
#######################################################
#                                                     #
#                        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       3.05     3.05
  LCS_AVERAGE:     94.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       2_B - 82_B        1.62     3.31
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.99     3.18
  LCS_AVERAGE:     65.04

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       4_B - 80_B        1.00     3.41
  LCS_AVERAGE:     58.38

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   81  100      0    3    3    4    7   14   18   38   85   93   94   94   96   96   96   96   99   99   99  100 
LCS_GDT     V     3_B     V     3_B      3   81  100      1    3    3    4   10   15   29   90   93   93   95   95   96   96   96   98   99   99   99  100 
LCS_GDT     S     4_B     S     4_B     77   81  100      6   26   57   82   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     D     5_B     D     5_B     77   81  100      6   39   80   83   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V     6_B     V     6_B     77   81  100     50   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P     7_B     P     7_B     77   81  100     59   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     R     8_B     R     8_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     D     9_B     D     9_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     L    10_B     L    10_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     E    11_B     E    11_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    12_B     V    12_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    13_B     V    13_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     A    14_B     A    14_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     A    15_B     A    15_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    16_B     T    16_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    17_B     P    17_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    18_B     T    18_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    19_B     S    19_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     L    20_B     L    20_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     L    21_B     L    21_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    22_B     I    22_B     77   81  100     60   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    23_B     S    23_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     W    24_B     W    24_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     D    25_B     D    25_B     77   81  100     53   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     A    26_B     A    26_B     77   81  100     20   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    27_B     P    27_B     77   81  100     11   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    28_B     P    28_B     77   81  100      3    7   64   82   86   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    29_B     Y    29_B     77   81  100      3   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    30_B     Y    30_B     77   81  100     32   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    31_B     V    31_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     R    32_B     R    32_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    33_B     Y    33_B     77   81  100     60   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    34_B     Y    34_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     R    35_B     R    35_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    36_B     I    36_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    37_B     T    37_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    38_B     Y    38_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    39_B     G    39_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     E    40_B     E    40_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    41_B     T    41_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    42_B     G    42_B     77   81  100      3    3   46   80   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    43_B     G    43_B     77   81  100     16   58   79   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     N    44_B     N    44_B     77   81  100     10   58   79   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    45_B     S    45_B     77   81  100      5   33   75   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    46_B     P    46_B     77   81  100      5   33   75   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    47_B     V    47_B     77   81  100     58   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Q    48_B     Q    48_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     E    49_B     E    49_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     F    50_B     F    50_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    51_B     T    51_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    52_B     V    52_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    53_B     P    53_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    54_B     G    54_B     77   81  100     14   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    55_B     S    55_B     77   81  100      4   27   79   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     K    56_B     K    56_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    57_B     S    57_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    58_B     T    58_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     A    59_B     A    59_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    60_B     T    60_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    61_B     I    61_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    62_B     S    62_B     77   81  100     60   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    63_B     G    63_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     L    64_B     L    64_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     K    65_B     K    65_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    66_B     P    66_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     G    67_B     G    67_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    68_B     V    68_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     D    69_B     D    69_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    70_B     Y    70_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    71_B     T    71_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    72_B     I    72_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T    73_B     T    73_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     V    74_B     V    74_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    75_B     Y    75_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     A    76_B     A    76_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     E    77_B     E    77_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     H    78_B     H    78_B     77   81  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    79_B     P    79_B     77   81  100     18   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    80_B     Y    80_B     77   81  100      3    3   73   83   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    81_B     Y    81_B     36   81  100      4   34   72   80   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     D    82_B     D    82_B      7   81  100      4    7    7   16   30   68   89   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    83_B     P    83_B      7   81  100      4    7    7    8    9    9   12   13   23   31   52   64   84   94   97   98   99   99   99  100 
LCS_GDT     S    84_B     S    84_B      7    9  100      4    7    7    8    9   10   12   14   16   19   26   44   47   58   61   78   97   99   99  100 
LCS_GDT     S    85_B     S    85_B      7    9  100      4    7    7    8    9   11   19   27   35   52   64   84   91   94   97   98   99   99   99  100 
LCS_GDT     S    86_B     S    86_B      7    9  100      4    7    7    8   10   16   25   33   43   60   74   85   91   95   97   98   99   99   99  100 
LCS_GDT     Y    87_B     Y    87_B      7   15  100      4    7    8   24   45   74   89   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    88_B     Y    88_B      6   15  100      3    6   17   55   83   89   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     F    89_B     F    89_B     13   15  100      6   35   80   83   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    90_B     S    90_B     13   15  100      6   72   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    91_B     S    91_B     13   15  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     K    92_B     K    92_B     13   15  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P    93_B     P    93_B     13   15  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    94_B     I    94_B     13   15  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     S    95_B     S    95_B     13   15  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     I    96_B     I    96_B     13   15  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     N    97_B     N    97_B     13   15  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     Y    98_B     Y    98_B     13   15  100     62   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     R    99_B     R    99_B     13   15  100     56   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     T   100_B     T   100_B     13   15  100     58   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_GDT     P   101_B     P   101_B     13   15  100      4   74   80   84   87   90   91   92   93   94   95   95   96   96   97   98   99   99   99  100 
LCS_AVERAGE  LCS_A:  72.58  (  58.38   65.04   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     62     74     80     84     87     90     91     92     93     94     95     95     96     96     97     98     99     99     99    100 
GDT PERCENT_AT  58.49  69.81  75.47  79.25  82.08  84.91  85.85  86.79  87.74  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    0.30   0.41   0.58   0.73   0.84   0.98   1.05   1.14   1.25   1.55   1.63   1.63   1.76   1.76   2.55   2.60   2.69   2.69   2.69   3.05
GDT RMS_ALL_AT   3.32   3.34   3.39   3.36   3.39   3.40   3.35   3.31   3.32   3.18   3.19   3.19   3.21   3.21   3.06   3.06   3.06   3.06   3.06   3.05

