
#######################################################
#                                                     #
#                        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       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      21_A - 115_A       1.00     1.14
  LCS_AVERAGE:     86.33

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     31   82   96   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     42   83   96   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     43   83   96   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     43   83   96   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     38   83   96   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103     13   36   96   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      3    3    7   24   32   66   76  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     85  103  103      3    5    6   51   83  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    5   11   41   85  100  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   93   98   99  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     43   81   96   98   99  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   81   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     49   83   96   98   99  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     51   83   96   98   99  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     15   79   96   98   99  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     10   31   84   98   99  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     11   55   96   98   99  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     49   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     49   83   96   98   99  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     49   83   96   98   99  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     49   83   96   98   99  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     49   83   96   98   99  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     42   83   96   98   99  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     42   83   96   98   99  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     11   82   96   98   99  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     17   66   96   98   99  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      4   28   53   97   99   99  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     21   82   96   98   99  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     37   83   96   98   99  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     36   83   96   98   99  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     50   83   96   98   99  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     49   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     35   83   96   98   99  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      6   83   96   98   99  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      8   83   96   98   99  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     51   83   96   98   99  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     19   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     51   83   96   98   99  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     49   83   96   98   99  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     43   83   96   98   99  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     32   83   96   98   99  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     41   83   96   98   99  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     38   83   96   98   99  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     38   83   96   98   99  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     38   83   96   98   99  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      3   24   96   98   99  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    6   11   85  101  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   73   96   98   99  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      6   78   96   98   99  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     11   66   96   98   99  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     43   83   96   98   99  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     43   83   96   98   99  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     43   83   96   98   99  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     51   83   96   98   99  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     49   83   96   98   99  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     51   83   96   98   99  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     31   83   96   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  95.44  (  86.33  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     51     83     96     98     99    100    101    102    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  49.51  80.58  93.20  95.15  96.12  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    0.32   0.56   0.72   0.77   0.81   0.90   0.93   1.03   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13
