
#######################################################
#                                                     #
#                        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       1.49     1.49
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.49     1.49
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      34_A - 102_A       1.00     1.60
  LONGEST_CONTINUOUS_SEGMENT:    69      35_A - 103_A       0.98     1.59
  LONGEST_CONTINUOUS_SEGMENT:    69      36_A - 104_A       1.00     1.59
  LCS_AVERAGE:     55.29

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G    13_A     G    13_A      7  103  103     12   63   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     36   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     34   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     36   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     29   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103      3   18   62   89   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      3    4   11   17   24   30   62   81  100  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      4  103  103      3    4    4    6   17   83  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     14  103  103      3    5    7   19   31   61   92  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     16  103  103      8   52   78   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     16  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     16  103  103     35   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     25  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     25  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     25  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     25  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     25  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     25  103  103     20   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     25  103  103     35   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     25  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     25  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     69  103  103     35   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     69  103  103     39   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     69  103  103     16   63   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     69  103  103      3   59   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     69  103  103      3   29   52   87   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     69  103  103     17   53   79   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     69  103  103      9   48   79   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     69  103  103      9   48   79   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     69  103  103     15   59   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     69  103  103     24   60   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     69  103  103     36   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     69  103  103     36   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     69  103  103     30   63   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     69  103  103      4   30   67   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     69  103  103      4   30   58   93   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     69  103  103     35   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     69  103  103     36   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     69  103  103     35   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     69  103  103     26   60   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     69  103  103     24   59   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     69  103  103     17   54   79   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     69  103  103     24   54   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     69  103  103      9   43   75   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     69  103  103     17   53   79   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     69  103  103     19   54   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     69  103  103     12   54   79   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     69  103  103     21   54   79   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     69  103  103     17   54   79   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     69  103  103     17   53   78   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     69  103  103     17   54   79   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     69  103  103     24   59   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     69  103  103     24   59   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     69  103  103     17   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     69  103  103      5   53   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     69  103  103     35   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     69  103  103     36   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     69  103  103     39   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     69  103  103     42   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     69  103  103     26   63   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     69  103  103     39   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     69  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     69  103  103     39   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     69  103  103      3   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     57  103  103      3    3   10   13   73   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     