
#######################################################
#                                                     #
#                        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       1.78     1.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.78     1.78
  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     1.87
  LCS_AVERAGE:     44.90

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   44   78   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     16   57   84   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     25   59   84   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     21   57   84   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     21   60   84   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     10   32   66   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   15   26   38   81   90  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   44   86   94   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     15  103  103      4    5    7   18   30   46   76   94   95   99  101  101  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     53  103  103      7   17   52   74   91   92   95   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     66  103  103     12   45   77   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     13   47   77   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   55   84   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   59   84   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     22   61   84   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     23   64   84   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     27   65   84   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     27   65   84   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     26   65   84   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     28   65   84   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     29   65   84   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     14   50   84   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   65   84   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     19   65   84   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     22   65   84   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   65   84   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   65   84   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     28   65   84   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     23   65   84   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     27   65   84   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     25   65   84   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     29   65   84   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     29   65   84   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     29   65   84   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     23   65   84   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     27   65   84   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     27   65   84   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     27   65   84   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     22   60   84   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     22   62   84   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     27   65   84   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   65   84   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   65   84   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     17   64   84   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     22   65   84   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     21   65   84   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     29   65   84   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   65   84   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     29   65   84   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   65   84   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   65   84   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     29   65   84   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   65   84   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   65   84   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   65   84   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     20   59   84   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      8   52   84   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   65   84   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   65   84   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     23   65   84   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   65   84   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     20   59   84   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     13   46   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     28   65   84   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      3   64   84   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   55   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   64   84   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     25   65   84   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     28   65   84   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     30   65   84   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   65   84   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     23   65   84   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   65   84   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   65   84   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     30   65   84   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      4   43   84   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      4    5    6    8   45   66   95   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A      6  103  103      4   10   34   54   89   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      4    9   22   58   85   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   48   84   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   65   84   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     30   65   84   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   65   