# 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:  Y    87_B      Y    87_B
#   possible swapping detected:  Y    88_B      Y    88_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     6.495     0    0.567   0.567     7.694   18.690   18.690
LGA    V     3_B      V     3_B     5.144     0    0.630   1.192     8.071   33.452   25.986
LGA    S     4_B      S     4_B     2.805     0    0.647   0.560     5.713   61.071   48.651
LGA    D     5_B      D     5_B     2.205     0    0.448   1.236     3.578   59.405   69.702
LGA    V     6_B      V     6_B     0.707     0    0.038   1.026     2.735   95.238   83.673
LGA    P     7_B      P     7_B     0.424     0    0.071   0.168     1.088   95.238   93.265
LGA    R     8_B      R     8_B     0.243     0    0.022   1.293     7.440  100.000   70.693
LGA    D     9_B      D     9_B     0.799     0    0.012   0.826     3.681   90.476   75.357
LGA    L    10_B      L    10_B     0.505     0    0.015   0.172     0.958   95.238   96.429
LGA    E    11_B      E    11_B     0.473     0    0.015   0.224     1.281  100.000   93.704
LGA    V    12_B      V    12_B     0.393     0    0.037   0.080     0.525   97.619   98.639
LGA    V    13_B      V    13_B     0.416     0    0.122   1.134     3.113   97.619   86.258
LGA    A    14_B      A    14_B     0.475     0    0.029   0.055     0.742   95.238   94.286
LGA    A    15_B      A    15_B     0.098     0    0.038   0.046     0.175  100.000  100.000
LGA    T    16_B      T    16_B     0.189     0    0.034   0.109     0.411  100.000  100.000
LGA    P    17_B      P    17_B     0.180     0    0.044   0.045     0.515  100.000   98.639
LGA    T    18_B      T    18_B     0.163     0    0.018   0.099     0.294  100.000  100.000
LGA    S    19_B      S    19_B     0.281     0    0.014   0.661     1.948  100.000   93.889
LGA    L    20_B      L    20_B     0.333     0    0.032   0.124     0.638  100.000   98.810
LGA    L    21_B      L    21_B     0.659     0    0.020   0.976     3.724   90.476   80.179
LGA    I    22_B      I    22_B     0.740     0    0.117   1.315     3.804   88.214   77.024
LGA    S    23_B      S    23_B     0.432     0    0.020   0.599     1.964  100.000   95.476
LGA    W    24_B      W    24_B     0.209     0    0.059   0.122     0.805  100.000   97.279
LGA    D    25_B      D    25_B     0.608     0    0.098   0.803     2.515   90.476   80.893
LGA    A    26_B      A    26_B     0.871     0    0.056   0.060     1.500   83.810   83.333
LGA    P    27_B      P    27_B     1.542     0    0.031   0.105     1.950   75.000   77.823
LGA    P    28_B      P    28_B     2.956     0    0.700   0.618     5.144   47.619   49.660
LGA    Y    29_B      Y    29_B     1.524     0    0.062   1.292     9.299   75.000   46.587
LGA    Y    30_B      Y    30_B     1.170     0    0.046   0.453     1.922   83.690   81.548
LGA    V    31_B      V    31_B     0.417     0    0.046   0.075     0.760  100.000   98.639
LGA    R    32_B      R    32_B     0.516     0    0.020   1.426     7.496   90.476   63.766
LGA    Y    33_B      Y    33_B     0.565     0    0.055   1.312     6.895   95.238   67.262
LGA    Y    34_B      Y    34_B     0.520     0    0.067   0.146     0.713   92.857   93.651
LGA    R    35_B      R    35_B     0.173     0    0.029   0.925     2.959  100.000   83.853
LGA    I    36_B      I    36_B     0.360     0    0.024   0.095     0.734  100.000   98.810
