
#######################################################
#                                                     #
#                        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       1.51     1.51
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.51     1.51
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      40_A - 108_A       1.00     1.60
  LCS_AVERAGE:     53.45

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     43   68   82   95   97  100  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     43   68   82   95   97  100  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     43   68   82   95   97  100  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     43   68   82   95   97  100  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     43   68   82   95   97  100  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      4   22   69   86   97  100  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   12   19   22   31   69   82  101  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   16   95  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   32   61   96  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     16  103  103      9   48   82   95   97  100  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   68   82   95   97  100  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     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     16  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     16  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     16  103  103     41   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     16  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     16  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     16  103  103     32   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     16  103  103     37   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     16  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     16  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     16  103  103     41   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     16  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     16  103  103     22   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     65  103  103      4   53   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     65  103  103      4   22   32   68   95  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     66  103  103      4   22   32   56   89  100  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     12   49   80   95   97  100  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     12   53   80   95   97  100  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     12   56   82   95   97  100  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     10   55   82   95   97  100  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     29   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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     43   68   82   95   97  100  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     43   68   82   95   97  100  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     38   68   82   95   97  100  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   12   60   91   97  100  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     18   67   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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     29   68   82   95   97  100  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     22   61   82   95   97  100  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     22   57   82   95   97  100  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     22   53   82   95   97  100  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     22   53   80   95   97  100  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     22   53   82   95   97  100  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     14   53   80   95   97  100  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     22   53   80   95   97  100  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     16   53   80   95   97  100  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     16   53   80   95   97  100  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      9   53   80   95   97  100  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      8   53   80   95   97  100  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      9   49   79   95   97  100  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      9   48   79   95   97  100  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     22   53   81   95   97  100  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     22   53   82   95   97  100  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     28   68   82   95   97  100  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     29   68   82   95   97  100  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      5   68   82   95   97  100  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     22   67   82   95   97  100  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     33   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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     43   68   82   95   97  100  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     43   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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   68   82   95   97  100  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     31   68   82   95   97  100  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     33   68   82   95   97  100  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     38   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     69  103  103      4    4   42   64   81  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     69  103  103      5   53   80   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     69  103  103      4   65   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     69  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     58  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     58  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     58  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     58  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     58  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     58  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     58  103  103     43   68   82   95   97  100  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  84.48  (  53.45  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     68     82     95     97    100    100    101    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  41.75  66.02  79.61  92.23  94.17  97.09  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   0.54   0.85   1.09   1.14   1.31   1.31   1.37   1.42   1.51   1.51   1.51   1.51   1.51   1.51   1.51   1.51   1.51   1.51   1.51
GDT RMS_ALL_AT   1.94   1.95   1.65   1.53   1.52   1.52   1.52   1.52   1.52   1.51   1.51   1.51   1.51   1.51   1.51   1.51   1.51   1.51   1.51   1.51

