
#######################################################
#                                                     #
#                        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       3.62     3.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       2_B - 81_B        1.83     3.86
  LCS_AVERAGE:     60.27

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75       4_B - 78_B        0.96     3.98
  LONGEST_CONTINUOUS_SEGMENT:    75       5_B - 79_B        0.93     3.93
  LCS_AVERAGE:     53.84

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     10   80  106      4   21   53   73   89   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     V     3_B     V     3_B     10   80  106      4   21   36   73   89   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     S     4_B     S     4_B     75   80  106      4   17   37   74   90   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     D     5_B     D     5_B     75   80  106      9   63   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     V     6_B     V     6_B     75   80  106     33   77   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     P     7_B     P     7_B     75   80  106     47   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     R     8_B     R     8_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     D     9_B     D     9_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     L    10_B     L    10_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     E    11_B     E    11_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     V    12_B     V    12_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     V    13_B     V    13_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     A    14_B     A    14_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     A    15_B     A    15_B     75   80  106     42   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     T    16_B     T    16_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     P    17_B     P    17_B     75   80  106     10   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     T    18_B     T    18_B     75   80  106     27   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     S    19_B     S    19_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     L    20_B     L    20_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     L    21_B     L    21_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     I    22_B     I    22_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     S    23_B     S    23_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     W    24_B     W    24_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     D    25_B     D    25_B     75   80  106     48   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     A    26_B     A    26_B     75   80  106     37   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     P    27_B     P    27_B     75   80  106      9   68   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     P    28_B     P    28_B     75   80  106      4   24   58   85   90   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    29_B     Y    29_B     75   80  106     11   51   84   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    30_B     Y    30_B     75   80  106     20   71   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     V    31_B     V    31_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     R    32_B     R    32_B     75   80  106     49   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    33_B     Y    33_B     75   80  106     54   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    34_B     Y    34_B     75   80  106     42   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     R    35_B     R    35_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     I    36_B     I    36_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     T    37_B     T    37_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    38_B     Y    38_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     G    39_B     G    39_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     E    40_B     E    40_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     T    41_B     T    41_B     75   80  106     53   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     G    42_B     G    42_B     75   80  106     19   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     G    43_B     G    43_B     75   80  106     24   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     N    44_B     N    44_B     75   80  106     10   37   67   87   91   92   94   96   96   97   97   97   98  100  101  102  104  104  104  104 
