
#######################################################
#                                                     #
#                        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  121 (  938),  selected  103 , name one
# Molecule2: number of CA atoms  103 (  817),  selected  103 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66      23_A - 88_A        0.93     1.85
  LCS_AVERAGE:     44.88

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
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    13_A     G    13_A      6  103  103     15   46   82   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      6  103  103     15   53   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      6  103  103     30   65   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      6  103  103     27   63   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      6  103  103     27   64   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      6  103  103      7   44   69   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      5  103  103      4    4    6   12   25   42   67   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      4  103  103      4    4    4    7   28   88   93   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     14  103  103      4    5    6   18   28   43   77   94   95  100  101  102  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     53  103  103      7   16   52   76   91   92   94   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     66  103  103     14   46   80   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     66  103  103     10   46   80   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     66  103  103     20   59   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     66  103  103     22   64   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     66  103  103     27   64   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     66  103  103     22   64   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     66  103  103     21   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     66  103  103     16   51   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     66  103  103     20   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     66  103  103     25   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     66  103  103     23   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     66  103  103     23   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     66  103  103     26   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     66  103  103     26   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     66  103  103     29   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     66  103  103     26   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     66  103  103     22   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     66  103  103     21   62   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     66  103  103     27   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     66  103  103     13   45   81   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     66  103  103     21   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     66  103  103     17   64   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     66  103  103     17   61   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     66  103  103     17   52   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     66  103  103     21   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     66  103  103     23   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     66  103  103     17   59   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     66  103  103     16   44   79   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     66  103  103     19   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     66  103  103      4   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     66  103  103     20   51   82   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     66  103  103     23   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     66  103  103     26   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     66  103  103     28   65   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     66  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     66  103  103     28   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     66  103  103      3   33   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A      6  103  103      3    5    6   11   55   90   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A      6  103  103      3    5   22   53   82   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A      6  103  103      3   10   22   52   87   95   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     13  103  103     14   45   82   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     13  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     13  103  103     28   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     13  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     13  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     13  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     13  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     13  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     13  103  103     28   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     13  103  103     28   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     13  103  103      7   54   80   90   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     13  103  103      7   48   78   90   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     13  103  103      7   26   74   89   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A      6  103  103      3    4   14   19   29   42   90   97   99  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     10  103  103      