
#######################################################
#                                                     #
#                        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       3.70     3.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       2_B - 82_B        1.80     3.99
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.98     3.92
  LCS_AVERAGE:     61.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       4_B - 80_B        0.88     3.96
  LCS_AVERAGE:     55.46

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      4   81  106      3    3    4    4   14   24   29   49   89   90   92   94   96   97  100  100  101  103  105  105 
LCS_GDT     V     3_B     V     3_B      4   81  106      3    3    4    4   62   72   79   87   90   93   95   96   97   98  100  102  102  105  105  105 
LCS_GDT     S     4_B     S     4_B     77   81  106      6   17   72   85   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     D     5_B     D     5_B     77   81  106      6   32   72   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     V     6_B     V     6_B     77   81  106     43   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P     7_B     P     7_B     77   81  106     61   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     R     8_B     R     8_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     D     9_B     D     9_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     L    10_B     L    10_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     E    11_B     E    11_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     V    12_B     V    12_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     V    13_B     V    13_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     A    14_B     A    14_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     A    15_B     A    15_B     77   81  106     58   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     T    16_B     T    16_B     77   81  106     58   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P    17_B     P    17_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     T    18_B     T    18_B     77   81  106     28   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    19_B     S    19_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     L    20_B     L    20_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     L    21_B     L    21_B     77   81  106     58   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     I    22_B     I    22_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    23_B     S    23_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     W    24_B     W    24_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     D    25_B     D    25_B     77   81  106     16   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     A    26_B     A    26_B     77   81  106     11   78   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P    27_B     P    27_B     77   81  106      9   60   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P    28_B     P    28_B     77   81  106      5   35   68   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     77   81  106      4   42   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    30_B     Y    30_B     77   81  106     11   77   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     V    31_B     V    31_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     R    32_B     R    32_B     77   81  106     58   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    33_B     Y    33_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    34_B     Y    34_B     77   81  106     60   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     R    35_B     R    35_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     I    36_B     I    36_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     T    37_B     T    37_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    38_B     Y    38_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     G    39_B     G    39_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     E    40_B     E    40_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     T    41_B     T    41_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     G    42_B     G    42_B     77   81  106     60   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     G    43_B     G    43_B     77   81  106      4   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     N    44_B     N    44_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    45_B     S    45_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P    46_B     P    46_B     77   81  106     48   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     V    47_B     V    47_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Q    48_B     Q    48_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     E    49_B     E    49_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     F    50_B     F    50_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     T    51_B     T    51_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     V    52_B     V    52_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P    53_B     P    53_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     G    54_B     G    54_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    55_B     S    55_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     K    56_B     K    56_B     77   81  106     60   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    57_B     S    57_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     