84   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   65   84   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   65   84   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   65   84   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   65   84   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     30   65   84   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     30   65   84   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      9   56   81   91   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      6   53   79   91   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      3   24   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      7  103  103      3    4   12   16   27   42   91   97   99   99  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     10  103  103      6   38   74   89   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      6   64   84   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   65   84   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   65   84   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   65   84   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   65   84   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   65   84   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     27   65   84   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   65   84   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     13   65   84   91   93   96   97   98  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  81.63  (  44.90  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     65     84     91     93     96     97     98    100    101    102    102    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  29.13  63.11  81.55  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    0.33   0.63   0.85   0.98   1.03   1.17   1.24   1.32   1.45   1.55   1.66   1.66   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78
GDT RMS_ALL_AT   1.90   1.85   1.81   1.79   1.80   1.78   1.78   1.79   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    42_A      F    42_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:  F    66_A      F    66_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  Y    79_A      Y    79_A
#   possible swapping detected:  D    90_A      D    90_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     1.873     0    0.161   0.161     2.201   75.119   75.119
LGA    W    14_A      W    14_A     1.284     0    0.096   0.094     2.017   79.286   78.469
LGA    Q    15_A      Q    15_A     0.994     0    0.046   1.019     5.546   90.476   64.603
LGA    K    16_A      K    16_A     1.061     0    0.051   0.729     3.755   81.429   73.545
LGA    K    17_A      K    17_A     1.026     0    0.077   0.625     3.102   81.429   74.286
LGA    T    18_A      T    18_A     2.027     0    0.065   1.228     5.864   53.095   44.286
LGA    P    19_A      P    19_A     4.782     0    0.661   0.707     6.472   37.262   29.252
LGA    V    20_A      V    20_A     4.431     0    0.102   1.175     7.916   35.000   24.898
LGA    D    21_A      D    21_A     6.389     0    0.277   0.971     9.495   20.833   11.905
LGA    N    22_A      N    22_A     4.153     0    0.033   0.121     5.192   45.357   40.655
LGA    E    23_A      E    23_A     2.522     0    0.058   0.894     3.266   65.357   66.984
LGA    Q    24_A      Q    24_A     2.307     0    0.052   0.472     5.301   68.810   53.545
LGA    Y    25_A      Y    25_A     1.572     0    0.079   0.228     2.074   75.000   74.365
LGA    K    26_A      K    26_A     1.284     0    0.048   0.855     3.808   83.690   70.159
LGA    E    27_A      E    27_A     1.181     0    0.024   1.340     4.939   81.429   70.476
LGA    L    28_A      L    28_A     1.087     0    0.026   0.907     2.833   85.952   79.583
LGA    A    29_A      A    29_A     0.581     0    0.041   0.048     0.804   92.857   92.381
LGA    H    30_A      H    30_A     0.647     0    0.041   0.076     0.887   90.476   91.429
LGA    F    31_A      F    31_A     0.887     0    0.017   0.093     1.273   90.476   85.541
LGA    A    32_A      A    32_A     0.640     0    0.041   0.040     0.730   90.476   90.476
LGA    V    33_A      V    33_A     0.696     0    0.095   0.242     1.215   88.214   91.905
LGA    S    34_A      S    34_A     1.289     0    0.070   0.651     3.225   81.548   76.270
LGA    K    35_A      K    35_A     0.335     0    0.170   1.200     6.932   97.619   67.302
LGA    Q    36_A      Q    36_A     0.927     0    0.017   0.480     3.136   90.476   75.450
LGA    V    37_A      V    37_A     0.684     0    0.078   0.085     0.833   90.476   90.476
LGA    E    38_A      E    38_A     1.113     0    0.042   0.820     2.093   85.952   80.635
LGA    G    39_A      G    39_A     1.122     0    0.162   0.162     1.122   88.333   88.333
LGA    R    40_A      R    40_A     0.599     0    0.046   0.594     2.195   88.214   84.069
LGA    E    41_A      E    41_A     1.023     0    0.101   0.886     3.070   88.214   74.444
LGA    F    42_A      F    42_A     0.556     0    0.070   0.115     0.767   92.857   93.074
LGA    F    43_A      F    43_A     0.488     0    0.039   0.114     1.035   97.619   92.294
LGA    D    44_A      D    44_A     0.341     0    0.031   0.108     0.644  100.000   95.238
LGA    T    45_A      T    45_A     0.359     0    0.033   0.112     0.623   97.619   97.279
LGA    V    46_A      V    46_A     0.453     0    0.020   1.085     2.461   95.238   87.211
LGA    L    47_A      L    47_A     1.073     0    0.047   1.415     4.019   88.214   77.143
LGA    E    48_A      E    48_A     0.696     0    0.018   0.137     0.970   90.476   91.534
LGA    V    49_A      V    49_A     0.575     0    0.078   0.163     0.751   92.857   91.837
LGA    T    50_A      T    50_A     0.580     0    0.122   1.105     2.809   88.214   83.129
LGA    D    51_A      D    51_A     1.083     0    0.071   0.334     2.771   88.214   79.643
LGA    V    52_A      V    52_A     0.779     0    0.040   0.058     1.048   90.476   89.184
LGA    E    53_A      E    53_A     0.403     0    0.036   0.749     2.622   97.619   85.026
LGA    T    54_A      T    54_A     0.317     0    0.021   0.080     0.398  100.000  100.000
LGA    Q    55_A      Q    55_A     0.858     0    0.065   1.103     3.526   85.952   78.254
LGA    V    56_A      V    56_A     1.629     0    0.075   1.047     4.442   72.976   65.510
