0    0.026   0.258     0.749  100.000   98.810
LGA    Y    98_B      Y    98_B     0.139     0    0.041   0.095     0.298  100.000  100.000
LGA    R    99_B      R    99_B     0.166     3    0.026   0.463     1.418  100.000   69.307
LGA    T   100_B      T   100_B     0.478     0    0.081   0.931     2.233   97.619   88.367
LGA    P   101_B      P   101_B     0.550     0    0.278   0.333     1.279   92.976   89.320

# 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):     2.849          2.836                  3.361           79.910   74.516

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101  106    4.0     94    1.31    83.255    79.921     6.656

LGA_LOCAL      RMSD:   1.312  Number of atoms:   94  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.136  Number of assigned atoms:  100 
Std_ASGN_ATOMS RMSD:   2.849  Standard rmsd on all 100 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.029725 * X  +   0.843920 * Y  +   0.535644 * Z  +  -1.370439
  Y_new =   0.981223 * X  +   0.126805 * Y  +  -0.145332 * Z  +  -2.301195
  Z_new =  -0.190571 * X  +   0.521267 * Y  +  -0.831844 * Z  +  48.017033 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.601081  0.191744  2.581815   [DEG:   91.7352   10.9861  147.9271 ]
ZXZ:  1.305853  2.553218 -0.350497   [DEG:   74.8199  146.2886  -20.0820 ]
 
# END of job