T    58_B     T    58_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     A    59_B     A    59_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     T    60_B     T    60_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     I    61_B     I    61_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    62_B     S    62_B     77   81  106     58   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     G    63_B     G    63_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     L    64_B     L    64_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     K    65_B     K    65_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P    66_B     P    66_B     77   81  106     34   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     G    67_B     G    67_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     V    68_B     V    68_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     D    69_B     D    69_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    70_B     Y    70_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     T    71_B     T    71_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     I    72_B     I    72_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     T    73_B     T    73_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     V    74_B     V    74_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    75_B     Y    75_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     A    76_B     A    76_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     E    77_B     E    77_B     77   81  106     58   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     H    78_B     H    78_B     77   81  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P    79_B     P    79_B     77   81  106      6   57   81   85   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    80_B     Y    80_B     77   81  106      4   63   84   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    81_B     Y    81_B     52   81  106      3    4    8   26   75   85   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     D    82_B     D    82_B      3   81  106      3    4    8   14   27   43   80   90   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P    83_B     P    83_B      5   81  106      3    5    5    8   12   17   25   43   66   76   87   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    84_B     S    84_B      5    6  106      3    5    5   18   22   30   34   45   80   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    85_B     S    85_B      5    6  106      3    5    5    6    8   11   16   20   27   60   69   79   84   98  100  101  102  105  105  105 
LCS_GDT     S    86_B     S    86_B      5    6  106      3    5    5    6   10   11   16   20   28   38   42   70   84   88   98  101  102  105  105  105 
LCS_GDT     Y    87_B     Y    87_B      5    6  106      3    5    5    5   22   30   34   45   83   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    88_B     Y    88_B      3   16  106      3    4   11   30   79   85   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     F    89_B     F    89_B     14   16  106      7   20   81   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    90_B     S    90_B     14   16  106     16   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    91_B     S    91_B     14   16  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     K    92_B     K    92_B     14   16  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P    93_B     P    93_B     14   16  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     I    94_B     I    94_B     14   16  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     S    95_B     S    95_B     14   16  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     I    96_B     I    96_B     14   16  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     N    97_B     N    97_B     14   16  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     Y    98_B     Y    98_B     14   16  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     R    99_B     R    99_B     14   16  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     T   100_B     T   100_B     14   16  106     62   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     P   101_B     P   101_B     14   16  106     60   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     H   102_B     H   102_B     14   16  106     60   81   85   87   90   91   91   93   93   94   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     H   103_B     H   103_B      3   16  106      3    3    3    8   61   72   84   92   92   92   95   96   98   98  100  102  102  105  105  105 
LCS_GDT     H   104_B     H   104_B      3    4  106      3    3    3    4    6    7   20   25   52   60   89   93   94   94   99  100  101  105  105  105 
LCS_GDT     H   105_B     H   105_B      3    4  106      3    3    3    5   11   17   24   29   36   49   55   82   89   95   96  102  102  105  105  105 
LCS_GDT     H   106_B     H   106_B      3    4  106      3    3    5   20   27   33   39   42   46   50   74   82   94   95   96  102  102  105  105  105 
LCS_GDT     H   107_B     H   107_B      3    4  106      3    3   12   20   27   33   39   42   46   54   74   82   94   95   97  102  102  105  105  105 
LCS_AVERAGE  LCS_A:  72.40  (  55.46   61.75  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     62     81     85     87     90     91     91     93     93     94     95     96     98     98    100    102    102    105    105    105 
GDT PERCENT_AT  58.49  76.42  80.19  82.08  84.91  85.85  85.85  87.74  87.74  88.68  89.62  90.57  92.45  92.45  94.34  96.23  96.23  99.06  99.06  99.06
