
#######################################################
#                                                     #
#                        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  120 (  930),  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:     91.93

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     91  103  103     17   64   97   98  100  101  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     37   84   97   98  100  101  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     48   84   97   98  100  101  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     48   84   97   98  100  101  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     48   84   97   98  100  101  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     13   64   97   98  100  101  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      2    3    4   20   27   45   83  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    4   23   36  100  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    4   17   52  100  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     41   82   97   98  100  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     46   82   97   98  100  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     46   82   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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     40   84   97   98  100  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   84   97   98  100  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     39   84   97   98  100  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     38   84   97   98  100  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     21   58   94   98  100  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     30   81   97   98  100  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     38   84   97   98  100  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     38   84   97   98  100  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     44   84   97   98  100  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     44   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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     48   84   97   98  100  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   84   97   98  100  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     15   81   97   98  100  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     19   65   97   98  100  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      7   33   61   97   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     17   80   97   98  100  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     47   84   97   98  100  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     50   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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     44   84   97   98  100  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     44   84   97   98  100  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     38   84   97   98  100  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     38   84   97   98  100  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     38   84   97   98  100  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     38   84   97   98  100  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     38   84   97   98  100  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     44   84   97   98  100  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     50   84   97   98  100  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     11   84   97   98  100  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     11   66   97   98  100  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     29   84   97   98  100  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     44   84   97   98  100  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     46   84   97   98  100  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   84   97   98  100  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     47   84   97   98  100  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   84   97   98  100  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     40   84   97   98  100  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     40   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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     50   84   97   98  100  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     47   84   97   98  100  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     37   84   97   98  100  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     35   84   97   98  100  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     38   84   97   98  100  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   21   97   98  100  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    5    6   11   50   91  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     95  103  103     11   81   97   98  100  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      3   84   97   98  100  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     27   76   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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   84   97   98  100  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     50   84   97   98  100  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     50   84   97   98  100  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  97.31  (  91.93  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     84     97     98    100    101    101    102    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  48.54  81.55  94.17  95.15  97.09  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   0.74   0.76   0.87   0.90   0.90   0.99   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   1.26   1.13   1.11   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

