
#######################################################
#                                                     #
#                        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       1.11     1.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.11     1.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      21_A - 115_A       1.00     1.12
  LCS_AVERAGE:     90.94

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      7  103  103     11   74   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     88  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     88  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     88  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     88  103  103     48   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     88  103  103     11   61   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     88  103  103      3    3    4   24   45   67   98  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     88  103  103      3    4    4   24   96  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     95  103  103      3    7   36   54   97  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     95  103  103     21   71   94   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     95  103  103     42   80   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     95  103  103     36   79   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     95  103  103     14   82   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     95  103  103      6   30   84   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     95  103  103     14   67   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     95  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     95  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     95  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     95  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     95  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     95  103  103     48   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     95  103  103     27   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     95  103  103     43   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     95  103  103     11   27   85   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     95  103  103     36   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     95  103  103     39   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     95  103  103     42   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     95  103  103     32   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     95  103  103     32   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     95  103  103     32   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     95  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     95  103  103     32   79   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     95  103  103     32   79   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     95  103  103     32   79   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     95  103  103     48   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     95  103  103     32   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     95  103  103     42   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     95  103  103     20   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     95  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     95  103  103     47   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     95  103  103     44   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     95  103  103     44   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     95  103  103     43   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     95  103  103     33   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     95  103  103     44   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     95  103  103      3   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     95  103  103      3    3    4    5    9   59   99  101  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     95  103  103      3   48   93   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     95  103  103      6   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     95  103  103     36   82   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     95  103  103     50   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     95  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     95  103  103     49   85   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  96.98  (  90.94  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     50     85     95     98     99    101    101    102    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  48.54  82.52  92.23  95.15  96.12  98.06  98.06  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.59   0.70   0.76   0.79   0.90   0.90   1.00   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11
GDT RMS_ALL_AT   1.23   1.12   1.12   1.12   1.12   1.12   1.12   1.12   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11   1.11

