
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  121 (  938),  selected  103 , name one
# Molecule2: number of CA atoms  103 (  817),  selected  103 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.10     1.10
  LCS_AVERAGE:    100.00

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

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94      22_A - 115_A       0.99     1.10
  LCS_AVERAGE:     91.09

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     92  103  103     18   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     92  103  103     53   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     92  103  103     53   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     92  103  103     56   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     92  103  103     53   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     92  103  103     18   82   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     92  103  103      3    4    4   31   67   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     92  103  103      3    4    4   17   48  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     92  103  103      3   69   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     94  103  103     43   82   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     94  103  103     45   83   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     94  103  103     47   83   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     94  103  103     56   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     94  103  103     10   82   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     94  103  103      9   34   83   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     94  103  103      9   79   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     94  103  103     49   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     94  103  103     53   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     94  103  103     53   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     94  103  103     18   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     94  103  103     18   81   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     94  103  103     11   24   45   98  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     94  103  103     18   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     94  103  103     44   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     94  103  103     53   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     94  103  103     58   83   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     94  103  103     13   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     94  103  103     38   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     94  103  103     45   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     94  103  103     45   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     94  103  103     45   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     94  103  103     53   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     94  103  103     43   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     94  103  103     23   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     94  103  103     22   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     94  103  103      3    3   86   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     94  103  103      3    3    3    5    9   63   91   96  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     94  103  103      3   30   93   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     94  103  103      3   32   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     94  103  103     13   82   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     94  103  103     53   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     94  103  103     58   83   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     94  103  103     58   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     94  103  103     44   84   95   99  100  100  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  97.03  (  91.09  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     58     84     95     99    100    100    101    102    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  56.31  81.55  92.23  96.12  97.09  97.09  98.06  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.57   0.68   0.78   0.82   0.82   0.88   0.95   0.95   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   1.33   1.12   1.12   1.11   1.11   1.11   1.11   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

