
#######################################################
#                                                     #
#                        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  107 (  851),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  830),  selected  106 , 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:   106       2_B - 107_B       4.06     4.06
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       2_B - 82_B        1.77     4.25
  LCS_AVERAGE:     61.79

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       5_B - 80_B        0.98     4.24
  LCS_AVERAGE:     54.92

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     29   81  106      4   44   69   82   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     V     3_B     V     3_B     39   81  106      4   11   44   74   87   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S     4_B     S     4_B     40   81  106      4   12   64   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     D     5_B     D     5_B     76   81  106     11   64   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     V     6_B     V     6_B     76   81  106     46   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P     7_B     P     7_B     76   81  106     56   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     R     8_B     R     8_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     D     9_B     D     9_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     L    10_B     L    10_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     E    11_B     E    11_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     V    12_B     V    12_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     V    13_B     V    13_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     A    14_B     A    14_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     A    15_B     A    15_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     T    16_B     T    16_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P    17_B     P    17_B     76   81  106     54   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     T    18_B     T    18_B     76   81  106     54   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S    19_B     S    19_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     L    20_B     L    20_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     L    21_B     L    21_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     I    22_B     I    22_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S    23_B     S    23_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     W    24_B     W    24_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     D    25_B     D    25_B     76   81  106     56   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     A    26_B     A    26_B     76   81  106     46   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P    27_B     P    27_B     76   81  106      3   69   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P    28_B     P    28_B     76   81  106      3    6   29   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    29_B     Y    29_B     76   81  106      4    6   80   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    30_B     Y    30_B     76   81  106     24   71   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     V    31_B     V    31_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     R    32_B     R    32_B     76   81  106     22   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    33_B     Y    33_B     76   81  106     28   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    34_B     Y    34_B     76   81  106     44   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     R    35_B     R    35_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     I    36_B     I    36_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     T    37_B     T    37_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    38_B     Y    38_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     G    39_B     G    39_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     E    40_B     E    40_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     T    41_B     T    41_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     G    42_B     G    42_B     76   81  106     31   76   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     G    43_B     G    43_B     76   81  106     46   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     N    44_B     N    44_B     76   81  106      4    7   26   68   86   90   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S    45_B     S    45_B     76   81  106      4   19   46   82   88   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P    46_B     P    46_B     76   81  106      4   19   63   82   88   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     V    47_B     V    47_B     76   81  106     37   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Q    48_B     Q    48_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     E    49_B     E    49_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     F    50_B     F    50_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     T    51_B     T    51_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     V    52_B     V    52_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P    53_B     P    53_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     G    54_B     G    54_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S    55_B     S    55_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     K    56_B     K    