# 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:  F    31_A      F    31_A
#   possible swapping detected:  E    38_A      E    38_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:  Y    62_A      Y    62_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  F   108_A      F   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.293     0    0.177   0.177     1.293   88.214   88.214
LGA    W    14_A      W    14_A     0.490     0    0.026   0.068     0.839   95.238   92.517
LGA    Q    15_A      Q    15_A     0.371     0    0.058   1.006     2.846  100.000   91.164
LGA    K    16_A      K    16_A     0.341     0    0.035   0.238     2.159   97.619   86.878
LGA    K    17_A      K    17_A     0.358     0    0.044   0.594     1.602   95.238   91.746
LGA    T    18_A      T    18_A     1.342     0    0.119   0.160     4.013   64.762   63.810
LGA    P    19_A      P    19_A     4.269     0    0.674   0.588     6.961   43.690   31.769
LGA    V    20_A      V    20_A     3.262     0    0.233   1.324     7.510   54.643   40.476
LGA    D    21_A      D    21_A     3.112     0    0.112   0.875     4.038   53.571   54.762
LGA    N    22_A      N    22_A     1.723     0    0.148   0.267     2.278   77.143   73.988
LGA    E    23_A      E    23_A     1.172     0    0.069   0.749     3.387   81.429   73.280
LGA    Q    24_A      Q    24_A     1.273     0    0.039   0.399     1.977   81.429   81.481
LGA    Y    25_A      Y    25_A     0.792     0    0.048   0.105     0.988   90.476   90.476
LGA    K    26_A      K    26_A     0.734     0    0.019   0.694     2.573   90.476   81.852
LGA    E    27_A      E    27_A     0.748     0    0.027   1.175     4.578   90.476   72.222
LGA    L    28_A      L    28_A     0.686     0    0.042   0.126     0.989   90.476   90.476
LGA    A    29_A      A    29_A     0.579     0    0.046   0.062     0.646   90.476   90.476
LGA    H    30_A      H    30_A     0.596     0    0.011   0.129     0.603   90.476   95.238
LGA    F    31_A      F    31_A     0.635     0    0.037   0.143     0.685   90.476   92.208
LGA    A    32_A      A    32_A     0.558     0    0.027   0.042     0.604   90.476   90.476
LGA    V    33_A      V    33_A     0.459     0    0.075   0.828     2.305   92.857   88.231
LGA    S    34_A      S    34_A     0.595     0    0.038   0.048     0.627   95.238   95.238
LGA    K    35_A      K    35_A     0.372     0    0.076   0.225     2.020  100.000   90.899
LGA    Q    36_A      Q    36_A     0.469     0    0.154   0.368     2.170  100.000   87.884
LGA    V    37_A      V    37_A     1.165     0    0.018   0.053     1.877   79.286   78.980
LGA    E    38_A      E    38_A     2.213     0    0.030   1.159     7.291   70.833   46.243
LGA    G    39_A      G    39_A     1.549     0    0.026   0.026     1.762   81.667   81.667
LGA    R    40_A      R    40_A     0.480     0    0.021   0.853     2.556   92.857   88.398
LGA    E    41_A      E    41_A     0.731     0    0.046   0.680     1.862   92.857   88.571
LGA    F    42_A      F    42_A     0.716     0    0.022   0.080     1.265   92.857   88.052
LGA    F    43_A      F    43_A     0.688     0    0.008   0.151     1.151   95.238   88.095
LGA    D    44_A      D    44_A     0.194     0    0.040   0.184     0.737  100.000   98.810
LGA    T    45_A      T    45_A     0.045     0    0.063   0.094     0.165  100.000  100.000
LGA    V    46_A      V    46_A     0.428     0    0.030   0.049     0.609  100.000   95.918
LGA    L    47_A      L    47_A     0.369     0    0.045   0.062     0.626   97.619   98.810
LGA    E    48_A      E    48_A     0.382     0    0.035   0.632     1.659  100.000   94.921
LGA    V    49_A      V    49_A     0.434     0    0.045   0.067     0.634  100.000   98.639
LGA    T    50_A      T    50_A     0.324     0    0.016   0.089     0.541  100.000   98.639
LGA    D    51_A      D    51_A     0.218     0    0.019   0.879     3.347  100.000   83.095
LGA    V    52_A      V    52_A     0.189     0    0.038   0.047     0.268  100.000  100.000
LGA    E    53_A      E    53_A     0.163     0    0.053   0.948     3.628  100.000   88.624
LGA    T    54_A      T    54_A     0.356     0    0.080   0.109     0.607   97.619   95.918
LGA    Q    55_A      Q    55_A     0.455     0    0.044   0.478     1.635   95.238   93.810
LGA    V    56_A      V    56_A     1.108     0    0.022   0.050     1.592   88.214   84.082
LGA    V    57_A      V    57_A     0.931     0    0.324   1.157     4.438   68.452   69.864
LGA    A    58_A      A    58_A     2.034     0    0.039   0.053     2.679   70.952   68.190
LGA    G    59_A      G    59_A     1.073     0    0.020   0.020     1.443   83.690   83.690
LGA    T    60_A      T    60_A     0.743     0    0.068   0.092     0.996   90.476   90.476
LGA    N    61_A      N    61_A     0.782     0    0.070   0.452     2.296   90.476   86.131
LGA    Y    62_A      Y    62_A     0.312     0    0.070   0.119     0.725  100.000   95.238
LGA    R    63_A      R    63_A     0.296     0    0.042   0.757     3.129  100.000   85.844
LGA    I    64_A      I    64_A     0.294     0    0.030   0.067     0.538  100.000   97.619
LGA    T    65_A      T    65_A     0.315     0    0.043   0.057     0.451  100.000  100.000
LGA    F    66_A      F    66_A     0.432     0    0.021   0.125     0.635  100.000   97.403