4   35   74   88   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     10  103  103      7   63   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     10  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     10  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     10  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     10  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     10  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     10  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     10  103  103     30   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     10  103  103     19   66   83   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  81.63  (  44.88  100.00  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     30     66     83     91     93     96     97     98    100    101    102    102    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  29.13  64.08  80.58  88.35  90.29  93.20  94.17  95.15  97.09  98.06  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.64   0.83   0.97   1.03   1.17   1.23   1.31   1.44   1.53   1.64   1.64   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76
GDT RMS_ALL_AT   1.83   1.80   1.79   1.80   1.78   1.77   1.77   1.77   1.77   1.76   1.77   1.77   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  Y    79_A      Y    79_A
#   possible swapping detected:  E   101_A      E   101_A
#   possible swapping detected:  F   108_A      F   108_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.571     0    0.222   0.222     1.571   81.548   81.548
LGA    W    14_A      W    14_A     1.249     0    0.083   0.078     2.017   79.286   77.177
LGA    Q    15_A      Q    15_A     0.888     0    0.074   1.231     3.896   92.857   81.376
LGA    K    16_A      K    16_A     0.987     0    0.040   0.709     1.419   85.952   84.444
LGA    K    17_A      K    17_A     0.929     0    0.076   1.087     3.219   85.952   76.190
LGA    T    18_A      T    18_A     1.914     0    0.055   1.229     5.643   56.548   47.007
LGA    P    19_A      P    19_A     4.746     0    0.662   0.817     7.005   37.262   28.231
LGA    V    20_A      V    20_A     4.405     0    0.073   1.188     7.859   33.929   24.286
LGA    D    21_A      D    21_A     6.432     0    0.274   0.867     9.287   20.833   11.905
LGA    N    22_A      N    22_A     4.161     0    0.043   0.152     5.042   43.929   39.940
LGA    E    23_A      E    23_A     2.418     0    0.049   1.054     3.512   67.262   69.206
LGA    Q    24_A      Q    24_A     2.294     0    0.050   1.015     4.257   68.810   66.561
LGA    Y    25_A      Y    25_A     1.554     0    0.081   0.284     2.088   77.143   77.222
LGA    K    26_A      K    26_A     1.309     0    0.054   0.819     3.382   81.429   71.534
LGA    E    27_A      E    27_A     1.187     0    0.024   1.358     4.643   81.429   70.688
LGA    L    28_A      L    28_A     1.135     0    0.027   1.184     4.328   85.952   77.083
LGA    A    29_A      A    29_A     0.621     0    0.036   0.043     0.845   92.857   92.381
LGA    H    30_A      H    30_A     0.656     0    0.038   0.080     0.888   90.476   90.476
LGA    F    31_A      F    31_A     0.949     0    0.012   0.136     1.583   90.476   83.160
LGA    A    32_A      A    32_A     0.678     0    0.031   0.030     0.772   90.476   90.476
LGA    V    33_A      V    33_A     0.724     0    0.094   0.306     1.205   88.214   90.544
LGA    S    34_A      S    34_A     1.320     0    0.052   0.084     1.548   81.548   80.079
LGA    K    35_A      K    35_A     0.168     0    0.133   1.289     8.572   97.619   66.561
LGA    Q    36_A      Q    36_A     0.955     0    0.025   0.129     1.945   90.476   80.688
LGA    V    37_A      V    37_A     0.755     0    0.066   0.087     0.899   90.476   90.476
LGA    E    38_A      E    38_A     1.100     0    0.042   1.200     5.348   88.214   67.884
LGA    G    39_A      G    39_A     0.879     0    0.095   0.095     0.959   92.857   92.857
LGA    R    40_A      R    40_A     0.616     0    0.059   0.406     1.577   90.476   85.628
LGA    E    41_A      E    41_A     0.711     0    0.045   0.726     2.309   90.476   82.698
LGA    F    42_A      F    42_A     0.548     0    0.058   0.142     1.404   95.238   90.606
LGA    F    43_A      F    43_A     0.492     0    0.049   0.269     1.660   97.619   87.403
LGA    D    44_A      D    44_A     0.383     0    0.034   0.269     1.173  100.000   94.107
LGA    T    45_A      T    45_A     0.353     0    0.036   0.117     0.687   97.619   97.279
LGA    V    46_A      V    46_A     0.467     0    0.023   1.102     2.553   95.238   86.122
LGA    L    47_A      L    47_A     1.015     0    0.045   0.961     3.051   88.214   79.821
LGA    E    48_A      E    48_A     0.631     0    0.022   0.979     4.532   92.857   78.624
LGA    V    49_A      V    49_A     0.708     0    0.064   0.127     1.101   90.476   89.184
LGA    T    50_A      T    50_A     0.648     0    0.102   1.084     2.682   86.071   80.680
LGA    D    51_A      D    51_A     1.142     0    0.074   0.342     2.994   88.214   77.619
LGA    V    52_A      V    52_A     0.746     0    0.037   0.065     1.139   90.476   89.184
LGA    E    53_A      E    53_A     0.252     0    0.044   0.861     3.183  100.000   86.455
LGA    T    54_A      T    54_A     0.393     0    0.046   0.137     0.835  100.000   95.918
LGA    Q    55_A      Q    55_A     1.070     0    0.086   0.939     3.002   85.952   75.291
LGA    V    56_A      V    56_A     1.901     0    0.091   1.056     4.759   70.833   62.381
LGA    V    57_A      V    57_A     1.221     0    0.369   1.122     3.173   73.571   71.224
LGA    A    58_A      A    58_A     0.821     0    0.370   0.367     1.344   85.952   85.048
LGA    G    59_A      G    59_A     0.683     0    0.101   0.101     1.154   88.214   88.214
LGA    T    60_A      T    60_A     1.421     0    0.032   1.003     2.732   81.429   75.510
LGA    N    61_A      N    61_A     1.038     0    0.023   0.421     2.959   85.952   80.714