GDT RMS_ALL_AT   1.42   1.16   1.14   1.14   1.13   1.14   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  F    31_A      F    31_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:  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     1.053     0    0.080   0.080     1.112   85.952   85.952
LGA    W    14_A      W    14_A     0.427     0    0.011   0.084     0.730   97.619   95.918
LGA    Q    15_A      Q    15_A     0.463     0    0.026   1.055     2.777  100.000   90.106
LGA    K    16_A      K    16_A     0.470     0    0.024   0.283     2.007   95.238   84.815
LGA    K    17_A      K    17_A     0.565     0    0.078   0.585     1.713   92.857   88.730
LGA    T    18_A      T    18_A     1.661     0    0.119   0.144     4.168   60.357   62.449
LGA    P    19_A      P    19_A     4.515     0    0.674   0.608     7.215   40.833   29.660
LGA    V    20_A      V    20_A     3.254     0    0.185   1.330     7.358   51.071   41.293
LGA    D    21_A      D    21_A     3.459     0    0.022   1.168     4.647   50.119   47.024
LGA    N    22_A      N    22_A     1.788     0    0.073   0.138     2.347   75.000   72.917
LGA    E    23_A      E    23_A     1.184     0    0.019   0.768     2.969   81.429   76.825
LGA    Q    24_A      Q    24_A     1.192     0    0.021   0.363     2.134   81.429   79.577
LGA    Y    25_A      Y    25_A     0.823     0    0.056   0.131     1.036   88.214   87.460
LGA    K    26_A      K    26_A     0.739     0    0.027   0.831     2.919   90.476   79.101
LGA    E    27_A      E    27_A     0.802     0    0.022   1.436     5.478   90.476   73.333
LGA    L    28_A      L    28_A     0.774     0    0.022   0.119     1.198   90.476   89.345
LGA    A    29_A      A    29_A     0.526     0    0.027   0.034     0.627   90.476   92.381
LGA    H    30_A      H    30_A     0.602     0    0.033   0.053     0.635   90.476   94.286
LGA    F    31_A      F    31_A     0.663     0    0.023   0.108     0.863   90.476   92.208
LGA    A    32_A      A    32_A     0.627     0    0.021   0.026     0.651   90.476   90.476
LGA    V    33_A      V    33_A     0.486     0    0.051   0.757     2.109   92.857   88.231
LGA    S    34_A      S    34_A     0.618     0    0.045   0.055     0.776   90.476   90.476
LGA    K    35_A      K    35_A     0.356     0    0.081   0.285     2.116  100.000   89.841
LGA    Q    36_A      Q    36_A     0.507     0    0.116   0.224     1.683   95.238   88.624
LGA    V    37_A      V    37_A     1.183     0    0.029   0.052     1.651   79.405   79.048
LGA    E    38_A      E    38_A     2.144     0    0.018   1.096     5.998   70.833   51.429
LGA    G    39_A      G    39_A     1.475     0    0.045   0.045     1.721   83.810   83.810
LGA    R    40_A      R    40_A     0.602     0    0.022   1.021     3.759   90.476   82.294
LGA    E    41_A      E    41_A     0.606     0    0.047   0.726     1.740   92.857   87.619
LGA    F    42_A      F    42_A     0.637     0    0.022   0.068     0.913   92.857   91.342
LGA    F    43_A      F    43_A     0.676     0    0.015   0.146     0.831   95.238   92.208
LGA    D    44_A      D    44_A     0.057     0    0.064   0.111     0.643  100.000   98.810
LGA    T    45_A      T    45_A     0.122     0    0.052   0.124     0.391  100.000  100.000
LGA    V    46_A      V    46_A     0.507     0    0.018   0.071     0.693   95.238   93.197
LGA    L    47_A      L    47_A     0.458     0    0.032   0.119     0.511   97.619   98.810
LGA    E    48_A      E    48_A     0.457     0    0.037   0.652     2.331  100.000   92.910
LGA    V    49_A      V    49_A     0.440     0    0.043   0.063     0.646  100.000   98.639
LGA    T    50_A      T    50_A     0.408     0    0.013   0.092     0.620  100.000   97.279
LGA    D    51_A      D    51_A     0.368     0    0.024   0.925     4.104  100.000   84.345
LGA    V    52_A      V    52_A     0.282     0    0.017   0.029     0.466  100.000  100.000
LGA    E    53_A      E    53_A     0.220     0    0.044   0.944     3.531  100.000   88.624
LGA    T    54_A      T    54_A     0.339     0    0.010   0.060     0.556  100.000   98.639
LGA    Q    55_A      Q    55_A     0.420     0    0.067   0.304     1.167   95.238   94.762
LGA    V    56_A      V    56_A     1.171     0    0.015   0.052     1.504   85.952   82.789
LGA    V    57_A      V    57_A     1.450     0    0.341   1.148     4.751   62.857   64.150
LGA    A    58_A      A    58_A     2.521     0    0.038   0.038     3.241   62.976   60.381
LGA    G    59_A      G    59_A     1.148     0    0.078   0.078     1.580   81.548   81.548
LGA    T    60_A      T    60_A     0.592     0    0.035   0.065     0.827   90.476   90.476
LGA    N    61_A      N    61_A     0.695     0    0.065   0.423     1.841   95.238   90.655
LGA    Y    62_A      Y    62_A     0.510     0    0.034   0.115     0.730   90.476   90.476
LGA    R    63_A      R    63_A     0.318     0    0.065   0.734     2.395  100.000   87.056
LGA    I    64_A      I    64_A     0.357     0    0.027   0.052     0.571  100.000   97.619
LGA    T    65_A      T    65_A     0.276     0    0.058   0.072     0.392  100.000  100.000
LGA    F    66_A      F    66_A     0.431     0    0.029   0.095     0.573  100.000   98.268
LGA    K    67_A      K    67_A     0.390     0    0.022   0.171     0.658  100.000   98.942