56_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S    57_B     S    57_B     76   81  106     36   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     T    58_B     T    58_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     A    59_B     A    59_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     T    60_B     T    60_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     I    61_B     I    61_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S    62_B     S    62_B     76   81  106     49   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     G    63_B     G    63_B     76   81  106     54   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     L    64_B     L    64_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     K    65_B     K    65_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P    66_B     P    66_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     G    67_B     G    67_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     V    68_B     V    68_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     D    69_B     D    69_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    70_B     Y    70_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     T    71_B     T    71_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     I    72_B     I    72_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     T    73_B     T    73_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     V    74_B     V    74_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    75_B     Y    75_B     76   81  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     A    76_B     A    76_B     76   81  106     57   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     E    77_B     E    77_B     76   81  106     28   76   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     H    78_B     H    78_B     76   81  106     45   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P    79_B     P    79_B     76   81  106     36   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    80_B     Y    80_B     76   81  106     28   60   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    81_B     Y    81_B      5   81  106      3   15   26   28   60   86   91   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     D    82_B     D    82_B      5   81  106      3    5    5    8   12   22   39   55   84   97   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P    83_B     P    83_B      5    9  106      3    5    5    6    8    9   11   14   17   24   39   55   94   99  101  101  102  102  102  102 
LCS_GDT     S    84_B     S    84_B      5    9  106      3    5    5    6    8    9   11   14   24   32   48   56   74   99  101  101  102  102  102  102 
LCS_GDT     S    85_B     S    85_B      5   16  106      3    4    5    6   27   44   73   93   96   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S    86_B     S    86_B      4   18  106      3    4    5   11   40   83   92   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    87_B     Y    87_B     15   18  106      3   53   80   84   88   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    88_B     Y    88_B     15   18  106      3   68   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     F    89_B     F    89_B     15   18  106     57   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S    90_B     S    90_B     15   18  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S    91_B     S    91_B     15   18  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     K    92_B     K    92_B     15   18  106     56   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P    93_B     P    93_B     15   18  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     I    94_B     I    94_B     15   18  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     S    95_B     S    95_B     15   18  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     I    96_B     I    96_B     15   18  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     N    97_B     N    97_B     15   18  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     Y    98_B     Y    98_B     15   18  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     R    99_B     R    99_B     15   18  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     T   100_B     T   100_B     15   18  106     58   77   82   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     P   101_B     P   101_B     15   18  106      7   31   78   85   89   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     H   102_B     H   102_B     15   18  106      8   21   63   84   88   92   94   95   97   98   99   99   99  100  101  101  102  102  102  102 
LCS_GDT     H   103_B     H   103_B      4   18  106      3    4   14   33   81   90   93   94   96   97   98   99   99  100  100  100  102  102  102  102 
LCS_GDT     H   104_B     H   104_B      4    7  106      3    4    5    7    8   10   11   16   28   77   88   96   97   97   98   99   99   99  101  101 
LCS_GDT     H   105_B     H   105_B      4    7  106      3    4    5    7    8   10   11   13   14   14   16   55   76   85   97   98   99   99   99  101 
LCS_GDT     H   106_B     H   106_B      3    7  106      3    3    4    6    8   10   11   13   14   14   16   18   18   20   29   31   35   55   93  100 
LCS_GDT     H   107_B     H   107_B      3    3  106      3    3    3    3    4    5    6    7   11   13   16   18   20   27   68   85   92   96   99  100 
LCS_AVERAGE  LCS_A:  72.24  (  54.92   61.79  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     58     77     82     85     89     92     94     95     97     98     99     99     99    100    101    101    102    102    102    102 