LGA    V    57_A      V    57_A     1.381     0    0.377   1.147     3.111   73.571   72.449
LGA    A    58_A      A    58_A     1.121     0    0.335   0.330     1.595   77.143   79.810
LGA    G    59_A      G    59_A     0.915     0    0.079   0.079     1.211   85.952   85.952
LGA    T    60_A      T    60_A     1.296     0    0.019   1.062     2.465   83.690   76.735
LGA    N    61_A      N    61_A     1.002     0    0.029   0.377     2.597   85.952   81.786
LGA    Y    62_A      Y    62_A     0.389     0    0.026   0.126     1.411   97.619   90.635
LGA    R    63_A      R    63_A     0.317     0    0.026   1.274     6.335  100.000   72.641
LGA    I    64_A      I    64_A     0.317     0    0.022   1.077     3.675   97.619   78.929
LGA    T    65_A      T    65_A     0.313     0    0.036   1.077     2.778  100.000   88.844
LGA    F    66_A      F    66_A     0.556     0    0.044   1.278     5.036   90.476   74.545
LGA    K    67_A      K    67_A     0.610     0    0.065   0.667     1.885   90.476   91.693
LGA    I    68_A      I    68_A     1.273     0    0.056   1.340     4.387   79.286   70.714
LGA    A    69_A      A    69_A     1.404     0    0.054   0.074     1.702   85.952   83.333
LGA    E    70_A      E    70_A     0.468     0    0.017   0.371     1.194   92.857   93.704
LGA    S    71_A      S    71_A     0.585     0    0.043   0.095     0.779   92.857   92.063
LGA    T    72_A      T    72_A     1.044     0    0.063   0.116     1.214   83.690   85.306
LGA    C    73_A      C    73_A     1.053     0    0.024   0.104     1.139   81.429   84.444
LGA    R    74_A      R    74_A     1.561     0    0.043   1.223     4.034   75.000   75.195
LGA    V    75_A      V    75_A     1.872     0    0.712   0.633     4.728   60.476   63.469
LGA    T    76_A      T    76_A     0.520     0    0.154   1.394     3.093   90.595   81.361
LGA    E    77_A      E    77_A     0.992     0    0.127   0.594     2.330   85.952   82.593
LGA    T    78_A      T    78_A     1.631     0    0.056   0.974     4.244   77.143   67.959
LGA    Y    79_A      Y    79_A     1.021     0    0.034   0.111     1.238   85.952   87.460
LGA    S    80_A      S    80_A     0.458     0    0.058   0.678     1.938   97.619   92.302
LGA    K    81_A      K    81_A     0.497     0    0.061   0.880     4.146   95.238   77.513
LGA    E    82_A      E    82_A     1.146     0    0.148   1.353     4.560   81.548   69.735
LGA    T    83_A      T    83_A     0.921     0    0.088   1.192     2.693   85.952   78.367
LGA    C    84_A      C    84_A     0.774     0    0.044   0.068     0.894   92.857   92.063
LGA    L    85_A      L    85_A     0.993     0    0.033   1.043     3.651   88.214   74.048
LGA    P    86_A      P    86_A     0.452     0    0.064   0.245     1.265   92.857   89.252
LGA    K    87_A      K    87_A     0.898     0    0.653   0.574     3.309   78.095   84.974
LGA    T    88_A      T    88_A     1.320     0    0.037   1.158     5.267   59.762   52.245
LGA    R    89_A      R    89_A     5.778     6    0.199   0.204     7.906   23.333    9.134
LGA    D    90_A      D    90_A     4.104     0    0.093   1.105     7.468   48.810   38.274
LGA    V    91_A      V    91_A     4.284     0    0.179   1.037     7.386   45.833   31.497
LGA    K    92_A      K    92_A     1.526     0    0.578   0.840    13.024   79.286   41.587
LGA    S    93_A      S    93_A     0.597     0    0.069   0.647     2.142   88.214   84.683
LGA    T    94_A      T    94_A     1.020     0    0.035   1.061     3.553   88.214   75.374
LGA    C    95_A      C    95_A     0.558     0    0.022   0.092     0.650   90.476   90.476
LGA    T    96_A      T    96_A     0.660     0    0.029   0.071     1.016   92.857   90.544
LGA    A    97_A      A    97_A     0.405     0    0.045   0.061     0.538   97.619   98.095
LGA    V    98_A      V    98_A     0.438     0    0.045   0.071     0.505   97.619   98.639
LGA    I    99_A      I    99_A     0.499     0    0.084   1.596     4.780   97.619   79.286
LGA    T   100_A      T   100_A     0.714     0    0.078   0.923     2.637   92.857   85.782
LGA    E   101_A      E   101_A     0.789     0    0.167   0.686     3.187   85.952   79.153
LGA    P   102_A      P   102_A     1.780     0    0.080   0.135     2.078   72.976   74.150
LGA    L   103_A      L   103_A     2.175     0    0.034   0.111     3.141   62.857   61.012
LGA    N   104_A      N   104_A     2.964     0    0.548   1.519     6.023   40.714   51.071
LGA    N   105_A      N   105_A     6.490     0    0.317   1.246    10.663   27.976   14.226
LGA    E   106_A      E   106_A     2.838     0    0.086   0.554     6.930   47.143   38.095
LGA    R   107_A      R   107_A     1.228     0    0.084   0.426     2.603   83.690   80.130
LGA    F   108_A      F   108_A     0.613     0    0.034   0.105     0.651   90.476   90.476
LGA    V   109_A      V   109_A     0.546     0    0.026   0.068     0.633   92.857   91.837
LGA    H   110_A      H   110_A     0.488     0    0.026   1.236     4.595   97.619   72.238
LGA    S   111_A      S   111_A     0.356     0    0.023   0.038     0.528   97.619   98.413
LGA    F   112_A      F   112_A     0.471     0    0.031   0.265     1.395   95.238   88.918
LGA    T   113_A      T   113_A     0.887     0    0.065   1.023     2.657   90.476   82.041
LGA    C   114_A      C   114_A     0.660     0    0.026   0.666     1.632   90.476   86.032
LGA    G   115_A      G   115_A     1.125     0    0.695   0.695     3.235   75.833   75.833

# 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):     1.778          1.792                  2.460           81.958   75.789

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0     98    1.32    86.650    92.953     6.898

LGA_LOCAL      RMSD:   1.321  Number of atoms:   98  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.786  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.778  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.703900 * X  +  -0.641214 * Y  +  -0.305563 * Z  + -11.132010
  Y_new =   0.489057 * X  +  -0.749493 * Y  +   0.446188 * Z  +  29.560097
  Z_new =  -0.515120 * X  +   0.164633 * Y  +   0.841159 * Z  +  -4.774873 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.534377  0.541147  0.193279   [DEG:  145.2091   31.0055   11.0741 ]
ZXZ: -2.541119  0.571374 -1.261454   [DEG: -145.5954   32.7373  -72.2760 ]
 
# END of job