LCS_GDT     S    45_B     S    45_B     75   80  106     18   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     P    46_B     P    46_B     75   80  106     19   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     V    47_B     V    47_B     75   80  106     48   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Q    48_B     Q    48_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     E    49_B     E    49_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     F    50_B     F    50_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     T    51_B     T    51_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     V    52_B     V    52_B     75   80  106     56   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     P    53_B     P    53_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     G    54_B     G    54_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     S    55_B     S    55_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     K    56_B     K    56_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     S    57_B     S    57_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     T    58_B     T    58_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     A    59_B     A    59_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     T    60_B     T    60_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     I    61_B     I    61_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     S    62_B     S    62_B     75   80  106     28   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     G    63_B     G    63_B     75   80  106     33   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     L    64_B     L    64_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     K    65_B     K    65_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     P    66_B     P    66_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     G    67_B     G    67_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     V    68_B     V    68_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     D    69_B     D    69_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    70_B     Y    70_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     T    71_B     T    71_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     I    72_B     I    72_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     T    73_B     T    73_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     V    74_B     V    74_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    75_B     Y    75_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     A    76_B     A    76_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     E    77_B     E    77_B     75   80  106     39   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     H    78_B     H    78_B     75   80  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     P    79_B     P    79_B     75   80  106      3   27   69   87   91   92   93   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    80_B     Y    80_B      4   80  106      3    4    4   11   17   64   77   93   94   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    81_B     Y    81_B      3   80  106      3    3    3    4    6    7    9   14   21   41   90   96   97   99  101  102  104  104  104  104 
LCS_GDT     D    82_B     D    82_B      4    6  106      0    4    4    7    9   12   14   25   29   82   90   95   97   99  100  102  104  104  104  104 
LCS_GDT     P    83_B     P    83_B      4    6  106      3    4    4    5   10   12   14   16   16   17   21   41   47   50   82   89  100  102  103  104 
LCS_GDT     S    84_B     S    84_B      4    6  106      3    4    4    7    7   11   14   16   16   20   24   33   43   50   52   89   97  101  103  104 
LCS_GDT     S    85_B     S    85_B      4    6  106      3    4    4    5    5    7    9   73   82   91   94   96   97   99  101  102  104  104  104  104 
LCS_GDT     S    86_B     S    86_B      3    6  106      3    3    6   12   14   23   64   82   90   95   96   96   98   99  101  102  104  104  104  104 