LGA    K    67_A      K    67_A     0.367     0    0.031   0.108     0.631  100.000   96.825
LGA    I    68_A      I    68_A     0.465     0    0.025   0.043     0.552   97.619   98.810
LGA    A    69_A      A    69_A     0.316     0    0.021   0.032     0.394  100.000  100.000
LGA    E    70_A      E    70_A     0.304     0    0.010   0.315     1.437  100.000   96.878
LGA    S    71_A      S    71_A     0.317     0    0.039   0.525     1.998   95.238   92.302
LGA    T    72_A      T    72_A     0.942     0    0.061   0.084     1.142   88.214   89.184
LGA    C    73_A      C    73_A     0.989     0    0.033   0.086     1.130   85.952   85.952
LGA    R    74_A      R    74_A     0.950     0    0.033   0.857     2.949   90.476   80.952
LGA    V    75_A      V    75_A     0.854     0    0.047   0.054     1.097   85.952   87.891
LGA    T    76_A      T    76_A     1.347     0    0.082   0.159     2.254   81.429   76.599
LGA    E    77_A      E    77_A     1.270     0    0.047   0.190     1.475   81.429   82.434
LGA    T    78_A      T    78_A     1.217     0    0.048   0.085     1.607   85.952   82.789
LGA    Y    79_A      Y    79_A     0.819     0    0.067   0.200     1.055   88.214   91.310
LGA    S    80_A      S    80_A     0.780     0    0.068   0.088     0.981   90.476   90.476
LGA    K    81_A      K    81_A     0.529     0    0.048   0.685     4.618   90.476   71.429
LGA    E    82_A      E    82_A     0.765     0    0.085   1.089     4.028   88.214   79.577
LGA    T    83_A      T    83_A     0.901     0    0.066   0.906     2.736   88.214   79.456
LGA    C    84_A      C    84_A     0.473     0    0.096   0.098     1.122   97.619   93.730
LGA    L    85_A      L    85_A     0.647     0    0.020   0.103     1.568   90.476   86.012
LGA    P    86_A      P    86_A     0.460     0    0.041   0.281     0.857   92.857   91.837
LGA    K    87_A      K    87_A     0.505     0    0.025   0.088     0.733   92.857   91.534
LGA    T    88_A      T    88_A     0.525     0    0.046   0.107     0.547   92.857   93.197
LGA    R    89_A      R    89_A     0.636     6    0.021   0.022     0.672   90.476   41.126
LGA    D    90_A      D    90_A     0.718     0    0.023   0.404     2.018   92.857   86.190
LGA    V    91_A      V    91_A     0.519     0    0.021   0.031     0.703   95.238   93.197
LGA    K    92_A      K    92_A     0.076     0    0.032   0.176     1.343  100.000   96.878
LGA    S    93_A      S    93_A     0.379     0    0.077   0.681     1.978  100.000   93.889
LGA    T    94_A      T    94_A     0.235     0    0.035   0.068     0.350  100.000  100.000
LGA    C    95_A      C    95_A     0.259     0    0.028   0.051     0.324  100.000  100.000
LGA    T    96_A      T    96_A     0.190     0    0.014   0.041     0.266  100.000  100.000
LGA    A    97_A      A    97_A     0.095     0    0.023   0.027     0.275  100.000  100.000
LGA    V    98_A      V    98_A     0.652     0    0.022   0.033     0.961   92.857   91.837
LGA    I    99_A      I    99_A     0.777     0    0.022   0.441     1.033   92.857   90.536
LGA    T   100_A      T   100_A     0.729     0    0.008   0.041     0.964   90.476   90.476
LGA    E   101_A      E   101_A     0.741     0    0.026   0.511     1.955   90.476   83.598
LGA    P   102_A      P   102_A     1.077     0    0.035   0.355     1.316   88.214   87.891
LGA    L   103_A      L   103_A     0.721     0    0.132   1.377     3.521   90.476   76.310
LGA    N   104_A      N   104_A     1.186     0    0.229   1.138     5.775   66.548   51.369
LGA    N   105_A      N   105_A     5.250     0    0.679   0.545    11.022   39.048   20.476
LGA    E   106_A      E   106_A     1.823     0    0.156   0.951     7.068   67.143   49.259
LGA    R   107_A      R   107_A     1.100     0    0.161   1.149     5.346   83.690   69.221
LGA    F   108_A      F   108_A     1.072     0    0.127   1.306     5.399   85.952   66.537
LGA    V   109_A      V   109_A     0.480     0    0.058   0.075     0.611   97.619   98.639
LGA    H   110_A      H   110_A     0.541     0    0.052   1.134     2.868   90.476   81.905
LGA    S   111_A      S   111_A     0.393     0    0.051   0.073     0.532   97.619   98.413
LGA    F   112_A      F   112_A     0.130     0    0.048   0.156     0.749  100.000   98.268
LGA    T   113_A      T   113_A     0.215     0    0.134   1.193     2.783  100.000   88.844
LGA    C   114_A      C   114_A     0.561     0    0.060   0.068     0.778   90.476   90.476
LGA    G   115_A      G   115_A     0.582     0    0.627   0.627     4.840   65.595   65.595

# 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):     1.113          1.137                  1.687           89.765   84.967

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    1.00    94.175    97.164     9.312

LGA_LOCAL      RMSD:   0.995  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.117  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.113  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.630399 * X  +  -0.256200 * Y  +   0.732774 * Z  + -29.200735
  Y_new =  -0.260513 * X  +   0.959046 * Y  +   0.111194 * Z  +  29.982271
  Z_new =  -0.731252 * X  +  -0.120801 * Y  +  -0.671325 * Z  +   0.395264 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.749716  0.820156 -2.963554   [DEG: -157.5471   46.9915 -169.7992 ]
ZXZ:  1.721391  2.306792 -1.734515   [DEG:   98.6284  132.1694  -99.3804 ]
 
# END of job