GDT RMS_LOCAL    0.30   0.44   0.56   0.68   0.82   0.87   0.87   1.21   1.21   1.46   1.60   1.92   2.28   2.26   2.54   3.24   3.05   3.60   3.60   3.60
GDT RMS_ALL_AT   3.95   3.95   3.95   3.97   3.97   3.95   3.95   3.91   3.91   3.89   3.90   3.86   3.83   3.87   3.83   3.71   3.76   3.71   3.71   3.71

# 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:  Y    34_B      Y    34_B
#   possible swapping detected:  Y    38_B      Y    38_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    81_B      Y    81_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     8.594     0    0.233   0.233     8.594    8.214    8.214
LGA    V     3_B      V     3_B     6.830     0    0.139   1.320     9.800   22.262   14.830
LGA    S     4_B      S     4_B     3.268     0    0.245   0.784     5.045   48.571   41.984
LGA    D     5_B      D     5_B     2.798     0    0.401   0.340     4.050   52.143   51.071
LGA    V     6_B      V     6_B     0.951     0    0.040   0.105     1.094   88.214   86.599
LGA    P     7_B      P     7_B     0.231     0    0.064   0.188     1.140  100.000   95.986
LGA    R     8_B      R     8_B     0.548     0    0.045   1.071     2.512   95.238   81.169
LGA    D     9_B      D     9_B     0.707     0    0.032   0.759     3.732   90.476   75.357
LGA    L    10_B      L    10_B     0.340     0    0.023   0.835     3.201  100.000   88.036
LGA    E    11_B      E    11_B     0.407     0    0.061   0.804     2.775  100.000   82.646
LGA    V    12_B      V    12_B     0.438     0    0.020   0.084     0.732  100.000   97.279
LGA    V    13_B      V    13_B     0.394     0    0.040   0.080     0.897   95.238   94.558
LGA    A    14_B      A    14_B     0.758     0    0.028   0.038     0.835   90.476   90.476
LGA    A    15_B      A    15_B     0.861     0    0.032   0.047     0.925   90.476   90.476
LGA    T    16_B      T    16_B     0.785     0    0.054   1.005     2.611   90.476   82.041
LGA    P    17_B      P    17_B     0.300     0    0.059   0.098     0.836  100.000   97.279
LGA    T    18_B      T    18_B     0.855     0    0.207   1.177     3.030   92.857   83.469
LGA    S    19_B      S    19_B     0.219     0    0.067   0.656     1.933   97.619   92.302
LGA    L    20_B      L    20_B     0.505     0    0.050   0.140     0.720   95.238   96.429
LGA    L    21_B      L    21_B     0.720     0    0.020   0.972     2.532   90.476   83.095
LGA    I    22_B      I    22_B     0.524     0    0.065   1.115     2.457   90.476   82.024
LGA    S    23_B      S    23_B     0.338     0    0.035   0.056     0.406  100.000  100.000
LGA    W    24_B      W    24_B     0.436     0    0.043   0.134     0.559   97.619   98.639
LGA    D    25_B      D    25_B     0.921     0    0.026   0.187     1.081   90.476   89.345
LGA    A    26_B      A    26_B     1.417     0    0.091   0.098     1.729   77.143   76.286
LGA    P    27_B      P    27_B     1.755     0    0.040   0.206     2.112   68.810   70.544
LGA    P    28_B      P    28_B     2.669     0    0.701   0.771     4.835   52.619   50.680
LGA    Y    29_B      Y    29_B     1.969     0    0.155   1.372    10.164   68.810   40.794
LGA    Y    30_B      Y    30_B     1.562     0    0.092   1.310     6.761   77.143   60.635
LGA    V    31_B      V    31_B     0.433     0    0.058   0.097     0.873   97.619   97.279
LGA    R    32_B      R    32_B     0.744     0    0.071   0.699     4.182   90.476   69.524
LGA    Y    33_B      Y    33_B     0.575     0    0.080   1.421     7.015   95.238   66.032
LGA    Y    34_B      Y    34_B     0.543     0    0.063   0.136     0.694   92.857   94.444
LGA    R    35_B      R    35_B     0.191     0    0.023   1.305     3.939  100.000   81.948
LGA    I    36_B      I    36_B     0.379     0    0.020   0.332     1.375  100.000   95.298
LGA    T    37_B      T    37_B     0.223     0    0.036   0.148     0.530  100.000   98.639
LGA    Y    38_B      Y    38_B     0.121     0    0.017   0.213     0.428  100.000  100.000
LGA    G    39_B      G    39_B     0.181     0    0.035   0.035     0.193  100.000  100.000
LGA    E    40_B      E    40_B     0.214     0    0.032   0.528     2.143  100.000   87.037
LGA    T    41_B      T    41_B     0.291     0    0.037   1.099     2.661  100.000   88.844
LGA    G    42_B      G    42_B     0.578     0    0.279   0.279     2.003   86.429   86.429
LGA    G    43_B      G    43_B     0.643     0    0.069   0.069     0.643   92.857   92.857
LGA    N    44_B      N    44_B     0.599     3    0.188   0.183     1.082   90.476   55.417
LGA    S    45_B      S    45_B     0.509     0    0.084   0.572     1.720   90.476   87.540
LGA    P    46_B      P    46_B     1.088     0    0.062   0.097     1.330   88.214   86.599
LGA    V    47_B      V    47_B     0.673     0    0.044   1.110     2.775   90.476   82.041
LGA    Q    48_B      Q    48_B     0.456     0    0.025   0.156     0.943  100.000   96.825
LGA    E    49_B      E    49_B     0.300     0    0.035   0.610     1.625  100.000   91.746
LGA    F    50_B      F    50_B     0.314     0    0.047   0.200     1.041  100.000   95.714
LGA    T    51_B      T    51_B     0.235     0    0.041   0.096     0.644  100.000   98.639
LGA    V    52_B      V    52_B     0.450     0    0.061   1.286     3.128   97.619   85.102
LGA    P    53_B      P    53_B     0.116     0    0.052   0.125     0.517  100.000   98.639
LGA    G    54_B      G    54_B     0.184     0    0.093   0.093     0.485  100.000  100.000
LGA    S    55_B      S    55_B     0.251     0    0.130   0.125     0.691   97.619   98.413