LCS_GDT     Y    87_B     Y    87_B     17   18  106     28   70   84   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    88_B     Y    88_B     17   18  106     48   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     F    89_B     F    89_B     17   18  106     10   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     S    90_B     S    90_B     17   18  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     S    91_B     S    91_B     17   18  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     K    92_B     K    92_B     17   18  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     P    93_B     P    93_B     17   18  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     I    94_B     I    94_B     17   18  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     S    95_B     S    95_B     17   18  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     I    96_B     I    96_B     17   18  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     N    97_B     N    97_B     17   18  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     Y    98_B     Y    98_B     17   18  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     R    99_B     R    99_B     17   18  106     58   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     T   100_B     T   100_B     17   18  106     47   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     P   101_B     P   101_B     17   18  106     28   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     H   102_B     H   102_B     17   18  106     42   78   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     H   103_B     H   103_B     17   18  106     26   69   85   89   91   92   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     H   104_B     H   104_B      4   18  106      3    4    4    5   24   69   94   96   96   97   97   97   99  100  101  102  104  104  104  104 
LCS_GDT     H   105_B     H   105_B      4    6  106      3    4    4    5    7   14   18   22   26   74   91   96   99  100  101  102  104  104  104  104 
LCS_GDT     H   106_B     H   106_B      3    6  106      3    3    3    4    6    6    8   12   47   50   54   88   99  100  101  101  104  104  104  104 
LCS_GDT     H   107_B     H   107_B      3    6  106      3    3    3    5    7   11   51   62   77   89   93   97   99  100  101  102  104  104  104  104 
LCS_AVERAGE  LCS_A:  71.37  (  53.84   60.27  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     78     85     89     91     92     94     96     96     97     97     97     99    100    101    102    104    104    104    104 
GDT PERCENT_AT  54.72  73.58  80.19  83.96  85.85  86.79  88.68  90.57  90.57  91.51  91.51  91.51  93.40  94.34  95.28  96.23  98.11  98.11  98.11  98.11
GDT RMS_LOCAL    0.31   0.48   0.61   0.74   0.84   0.91   1.12   1.25   1.25   1.39   1.39   1.39   2.25   2.27   2.42   2.58   3.02   3.02   3.02   3.02
GDT RMS_ALL_AT   3.92   3.95   3.95   3.93   3.91   3.91   3.99   3.96   3.96   3.92   3.92   3.92   3.86   3.86   3.80   3.70   3.66   3.66   3.66   3.66

# Checking swapping
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    87_B      Y    87_B
#   possible swapping detected:  Y    88_B      Y    88_B
#   possible swapping detected:  F    89_B      F    89_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     4.184     0    0.498   0.498     4.184   45.238   45.238
LGA    V     3_B      V     3_B     4.121     0    0.158   0.874     5.454   47.262   40.544
LGA    S     4_B      S     4_B     3.489     0    0.071   0.766     7.100   50.119   40.317
LGA    D     5_B      D     5_B     1.573     0    0.473   0.872     3.678   66.905   64.524
LGA    V     6_B      V     6_B     0.789     0    0.073   0.100     1.314   92.857   90.544
LGA    P     7_B      P     7_B     0.282     0    0.059   0.243     1.198  100.000   97.347
LGA    R     8_B      R     8_B     0.394     0    0.058   1.515     8.293  100.000   66.883
LGA    D     9_B      D     9_B     0.548     0    0.000   1.099     4.232   97.619   80.952
LGA    L    10_B      L    10_B     0.237     0    0.008   0.103     0.410  100.000  100.000
LGA    E    11_B      E    11_B     0.310     0    0.051   0.135     1.076  100.000   95.820
LGA    V    12_B      V    12_B     0.246     0    0.033   0.103     0.557  100.000   98.639
LGA    V    13_B      V    13_B     0.449     0    0.036   1.096     2.847  100.000   88.639
LGA    A    14_B      A    14_B     0.657     0    0.031   0.034     0.764   92.857   92.381
LGA    A    15_B      A    15_B     0.727     0    0.025   0.035     0.750   90.476   90.476
LGA    T    16_B      T    16_B     0.701     0    0.060   0.174     0.950   90.476   91.837
LGA    P    17_B      P    17_B     1.129     0    0.055   0.077     1.648   83.690   81.497
LGA    T    18_B      T    18_B     1.037     0    0.187   0.983     3.530   88.214   81.156