GDT PERCENT_AT  54.72  72.64  77.36  80.19  83.96  86.79  88.68  89.62  91.51  92.45  93.40  93.40  93.40  94.34  95.28  95.28  96.23  96.23  96.23  96.23
GDT RMS_LOCAL    0.30   0.46   0.57   0.66   0.88   1.02   1.13   1.19   1.44   1.66   1.91   1.76   1.76   2.00   2.55   2.55   2.63   2.63   2.63   2.63
GDT RMS_ALL_AT   4.18   4.18   4.19   4.19   4.19   4.20   4.20   4.21   4.21   4.22   4.24   4.19   4.19   4.21   4.33   4.33   4.29   4.29   4.29   4.29

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  E    49_B      E    49_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     3.072     0    0.321   0.321     4.200   54.167   54.167
LGA    V     3_B      V     3_B     3.635     0    0.111   1.296     6.055   52.143   44.626
LGA    S     4_B      S     4_B     2.740     0    0.052   0.776     5.678   57.262   50.079
LGA    D     5_B      D     5_B     1.595     0    0.538   0.889     3.494   67.143   70.119
LGA    V     6_B      V     6_B     0.663     0    0.055   1.259     2.969   92.857   83.401
LGA    P     7_B      P     7_B     0.335     0    0.049   0.236     0.812  100.000   98.639
LGA    R     8_B      R     8_B     0.246     0    0.058   1.283     4.618  100.000   78.788
LGA    D     9_B      D     9_B     0.460     0    0.038   0.811     2.807  100.000   84.702
LGA    L    10_B      L    10_B     0.300     0    0.024   0.114     0.522  100.000   98.810
LGA    E    11_B      E    11_B     0.254     0    0.042   0.610     2.165  100.000   87.037
LGA    V    12_B      V    12_B     0.321     0    0.030   0.105     0.545   97.619   97.279
LGA    V    13_B      V    13_B     0.398     0    0.024   1.109     2.640   97.619   87.483
LGA    A    14_B      A    14_B     0.262     0    0.060   0.072     0.378  100.000  100.000
LGA    A    15_B      A    15_B     0.232     0    0.020   0.032     0.295  100.000  100.000
LGA    T    16_B      T    16_B     0.147     0    0.077   1.122     2.803   97.619   88.639
LGA    P    17_B      P    17_B     0.574     0    0.063   0.098     1.092   92.857   90.544
LGA    T    18_B      T    18_B     0.466     0    0.187   0.204     0.974   97.619   94.558
LGA    S    19_B      S    19_B     0.109     0    0.053   0.659     1.718  100.000   93.889
LGA    L    20_B      L    20_B     0.171     0    0.074   0.677     1.939  100.000   93.214
LGA    L    21_B      L    21_B     0.382     0    0.032   0.101     0.938  100.000   96.429
LGA    I    22_B      I    22_B     0.387     0    0.045   0.134     0.580   97.619   98.810
LGA    S    23_B      S    23_B     0.301     0    0.045   0.064     0.357  100.000  100.000
LGA    W    24_B      W    24_B     0.251     0    0.042   0.161     0.854  100.000   96.599
LGA    D    25_B      D    25_B     0.510     0    0.025   1.054     3.414   95.238   80.536
LGA    A    26_B      A    26_B     0.634     0    0.102   0.123     1.241   88.214   88.667
LGA    P    27_B      P    27_B     1.448     0    0.043   0.180     1.846   77.143   79.048
LGA    P    28_B      P    28_B     2.886     0    0.707   0.779     5.325   49.524   48.912
LGA    Y    29_B      Y    29_B     2.161     0    0.131   1.466    10.207   68.810   39.048
LGA    Y    30_B      Y    30_B     1.495     0    0.047   0.174     2.707   79.286   71.667
LGA    V    31_B      V    31_B     0.684     0    0.063   0.082     1.063   90.476   91.905
LGA    R    32_B      R    32_B     1.287     0    0.080   2.008     8.492   81.429   55.022
LGA    Y    33_B      Y    33_B     0.988     0    0.073   1.448     8.593   88.214   56.389
LGA    Y    34_B      Y    34_B     0.766     0    0.051   0.090     0.959   90.476   93.651
LGA    R    35_B      R    35_B     0.445     0    0.050   0.454     2.105   97.619   93.333
LGA    I    36_B      I    36_B     0.478     0    0.034   0.299     0.785  100.000   95.238
LGA    T    37_B      T    37_B     0.184     0    0.036   0.094     0.573  100.000   98.639
LGA    Y    38_B      Y    38_B     0.162     0    0.026   0.129     0.497  100.000  100.000
LGA    G    39_B      G    39_B     0.299     0    0.036   0.036     0.367  100.000  100.000
LGA    E    40_B      E    40_B     0.409     0    0.046   0.562     2.364   95.238   84.921
LGA    T    41_B      T    41_B     0.737     0    0.050   1.030     2.334   90.476   84.286
LGA    G    42_B      G    42_B     1.497     0    0.101   0.101     1.497   81.429   81.429
LGA    G    43_B      G    43_B     0.987     0    0.285   0.285     3.612   74.286   74.286
LGA    N    44_B      N    44_B     3.837     3    0.413   0.415     5.574   50.714   28.036
LGA    S    45_B      S    45_B     2.945     0    0.095   0.154     3.012   59.286   58.571
LGA    P    46_B      P    46_B     3.008     0    0.043   0.089     4.203   59.405   51.633
LGA    V    47_B      V    47_B     1.062     0    0.039   0.153     2.573   81.548   76.803
LGA    Q    48_B      Q    48_B     0.273     0    0.019   1.137     3.568  100.000   89.524
LGA    E    49_B      E    49_B     0.366     0    0.041   0.604     1.668  100.000   89.735
LGA    F    50_B      F    50_B     0.235     0    0.042   0.147     1.000  100.000   96.537
LGA    T    51_B      T    51_B     0.420     0    0.034   1.147     2.577   95.238   86.122
LGA    V    52_B      V    52_B     0.715     0    0.058   1.326     3.482   90.476   81.020
LGA    P    53_B      P    53_B     0.626     0    0.060   0.240     0.823   90.476   90.476
LGA    G    54_B      G    54_B     0.662     0    0.065   0.065     0.662   90.476   90.476
LGA    S    55_B      S    55_B     0.585     0    0.059   0.054     0.776   90.476   90.476