LGA    K    56_B      K    56_B     0.332     0    0.082   0.783     3.538   92.976   83.386
LGA    S    57_B      S    57_B     0.327     0    0.072   0.073     0.800   97.619   98.413
LGA    T    58_B      T    58_B     0.112     0    0.015   0.068     0.349  100.000  100.000
LGA    A    59_B      A    59_B     0.324     0    0.032   0.054     0.456  100.000  100.000
LGA    T    60_B      T    60_B     0.381     0    0.029   0.109     0.839  100.000   95.918
LGA    I    61_B      I    61_B     0.284     0    0.041   0.066     0.782  100.000   97.619
LGA    S    62_B      S    62_B     0.685     0    0.048   0.684     1.354   92.857   89.048
LGA    G    63_B      G    63_B     0.529     0    0.124   0.124     0.746   92.857   92.857
LGA    L    64_B      L    64_B     0.276     0    0.039   0.082     0.812  100.000   97.619
LGA    K    65_B      K    65_B     0.509     2    0.052   0.141     0.892   92.857   73.545
LGA    P    66_B      P    66_B     0.722     0    0.043   0.237     1.041   90.476   89.184
LGA    G    67_B      G    67_B     0.350     0    0.061   0.061     0.525   97.619   97.619
LGA    V    68_B      V    68_B     0.263     0    0.038   0.155     0.633  100.000   98.639
LGA    D    69_B      D    69_B     0.285     0    0.051   0.886     3.946  100.000   83.155
LGA    Y    70_B      Y    70_B     0.307     0    0.019   0.058     0.925  100.000   96.032
LGA    T    71_B      T    71_B     0.243     0    0.037   0.109     0.589  100.000   98.639
LGA    I    72_B      I    72_B     0.362     0    0.016   0.341     1.858  100.000   93.036
LGA    T    73_B      T    73_B     0.388     0    0.021   0.058     0.482  100.000  100.000
LGA    V    74_B      V    74_B     0.349     0    0.032   0.087     0.443  100.000  100.000
LGA    Y    75_B      Y    75_B     0.272     0    0.025   0.104     0.982  100.000   95.238
LGA    A    76_B      A    76_B     0.375     0    0.055   0.090     0.585   97.619   98.095
LGA    E    77_B      E    77_B     0.612     0    0.037   0.386     2.523   97.619   85.979
LGA    H    78_B      H    78_B     0.366     0    0.648   1.150     5.927   88.810   66.714
LGA    P    79_B      P    79_B     2.314     0    0.102   0.353     5.352   61.429   48.639
LGA    Y    80_B      Y    80_B     2.614     0    0.103   1.359    12.099   53.095   28.016
LGA    Y    81_B      Y    81_B     5.661     0    0.516   1.350    10.950   22.381   11.508
LGA    D    82_B      D    82_B     8.283     0    0.610   1.331    10.075    6.190    4.702
LGA    P    83_B      P    83_B    11.294     0    0.682   0.565    15.324    0.476    0.272
LGA    S    84_B      S    84_B     9.313     0    0.399   0.650    10.434    0.595    0.714
LGA    S    85_B      S    85_B    10.423     0    0.142   0.529    11.106    0.476    0.317
LGA    S    86_B      S    86_B    11.383     0    0.148   0.664    13.547    0.000    0.000
LGA    Y    87_B      Y    87_B     9.639     0    0.577   0.584    15.617    0.833    0.317
LGA    Y    88_B      Y    88_B     5.445     0    0.169   1.535    11.485   32.500   14.762
LGA    F    89_B      F    89_B     2.140     0    0.222   1.166     3.820   71.190   63.203
LGA    S    90_B      S    90_B     1.106     0    0.129   0.849     2.721   83.810   78.968
LGA    S    91_B      S    91_B     0.284     0    0.031   0.053     0.532  100.000   98.413
LGA    K    92_B      K    92_B     0.330     0    0.038   0.838     4.479  100.000   82.222
LGA    P    93_B      P    93_B     0.509     0    0.031   0.370     1.681   92.857   89.320
LGA    I    94_B      I    94_B     0.582     0    0.030   0.508     2.333   95.238   89.643
LGA    S    95_B      S    95_B     0.426     0    0.035   0.056     0.584   97.619   96.825
LGA    I    96_B      I    96_B     0.455     0    0.029   0.652     2.638  100.000   92.262
LGA    N    97_B      N    97_B     0.405     0    0.024   1.110     3.385  100.000   85.774
LGA    Y    98_B      Y    98_B     0.141     0    0.094   0.271     0.932  100.000   96.825
LGA    R    99_B      R    99_B     0.299     3    0.045   0.605     2.386  100.000   63.117
LGA    T   100_B      T   100_B     0.065     0    0.064   0.167     0.449  100.000  100.000
LGA    P   101_B      P   101_B     0.509     0    0.048   0.407     0.735   95.238   94.558
LGA    H   102_B      H   102_B     0.541     0    0.383   0.336     8.962   77.619   42.619
LGA    H   103_B      H   103_B     6.957     0    0.618   1.362     9.957   13.929    6.429
LGA    H   104_B      H   104_B    10.903     5    0.583   0.598    11.930    0.714    0.286
LGA    H   105_B      H   105_B    13.049     0    0.607   1.561    18.525    0.000    0.000
LGA    H   106_B      H   106_B    14.147     0    0.195   0.549    15.973    0.000    0.000
LGA    H   107_B      H   107_B    14.603     0    0.147   0.738    17.279    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):     3.701          3.663                  4.405           80.462   74.129

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     93    1.21    85.613    80.014     7.118

LGA_LOCAL      RMSD:   1.206  Number of atoms:   93  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.910  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.701  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.104140 * X  +  -0.297744 * Y  +   0.948949 * Z  +   6.062589
  Y_new =   0.641655 * X  +  -0.749117 * Y  +  -0.164628 * Z  +  14.160721
  Z_new =   0.759891 * X  +   0.591753 * Y  +   0.269062 * Z  +  50.245590 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.731692 -0.863145  1.144053   [DEG:   99.2187  -49.4546   65.5494 ]
ZXZ:  1.399022  1.298378  0.909157   [DEG:   80.1580   74.3916   52.0909 ]
 
# END of job
