
#######################################################
#                                                     #
#                        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       3.12     3.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       2_B - 83_B        1.99     3.22
  LCS_AVERAGE:     63.35

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       2_B - 81_B        0.99     3.36
  LCS_AVERAGE:     59.93

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     80   82  106      0   25   84   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     V     3_B     V     3_B     80   82  106      3    4   67   81   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     S     4_B     S     4_B     80   82  106      3   24   74   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     D     5_B     D     5_B     80   82  106     11   50   84   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     V     6_B     V     6_B     80   82  106     37   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     P     7_B     P     7_B     80   82  106     67   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     R     8_B     R     8_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     D     9_B     D     9_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     L    10_B     L    10_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     E    11_B     E    11_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     V    12_B     V    12_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     V    13_B     V    13_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     A    14_B     A    14_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     A    15_B     A    15_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     T    16_B     T    16_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     P    17_B     P    17_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     T    18_B     T    18_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     S    19_B     S    19_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     L    20_B     L    20_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     L    21_B     L    21_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     I    22_B     I    22_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     S    23_B     S    23_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     W    24_B     W    24_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     D    25_B     D    25_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     A    26_B     A    26_B     80   82  106     67   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     P    27_B     P    27_B     80   82  106      9   73   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     P    28_B     P    28_B     80   82  106      3    6   58   87   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    29_B     Y    29_B     80   82  106     18   74   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    30_B     Y    30_B     80   82  106     32   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     V    31_B     V    31_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     R    32_B     R    32_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    33_B     Y    33_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    34_B     Y    34_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     R    35_B     R    35_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     I    36_B     I    36_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     T    37_B     T    37_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    38_B     Y    38_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     G    39_B     G    39_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     E    40_B     E    40_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     T    41_B     T    41_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     G    42_B     G    42_B     80   82  106     61   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     G    43_B     G    43_B     80   82  106     35   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     N    44_B     N    44_B     80   82  106      6   36   82   88   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     S    45_B     S    45_B     80   82  106      6   36   82   88   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     P    46_B     P    46_B     80   82  106      6   36   82   88   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     V    47_B     V    47_B     80   82  106     67   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Q    48_B     Q    48_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     E    49_B     E    49_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     F    50_B     F    50_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     T    51_B     T    51_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     V    52_B     V    52_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     P    53_B     P    53_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     G    54_B     G    54_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     S    55_B     S    55_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     K    56_B     K    56_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     S    57_B     S    57_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     T    58_B     T    58_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     A    59_B     A    59_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     T    60_B     T    60_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     I    61_B     I    61_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     S    62_B     S    62_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     G    63_B     G    63_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     L    64_B     L    64_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     K    65_B     K    65_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     P    66_B     P    66_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     G    67_B     G    67_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     V    68_B     V    68_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     D    69_B     D    69_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    70_B     Y    70_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     T    71_B     T    71_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     I    72_B     I    72_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     T    73_B     T    73_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     V    74_B     V    74_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    75_B     Y    75_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     A    76_B     A    76_B     80   82  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     E    77_B     E    77_B     80   82  106     67   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     H    78_B     H    78_B     80   82  106     69   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     P    79_B     P    79_B     80   82  106     32   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    80_B     Y    80_B     80   82  106      3   79   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    81_B     Y    81_B     80   82  106     20   73   83   88   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     D    82_B     D    82_B      6   82  106      4    5    6   14   24   38   60   92   98   99   99  100  100  101  101  103  104  104  105  105 
LCS_GDT     P    83_B     P    83_B      6   82  106      4    5    6    7    8    8   11   18   25   36   58   84   99  101  101  102  102  104  105  105 
LCS_GDT     S    84_B     S    84_B      6    9  106      4    5    6    7    9    9   10   11   14   18   21   24   36   51   67   97  102  102  102  103 
LCS_GDT     S    85_B     S    85_B      6    9  106      4    5    6    9   12   16   23   44   67   86   97   99  100  101  101  103  104  104  105  105 
LCS_GDT     S    86_B     S    86_B      6   19  106      3    4    6   14   26   47   85   94   98   99   99  100  100  102  102  103  104  104  105  105 
LCS_GDT     Y    87_B     Y    87_B     17   19  106      3    7   34   73   85   92   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    88_B     Y    88_B     17   19  106      6   36   80   88   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     F    89_B     F    89_B     17   19  106     35   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     S    90_B     S    90_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     S    91_B     S    91_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     K    92_B     K    92_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     P    93_B     P    93_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     I    94_B     I    94_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     S    95_B     S    95_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     I    96_B     I    96_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     N    97_B     N    97_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     Y    98_B     Y    98_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     R    99_B     R    99_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     T   100_B     T   100_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     P   101_B     P   101_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     H   102_B     H   102_B     17   19  106     71   80   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     H   103_B     H   103_B     17   19  106      6   47   85   89   93   96   96   97   98   99   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     H   104_B     H   104_B      4   19  106      3    4    7   19   33   83   95   97   97   98   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     H   105_B     H   105_B      4    6  106      3    4    5    6    6    6   11   12   18   40   48  100  101  102  102  103  104  104  105  105 
LCS_GDT     H   106_B     H   106_B      4    6  106      3    4   10   13   26   49   82   91   96   98   99  100  101  102  102  103  104  104  105  105 
LCS_GDT     H   107_B     H   107_B      3    3  106      0    3    3    3    3   20   65   84   95   98   99  100  101  102  102  103  104  104  105  105 
LCS_AVERAGE  LCS_A:  74.43  (  59.93   63.35  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     71     80     85     89     93     96     96     97     98     99     99    100    101    102    102    103    104    104    105    105 
GDT PERCENT_AT  66.98  75.47  80.19  83.96  87.74  90.57  90.57  91.51  92.45  93.40  93.40  94.34  95.28  96.23  96.23  97.17  98.11  98.11  99.06  99.06
GDT RMS_LOCAL    0.26   0.38   0.50   0.69   0.86   1.00   1.00   1.11   1.37   1.61   1.46   1.69   1.85   2.00   2.00   2.19   2.47   2.47   2.74   2.74
GDT RMS_ALL_AT   3.30   3.31   3.30   3.32   3.30   3.31   3.31   3.32   3.22   3.19   3.23   3.19   3.32   3.26   3.26   3.21   3.16   3.16   3.13   3.13

