
#######################################################
#                                                     #
#                        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       1.10     1.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.10     1.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      21_A - 115_A       0.96     1.10
  LCS_AVERAGE:     91.14

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     12   45   91   98  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     91  103  103     22   84   95   98  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     91  103  103     50   84   95   98  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     91  103  103     56   84   95   98  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     91  103  103     55   84   95   98  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     91  103  103     12   69   95   98  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     91  103  103      3    3    4   23   30   48   82  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     91  103  103      3    3    4   93  100  100  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    4    4    7   36   88  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      7   72   95   98  100  100  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     49   84   95   98  100  100  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     43   83   95   98  100  100  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     56   84   95   98  100  100  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   84   95   98  100  100  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   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     41   84   95   98  100  100  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     41   84   95   98  100  100  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     11   41   92   98  100  100  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   74   95   98  100  100  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     41   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     55   84   95   98  100  100  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     55   84   95   98  100  100  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     22   83   95   98  100  100  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     13   55   94   98  100  100  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   23   82   98  100  100  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     44   84   95   98  100  100  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     55   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     53   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     11   84   95   98  100  100  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     11   83   95   98  100  100  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     34   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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   84   95   98  100  100  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     50   84   95   98  100  100  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     55   84   95   98  100  100  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     55   84   95   98  100  100  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     49   84   95   98  100  100  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     54   84   95   98  100  100  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      9   23   95   98  100  100  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   11   22   95  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     95  103  103      3   83   95   98  100  100  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      3   79   95   98  100  100  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     17   83   95   98  100  100  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   84   95   98  100  100  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   83   95   98  100  100  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   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  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     56   84   95   98  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  97.05  (  91.14  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     56     84     95     98    100    100    101    102    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  54.37  81.55  92.23  95.15  97.09  97.09  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    0.29   0.52   0.65   0.73   0.82   0.82   0.90   1.00   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10
GDT RMS_ALL_AT   1.23   1.12   1.11   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_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:  E    48_A      E    48_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:  E   101_A      E   101_A
#   possible swapping detected:  E   106_A      E   106_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     1.886     0    0.154   0.154     1.908   77.143   77.143
LGA    W    14_A      W    14_A     0.968     0    0.008   0.075     1.379   85.952   88.639