LGA    S    19_B      S    19_B     0.325     0    0.064   0.639     1.824   95.238   92.302
LGA    L    20_B      L    20_B     0.175     0    0.077   0.161     0.542  100.000   98.810
LGA    L    21_B      L    21_B     0.383     0    0.028   0.050     0.902  100.000   95.238
LGA    I    22_B      I    22_B     0.415     0    0.039   0.650     1.766   97.619   94.226
LGA    S    23_B      S    23_B     0.313     0    0.034   0.563     1.719  100.000   95.476
LGA    W    24_B      W    24_B     0.305     0    0.045   0.178     1.164  100.000   92.585
LGA    D    25_B      D    25_B     0.493     0    0.035   0.169     0.659   95.238   96.429
LGA    A    26_B      A    26_B     0.564     0    0.099   0.120     1.140   88.214   86.857
LGA    P    27_B      P    27_B     1.446     0    0.032   0.221     1.818   77.143   80.340
LGA    P    28_B      P    28_B     2.841     0    0.698   0.782     5.218   49.524   48.912
LGA    Y    29_B      Y    29_B     1.885     0    0.116   0.751     9.510   75.000   41.230
LGA    Y    30_B      Y    30_B     1.151     0    0.091   0.171     1.421   83.690   82.183
LGA    V    31_B      V    31_B     0.660     0    0.075   0.096     1.376   92.857   91.905
LGA    R    32_B      R    32_B     1.345     0    0.085   1.011     4.404   81.429   58.225
LGA    Y    33_B      Y    33_B     0.927     0    0.086   1.477     8.754   88.214   55.913
LGA    Y    34_B      Y    34_B     1.025     0    0.063   0.072     1.389   85.952   82.937
LGA    R    35_B      R    35_B     0.663     0    0.040   1.385     4.031   92.857   77.792
LGA    I    36_B      I    36_B     0.605     0    0.037   0.351     1.261   95.238   90.595
LGA    T    37_B      T    37_B     0.267     0    0.000   0.144     0.755  100.000   98.639
LGA    Y    38_B      Y    38_B     0.181     0    0.025   0.165     0.495  100.000  100.000
LGA    G    39_B      G    39_B     0.346     0    0.030   0.030     0.346  100.000  100.000
LGA    E    40_B      E    40_B     0.519     0    0.052   0.601     1.740   90.476   90.635
LGA    T    41_B      T    41_B     0.706     0    0.059   0.122     1.121   90.476   89.184
LGA    G    42_B      G    42_B     1.414     0    0.263   0.263     2.443   75.119   75.119
LGA    G    43_B      G    43_B     1.600     0    0.102   0.102     1.655   77.143   77.143
LGA    N    44_B      N    44_B     2.735     3    0.239   0.232     3.786   64.881   37.857
LGA    S    45_B      S    45_B     1.865     0    0.098   0.561     2.219   72.976   71.587
LGA    P    46_B      P    46_B     1.562     0    0.038   0.120     1.728   77.143   78.980
LGA    V    47_B      V    47_B     0.872     0    0.048   1.132     2.585   88.214   80.748
LGA    Q    48_B      Q    48_B     0.378     0    0.040   1.054     2.980  100.000   85.185
LGA    E    49_B      E    49_B     0.341     0    0.050   0.206     1.969  100.000   90.741
LGA    F    50_B      F    50_B     0.201     0    0.039   0.171     1.352   97.619   92.294
LGA    T    51_B      T    51_B     0.513     0    0.031   0.112     0.837   92.857   93.197
LGA    V    52_B      V    52_B     0.869     0    0.031   1.339     3.764   90.476   80.068
LGA    P    53_B      P    53_B     0.692     0    0.047   0.363     1.561   90.476   86.667
LGA    G    54_B      G    54_B     0.829     0    0.051   0.051     0.829   90.476   90.476
LGA    S    55_B      S    55_B     0.797     0    0.098   0.619     2.282   88.214   84.683
LGA    K    56_B      K    56_B     0.639     0    0.064   0.934     4.120   90.476   78.254
LGA    S    57_B      S    57_B     0.815     0    0.082   0.626     3.224   90.476   82.222
LGA    T    58_B      T    58_B     0.619     0    0.038   0.084     0.941   90.476   90.476
LGA    A    59_B      A    59_B     0.420     0    0.039   0.048     0.437  100.000  100.000
LGA    T    60_B      T    60_B     0.291     0    0.040   0.093     0.544  100.000   98.639
LGA    I    61_B      I    61_B     0.371     0    0.083   0.094     0.775   97.619   95.238
LGA    S    62_B      S    62_B     0.786     0    0.056   0.065     1.513   92.857   87.619
LGA    G    63_B      G    63_B     0.790     0    0.072   0.072     0.946   90.476   90.476
LGA    L    64_B      L    64_B     0.592     0    0.039   0.095     0.837   90.476   91.667
LGA    K    65_B      K    65_B     0.389     2    0.040   0.536     1.512  100.000   72.646
LGA    P    66_B      P    66_B     0.390     0    0.068   0.137     1.001  100.000   94.626
LGA    G    67_B      G    67_B     0.286     0    0.049   0.049     0.325  100.000  100.000