LGA    I    68_A      I    68_A     0.417     0    0.017   0.036     0.517  100.000   98.810
LGA    A    69_A      A    69_A     0.290     0    0.033   0.048     0.517  100.000   98.095
LGA    E    70_A      E    70_A     0.416     0    0.013   0.384     1.890  100.000   93.810
LGA    S    71_A      S    71_A     0.510     0    0.017   0.373     1.761   92.857   90.714
LGA    T    72_A      T    72_A     0.779     0    0.051   0.070     1.064   90.476   87.891
LGA    C    73_A      C    73_A     0.797     0    0.023   0.117     1.257   90.476   88.968
LGA    R    74_A      R    74_A     0.775     0    0.021   0.780     3.154   90.476   83.506
LGA    V    75_A      V    75_A     0.793     0    0.051   0.070     1.057   90.476   89.184
LGA    T    76_A      T    76_A     1.010     0    0.107   0.169     1.963   90.595   85.442
LGA    E    77_A      E    77_A     0.705     0    0.073   0.275     1.256   90.476   89.471
LGA    T    78_A      T    78_A     0.686     0    0.013   0.076     0.993   92.857   91.837
LGA    Y    79_A      Y    79_A     0.479     0    0.017   0.149     0.710   97.619   96.825
LGA    S    80_A      S    80_A     0.416     0    0.074   0.630     2.307  100.000   92.540
LGA    K    81_A      K    81_A     0.782     0    0.013   0.668     4.808   88.214   69.418
LGA    E    82_A      E    82_A     1.132     0    0.085   0.905     3.534   81.548   73.492
LGA    T    83_A      T    83_A     1.025     0    0.032   0.042     1.290   85.952   85.306
LGA    C    84_A      C    84_A     0.500     0    0.050   0.074     0.674   97.619   96.825
LGA    L    85_A      L    85_A     0.827     0    0.023   0.126     2.016   90.476   81.726
LGA    P    86_A      P    86_A     0.503     0    0.035   0.241     0.970   90.476   90.476
LGA    K    87_A      K    87_A     0.783     0    0.039   0.104     1.324   88.214   87.460
LGA    T    88_A      T    88_A     0.664     0    0.036   0.114     0.703   90.476   91.837
LGA    R    89_A      R    89_A     0.766     6    0.062   0.059     0.867   90.476   41.126
LGA    D    90_A      D    90_A     0.604     0    0.025   0.356     1.746   95.238   88.393
LGA    V    91_A      V    91_A     0.357     0    0.030   0.049     0.497  100.000  100.000
LGA    K    92_A      K    92_A     0.145     0    0.018   0.129     1.248  100.000   94.762
LGA    S    93_A      S    93_A     0.395     0    0.056   0.683     2.033   97.619   90.952
LGA    T    94_A      T    94_A     0.338     0    0.060   0.080     0.362  100.000  100.000
LGA    C    95_A      C    95_A     0.243     0    0.013   0.051     0.505  100.000   98.413
LGA    T    96_A      T    96_A     0.222     0    0.021   0.035     0.362  100.000  100.000
LGA    A    97_A      A    97_A     0.270     0    0.018   0.026     0.350  100.000  100.000
LGA    V    98_A      V    98_A     0.779     0    0.044   0.058     1.183   90.476   89.184
LGA    I    99_A      I    99_A     0.914     0    0.039   0.203     1.156   90.476   90.536
LGA    T   100_A      T   100_A     0.667     0    0.015   0.044     1.032   90.476   89.184
LGA    E   101_A      E   101_A     0.640     0    0.025   0.537     1.576   90.476   85.503
LGA    P   102_A      P   102_A     0.736     0    0.047   0.299     0.876   90.476   90.476
LGA    L   103_A      L   103_A     0.631     0    0.067   1.359     3.095   90.476   79.048
LGA    N   104_A      N   104_A     1.245     0    0.184   0.178     4.356   65.833   59.940
LGA    N   105_A      N   105_A     4.898     0    0.636   0.527    10.157   43.690   23.512
LGA    E   106_A      E   106_A     1.419     0    0.116   1.007     6.152   75.119   59.524
LGA    R   107_A      R   107_A     1.100     0    0.079   1.084     4.408   81.429   73.723
LGA    F   108_A      F   108_A     1.373     0    0.115   1.262     4.821   81.429   68.788
LGA    V   109_A      V   109_A     0.765     0    0.040   0.042     0.862   90.476   91.837
LGA    H   110_A      H   110_A     0.978     0    0.041   1.236     4.965   90.476   73.095
LGA    S   111_A      S   111_A     0.659     0    0.051   0.584     2.421   90.476   86.190
LGA    F   112_A      F   112_A     0.213     0    0.090   0.194     0.763  100.000   97.403
LGA    T   113_A      T   113_A     0.282     0    0.104   1.183     2.792  100.000   88.844
LGA    C   114_A      C   114_A     0.527     0    0.072   0.085     0.833   92.857   92.063
LGA    G   115_A      G   115_A     0.739     0    0.675   0.675     3.209   78.095   78.095

# 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):     1.129          1.135                  1.619           89.616   85.062

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    1.03    93.689    97.024     9.032

LGA_LOCAL      RMSD:   1.029  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.132  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.129  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.653269 * X  +   0.197769 * Y  +   0.730840 * Z  + -29.322317
  Y_new =   0.722659 * X  +  -0.125059 * Y  +   0.679797 * Z  +  31.712469
  Z_new =   0.225841 * X  +   0.972238 * Y  +  -0.061223 * Z  +  -0.288031 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.305805 -0.227806  1.633684   [DEG:  132.1129  -13.0523   93.6032 ]
ZXZ:  2.320026  1.632058  0.228242   [DEG:  132.9277   93.5100   13.0773 ]
 
# END of job