LGA    T    37_B      T    37_B     0.340     0    0.031   0.113     0.659  100.000   97.279
LGA    Y    38_B      Y    38_B     0.402     0    0.063   0.063     0.635  100.000   99.206
LGA    G    39_B      G    39_B     0.274     0    0.029   0.029     0.279  100.000  100.000
LGA    E    40_B      E    40_B     0.157     0    0.057   0.493     1.523  100.000   92.804
LGA    T    41_B      T    41_B     0.181     0    0.505   0.898     2.435   93.214   86.054
LGA    G    42_B      G    42_B     2.858     0    0.468   0.468     4.861   50.833   50.833
LGA    G    43_B      G    43_B     1.520     0    0.182   0.182     1.660   77.143   77.143
LGA    N    44_B      N    44_B     1.962     3    0.091   0.090     2.549   66.905   41.548
LGA    S    45_B      S    45_B     2.280     0    0.031   0.059     2.506   70.952   67.619
LGA    P    46_B      P    46_B     2.412     0    0.061   0.083     3.696   68.810   59.796
LGA    V    47_B      V    47_B     0.807     0    0.063   1.175     2.737   88.214   79.456
LGA    Q    48_B      Q    48_B     0.394     0    0.015   1.107     3.568  100.000   84.603
LGA    E    49_B      E    49_B     0.502     0    0.086   0.596     1.337   97.619   91.640
LGA    F    50_B      F    50_B     0.239     0    0.018   0.073     0.482  100.000  100.000
LGA    T    51_B      T    51_B     0.204     0    0.026   0.125     0.784  100.000   98.639
LGA    V    52_B      V    52_B     0.279     0    0.032   1.308     2.967  100.000   88.844
LGA    P    53_B      P    53_B     0.189     0    0.033   0.061     0.360  100.000  100.000
LGA    G    54_B      G    54_B     0.673     0    0.700   0.700     2.892   82.143   82.143
LGA    S    55_B      S    55_B     1.838     0    0.010   0.179     2.271   75.000   71.587
LGA    K    56_B      K    56_B     0.720     0    0.046   0.654     3.660   90.476   78.730
LGA    S    57_B      S    57_B     0.456     0    0.084   0.121     0.534   97.619   98.413
LGA    T    58_B      T    58_B     0.312     0    0.078   1.105     2.937  100.000   88.844
LGA    A    59_B      A    59_B     0.467     0    0.016   0.032     0.659   95.238   96.190
LGA    T    60_B      T    60_B     0.527     0    0.043   0.047     0.655   97.619   94.558
LGA    I    61_B      I    61_B     0.206     0    0.043   0.118     0.647  100.000   98.810
LGA    S    62_B      S    62_B     0.596     0    0.059   0.728     1.669   97.619   92.302
LGA    G    63_B      G    63_B     0.481     0    0.058   0.058     0.670   95.238   95.238
LGA    L    64_B      L    64_B     0.448     0    0.068   0.106     0.610   97.619   98.810
LGA    K    65_B      K    65_B     0.550     2    0.055   0.664     2.137   90.476   65.556
LGA    P    66_B      P    66_B     0.414     0    0.034   0.076     0.739  100.000   95.918
LGA    G    67_B      G    67_B     0.460     0    0.172   0.172     0.587   97.619   97.619
LGA    V    68_B      V    68_B     0.252     0    0.037   0.053     0.608  100.000   98.639
LGA    D    69_B      D    69_B     0.170     0    0.047   0.295     1.209   97.619   92.976
LGA    Y    70_B      Y    70_B     0.170     0    0.042   0.090     0.574  100.000   99.206
LGA    T    71_B      T    71_B     0.267     0    0.040   0.090     0.362  100.000  100.000
LGA    I    72_B      I    72_B     0.371     0    0.052   0.358     1.517  100.000   94.226
LGA    T    73_B      T    73_B     0.415     0    0.045   0.090     0.517   97.619   98.639
LGA    V    74_B      V    74_B     0.330     0    0.027   0.033     0.419  100.000  100.000