57  103  103      3   54   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     57  103  103      3   61   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     57  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     57  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     57  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     57  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     57  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     57  103  103     43   65   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     57  103  103     26   62   80   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     57  103  103      4   38   78   94   99   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  85.10  (  55.29  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     43     65     80     94     99     99    100    101    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  41.75  63.11  77.67  91.26  96.12  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
GDT RMS_LOCAL    0.30   0.57   0.85   1.10   1.22   1.22   1.28   1.34   1.40   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49
GDT RMS_ALL_AT   1.91   1.85   1.61   1.51   1.50   1.50   1.50   1.50   1.50   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  Y    79_A      Y    79_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     1.705     0    0.047   0.047     1.705   81.548   81.548
LGA    W    14_A      W    14_A     1.369     0    0.038   0.118     1.914   75.000   81.565
LGA    Q    15_A      Q    15_A     1.684     0    0.084   0.825     5.081   75.000   56.772
LGA    K    16_A      K    16_A     1.592     0    0.033   0.297     2.238   72.857   73.862
LGA    K    17_A      K    17_A     1.643     0    0.071   0.618     1.914   75.000   78.624
LGA    T    18_A      T    18_A     2.751     0    0.215   1.086     5.274   46.310   45.238
LGA    P    19_A      P    19_A     5.472     0    0.631   0.616     7.394   30.238   22.041
LGA    V    20_A      V    20_A     4.089     0    0.146   1.187     7.921   39.167   33.333
LGA    D    21_A      D    21_A     4.090     0    0.028   0.936     5.319   43.929   42.321
LGA    N    22_A      N    22_A     1.804     0    0.147   0.216     2.593   75.119   70.000
LGA    E    23_A      E    23_A     1.195     0    0.009   0.795     5.448   81.429   59.947
LGA    Q    24_A      Q    24_A     1.676     0    0.034   0.132     2.596   77.143   70.317
LGA    Y    25_A      Y    25_A     0.872     0    0.014   0.159     2.115   88.214   80.913
LGA    K    26_A      K    26_A     1.026     0    0.041   0.893     2.997   83.690   75.132
LGA    E    27_A      E    27_A     1.387     0    0.012   1.305     4.625   81.429   66.984
LGA    L    28_A      L    28_A     1.056     0    0.041   0.106     1.159   81.429   83.690
LGA    A    29_A      A    29_A     1.034     0    0.029   0.041     1.339   83.690   85.048
LGA    H    30_A      H    30_A     1.591     0    0.021   0.158     1.762   75.000   78.048
LGA    F    31_A      F    31_A     1.571     0    0.018   0.156     1.636   72.857   76.753
LGA    A    32_A      A    32_A     1.379     0    0.018   0.019     1.651   77.143   78.000
LGA    V    33_A      V    33_A     1.525     0    0.122   0.785     3.301   72.976   70.884
LGA    S    34_A      S    34_A     1.877     0    0.145   0.703     3.274   70.833   67.698
LGA    K    35_A      K    35_A     0.862     0    0.081   0.398     2.072   88.214   84.603
LGA    Q    36_A      Q    36_A     1.599     0    0.498   0.593     3.292   69.286   65.079
LGA    V    37_A      V    37_A     0.916     0    0.506   0.971     5.611   79.881   63.061
LGA    E    38_A      E    38_A     2.851     0    0.640   1.524     7.762   51.548   37.302
LGA    G    39_A      G    39_A     1.760     0    0.036   0.036     1.768   72.857   72.857
LGA    R    40_A      R    40_A     1.804     0    0.054   0.770     8.016   72.857   44.805
LGA    E    41_A      E    41_A     1.844     0    0.020   0.906     4.349   77.143   67.354
LGA    F    42_A      F    42_A     0.907     0    0.038   0.130     1.987   85.952   82.381
LGA    F    43_A      F    43_A     0.575     0    0.025   0.152     0.947   95.238   94.805
LGA    D    44_A      D    44_A     0.598     0    0.029   0.168     0.900   92.857   91.667
LGA    T    45_A      T    45_A     0.640     0    0.073   0.152     0.962   92.857   91.837
LGA    V    46_A      V    46_A     0.923     0    0.029   0.084     1.685   90.476   85.374
LGA    L    47_A      L    47_A     0.586     0    0.034   1.101     2.917   90.476   83.095
LGA    E    48_A      E    48_A     0.632     0    0.072   0.127     0.632   92.857   95.767
LGA    V    49_A      V    49_A     0.505     0    0.018   0.078     0.919   95.238   93.197
LGA    T    50_A      T    50_A     0.237     0    0.023   0.055     0.405  100.000  100.000
LGA    D    51_A      D    51_A     0.605     0    0.039   0.861     4.124   97.619   78.155
LGA    V    52_A      V    52_A     0.513     0    0.046   0.058     0.890   90.476   90.476
LGA    E    53_A      E    53_A     0.539     0    0.036   0.851     3.630   97.619   82.698
LGA    T    54_A      T    54_A     0.445     0    0.065   0.070     0.759   92.857   93.197
LGA    Q    55_A      Q    55_A     0.878     0    0.053   0.826     2.136   85.952   80.635
LGA    V    56_A      V    56_A     1.390     0    0.625   0.656     3.962   69.762   74.762
LGA    V    57_A      V    57_A     2.109     0    0.371   1.223     5.267   53.452   56.259
LGA    A    58_A      A    58_A     2.581     0    0.475   0.458     3.814   59.524   57.619
LGA    G    59_A      G    59_A     1.121     0    0.211   0.211     1.590   83.929   83.929
LGA    T    60_A      T    60_A     0.489     0    0.019   0.083     0.691   95.238   93.197
LGA    N    61_A      N    61_A     0.432     0    0.020   0.335     1.615  100.000   93.036
