
#######################################################
#                                                     #
#                        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       1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    93      23_A - 115_A       0.95     1.43
  LCS_AVERAGE:     82.89

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     15   55   87   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     24   73   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     24   73   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     24   73   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     24   74   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103     15   46   74   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      4    4   11   24   40   69   78  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      4  103  103      4    4   17   27   36   92  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A      9  103  103      4    5    7   13   20   37   61   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     83  103  103      4   20   57   91   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     93  103  103     21   71   90   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     93  103  103     22   66   90   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     93  103  103     26   75   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     93  103  103     39   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     93  103  103     39   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     93  103  103     39   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     93  103  103     40   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     93  103  103     18   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     93  103  103     26   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     93  103  103     26   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     93  103  103     26   63   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     93  103  103     40   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     93  103  103     39   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     93  103  103     41   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     93  103  103     36   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     93  103  103     35   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     93  103  103     37   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     93  103  103     29   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     93  103  103     27   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     93  103  103     36   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     93  103  103     36   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     93  103  103     41   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     93  103  103     34   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     93  103  103     12   73   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     93  103  103     41   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     93  103  103     29   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     93  103  103     40   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     93  103  103     34   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     93  103  103     39   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     93  103  103     39   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     93  103  103     32   73   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     93  103  103     21   64   90   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     93  103  103     38   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     93  103  103     37   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     93  103  103     26   70   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     93  103  103     32   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     93  103  103     37   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     93  103  103     16   72   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     93  103  103     13   76   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     93  103  103     37   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     93  103  103     40   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     93  103  103     40   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     93  103  103     39   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     93  103  103     27   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     93  103  103     29   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     93  103  103      5   62   90   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     93  103  103     27   76   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     93  103  103      3    4    4   11   20   92   95   99  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     93  103  103      3   30   72   93   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     93  103  103     40   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     93  103  103     42   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     93  103  103     40   77   91   97   98   99  100  100  102  102  102  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  94.30  (  82.89  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     42     77     91     97     98     99    100    100    102    102    102    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  40.78  74.76  88.35  94.17  95.15  96.12  97.09  97.09  99.03  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.57   0.74   0.86   0.89   0.95   1.05   1.05   1.25   1.25   1.25   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38