LGA    Q    15_A      Q    15_A     0.630     0    0.032   1.212     5.033   95.238   78.042
LGA    K    16_A      K    16_A     0.133     0    0.013   0.217     2.041  100.000   89.947
LGA    K    17_A      K    17_A     0.356     0    0.062   0.697     2.013   97.619   90.952
LGA    T    18_A      T    18_A     1.283     0    0.143   0.939     4.084   64.762   62.857
LGA    P    19_A      P    19_A     4.385     0    0.666   0.606     7.168   43.690   31.293
LGA    V    20_A      V    20_A     3.158     0    0.093   1.028     7.017   51.071   42.245
LGA    D    21_A      D    21_A     3.685     0    0.030   0.949     4.975   48.810   47.976
LGA    N    22_A      N    22_A     1.571     0    0.145   0.300     2.576   79.405   75.238
LGA    E    23_A      E    23_A     0.992     0    0.030   0.870     5.453   85.952   64.974
LGA    Q    24_A      Q    24_A     1.236     0    0.020   0.078     1.516   81.429   80.476
LGA    Y    25_A      Y    25_A     0.682     0    0.051   0.069     0.886   90.476   90.476
LGA    K    26_A      K    26_A     0.753     0    0.024   0.868     2.911   90.476   79.153
LGA    E    27_A      E    27_A     0.785     0    0.027   1.305     5.124   90.476   72.381
LGA    L    28_A      L    28_A     0.736     0    0.039   0.103     1.011   90.476   89.345
LGA    A    29_A      A    29_A     0.591     0    0.052   0.068     0.663   90.476   92.381
LGA    H    30_A      H    30_A     0.666     0    0.012   0.058     0.666   90.476   92.381
LGA    F    31_A      F    31_A     0.632     0    0.013   0.097     0.755   90.476   90.476
LGA    A    32_A      A    32_A     0.623     0    0.037   0.046     0.644   90.476   90.476
LGA    V    33_A      V    33_A     0.550     0    0.086   0.796     2.300   90.476   86.871
LGA    S    34_A      S    34_A     0.654     0    0.026   0.031     0.693   90.476   90.476
LGA    K    35_A      K    35_A     0.500     0    0.056   0.152     1.486   92.857   89.524
LGA    Q    36_A      Q    36_A     0.778     0    0.089   0.121     0.994   90.476   90.476
LGA    V    37_A      V    37_A     1.072     0    0.015   0.038     1.453   83.690   84.014
LGA    E    38_A      E    38_A     1.960     0    0.030   1.000     5.265   72.857   56.243
LGA    G    39_A      G    39_A     1.410     0    0.048   0.048     1.584   81.548   81.548
LGA    R    40_A      R    40_A     0.783     0    0.012   0.865     2.341   88.214   86.580
LGA    E    41_A      E    41_A     0.671     0    0.056   0.287     0.980   90.476   90.476
LGA    F    42_A      F    42_A     0.443     0    0.028   0.063     0.597  100.000   96.537
LGA    F    43_A      F    43_A     0.440     0    0.021   0.100     0.555   97.619   93.939
LGA    D    44_A      D    44_A     0.150     0    0.040   0.060     0.436  100.000  100.000
LGA    T    45_A      T    45_A     0.116     0    0.063   0.099     0.300  100.000  100.000
LGA    V    46_A      V    46_A     0.262     0    0.018   0.077     0.634  100.000   97.279
LGA    L    47_A      L    47_A     0.148     0    0.025   0.034     0.241  100.000  100.000
LGA    E    48_A      E    48_A     0.267     0    0.041   0.195     0.624  100.000   98.942
LGA    V    49_A      V    49_A     0.383     0    0.031   0.052     0.601  100.000   97.279
LGA    T    50_A      T    50_A     0.208     0    0.017   0.095     0.380  100.000  100.000
LGA    D    51_A      D    51_A     0.179     0    0.023   0.828     3.661  100.000   83.155
LGA    V    52_A      V    52_A     0.147     0    0.043   0.064     0.388  100.000  100.000
LGA    E    53_A      E    53_A     0.177     0    0.035   0.940     4.090  100.000   86.085
LGA    T    54_A      T    54_A     0.285     0    0.067   0.114     0.533   97.619   97.279
LGA    Q    55_A      Q    55_A     0.258     0    0.069   0.461     1.955  100.000   95.926
LGA    V    56_A      V    56_A     1.083     0    0.016   0.052     1.435   83.690   82.721
LGA    V    57_A      V    57_A     1.713     0    0.362   1.247     5.040   57.262   61.905
LGA    A    58_A      A    58_A     2.427     0    0.057   0.068     3.208   66.786   63.429
LGA    G    59_A      G    59_A     0.917     0    0.025   0.025     1.511   86.071   86.071
LGA    T    60_A      T    60_A     0.435     0    0.055   0.078     0.878   97.619   94.558
LGA    N    61_A      N    61_A     0.615     0    0.054   0.451     1.856   95.238   90.655
LGA    Y    62_A      Y    62_A     0.461     0    0.018   0.102     0.767   92.857   95.238
LGA    R    63_A      R    63_A     0.507     0    0.033   0.980     2.646   95.238   86.840
LGA    I    64_A      I    64_A     0.354     0    0.022   0.076     0.591  100.000   97.619
LGA    T    65_A      T    65_A     0.211     0    0.026   0.053     0.306  100.000  100.000
LGA    F    66_A      F    66_A     0.227     0    0.026   0.117     0.711  100.000   97.403
LGA    K    67_A      K    67_A     0.165     0    0.018   0.106     0.368  100.000  100.000
LGA    I    68_A      I    68_A     0.171     0    0.023   0.046     0.260  100.000  100.000