# 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:  F    42_A      F    42_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    70_A      E    70_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     1.184     0    0.173   0.173     1.184   85.952   85.952
LGA    W    14_A      W    14_A     0.433     0    0.020   0.064     0.773   95.238   93.197
LGA    Q    15_A      Q    15_A     0.132     0    0.057   1.013     2.710  100.000   91.164
LGA    K    16_A      K    16_A     0.361     0    0.049   0.239     2.196   97.619   86.878
LGA    K    17_A      K    17_A     0.294     0    0.021   0.585     1.585   95.238   91.746
LGA    T    18_A      T    18_A     1.193     0    0.101   0.153     3.461   69.762   72.449
LGA    P    19_A      P    19_A     3.664     0    0.411   0.392     7.087   49.167   34.490
LGA    V    20_A      V    20_A     3.506     0    0.502   0.976     8.007   51.548   34.490
LGA    D    21_A      D    21_A     1.742     0    0.225   1.163     4.967   70.833   57.500
LGA    N    22_A      N    22_A     1.428     0    0.070   0.446     1.428   81.429   82.560
LGA    E    23_A      E    23_A     1.221     0    0.056   0.739     3.162   81.429   74.233
LGA    Q    24_A      Q    24_A     1.189     0    0.047   0.116     1.318   81.429   85.450
LGA    Y    25_A      Y    25_A     0.794     0    0.048   0.118     0.984   90.476   90.476
LGA    K    26_A      K    26_A     0.731     0    0.029   0.759     1.853   90.476   83.598
LGA    E    27_A      E    27_A     0.784     0    0.029   1.038     3.208   90.476   81.164
LGA    L    28_A      L    28_A     0.738     0    0.036   0.097     0.943   90.476   90.476
LGA    A    29_A      A    29_A     0.618     0    0.040   0.057     0.686   90.476   90.476
LGA    H    30_A      H    30_A     0.640     0    0.012   0.092     0.653   90.476   94.286
LGA    F    31_A      F    31_A     0.689     0    0.019   0.144     0.819   90.476   92.208
LGA    A    32_A      A    32_A     0.628     0    0.049   0.060     0.676   90.476   90.476
LGA    V    33_A      V    33_A     0.521     0    0.088   0.801     2.217   90.476   86.871
LGA    S    34_A      S    34_A     0.622     0    0.032   0.542     2.197   90.476   86.190
LGA    K    35_A      K    35_A     0.506     0    0.075   0.225     2.223   95.238   86.772
LGA    Q    36_A      Q    36_A     0.615     0    0.157   0.208     1.523   90.476   86.508
LGA    V    37_A      V    37_A     1.179     0    0.014   0.058     1.537   79.286   78.980
LGA    E    38_A      E    38_A     2.018     0    0.040   1.126     5.754   72.976   53.704
LGA    G    39_A      G    39_A     1.304     0    0.046   0.046     1.536   83.810   83.810
LGA    R    40_A      R    40_A     0.635     0    0.019   1.022     3.423   90.476   84.416
LGA    E    41_A      E    41_A     0.756     0    0.053   0.723     1.814   90.476   86.561
LGA    F    42_A      F    42_A     0.630     0    0.014   0.060     0.925   92.857   91.342
LGA    F    43_A      F    43_A     0.537     0    0.031   0.126     0.819   95.238   92.208
LGA    D    44_A      D    44_A     0.141     0    0.037   0.076     0.415  100.000  100.000
LGA    T    45_A      T    45_A     0.103     0    0.055   0.086     0.180  100.000  100.000
LGA    V    46_A      V    46_A     0.398     0    0.015   0.066     0.608  100.000   95.918
LGA    L    47_A      L    47_A     0.383     0    0.057   0.069     0.806   95.238   97.619
LGA    E    48_A      E    48_A     0.571     0    0.034   0.551     1.648   95.238   88.624
LGA    V    49_A      V    49_A     0.476     0    0.026   0.047     0.646   95.238   93.197
LGA    T    50_A      T    50_A     0.232     0    0.009   0.080     0.430  100.000  100.000
LGA    D    51_A      D    51_A     0.158     0    0.016   0.985     4.301  100.000   86.429
LGA    V    52_A      V    52_A     0.178     0    0.035   0.044     0.355  100.000  100.000
LGA    E    53_A      E    53_A     0.211     0    0.043   0.957     3.804  100.000   87.672
LGA    T    54_A      T    54_A     0.274     0    0.063   0.090     0.571  100.000   98.639
LGA    Q    55_A      Q    55_A     0.310     0    0.036   0.531     1.990   95.238   92.751
LGA    V    56_A      V    56_A     1.010     0    0.034   0.061     1.435   88.214   85.306
LGA    V    57_A      V    57_A     1.275     0    0.332   1.123     4.887   62.857   64.150
LGA    A    58_A      A    58_A     2.498     0    0.037   0.048     3.287   64.881   61.905
LGA    G    59_A      G    59_A     1.179     0    0.011   0.011     1.673   81.548   81.548
LGA    T    60_A      T    60_A     0.592     0    0.065   0.082     1.046   90.476   87.891
LGA    N    61_A      N    61_A     0.732     0    0.061   0.434     1.936   90.476   88.274
LGA    Y    62_A      Y    62_A     0.534     0    0.022   0.094     0.794   90.476   90.476
LGA    R    63_A      R    63_A     0.431     0    0.025   0.706     2.634   97.619   84.762
LGA    I    64_A      I    64_A     0.342     0    0.020   0.085     0.717  100.000   97.619
LGA    T    65_A      T    65_A     0.251     0    0.038   0.058     0.328  100.000  100.000
LGA    F    66_A      F    66_A     0.362     0    0.018   0.104     0.628  100.000   98.268
LGA    K    67_A      K    67_A     0.297     0    0.013   0.155     0.764  100.000   97.884