GDT RMS_ALL_AT   1.43   1.42   1.40   1.39   1.39   1.39   1.38   1.38   1.39   1.39   1.39   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  Y    79_A      Y    79_A
#   possible swapping detected:  E   101_A      E   101_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.999     0    0.660   0.660     2.664   71.071   71.071
LGA    W    14_A      W    14_A     1.138     0    0.081   0.092     1.671   79.286   79.626
LGA    Q    15_A      Q    15_A     1.110     0    0.051   1.264     5.198   85.952   71.905
LGA    K    16_A      K    16_A     1.131     0    0.037   0.862     4.180   81.429   67.831
LGA    K    17_A      K    17_A     1.073     0    0.105   0.659     1.649   81.429   82.540
LGA    T    18_A      T    18_A     2.114     0    0.057   0.191     5.187   53.095   47.415
LGA    P    19_A      P    19_A     4.604     0    0.660   0.783     6.885   38.929   30.272
LGA    V    20_A      V    20_A     4.497     0    0.118   1.191     7.916   35.714   25.306
LGA    D    21_A      D    21_A     6.203     0    0.269   1.041     7.969   24.405   16.905
LGA    N    22_A      N    22_A     3.387     0    0.036   0.113     4.444   57.738   50.595
LGA    E    23_A      E    23_A     1.431     0    0.049   0.526     2.252   81.905   76.931
LGA    Q    24_A      Q    24_A     1.606     0    0.043   0.547     4.220   77.143   61.587
LGA    Y    25_A      Y    25_A     1.094     0    0.081   0.300     1.956   81.429   80.040
LGA    K    26_A      K    26_A     0.651     0    0.037   0.841     3.477   95.238   88.095
LGA    E    27_A      E    27_A     0.493     0    0.023   1.250     5.313   92.857   72.698
LGA    L    28_A      L    28_A     0.671     0    0.034   0.271     1.115   90.476   89.345
LGA    A    29_A      A    29_A     0.386     0    0.026   0.041     0.530   97.619   98.095
LGA    H    30_A      H    30_A     0.330     0    0.042   0.061     0.522  100.000   99.048
LGA    F    31_A      F    31_A     0.451     0    0.017   0.117     0.837  100.000   95.671
LGA    A    32_A      A    32_A     0.283     0    0.039   0.037     0.361  100.000  100.000
LGA    V    33_A      V    33_A     0.329     0    0.072   1.303     2.643   95.238   86.122
LGA    S    34_A      S    34_A     0.881     0    0.054   0.101     1.114   88.214   85.952
LGA    K    35_A      K    35_A     0.278     0    0.146   0.921     5.439   97.619   76.296
LGA    Q    36_A      Q    36_A     0.796     0    0.025   0.183     1.550   92.857   85.556
LGA    V    37_A      V    37_A     1.097     0    0.094   0.116     1.169   83.690   84.014
LGA    E    38_A      E    38_A     1.685     0    0.052   0.964     4.451   79.286   65.608
LGA    G    39_A      G    39_A     0.873     0    0.100   0.100     1.157   90.595   90.595
LGA    R    40_A      R    40_A     0.474     0    0.031   0.218     0.945   92.857   93.939
LGA    E    41_A      E    41_A     0.752     0    0.106   0.847     2.470   97.619   87.778
LGA    F    42_A      F    42_A     0.362     0    0.075   0.104     1.028  100.000   94.848
LGA    F    43_A      F    43_A     0.436     0    0.046   0.135     1.047   97.619   92.294
LGA    D    44_A      D    44_A     0.337     0    0.030   1.261     4.745  100.000   80.714
LGA    T    45_A      T    45_A     0.255     0    0.043   0.130     0.670  100.000   98.639
LGA    V    46_A      V    46_A     0.566     0    0.034   0.971     2.636   92.857   85.782
LGA    L    47_A      L    47_A     0.754     0    0.053   0.140     1.306   90.476   87.083
LGA    E    48_A      E    48_A     0.635     0    0.025   0.408     1.601   90.476   89.577
LGA    V    49_A      V    49_A     0.669     0    0.081   0.124     0.894   90.476   90.476
LGA    T    50_A      T    50_A     0.584     0    0.083   1.020     2.748   90.476   84.558
LGA    D    51_A      D    51_A     0.651     0    0.038   0.542     2.262   92.857   85.119
LGA    V    52_A      V    52_A     0.752     0    0.027   0.060     0.817   90.476   90.476
LGA    E    53_A      E    53_A     0.452     0    0.029   0.916     2.785   97.619   89.947
LGA    T    54_A      T    54_A     0.207     0    0.021   0.076     0.476  100.000  100.000
LGA    Q    55_A      Q    55_A     0.578     0    0.059   0.617     1.431   92.857   87.513
LGA    V    56_A      V    56_A     0.647     0    0.037   1.036     2.456   90.476   84.490
LGA    V    57_A      V    57_A     0.941     0    0.051   1.064     2.823   88.214   80.748
LGA    A    58_A      A    58_A     1.289     0    0.065   0.074     1.403   81.429   81.429
LGA    G    59_A      G    59_A     0.706     0    0.069   0.069     0.893   90.476   90.476
LGA    T    60_A      T    60_A     0.958     0    0.032   0.085     1.294   90.476   86.599
LGA    N    61_A      N    61_A     0.829     0    0.037   0.958     2.791   90.476   78.810
LGA    Y    62_A      Y    62_A     0.170     0    0.033   0.202     0.905  100.000   96.825
LGA    R    63_A      R    63_A     0.142     0    0.025   0.607     1.591  100.000   92.511
LGA    I    64_A      I    64_A     0.345     0    0.032   0.093     1.040   97.619   92.917
LGA    T    65_A      T    65_A     0.403     0    0.045   1.015     2.307  100.000   91.088