LGA    A    69_A      A    69_A     0.103     0    0.033   0.054     0.180  100.000  100.000
LGA    E    70_A      E    70_A     0.150     0    0.002   0.369     0.907  100.000   97.884
LGA    S    71_A      S    71_A     0.280     0    0.017   0.053     0.475  100.000  100.000
LGA    T    72_A      T    72_A     0.475     0    0.012   0.038     0.559  100.000   98.639
LGA    C    73_A      C    73_A     0.493     0    0.022   0.071     0.614   92.857   92.063
LGA    R    74_A      R    74_A     0.516     0    0.030   0.795     3.313   95.238   88.571
LGA    V    75_A      V    75_A     0.450     0    0.031   0.037     0.576   97.619   97.279
LGA    T    76_A      T    76_A     0.454     0    0.054   0.155     1.080  100.000   93.333
LGA    E    77_A      E    77_A     0.551     0    0.033   0.489     1.649   92.857   89.577
LGA    T    78_A      T    78_A     0.733     0    0.065   0.088     1.041   90.476   89.184
LGA    Y    79_A      Y    79_A     0.412     0    0.043   0.121     0.655   97.619   95.238
LGA    S    80_A      S    80_A     0.409     0    0.016   0.239     0.680  100.000   96.825
LGA    K    81_A      K    81_A     0.875     0    0.028   0.683     3.598   85.952   73.810
LGA    E    82_A      E    82_A     1.330     0    0.071   1.352     5.376   81.429   64.233
LGA    T    83_A      T    83_A     0.974     0    0.053   0.060     1.300   88.214   86.599
LGA    C    84_A      C    84_A     0.372     0    0.095   0.103     0.679  100.000   98.413
LGA    L    85_A      L    85_A     0.503     0    0.036   0.080     1.055   95.238   90.595
LGA    P    86_A      P    86_A     0.215     0    0.033   0.275     0.536   97.619   97.279
LGA    K    87_A      K    87_A     0.307     0    0.032   0.067     0.495  100.000  100.000
LGA    T    88_A      T    88_A     0.401     0    0.022   0.040     0.588  100.000   97.279
LGA    R    89_A      R    89_A     0.599     6    0.027   0.028     0.745   90.476   41.126
LGA    D    90_A      D    90_A     0.626     0    0.018   0.243     1.772   95.238   88.393
LGA    V    91_A      V    91_A     0.268     0    0.022   0.025     0.378  100.000  100.000
LGA    K    92_A      K    92_A     0.164     0    0.050   0.148     1.513  100.000   92.804
LGA    S    93_A      S    93_A     0.313     0    0.076   0.660     1.663  100.000   93.889
LGA    T    94_A      T    94_A     0.205     0    0.052   0.066     0.340  100.000  100.000
LGA    C    95_A      C    95_A     0.104     0    0.037   0.044     0.169  100.000  100.000
LGA    T    96_A      T    96_A     0.309     0    0.013   0.041     0.442  100.000  100.000
LGA    A    97_A      A    97_A     0.273     0    0.029   0.031     0.471  100.000  100.000
LGA    V    98_A      V    98_A     0.895     0    0.024   0.032     1.212   90.476   87.891
LGA    I    99_A      I    99_A     0.913     0    0.018   0.450     1.310   90.476   88.214
LGA    T   100_A      T   100_A     0.475     0    0.017   0.049     0.820   97.619   94.558
LGA    E   101_A      E   101_A     0.484     0    0.023   0.589     1.627   95.238   89.735
LGA    P   102_A      P   102_A     0.651     0    0.030   0.167     0.833   95.238   93.197
LGA    L   103_A      L   103_A     0.516     0    0.156   1.381     2.995   95.238   82.321
LGA    N   104_A      N   104_A     1.511     0    0.219   1.238     6.140   63.690   45.655
LGA    N   105_A      N   105_A     4.865     0    0.688   0.577    10.566   43.690   23.333
LGA    E   106_A      E   106_A     1.192     0    0.116   0.533     5.170   75.119   58.624
LGA    R   107_A      R   107_A     1.131     0    0.116   1.122     4.430   83.690   76.017
LGA    F   108_A      F   108_A     1.180     0    0.109   1.299     4.917   88.214   71.255
LGA    V   109_A      V   109_A     0.863     0    0.041   0.061     0.920   90.476   90.476
LGA    H   110_A      H   110_A     1.092     0    0.070   1.192     5.008   81.429   67.429
LGA    S   111_A      S   111_A     0.887     0    0.055   0.082     0.986   90.476   90.476
LGA    F   112_A      F   112_A     0.377     0    0.059   0.148     0.731   97.619   96.537
LGA    T   113_A      T   113_A     0.383     0    0.139   1.184     2.608   97.619   87.483
LGA    C   114_A      C   114_A     0.315     0    0.131   0.148     0.908   97.619   98.413
LGA    G   115_A      G   115_A     0.194     0    0.629   0.629     3.106   82.857   82.857

# 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):     1.097          1.110                  1.633           90.714   86.150

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    1.00    93.932    97.092     9.310

LGA_LOCAL      RMSD:   0.996  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.101  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.097  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.465818 * X  +   0.617481 * Y  +  -0.633823 * Z  + -28.117575
  Y_new =   0.861788 * X  +  -0.479142 * Y  +   0.166569 * Z  +  30.016048
  Z_new =  -0.200838 * X  +  -0.623812 * Y  +  -0.755330 * Z  +  -0.150527 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.075257  0.202213 -2.451270   [DEG:   61.6077   11.5859 -140.4474 ]
ZXZ: -1.827786  2.426954 -2.830120   [DEG: -104.7244  139.0542 -162.1539 ]
 
# END of job