LGA    I    68_A      I    68_A     0.297     0    0.024   0.039     0.354  100.000  100.000
LGA    A    69_A      A    69_A     0.227     0    0.025   0.042     0.300  100.000  100.000
LGA    E    70_A      E    70_A     0.277     0    0.012   0.297     1.218  100.000   97.937
LGA    S    71_A      S    71_A     0.384     0    0.020   0.052     0.588   95.238   96.825
LGA    T    72_A      T    72_A     0.707     0    0.016   0.041     0.776   90.476   90.476
LGA    C    73_A      C    73_A     0.690     0    0.027   0.082     0.800   90.476   90.476
LGA    R    74_A      R    74_A     0.708     0    0.036   0.830     3.101   90.476   83.506
LGA    V    75_A      V    75_A     0.650     0    0.036   0.058     0.809   90.476   90.476
LGA    T    76_A      T    76_A     1.020     0    0.122   0.180     2.070   88.214   82.925
LGA    E    77_A      E    77_A     0.764     0    0.045   0.993     4.282   90.476   77.143
LGA    T    78_A      T    78_A     0.720     0    0.028   0.063     0.874   92.857   91.837
LGA    Y    79_A      Y    79_A     0.604     0    0.021   0.208     0.754   90.476   91.270
LGA    S    80_A      S    80_A     0.472     0    0.067   0.634     2.754  100.000   91.270
LGA    K    81_A      K    81_A     0.716     0    0.024   0.524     1.689   90.476   83.545
LGA    E    82_A      E    82_A     0.953     0    0.074   0.947     3.485   88.214   74.656
LGA    T    83_A      T    83_A     0.869     0    0.050   0.064     1.161   88.214   87.891
LGA    C    84_A      C    84_A     0.424     0    0.099   0.095     0.832  100.000   98.413
LGA    L    85_A      L    85_A     0.683     0    0.030   0.091     1.556   90.476   86.012
LGA    P    86_A      P    86_A     0.400     0    0.040   0.276     0.751   95.238   94.558
LGA    K    87_A      K    87_A     0.527     0    0.017   0.088     0.629   92.857   92.593
LGA    T    88_A      T    88_A     0.475     0    0.056   0.926     2.581  100.000   88.844
LGA    R    89_A      R    89_A     0.612     6    0.039   0.040     0.669   90.476   41.126
LGA    D    90_A      D    90_A     0.727     0    0.027   0.359     2.001   95.238   87.381
LGA    V    91_A      V    91_A     0.437     0    0.012   0.020     0.559   97.619   97.279
LGA    K    92_A      K    92_A     0.227     0    0.040   0.163     1.411  100.000   95.820
LGA    S    93_A      S    93_A     0.218     0    0.073   0.692     1.993  100.000   93.889
LGA    T    94_A      T    94_A     0.057     0    0.037   0.066     0.233  100.000  100.000
LGA    C    95_A      C    95_A     0.092     0    0.028   0.040     0.185  100.000  100.000
LGA    T    96_A      T    96_A     0.267     0    0.018   0.038     0.371  100.000  100.000
LGA    A    97_A      A    97_A     0.215     0    0.026   0.029     0.435  100.000  100.000
LGA    V    98_A      V    98_A     0.873     0    0.022   0.031     1.244   90.476   87.891
LGA    I    99_A      I    99_A     0.955     0    0.019   0.465     1.262   90.476   88.214
LGA    T   100_A      T   100_A     0.580     0    0.008   0.031     0.701   90.476   90.476
LGA    E   101_A      E   101_A     0.564     0    0.042   0.504     1.459   90.476   89.471
LGA    P   102_A      P   102_A     0.963     0    0.033   0.366     1.244   90.476   87.891
LGA    L   103_A      L   103_A     1.139     0    0.140   1.137     2.444   81.429   76.190
LGA    N   104_A      N   104_A     2.092     0    0.216   0.842     4.901   53.095   56.071
LGA    N   105_A      N   105_A     5.810     0    0.680   0.546    11.455   33.214   17.202
LGA    E   106_A      E   106_A     1.871     0    0.130   1.056     6.653   65.119   51.587
LGA    R   107_A      R   107_A     1.439     0    0.141   1.139     4.176   81.429   72.121
LGA    F   108_A      F   108_A     1.168     0    0.145   1.278     5.080   83.690   66.840
LGA    V   109_A      V   109_A     0.723     0    0.042   0.060     0.758   90.476   91.837
LGA    H   110_A      H   110_A     0.950     0    0.077   1.105     3.238   88.214   76.857
LGA    S   111_A      S   111_A     0.676     0    0.033   0.038     0.812   92.857   92.063
LGA    F   112_A      F   112_A     0.246     0    0.054   0.131     0.599  100.000   98.268
LGA    T   113_A      T   113_A     0.263     0    0.112   1.194     2.606   97.619   87.483
LGA    C   114_A      C   114_A     0.275     0    0.131   0.142     0.696   97.619   98.413
LGA    G   115_A      G   115_A     0.616     0    0.554   0.554     3.380   78.333   78.333

# 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):     1.102          1.123                  1.625           89.769   85.562

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    0.95    94.175    97.113     9.696

LGA_LOCAL      RMSD:   0.952  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.107  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.102  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.970824 * X  +   0.238365 * Y  +  -0.026132 * Z  + -29.377857
  Y_new =  -0.238089 * X  +  -0.945216 * Y  +   0.223341 * Z  +  28.255907
  Z_new =   0.028536 * X  +   0.223046 * Y  +   0.974390 * Z  +   1.289793 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.901095 -0.028540  0.225032   [DEG: -166.2205   -1.6352   12.8934 ]
ZXZ: -3.025118  0.226804  0.127248   [DEG: -173.3265   12.9949    7.2908 ]
 
# END of job