LGA    Y    62_A      Y    62_A     0.443     0    0.019   0.047     1.238   95.238   90.556
LGA    R    63_A      R    63_A     0.430     0    0.021   0.776     2.168  100.000   85.238
LGA    I    64_A      I    64_A     0.531     0    0.039   0.045     0.743   90.476   91.667
LGA    T    65_A      T    65_A     0.480     0    0.033   0.075     0.617  100.000   98.639
LGA    F    66_A      F    66_A     0.522     0    0.059   0.086     1.252   92.857   88.052
LGA    K    67_A      K    67_A     0.547     0    0.022   0.676     1.478   95.238   89.577
LGA    I    68_A      I    68_A     0.563     0    0.041   0.095     0.919   90.476   92.857
LGA    A    69_A      A    69_A     0.994     0    0.069   0.102     1.373   90.476   88.667
LGA    E    70_A      E    70_A     0.362     0    0.022   0.297     2.280  100.000   88.889
LGA    S    71_A      S    71_A     0.269     0    0.058   0.505     1.840   97.619   93.889
LGA    T    72_A      T    72_A     0.563     0    0.019   0.122     0.940   92.857   91.837
LGA    C    73_A      C    73_A     0.967     0    0.040   0.091     1.068   90.476   87.460
LGA    R    74_A      R    74_A     1.302     0    0.022   1.261     7.332   81.429   59.784
LGA    V    75_A      V    75_A     1.068     0    0.063   0.075     1.531   81.429   82.789
LGA    T    76_A      T    76_A     2.283     0    0.084   0.209     2.997   64.881   62.653
LGA    E    77_A      E    77_A     1.881     0    0.454   0.488     3.911   63.452   73.492
LGA    T    78_A      T    78_A     1.161     0    0.325   1.096     3.528   77.262   72.381
LGA    Y    79_A      Y    79_A     1.521     0    0.046   0.197     1.824   72.857   83.889
LGA    S    80_A      S    80_A     1.550     0    0.063   0.087     1.969   79.286   77.143
LGA    K    81_A      K    81_A     1.491     0    0.071   0.652     2.642   77.143   74.021
LGA    E    82_A      E    82_A     2.127     0    0.070   0.763     2.869   70.833   64.921
LGA    T    83_A      T    83_A     1.792     0    0.079   1.046     3.392   72.857   68.435
LGA    C    84_A      C    84_A     0.942     0    0.057   0.076     1.160   88.214   87.460
LGA    L    85_A      L    85_A     0.932     0    0.023   0.083     1.641   90.476   84.881
LGA    P    86_A      P    86_A     0.863     0    0.694   0.666     3.101   78.095   83.401
LGA    K    87_A      K    87_A     1.245     0    0.139   0.579     2.256   81.429   75.820
LGA    T    88_A      T    88_A     0.211     0    0.124   0.937     3.011   88.452   82.245
LGA    R    89_A      R    89_A     0.280     6    0.113   0.120     0.639  100.000   44.589
LGA    D    90_A      D    90_A     0.294     0    0.052   0.126     1.397  100.000   91.845
LGA    V    91_A      V    91_A     0.403     0    0.101   0.128     0.858  100.000   95.918
LGA    K    92_A      K    92_A     0.661     0    0.040   0.494     1.374   90.476   89.524
LGA    S    93_A      S    93_A     0.623     0    0.096   0.150     0.703   90.476   92.063
LGA    T    94_A      T    94_A     0.719     0    0.019   0.053     1.034   90.476   89.184
LGA    C    95_A      C    95_A     0.472     0    0.043   0.066     0.648   92.857   95.238
LGA    T    96_A      T    96_A     0.736     0    0.035   0.082     0.769   90.476   90.476
LGA    A    97_A      A    97_A     0.885     0    0.018   0.029     0.910   90.476   90.476
LGA    V    98_A      V    98_A     0.938     0    0.016   0.023     1.124   85.952   85.306
LGA    I    99_A      I    99_A     1.010     0    0.042   0.472     1.463   85.952   84.821
LGA    T   100_A      T   100_A     0.389     0    0.041   0.062     0.562   95.238   95.918
LGA    E   101_A      E   101_A     0.485     0    0.069   0.209     0.799  100.000   94.709
LGA    P   102_A      P   102_A     0.468     0    0.026   0.039     0.710   95.238   93.197
LGA    L   103_A      L   103_A     1.056     0    0.134   1.383     4.462   85.952   73.036
LGA    N   104_A      N   104_A     1.524     0    0.202   1.277     6.488   65.595   45.774
LGA    N   105_A      N   105_A     4.361     0    0.666   0.552     9.607   46.905   25.595
LGA    E   106_A      E   106_A     1.130     0    0.148   0.574     5.832   71.190   54.339
LGA    R   107_A      R   107_A     1.165     0    0.113   1.425     3.137   81.429   71.732
LGA    F   108_A      F   108_A     1.043     0    0.062   1.274     5.123   88.214   70.433
LGA    V   109_A      V   109_A     1.100     0    0.026   0.037     1.150   81.429   81.429
LGA    H   110_A      H   110_A     1.106     0    0.020   0.059     1.317   81.429   84.143
LGA    S   111_A      S   111_A     1.197     0    0.041   0.562     2.448   81.429   78.651
LGA    F   112_A      F   112_A     1.023     0    0.057   0.224     1.304   83.690   82.251
LGA    T   113_A      T   113_A     0.854     0    0.129   0.967     2.554   90.476   83.197
LGA    C   114_A      C   114_A     0.559     0    0.063   0.070     1.365   88.333   89.048
LGA    G   115_A      G   115_A     2.137     0    0.671   0.671     2.784   69.048   69.048

# 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):     1.494          1.574                  2.094           82.143   77.461

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    101    1.34    88.107    94.000     7.006

LGA_LOCAL      RMSD:   1.342  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.497  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.494  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.173501 * X  +   0.077338 * Y  +   0.981792 * Z  + -38.670292
  Y_new =  -0.936189 * X  +  -0.322391 * Y  +  -0.140047 * Z  +  30.223640
  Z_new =   0.305690 * X  +  -0.943442 * Y  +   0.128338 * Z  +  24.968916 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.754044 -0.310663 -1.435595   [DEG: -100.4993  -17.7997  -82.2535 ]
ZXZ:  1.429108  1.442103  2.828251   [DEG:   81.8819   82.6264  162.0468 ]
 
# END of job