LGA    K    56_B      K    56_B     0.413     0    0.026   0.856     3.802   92.857   77.778
LGA    S    57_B      S    57_B     0.991     0    0.153   0.664     3.874   90.476   79.683
LGA    T    58_B      T    58_B     0.555     0    0.056   0.069     0.856   92.857   91.837
LGA    A    59_B      A    59_B     0.308     0    0.039   0.049     0.351  100.000  100.000
LGA    T    60_B      T    60_B     0.181     0    0.028   1.036     2.378  100.000   89.932
LGA    I    61_B      I    61_B     0.191     0    0.075   0.093     0.625  100.000   98.810
LGA    S    62_B      S    62_B     0.522     0    0.051   0.628     1.365   97.619   92.222
LGA    G    63_B      G    63_B     0.329     0    0.070   0.070     0.510   97.619   97.619
LGA    L    64_B      L    64_B     0.183     0    0.022   0.724     1.730  100.000   93.214
LGA    K    65_B      K    65_B     0.402     2    0.046   0.740     2.064  100.000   69.947
LGA    P    66_B      P    66_B     0.594     0    0.067   0.135     0.904   90.476   90.476
LGA    G    67_B      G    67_B     0.752     0    0.051   0.051     0.780   90.476   90.476
LGA    V    68_B      V    68_B     0.585     0    0.043   0.099     0.772   90.476   90.476
LGA    D    69_B      D    69_B     0.533     0    0.051   0.427     1.249   95.238   91.726
LGA    Y    70_B      Y    70_B     0.365     0    0.037   0.059     0.421  100.000  100.000
LGA    T    71_B      T    71_B     0.319     0    0.056   0.833     2.094  100.000   91.088
LGA    I    72_B      I    72_B     0.452     0    0.023   1.465     4.710  100.000   83.452
LGA    T    73_B      T    73_B     0.092     0    0.061   1.048     2.253  100.000   89.932
LGA    V    74_B      V    74_B     0.252     0    0.046   0.090     0.407  100.000  100.000
LGA    Y    75_B      Y    75_B     0.218     0    0.029   0.127     1.537  100.000   90.714
LGA    A    76_B      A    76_B     0.812     0    0.036   0.061     1.093   88.214   88.667
LGA    E    77_B      E    77_B     1.327     0    0.112   0.419     4.036   85.952   69.524
LGA    H    78_B      H    78_B     0.543     0    0.164   0.773     2.059   90.476   83.476
LGA    P    79_B      P    79_B     1.028     0    0.624   0.647     2.747   77.619   79.252
LGA    Y    80_B      Y    80_B     1.804     0    0.096   0.217    11.332   66.905   31.032
LGA    Y    81_B      Y    81_B     6.734     0    0.475   1.145    14.848   13.095    4.802
LGA    D    82_B      D    82_B    10.801     0    0.092   0.931    14.628    1.071    0.536
LGA    P    83_B      P    83_B    13.285     0    0.748   0.642    15.820    0.000    0.000
LGA    S    84_B      S    84_B    14.519     0    0.699   0.973    17.167    0.000    0.000
LGA    S    85_B      S    85_B     9.118     0    0.063   0.125    11.410    2.857    3.810
LGA    S    86_B      S    86_B     5.009     0    0.676   0.850     5.732   35.238   35.873
LGA    Y    87_B      Y    87_B     3.112     0    0.095   1.064    11.798   50.119   22.937
LGA    Y    88_B      Y    88_B     1.523     0    0.098   1.109     4.549   77.143   66.667
LGA    F    89_B      F    89_B     0.638     0    0.157   1.207     6.537   92.857   64.459
LGA    S    90_B      S    90_B     0.470     0    0.034   0.622     2.300   95.238   89.365
LGA    S    91_B      S    91_B     0.703     0    0.050   0.055     1.113   95.238   92.143
LGA    K    92_B      K    92_B     0.669     0    0.043   0.825     3.716   95.238   76.296
LGA    P    93_B      P    93_B     0.181     0    0.044   0.401     1.974  100.000   92.109
LGA    I    94_B      I    94_B     0.404     0    0.022   0.509     2.223  100.000   94.405
LGA    S    95_B      S    95_B     0.509     0    0.030   0.581     1.896   97.619   92.302
LGA    I    96_B      I    96_B     0.428     0    0.037   1.333     3.287  100.000   82.679
LGA    N    97_B      N    97_B     0.314     0    0.027   0.871     3.386  100.000   86.964
LGA    Y    98_B      Y    98_B     0.443     0    0.046   0.136     0.863   97.619   92.857
LGA    R    99_B      R    99_B     0.555     3    0.054   0.573     2.495   92.857   62.727
LGA    T   100_B      T   100_B     0.581     0    0.275   0.281     0.942   90.476   90.476
LGA    P   101_B      P   101_B     2.127     0    0.089   0.136     3.058   64.881   61.633
LGA    H   102_B      H   102_B     2.765     0    0.648   0.920     6.684   43.095   41.571
LGA    H   103_B      H   103_B     5.632     0    0.083   1.133     7.753   22.024   21.143
LGA    H   104_B      H   104_B    11.725     5    0.074   0.116    14.420    0.119    0.048
LGA    H   105_B      H   105_B    13.955     0    0.638   0.765    18.858    0.000    0.000
LGA    H   106_B      H   106_B    19.090     0    0.056   0.912    27.366    0.000    0.000
LGA    H   107_B      H   107_B    18.943     0    0.363   1.164    23.027    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     830    830  100.00               106
SUMMARY(RMSD_GDC):     4.055          4.076                  4.897           80.892   74.258

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     95    1.19    84.434    80.282     7.336

LGA_LOCAL      RMSD:   1.195  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.212  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   4.055  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.069726 * X  +  -0.455179 * Y  +   0.887665 * Z  + -99.803406
  Y_new =   0.577367 * X  +   0.707232 * Y  +   0.408008 * Z  +  38.294876
  Z_new =  -0.813502 * X  +   0.540957 * Y  +   0.213493 * Z  +  85.577881 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.690980  0.950149  1.194904   [DEG:   96.8860   54.4395   68.4630 ]
ZXZ:  2.001640  1.355647 -0.983967   [DEG:  114.6855   77.6729  -56.3771 ]
 
# END of job