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_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:  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     1.640     0    0.130   0.130     1.642   77.143   77.143
LGA    W    14_A      W    14_A     0.807     0    0.006   0.049     1.238   88.214   88.537
LGA    Q    15_A      Q    15_A     0.559     0    0.032   1.064     2.736   95.238   86.931
LGA    K    16_A      K    16_A     0.156     0    0.015   0.236     1.850  100.000   91.905
LGA    K    17_A      K    17_A     0.378     0    0.064   0.654     1.878   95.238   90.794
LGA    T    18_A      T    18_A     1.305     0    0.142   0.954     4.106   64.762   62.857
LGA    P    19_A      P    19_A     4.422     0    0.665   0.605     7.315   43.690   31.293
LGA    V    20_A      V    20_A     3.132     0    0.618   0.984     7.288   54.286   43.129
LGA    D    21_A      D    21_A     2.875     0    0.047   1.030     3.501   60.952   58.333
LGA    N    22_A      N    22_A     1.142     0    0.139   0.179     1.666   83.690   82.619
LGA    E    23_A      E    23_A     1.137     0    0.047   0.870     4.853   81.429   62.698
LGA    Q    24_A      Q    24_A     1.162     0    0.021   0.098     1.245   85.952   83.439
LGA    Y    25_A      Y    25_A     0.609     0    0.046   0.079     0.841   90.476   90.476
LGA    K    26_A      K    26_A     0.682     0    0.031   0.888     3.339   90.476   76.667
LGA    E    27_A      E    27_A     0.825     0    0.029   1.295     5.099   90.476   74.921
LGA    L    28_A      L    28_A     0.736     0    0.013   0.085     0.925   90.476   90.476
LGA    A    29_A      A    29_A     0.515     0    0.043   0.059     0.612   90.476   92.381
LGA    H    30_A      H    30_A     0.596     0    0.018   0.067     0.644   90.476   94.286
LGA    F    31_A      F    31_A     0.659     0    0.018   0.070     0.773   90.476   90.476
LGA    A    32_A      A    32_A     0.621     0    0.036   0.045     0.748   90.476   90.476
LGA    V    33_A      V    33_A     0.742     0    0.077   0.170     1.022   88.214   89.184
LGA    S    34_A      S    34_A     0.983     0    0.037   0.075     1.076   88.214   87.460
LGA    K    35_A      K    35_A     0.528     0    0.063   0.197     1.447   90.476   88.466
LGA    Q    36_A      Q    36_A     0.832     0    0.098   0.118     1.201   90.476   86.455
LGA    V    37_A      V    37_A     0.955     0    0.018   0.059     1.317   85.952   86.599
LGA    E    38_A      E    38_A     1.794     0    0.034   0.998     4.690   79.286   62.646
LGA    G    39_A      G    39_A     1.254     0    0.037   0.037     1.428   85.952   85.952
LGA    R    40_A      R    40_A     0.791     0    0.023   0.083     1.259   90.476   89.654
LGA    E    41_A      E    41_A     0.845     0    0.048   0.282     1.061   90.476   89.471
LGA    F    42_A      F    42_A     0.657     0    0.026   0.059     0.804   90.476   90.476
LGA    F    43_A      F    43_A     0.581     0    0.031   0.125     0.777   95.238   92.208
LGA    D    44_A      D    44_A     0.320     0    0.072   0.109     0.613  100.000   97.619
LGA    T    45_A      T    45_A     0.241     0    0.044   0.073     0.320  100.000  100.000
LGA    V    46_A      V    46_A     0.295     0    0.022   0.082     0.452  100.000  100.000
LGA    L    47_A      L    47_A     0.243     0    0.020   0.037     0.303  100.000  100.000
LGA    E    48_A      E    48_A     0.365     0    0.043   0.185     0.587  100.000   97.884
LGA    V    49_A      V    49_A     0.465     0    0.037   0.071     0.712   97.619   94.558
LGA    T    50_A      T    50_A     0.344     0    0.019   0.107     0.614  100.000   98.639
LGA    D    51_A      D    51_A     0.177     0    0.014   0.920     4.168  100.000   84.345
LGA    V    52_A      V    52_A     0.101     0    0.039   0.071     0.420  100.000  100.000
LGA    E    53_A      E    53_A     0.144     0    0.048   0.939     3.961  100.000   87.672
LGA    T    54_A      T    54_A     0.384     0    0.071   0.110     0.606   97.619   94.558
LGA    Q    55_A      Q    55_A     0.341     0    0.042   0.411     1.731   95.238   93.810
LGA    V    56_A      V    56_A     1.107     0    0.026   0.058     1.511   88.214   84.082
LGA    V    57_A      V    57_A     1.401     0    0.316   1.145     4.815   62.857   64.150
LGA    A    58_A      A    58_A     2.484     0    0.056   0.067     3.259   64.881   61.905
LGA    G    59_A      G    59_A     1.240     0    0.026   0.026     1.748   81.548   81.548
LGA    T    60_A      T    60_A     0.551     0    0.044   0.078     1.053   92.857   89.252
LGA    N    61_A      N    61_A     0.709     0    0.058   0.481     2.083   92.857   87.321
LGA    Y    62_A      Y    62_A     0.479     0    0.040   0.065     0.675   92.857   96.032
LGA    R    63_A      R    63_A     0.581     0    0.013   0.968     2.722   95.238   86.840
LGA    I    64_A      I    64_A     0.469     0    0.027   0.070     0.670   97.619   94.048
LGA    T    65_A      T    65_A     0.315     0    0.065   0.102     0.407  100.000  100.000
LGA    F    66_A      F    66_A     0.389     0    0.030   0.058     0.582  100.000   97.403
LGA    K    67_A      K    67_A     0.301     0    0.017   0.113     0.452  100.000  100.000