# Checking swapping
#   possible swapping detected:  D     5_B      D     5_B
#   possible swapping detected:  D     9_B      D     9_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  D    25_B      D    25_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  F    50_B      F    50_B
#   possible swapping detected:  D    69_B      D    69_B
#   possible swapping detected:  Y    70_B      Y    70_B
#   possible swapping detected:  E    77_B      E    77_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     2.106     0    0.213   0.213     2.497   64.762   64.762
LGA    V     3_B      V     3_B     3.111     0    0.063   0.348     4.314   57.500   52.449
LGA    S     4_B      S     4_B     2.454     0    0.023   0.645     3.874   62.857   58.651
LGA    D     5_B      D     5_B     2.114     0    0.368   1.253     3.201   61.071   67.143
LGA    V     6_B      V     6_B     1.009     0    0.020   1.051     3.066   85.952   76.054
LGA    P     7_B      P     7_B     0.352     0    0.055   0.157     1.212   97.619   94.626
LGA    R     8_B      R     8_B     0.304     0    0.024   1.417     5.243  100.000   77.749
LGA    D     9_B      D     9_B     0.590     0    0.017   0.797     3.548   90.476   75.357
LGA    L    10_B      L    10_B     0.307     0    0.053   0.065     0.398  100.000  100.000
LGA    E    11_B      E    11_B     0.332     0    0.014   0.108     0.955  100.000   96.825
LGA    V    12_B      V    12_B     0.362     0    0.047   0.067     0.442  100.000  100.000
LGA    V    13_B      V    13_B     0.498     0    0.135   1.109     3.188   97.619   87.483
LGA    A    14_B      A    14_B     0.498     0    0.027   0.027     0.752  100.000   98.095
LGA    A    15_B      A    15_B     0.289     0    0.053   0.061     0.358  100.000  100.000
LGA    T    16_B      T    16_B     0.344     0    0.058   0.130     0.528  100.000   98.639
LGA    P    17_B      P    17_B     0.403     0    0.059   0.064     0.586  100.000   98.639
LGA    T    18_B      T    18_B     0.394     0    0.032   0.110     0.532   97.619   97.279
LGA    S    19_B      S    19_B     0.259     0    0.031   0.659     1.863  100.000   93.889
LGA    L    20_B      L    20_B     0.151     0    0.030   0.098     0.346  100.000  100.000
LGA    L    21_B      L    21_B     0.391     0    0.068   0.082     0.756  100.000   96.429
LGA    I    22_B      I    22_B     0.384     0    0.017   0.085     0.467  100.000  100.000
LGA    S    23_B      S    23_B     0.306     0    0.013   0.590     2.313  100.000   94.127
LGA    W    24_B      W    24_B     0.318     0    0.019   0.059     0.659  100.000   95.918
LGA    D    25_B      D    25_B     0.416     0    0.063   0.064     0.618  100.000   96.429
LGA    A    26_B      A    26_B     0.433     0    0.042   0.052     1.270   92.976   92.476
LGA    P    27_B      P    27_B     1.547     0    0.038   0.118     1.847   77.262   79.116
LGA    P    28_B      P    28_B     2.914     0    0.695   0.591     5.172   49.524   49.796
LGA    Y    29_B      Y    29_B     1.440     0    0.096   1.297     9.616   79.286   46.667
LGA    Y    30_B      Y    30_B     0.723     0    0.017   0.265     1.516   90.476   89.048
LGA    V    31_B      V    31_B     0.397     0    0.020   0.026     0.494  100.000  100.000
LGA    R    32_B      R    32_B     0.792     0    0.052   0.272     2.736   90.476   76.494
LGA    Y    33_B      Y    33_B     0.458     0    0.086   1.403     7.817  100.000   63.532
LGA    Y    34_B      Y    34_B     0.417     0    0.071   0.051     0.530   97.619   99.206
LGA    R    35_B      R    35_B     0.348     0    0.060   0.732     3.143  100.000   92.078
LGA    I    36_B      I    36_B     0.456     0    0.027   0.082     0.569  100.000   98.810