LGA    F    66_A      F    66_A     0.584     0    0.044   0.148     1.039   90.476   90.519
LGA    K    67_A      K    67_A     0.613     0    0.039   0.865     4.968   90.476   78.413
LGA    I    68_A      I    68_A     0.726     0    0.028   0.060     1.217   85.952   88.274
LGA    A    69_A      A    69_A     1.040     0    0.055   0.068     1.332   90.595   88.762
LGA    E    70_A      E    70_A     0.346     0    0.030   0.365     1.420  100.000   95.820
LGA    S    71_A      S    71_A     0.397     0    0.046   0.071     0.562   95.238   96.825
LGA    T    72_A      T    72_A     0.786     0    0.049   0.122     0.925   90.476   90.476
LGA    C    73_A      C    73_A     0.820     0    0.031   0.081     1.020   90.476   88.968
LGA    R    74_A      R    74_A     1.276     0    0.045   1.057     4.819   79.286   65.108
LGA    V    75_A      V    75_A     1.655     0    0.726   0.660     4.602   62.619   67.075
LGA    T    76_A      T    76_A     0.811     0    0.069   1.393     3.109   88.214   77.619
LGA    E    77_A      E    77_A     1.251     0    0.089   0.612     2.171   83.690   79.630
LGA    T    78_A      T    78_A     1.683     0    0.029   1.107     4.138   77.143   66.939
LGA    Y    79_A      Y    79_A     1.089     0    0.021   0.131     1.341   83.690   89.841
LGA    S    80_A      S    80_A     0.858     0    0.035   0.056     1.093   90.476   88.968
LGA    K    81_A      K    81_A     0.509     0    0.087   1.012     4.870   88.214   70.635
LGA    E    82_A      E    82_A     1.613     0    0.149   1.450     4.303   72.976   66.296
LGA    T    83_A      T    83_A     1.392     0    0.075   1.226     3.329   79.286   73.333
LGA    C    84_A      C    84_A     0.916     0    0.063   0.084     1.089   90.476   88.968
LGA    L    85_A      L    85_A     0.982     0    0.040   0.878     3.155   88.214   77.738
LGA    P    86_A      P    86_A     0.497     0    0.043   0.200     1.315   92.857   89.252
LGA    K    87_A      K    87_A     0.451     0    0.078   0.736     2.711   97.619   87.090
LGA    T    88_A      T    88_A     0.620     0    0.040   0.974     2.715   90.476   83.197
LGA    R    89_A      R    89_A     0.346     6    0.083   0.078     0.780   95.238   42.857
LGA    D    90_A      D    90_A     0.641     0    0.047   0.868     4.007   90.476   72.857
LGA    V    91_A      V    91_A     0.561     0    0.041   0.084     0.659   90.476   91.837
LGA    K    92_A      K    92_A     0.559     0    0.020   0.336     0.986   92.857   92.593
LGA    S    93_A      S    93_A     0.615     0    0.057   0.135     0.803   92.857   92.063
LGA    T    94_A      T    94_A     0.781     0    0.040   0.140     1.435   90.476   86.599
LGA    C    95_A      C    95_A     0.550     0    0.026   0.086     0.584   90.476   90.476
LGA    T    96_A      T    96_A     0.526     0    0.047   0.066     0.817   95.238   93.197
LGA    A    97_A      A    97_A     0.449     0    0.039   0.056     0.523   97.619   96.190
LGA    V    98_A      V    98_A     0.386     0    0.047   0.071     0.484  100.000  100.000
LGA    I    99_A      I    99_A     0.477     0    0.030   0.485     1.510  100.000   93.036
LGA    T   100_A      T   100_A     0.718     0    0.057   0.976     2.025   90.476   84.286
LGA    E   101_A      E   101_A     0.903     0    0.158   0.718     2.968   88.214   75.503
LGA    P   102_A      P   102_A     0.853     0    0.068   0.193     1.514   83.810   86.667
LGA    L   103_A      L   103_A     1.677     0    0.043   1.080     5.943   72.976   59.107
LGA    N   104_A      N   104_A     1.234     0    0.061   0.855     3.661   67.500   61.905
LGA    N   105_A      N   105_A     5.212     0    0.621   1.274     8.959   40.714   22.798
LGA    E   106_A      E   106_A     2.479     0    0.157   1.388     8.935   55.714   34.127
LGA    R   107_A      R   107_A     0.779     0    0.097   1.262     4.610   90.476   75.801
LGA    F   108_A      F   108_A     0.378     0    0.030   0.100     0.879   97.619   95.671
LGA    V   109_A      V   109_A     0.277     0    0.023   0.089     0.336  100.000  100.000
LGA    H   110_A      H   110_A     0.362     0    0.024   0.079     1.196  100.000   92.476
LGA    S   111_A      S   111_A     0.243     0    0.026   0.044     0.393  100.000  100.000
LGA    F   112_A      F   112_A     0.206     0    0.038   0.163     0.421  100.000  100.000
LGA    T   113_A      T   113_A     0.497     0    0.045   1.082     2.706   95.238   86.122
LGA    C   114_A      C   114_A     0.644     0    0.034   0.631     1.587   90.476   87.540
LGA    G   115_A      G   115_A     0.984     0    0.708   0.708     2.818   82.143   82.143

# 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):     1.383          1.372                  1.957           87.272   81.353

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    100    1.05    91.505    95.725     8.685

LGA_LOCAL      RMSD:   1.051  Number of atoms:  100  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.384  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.383  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.591742 * X  +  -0.684702 * Y  +  -0.425470 * Z  + -11.907422
  Y_new =   0.658504 * X  +  -0.715009 * Y  +   0.234808 * Z  +  29.157799
  Z_new =  -0.464988 * X  +  -0.141228 * Y  +   0.873980 * Z  +  -3.048981 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.302846  0.483621 -0.160207   [DEG:  131.9434   27.7095   -9.1792 ]
ZXZ: -2.075081  0.507464 -1.865666   [DEG: -118.8934   29.0755 -106.8948 ]
 
# END of job