LGA    I    68_A      I    68_A     0.324     0    0.024   0.054     0.380  100.000  100.000
LGA    A    69_A      A    69_A     0.186     0    0.033   0.053     0.231  100.000  100.000
LGA    E    70_A      E    70_A     0.207     0    0.000   0.316     0.967  100.000   97.884
LGA    S    71_A      S    71_A     0.351     0    0.016   0.055     0.636   95.238   96.825
LGA    T    72_A      T    72_A     0.667     0    0.027   0.052     0.769   90.476   90.476
LGA    C    73_A      C    73_A     0.655     0    0.025   0.088     0.732   90.476   90.476
LGA    R    74_A      R    74_A     0.827     0    0.031   0.223     1.197   90.476   88.831
LGA    V    75_A      V    75_A     0.767     0    0.069   1.199     2.390   90.476   83.129
LGA    T    76_A      T    76_A     0.920     0    0.060   0.133     1.687   92.857   86.735
LGA    E    77_A      E    77_A     0.784     0    0.040   0.668     2.113   90.476   86.614
LGA    T    78_A      T    78_A     0.799     0    0.043   0.085     1.132   90.476   89.184
LGA    Y    79_A      Y    79_A     0.457     0    0.036   0.107     0.624   97.619   96.032
LGA    S    80_A      S    80_A     0.315     0    0.031   0.502     1.089  100.000   95.317
LGA    K    81_A      K    81_A     0.852     0    0.018   0.668     3.831   85.952   71.270
LGA    E    82_A      E    82_A     1.392     0    0.084   1.342     5.532   79.286   62.751
LGA    T    83_A      T    83_A     1.142     0    0.041   0.080     1.459   81.429   82.721
LGA    C    84_A      C    84_A     0.558     0    0.087   0.099     0.819   95.238   95.238
LGA    L    85_A      L    85_A     0.720     0    0.040   0.087     1.305   90.476   87.083
LGA    P    86_A      P    86_A     0.520     0    0.037   0.272     0.841   90.476   91.837
LGA    K    87_A      K    87_A     0.644     0    0.017   0.051     0.801   90.476   90.476
LGA    T    88_A      T    88_A     0.707     0    0.028   0.339     1.157   90.476   87.891
LGA    R    89_A      R    89_A     0.843     6    0.022   0.025     0.902   90.476   41.126
LGA    D    90_A      D    90_A     0.898     0    0.024   0.233     1.936   90.476   82.738
LGA    V    91_A      V    91_A     0.496     0    0.030   0.035     0.700   97.619   94.558
LGA    K    92_A      K    92_A     0.158     0    0.031   0.112     1.096  100.000   96.878
LGA    S    93_A      S    93_A     0.343     0    0.074   0.596     1.615  100.000   93.889
LGA    T    94_A      T    94_A     0.231     0    0.047   0.064     0.305  100.000  100.000
LGA    C    95_A      C    95_A     0.237     0    0.032   0.029     0.334  100.000  100.000
LGA    T    96_A      T    96_A     0.447     0    0.012   0.055     0.593  100.000   95.918
LGA    A    97_A      A    97_A     0.472     0    0.016   0.032     0.599   95.238   96.190
LGA    V    98_A      V    98_A     0.902     0    0.051   0.055     1.147   88.214   87.891
LGA    I    99_A      I    99_A     0.843     0    0.028   0.084     1.127   90.476   89.345
LGA    T   100_A      T   100_A     0.518     0    0.016   0.053     1.002   90.476   89.184
LGA    E   101_A      E   101_A     0.625     0    0.021   0.523     1.604   90.476   87.566
LGA    P   102_A      P   102_A     0.792     0    0.022   0.354     1.023   90.476   89.184
LGA    L   103_A      L   103_A     0.670     0    0.149   1.381     3.023   90.476   80.000
LGA    N   104_A      N   104_A     1.460     0    0.202   1.216     5.905   65.833   49.345
LGA    N   105_A      N   105_A     4.863     0    0.698   0.548    10.120   43.690   23.274
LGA    E   106_A      E   106_A     1.118     0    0.107   1.076     5.824   77.262   62.381
LGA    R   107_A      R   107_A     1.011     0    0.111   1.126     4.251   85.952   77.662
LGA    F   108_A      F   108_A     1.320     0    0.115   1.294     4.821   83.690   68.788
LGA    V   109_A      V   109_A     0.933     0    0.038   0.049     0.987   90.476   90.476
LGA    H   110_A      H   110_A     1.144     0    0.087   1.176     4.959   81.429   67.952
LGA    S   111_A      S   111_A     0.885     0    0.028   0.039     1.013   88.214   88.968
LGA    F   112_A      F   112_A     0.444     0    0.041   0.105     0.721   97.619   95.671
LGA    T   113_A      T   113_A     0.467     0    0.078   1.170     2.667  100.000   87.483
LGA    C   114_A      C   114_A     0.250     0    0.086   0.107     0.529   97.619   98.413
LGA    G   115_A      G   115_A     0.084     0    0.684   0.684     2.988   84.643   84.643

# 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):     1.096          1.107                  1.608           89.634   85.343

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  120  103    4.0    102    0.99    93.932    97.296     9.316

LGA_LOCAL      RMSD:   0.995  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.100  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.096  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.574735 * X  +  -0.370086 * Y  +   0.729874 * Z  + -28.496696
  Y_new =   0.443957 * X  +   0.608229 * Y  +   0.657997 * Z  +  31.390173
  Z_new =  -0.687446 * X  +   0.702206 * Y  +  -0.185268 * Z  +   1.552310 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.483875  0.757966  1.828755   [DEG:  142.3155   43.4283  104.7800 ]
ZXZ:  2.304451  1.757141 -0.774777   [DEG:  132.0353  100.6768  -44.3915 ]
 
# END of job