LGA    Y    75_B      Y    75_B     0.194     0    0.046   0.061     0.661  100.000   98.413
LGA    A    76_B      A    76_B     0.303     0    0.099   0.103     0.752   97.619   98.095
LGA    E    77_B      E    77_B     0.435     0    0.062   0.709     3.642  100.000   81.587
LGA    H    78_B      H    78_B     0.497     0    0.147   0.257     2.245   90.833   80.143
LGA    P    79_B      P    79_B     1.653     0    0.030   0.163     2.856   81.548   74.422
LGA    Y    80_B      Y    80_B     2.971     0    0.633   0.535    10.673   62.976   28.214
LGA    Y    81_B      Y    81_B     3.527     0    0.531   1.533    13.814   37.857   17.381
LGA    D    82_B      D    82_B     7.549     0    0.036   0.865    11.186    7.619    4.167
LGA    P    83_B      P    83_B    12.669     0    0.027   0.311    15.718    0.000    0.000
LGA    S    84_B      S    84_B    16.818     0    0.194   0.182    18.348    0.000    0.000
LGA    S    85_B      S    85_B    13.547     0    0.060   0.090    14.116    0.000    0.000
LGA    S    86_B      S    86_B    12.789     0    0.068   0.077    14.226    0.000    0.000
LGA    Y    87_B      Y    87_B     7.814     0    0.126   0.357    12.986    8.571    3.254
LGA    Y    88_B      Y    88_B     4.307     0    0.053   1.413    12.420   39.167   18.690
LGA    F    89_B      F    89_B     1.855     0    0.103   1.292     6.151   75.119   53.983
LGA    S    90_B      S    90_B     1.490     0    0.073   0.735     2.456   83.810   78.810
LGA    S    91_B      S    91_B     0.350     0    0.044   0.132     0.708   95.238   96.825
LGA    K    92_B      K    92_B     0.548     0    0.057   0.166     2.495   97.619   85.873
LGA    P    93_B      P    93_B     0.415     0    0.028   0.082     0.887   97.619   94.558
LGA    I    94_B      I    94_B     0.460     0    0.038   0.075     0.516  100.000   97.619
LGA    S    95_B      S    95_B     0.352     0    0.045   0.650     2.015  100.000   94.127
LGA    I    96_B      I    96_B     0.329     0    0.049   0.119     0.846  100.000   96.429
LGA    N    97_B      N    97_B     0.236     0    0.032   0.260     0.664  100.000   97.619
LGA    Y    98_B      Y    98_B     0.252     0    0.039   0.083     0.464  100.000  100.000
LGA    R    99_B      R    99_B     0.403     3    0.066   0.468     1.408   97.619   67.576
LGA    T   100_B      T   100_B     0.400     0    0.348   0.397     2.007   88.810   90.884
LGA    P   101_B      P   101_B     1.396     0    0.651   0.531     4.021   79.524   66.054

# 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):     3.048          3.037                  3.465           79.427   73.595

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101  106    4.0     92    1.14    82.075    79.090     7.399

LGA_LOCAL      RMSD:   1.143  Number of atoms:   92  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.313  Number of assigned atoms:  100 
Std_ASGN_ATOMS RMSD:   3.048  Standard rmsd on all 100 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.120706 * X  +   0.987343 * Y  +  -0.102877 * Z  +  -1.796404
  Y_new =   0.813113 * X  +   0.157788 * Y  +   0.560312 * Z  +   2.343288
  Z_new =   0.569453 * X  +  -0.016017 * Y  +  -0.821868 * Z  +  48.350967 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.718170 -0.605841 -3.122106   [DEG:   98.4439  -34.7121 -178.8835 ]
ZXZ: -2.960009  2.535478  1.598916   [DEG: -169.5960  145.2722   91.6112 ]
 
# END of job