LGA    T    37_B      T    37_B     0.248     0    0.025   0.112     0.565  100.000   98.639
LGA    Y    38_B      Y    38_B     0.134     0    0.015   0.054     0.216  100.000  100.000
LGA    G    39_B      G    39_B     0.131     0    0.026   0.026     0.204  100.000  100.000
LGA    E    40_B      E    40_B     0.322     0    0.049   0.539     2.215   97.619   85.979
LGA    T    41_B      T    41_B     0.368     0    0.054   0.094     0.682   95.238   97.279
LGA    G    42_B      G    42_B     0.996     0    0.191   0.191     2.329   81.786   81.786
LGA    G    43_B      G    43_B     1.266     0    0.176   0.176     1.475   83.690   83.690
LGA    N    44_B      N    44_B     2.579     3    0.029   0.026     3.199   59.048   35.774
LGA    S    45_B      S    45_B     2.386     0    0.077   0.724     3.413   68.929   65.079
LGA    P    46_B      P    46_B     2.466     0    0.031   0.057     3.796   66.905   58.707
LGA    V    47_B      V    47_B     0.673     0    0.068   1.177     2.787   90.595   80.816
LGA    Q    48_B      Q    48_B     0.248     0    0.058   1.157     3.195  100.000   86.561
LGA    E    49_B      E    49_B     0.171     0    0.028   0.305     1.740  100.000   92.804
LGA    F    50_B      F    50_B     0.147     0    0.027   0.073     0.319  100.000  100.000
LGA    T    51_B      T    51_B     0.165     0    0.023   0.108     0.648  100.000   98.639
LGA    V    52_B      V    52_B     0.447     0    0.057   1.281     2.925  100.000   88.844
LGA    P    53_B      P    53_B     0.390     0    0.015   0.034     0.568   97.619   98.639
LGA    G    54_B      G    54_B     0.504     0    0.012   0.012     0.627   92.857   92.857
LGA    S    55_B      S    55_B     0.656     0    0.016   0.026     0.778   90.476   90.476
LGA    K    56_B      K    56_B     0.642     0    0.009   0.590     2.469   90.476   84.762
LGA    S    57_B      S    57_B     0.397     0    0.035   0.092     0.508  100.000   98.413
LGA    T    58_B      T    58_B     0.396     0    0.016   0.043     0.549  100.000   98.639
LGA    A    59_B      A    59_B     0.367     0    0.036   0.045     0.613   97.619   98.095
LGA    T    60_B      T    60_B     0.321     0    0.045   0.050     0.385  100.000  100.000
LGA    I    61_B      I    61_B     0.188     0    0.039   0.076     0.398  100.000  100.000
LGA    S    62_B      S    62_B     0.321     0    0.026   0.638     1.668  100.000   93.889
LGA    G    63_B      G    63_B     0.297     0    0.032   0.032     0.355  100.000  100.000
LGA    L    64_B      L    64_B     0.378     0    0.035   0.060     0.487  100.000  100.000
LGA    K    65_B      K    65_B     0.323     2    0.028   0.043     0.351  100.000   77.778
LGA    P    66_B      P    66_B     0.309     0    0.024   0.039     0.650  100.000   97.279
LGA    G    67_B      G    67_B     0.350     0    0.043   0.043     0.371  100.000  100.000
LGA    V    68_B      V    68_B     0.257     0    0.030   0.045     0.389  100.000  100.000
LGA    D    69_B      D    69_B     0.335     0    0.033   0.382     1.161  100.000   96.488
LGA    Y    70_B      Y    70_B     0.236     0    0.020   0.157     0.551  100.000   98.413
LGA    T    71_B      T    71_B     0.321     0    0.061   0.064     0.386  100.000  100.000
LGA    I    72_B      I    72_B     0.340     0    0.046   0.285     1.176  100.000   97.679
LGA    T    73_B      T    73_B     0.308     0    0.031   0.045     0.412  100.000  100.000
LGA    V    74_B      V    74_B     0.217     0    0.007   0.035     0.294  100.000  100.000
LGA    Y    75_B      Y    75_B     0.197     0    0.094   0.125     0.624  100.000   98.413
LGA    A    76_B      A    76_B     0.637     0    0.097   0.106     0.832   92.857   92.381