LGA    Y    62_A      Y    62_A     0.512     0    0.022   0.153     1.729   95.238   86.865
LGA    R    63_A      R    63_A     0.330     0    0.030   1.307     5.009  100.000   74.589
LGA    I    64_A      I    64_A     0.286     0    0.024   0.137     1.624  100.000   93.036
LGA    T    65_A      T    65_A     0.386     0    0.029   0.971     2.505  100.000   90.000
LGA    F    66_A      F    66_A     0.520     0    0.054   0.192     0.920   95.238   93.939
LGA    K    67_A      K    67_A     0.459     0    0.049   0.640     2.098   95.238   87.037
LGA    I    68_A      I    68_A     1.204     0    0.050   1.452     4.452   81.548   70.952
LGA    A    69_A      A    69_A     1.461     0    0.063   0.087     1.771   85.952   83.333
LGA    E    70_A      E    70_A     0.494     0    0.013   0.120     0.704   95.238   96.825
LGA    S    71_A      S    71_A     0.532     0    0.057   0.115     0.769   92.857   95.238
LGA    T    72_A      T    72_A     1.015     0    0.040   0.083     1.202   83.690   82.721
LGA    C    73_A      C    73_A     1.011     0    0.020   0.071     1.061   85.952   87.460
LGA    R    74_A      R    74_A     1.515     0    0.041   0.736     4.717   75.000   58.615
LGA    V    75_A      V    75_A     1.932     0    0.715   0.627     4.850   58.571   62.381
LGA    T    76_A      T    76_A     0.833     0    0.113   1.396     3.103   88.214   77.619
LGA    E    77_A      E    77_A     1.105     0    0.125   0.660     2.555   83.690   79.735
LGA    T    78_A      T    78_A     1.692     0    0.083   0.928     4.124   77.143   66.803
LGA    Y    79_A      Y    79_A     0.973     0    0.036   0.159     1.295   88.214   89.762
LGA    S    80_A      S    80_A     0.477     0    0.055   0.674     1.792   97.619   92.302
LGA    K    81_A      K    81_A     0.533     0    0.057   0.874     3.963   92.857   79.788
LGA    E    82_A      E    82_A     1.214     0    0.149   1.307     4.459   81.548   71.164
LGA    T    83_A      T    83_A     0.874     0    0.094   1.019     2.378   88.214   82.993
LGA    C    84_A      C    84_A     0.639     0    0.033   0.061     0.696   92.857   92.063
LGA    L    85_A      L    85_A     0.767     0    0.026   0.907     2.412   90.476   82.798
LGA    P    86_A      P    86_A     0.437     0    0.048   0.259     0.651   95.238   93.197
LGA    K    87_A      K    87_A     0.908     0    0.641   1.003     3.311   78.095   72.698
LGA    T    88_A      T    88_A     1.363     0    0.061   1.172     5.391   61.071   52.993
LGA    R    89_A      R    89_A     5.469     6    0.057   0.076     7.548   28.095   10.866
LGA    D    90_A      D    90_A     4.024     0    0.118   0.444     6.612   48.810   35.536
LGA    V    91_A      V    91_A     4.218     0    0.187   1.183     8.440   45.833   30.340
LGA    K    92_A      K    92_A     1.727     0    0.592   0.943    13.017   77.143   41.323
LGA    S    93_A      S    93_A     0.516     0    0.078   0.610     1.740   90.476   87.540
LGA    T    94_A      T    94_A     0.924     0    0.038   1.042     3.408   90.476   77.619
LGA    C    95_A      C    95_A     0.490     0    0.023   0.091     0.563   95.238   96.825
LGA    T    96_A      T    96_A     0.528     0    0.041   0.094     0.839   95.238   94.558
LGA    A    97_A      A    97_A     0.409     0    0.055   0.070     0.486  100.000  100.000
LGA    V    98_A      V    98_A     0.409     0    0.052   0.992     2.710   95.238   85.918
LGA    I    99_A      I    99_A     0.594     0    0.109   1.280     3.894   95.238   80.536
LGA    T   100_A      T   100_A     0.703     0    0.068   0.967     2.678   92.857   85.782
LGA    E   101_A      E   101_A     0.747     0    0.195   0.726     2.230   85.952   79.735
LGA    P   102_A      P   102_A     1.960     0    0.069   0.282     2.326   68.810   69.456
LGA    L   103_A      L   103_A     2.373     0    0.040   0.150     3.387   60.952   58.155
LGA    N   104_A      N   104_A     2.975     0    0.527   1.071     5.856   41.786   55.655
LGA    N   105_A      N   105_A     6.449     0    0.262   1.132    12.416   27.976   14.167
LGA    E   106_A      E   106_A     2.877     0    0.107   0.754     4.452   47.143   48.730
LGA    R   107_A      R   107_A     1.261     0    0.063   1.435     5.971   85.952   68.268
LGA    F   108_A      F   108_A     0.821     0    0.056   1.379     6.006   90.476   66.320
LGA    V   109_A      V   109_A     0.573     0    0.015   0.101     0.690   90.476   90.476
LGA    H   110_A      H   110_A     0.535     0    0.024   1.205     4.641   95.238   72.190
LGA    S   111_A      S   111_A     0.375     0    0.023   0.026     0.650   97.619   95.238
LGA    F   112_A      F   112_A     0.460     0    0.027   0.177     1.006   95.238   91.385
LGA    T   113_A      T   113_A     0.771     0    0.058   0.996     2.399   90.476   83.129
LGA    C   114_A      C   114_A     0.484     0    0.024   0.676     1.827   92.857   89.127
LGA    G   115_A      G   115_A     0.871     0    0.708   0.708     3.054   78.095   78.095

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      103     412    412  100.00     817    817  100.00               103
SUMMARY(RMSD_GDC):     1.762          1.770                  2.480           82.642   76.054

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0     98    1.31    86.893    92.957     6.928

LGA_LOCAL      RMSD:   1.314  Number of atoms:   98  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.770  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.762  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.660625 * X  +  -0.686640 * Y  +  -0.303481 * Z  + -11.326237
  Y_new =   0.503174 * X  +  -0.705005 * Y  +   0.499785 * Z  +  28.511885
  Z_new =  -0.557128 * X  +   0.177466 * Y  +   0.811243 * Z  +  -4.026693 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.490669  0.590923  0.215366   [DEG:  142.7048   33.8574   12.3396 ]
ZXZ: -2.595878  0.624522 -1.262420   [DEG: -148.7328   35.7825  -72.3314 ]
 
# END of job