LGA    V    68_B      V    68_B     0.165     0    0.054   0.116     0.334  100.000  100.000
LGA    D    69_B      D    69_B     0.168     0    0.042   0.823     3.444  100.000   84.940
LGA    Y    70_B      Y    70_B     0.207     0    0.050   0.080     0.300  100.000  100.000
LGA    T    71_B      T    71_B     0.268     0    0.041   0.131     0.565  100.000   98.639
LGA    I    72_B      I    72_B     0.269     0    0.000   0.667     2.431  100.000   94.405
LGA    T    73_B      T    73_B     0.282     0    0.024   0.061     0.336  100.000  100.000
LGA    V    74_B      V    74_B     0.413     0    0.044   0.082     0.613  100.000   98.639
LGA    Y    75_B      Y    75_B     0.448     0    0.043   0.232     1.458   95.238   90.595
LGA    A    76_B      A    76_B     0.773     0    0.035   0.061     0.980   90.476   90.476
LGA    E    77_B      E    77_B     1.268     0    0.078   0.748     5.275   83.690   65.926
LGA    H    78_B      H    78_B     0.478     0    0.183   1.148     7.099   82.024   54.714
LGA    P    79_B      P    79_B     3.540     0    0.692   0.731     4.040   48.690   49.524
LGA    Y    80_B      Y    80_B     6.101     0    0.038   0.992    12.897   15.119    5.437
LGA    Y    81_B      Y    81_B    11.083     0    0.468   1.345    19.640    0.714    0.238
LGA    D    82_B      D    82_B    13.231     0    0.137   0.634    15.693    0.000    0.000
LGA    P    83_B      P    83_B    15.989     0    0.088   0.265    19.462    0.000    0.000
LGA    S    84_B      S    84_B    17.596     0    0.088   0.605    21.671    0.000    0.000
LGA    S    85_B      S    85_B    11.578     0    0.438   0.493    13.430    0.714    0.714
LGA    S    86_B      S    86_B     9.540     0    0.279   0.622    10.532    6.786    4.603
LGA    Y    87_B      Y    87_B     2.246     0    0.274   1.175     5.062   53.452   51.151
LGA    Y    88_B      Y    88_B     0.654     0    0.124   1.342    10.815   92.976   50.397
LGA    F    89_B      F    89_B     0.919     0    0.133   1.350     9.914   92.857   46.926
LGA    S    90_B      S    90_B     0.919     0    0.036   0.736     3.547   90.476   81.111
LGA    S    91_B      S    91_B     0.745     0    0.071   0.073     0.847   90.476   90.476
LGA    K    92_B      K    92_B     0.359     0    0.031   0.807     3.015  100.000   89.683
LGA    P    93_B      P    93_B     0.294     0    0.034   0.145     0.449  100.000  100.000
LGA    I    94_B      I    94_B     0.348     0    0.009   0.138     0.684  100.000   98.810
LGA    S    95_B      S    95_B     0.362     0    0.051   0.082     0.442  100.000  100.000
LGA    I    96_B      I    96_B     0.230     0    0.038   0.091     0.615  100.000   98.810
LGA    N    97_B      N    97_B     0.231     0    0.028   0.071     0.391  100.000  100.000
LGA    Y    98_B      Y    98_B     0.204     0    0.011   0.259     1.616  100.000   89.960
LGA    R    99_B      R    99_B     0.294     3    0.060   0.980     5.807  100.000   55.974
LGA    T   100_B      T   100_B     0.623     0    0.036   0.172     0.804   92.857   91.837
LGA    P   101_B      P   101_B     0.739     0    0.038   0.076     1.054   90.476   89.184
LGA    H   102_B      H   102_B     0.708     0    0.632   1.104     2.920   82.143   75.190
LGA    H   103_B      H   103_B     1.513     0    0.057   1.214     9.226   58.571   33.857
LGA    H   104_B      H   104_B     4.527     5    0.561   0.571     5.971   32.857   16.857
LGA    H   105_B      H   105_B    10.000     0    0.635   1.587    12.817    1.905    0.762
LGA    H   106_B      H   106_B    12.728     0    0.052   0.879    21.834    0.000    0.000
LGA    H   107_B      H   107_B    11.174     0    0.623   1.241    14.285    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):     3.618          3.583                  4.463           80.904   74.468

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     96    1.25    86.085    80.464     7.096

LGA_LOCAL      RMSD:   1.253  Number of atoms:   96  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.961  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.618  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.833526 * X  +   0.361410 * Y  +   0.417872 * Z  + -91.360420
  Y_new =   0.106138 * X  +   0.847019 * Y  +  -0.520859 * Z  +  17.592377
  Z_new =  -0.542189 * X  +  -0.389797 * Y  +  -0.744372 * Z  + 242.935196 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.014938  0.573040 -2.659197   [DEG:  172.7432   32.8328 -152.3608 ]
ZXZ:  0.676126  2.410390 -2.194116   [DEG:   38.7392  138.1052 -125.7136 ]
 
# END of job