LGA    E    77_B      E    77_B     0.708     0    0.049   0.798     4.556   90.476   74.921
LGA    H    78_B      H    78_B     0.468     0    0.161   0.324     0.834   97.619   93.333
LGA    P    79_B      P    79_B     0.858     0    0.024   0.220     2.181   95.238   86.939
LGA    Y    80_B      Y    80_B     1.161     0    0.637   1.403     5.094   69.762   59.167
LGA    Y    81_B      Y    81_B     2.790     0    0.560   1.243     7.143   40.357   48.571
LGA    D    82_B      D    82_B     9.638     0    0.089   1.075    15.646    3.571    1.786
LGA    P    83_B      P    83_B    13.416     0    0.062   0.123    15.963    0.000    0.000
LGA    S    84_B      S    84_B    17.373     0    0.208   0.194    19.684    0.000    0.000
LGA    S    85_B      S    85_B    12.735     0    0.033   0.090    13.782    0.000    0.000
LGA    S    86_B      S    86_B     8.148     0    0.091   0.488     9.803   12.143    9.683
LGA    Y    87_B      Y    87_B     5.745     0    0.156   0.348    10.080   20.595    9.603
LGA    Y    88_B      Y    88_B     2.853     0    0.065   1.405     6.543   57.262   46.310
LGA    F    89_B      F    89_B     1.366     0    0.102   1.168     6.592   81.548   57.143
LGA    S    90_B      S    90_B     0.687     0    0.029   0.577     2.075   88.214   84.683
LGA    S    91_B      S    91_B     0.645     0    0.022   0.037     0.753   95.238   93.651
LGA    K    92_B      K    92_B     0.438     0    0.080   0.115     1.558   95.238   88.624
LGA    P    93_B      P    93_B     0.287     0    0.044   0.075     0.568  100.000   97.279
LGA    I    94_B      I    94_B     0.372     0    0.058   1.170     2.753  100.000   84.881
LGA    S    95_B      S    95_B     0.467     0    0.024   0.681     2.104  100.000   92.540
LGA    I    96_B      I    96_B     0.372     0    0.012   0.068     0.541  100.000   98.810
LGA    N    97_B      N    97_B     0.309     0    0.059   0.143     0.552  100.000   98.810
LGA    Y    98_B      Y    98_B     0.368     0    0.009   0.064     0.574  100.000   96.825
LGA    R    99_B      R    99_B     0.290     3    0.020   0.149     0.569  100.000   71.861
LGA    T   100_B      T   100_B     0.286     0    0.023   0.120     0.606  100.000   98.639
LGA    P   101_B      P   101_B     0.279     0    0.006   0.278     1.087  100.000   95.986
LGA    H   102_B      H   102_B     0.315     0    0.612   1.175     2.391   91.190   84.857
LGA    H   103_B      H   103_B     2.137     0    0.060   0.933     9.282   52.738   30.429
LGA    H   104_B      H   104_B     4.805     5    0.117   0.149     5.735   35.357   17.286
LGA    H   105_B      H   105_B     9.776     0    0.621   1.426    17.561    3.214    1.286
LGA    H   106_B      H   106_B     7.551     0    0.039   1.098     8.191    6.548    7.524
LGA    H   107_B      H   107_B     7.856     0    0.041   1.177    10.083    5.952    4.905

# 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):     3.118          3.090                  3.502           84.350   79.367

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     97    1.11    87.028    82.392     8.013

LGA_LOCAL      RMSD:   1.110  Number of atoms:   97  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.323  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.118  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.313675 * X  +   0.549066 * Y  +  -0.774683 * Z  +  16.573338
  Y_new =   0.915814 * X  +  -0.390421 * Y  +   0.094105 * Z  +  15.080771
  Z_new =  -0.250783 * X  +  -0.738985 * Y  +  -0.625308 * Z  +  53.232014 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.240810  0.253489 -2.273064   [DEG:   71.0932   14.5238 -130.2370 ]
ZXZ: -1.691679  2.246322 -2.814427   [DEG:  -96.9261  128.7048 -161.2548 ]
 
# END of job