# 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:  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:  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     1.550     0    0.051   0.051     1.550   79.286   79.286
LGA    W    14_A      W    14_A     1.365     0    0.022   0.085     1.799   75.000   83.503
LGA    Q    15_A      Q    15_A     1.615     0    0.073   0.818     4.952   75.000   57.354
LGA    K    16_A      K    16_A     1.526     0    0.035   0.310     2.358   72.857   73.862
LGA    K    17_A      K    17_A     1.574     0    0.066   0.619     1.784   77.143   79.577
LGA    T    18_A      T    18_A     2.720     0    0.223   1.091     5.173   46.310   45.238
LGA    P    19_A      P    19_A     5.478     0    0.634   0.613     7.349   30.238   22.041
LGA    V    20_A      V    20_A     4.059     0    0.152   1.185     7.906   39.167   33.333
LGA    D    21_A      D    21_A     4.251     0    0.033   0.946     5.513   40.476   39.226
LGA    N    22_A      N    22_A     1.997     0    0.157   0.246     2.878   72.976   68.929
LGA    E    23_A      E    23_A     1.293     0    0.008   0.796     5.174   79.286   60.476
LGA    Q    24_A      Q    24_A     1.787     0    0.029   0.088     2.447   72.857   68.360
LGA    Y    25_A      Y    25_A     1.009     0    0.021   0.158     2.435   85.952   78.056
LGA    K    26_A      K    26_A     1.072     0    0.044   0.894     3.043   81.429   73.386
LGA    E    27_A      E    27_A     1.472     0    0.012   1.300     4.340   81.429   69.206
LGA    L    28_A      L    28_A     1.119     0    0.038   0.143     1.276   81.429   82.560
LGA    A    29_A      A    29_A     1.029     0    0.026   0.036     1.365   83.690   85.048
LGA    H    30_A      H    30_A     1.633     0    0.015   0.201     1.874   75.000   78.048
LGA    F    31_A      F    31_A     1.663     0    0.014   0.153     1.748   72.857   75.195
LGA    A    32_A      A    32_A     1.472     0    0.019   0.020     1.746   77.143   78.000
LGA    V    33_A      V    33_A     1.512     0    0.105   0.783     3.215   70.833   69.660
LGA    S    34_A      S    34_A     1.995     0    0.100   0.127     2.508   68.929   70.238
LGA    K    35_A      K    35_A     1.565     0    0.019   0.299     2.649   72.857   73.016
LGA    Q    36_A      Q    36_A     1.723     0    0.524   0.586     3.257   67.143   65.873
LGA    V    37_A      V    37_A     1.021     0    0.525   1.015     5.818   73.690   59.456
LGA    E    38_A      E    38_A     3.589     0    0.041   1.002     8.106   52.024   30.952
LGA    G    39_A      G    39_A     4.040     0    0.034   0.034     4.040   46.905   46.905
LGA    R    40_A      R    40_A     1.286     0    0.633   0.932     3.624   65.595   69.697
LGA    E    41_A      E    41_A     1.206     0    0.136   0.296     1.441   85.952   83.439
LGA    F    42_A      F    42_A     0.808     0    0.041   0.177     1.465   90.476   87.186
LGA    F    43_A      F    43_A     0.877     0    0.051   1.119     5.680   92.857   65.455
LGA    D    44_A      D    44_A     0.568     0    0.063   0.136     0.900   90.476   90.476
LGA    T    45_A      T    45_A     0.586     0    0.059   0.128     0.755   92.857   91.837
LGA    V    46_A      V    46_A     0.907     0    0.029   0.090     1.638   90.476   85.374
LGA    L    47_A      L    47_A     0.650     0    0.040   1.093     2.970   90.476   83.095
LGA    E    48_A      E    48_A     0.624     0    0.067   0.093     0.624   92.857   94.709
LGA    V    49_A      V    49_A     0.558     0    0.020   0.082     0.951   90.476   90.476
LGA    T    50_A      T    50_A     0.474     0    0.022   0.058     0.680   95.238   97.279
LGA    D    51_A      D    51_A     0.776     0    0.039   0.863     4.168   92.857   73.810
LGA    V    52_A      V    52_A     0.575     0    0.046   0.052     0.986   90.476   90.476
LGA    E    53_A      E    53_A     0.507     0    0.035   0.756     3.244   97.619   82.593
LGA    T    54_A      T    54_A     0.444     0    0.060   0.067     0.836   92.857   94.558
LGA    Q    55_A      Q    55_A     0.768     0    0.049   0.774     1.899   90.595   84.603
LGA    V    56_A      V    56_A     0.851     0    0.053   0.092     1.469   85.952   87.891
LGA    V    57_A      V    57_A     0.974     0    0.142   1.231     2.837   81.667   75.918
LGA    A    58_A      A    58_A     2.414     0    0.028   0.028     2.984   66.786   64.857
LGA    G    59_A      G    59_A     0.797     0    0.070   0.070     1.345   92.976   92.976
LGA    T    60_A      T    60_A     0.353     0    0.072   0.125     0.635  100.000   98.639
LGA    N    61_A      N    61_A     0.483     0    0.022   0.336     1.619  100.000   93.036
LGA    Y    62_A      Y    62_A     0.488     0    0.025   0.054     1.069   92.857   90.516
LGA    R    63_A      R    63_A     0.406     0    0.017   0.734     1.953  100.000   87.489
LGA    I    64_A      I    64_A     0.448     0    0.041   0.049     0.633   97.619   95.238
LGA    T    65_A      T    65_A     0.371     0    0.034   0.070     0.506  100.000   98.639
LGA    F    66_A      F    66_A     0.367     0    0.062   0.092     1.307   97.619   89.784
LGA    K    67_A      K    67_A     0.329     0    0.027   0.175     0.589  100.000   97.884
LGA    I    68_A      I    68_A     0.551     0    0.032   0.091     0.868   90.476   91.667
LGA    A    69_A      A    69_A     1.012     0    0.059   0.079     1.418   90.595   88.762
LGA    E    70_A      E    70_A     0.245     0    0.023   0.165     0.900  100.000   95.767
LGA    S    71_A      S    71_A     0.498     0    0.051   0.499     2.294   95.238   90.952
LGA    T    72_A      T    72_A     0.695     0    0.026   0.146     0.908   90.476   90.476
LGA    C    73_A      C    73_A     0.985     0    0.043   0.112     1.144   90.476   87.460
LGA    R    74_A      R    74_A     1.098     0    0.009   0.144     1.398   85.952   83.074
LGA    V    75_A      V    75_A     0.745     0    0.047   0.074     1.339   90.476   89.184
LGA    T    76_A      T    76_A     1.469     0    0.008   0.214     2.133   77.143   74.150
LGA    E    77_A      E    77_A     1.455     0    0.043   0.158     1.845   77.143   80.529
LGA    T    78_A      T    78_A     1.696     0    0.017   0.054     2.048   75.000   72.925
LGA    Y    79_A      Y    79_A     1.502     0    0.043   1.313     8.558   72.857   53.254
LGA    S    80_A      S    80_A     1.725     0    0.033   0.049     2.144   75.000   71.587
LGA    K    81_A      K    81_A     1.628     0    0.074   0.637     3.035   72.857   68.571
LGA    E    82_A      E    82_A     2.042     0    0.071   0.766     3.170   70.833   64.974
LGA    T    83_A      T    83_A     1.971     0    0.098   1.062     3.437   70.833   67.279
LGA    C    84_A      C    84_A     1.149     0    0.076   0.099     1.364   85.952   85.952
LGA    L    85_A      L    85_A     1.182     0    0.027   0.078     2.220   85.952   78.452
LGA    P    86_A      P    86_A     0.488     0    0.010   0.096     1.090   97.619   91.973
LGA    K    87_A      K    87_A     0.323     0    0.044   0.872     2.947   97.619   82.328
LGA    T    88_A      T    88_A     1.036     0    0.713   0.682     3.393   75.833   78.231
LGA    R    89_A      R    89_A     1.412     6    0.111   0.107     1.662   79.286   35.455
LGA    D    90_A      D    90_A     0.620     0    0.056   0.152     1.554   95.238   88.393
LGA    V    91_A      V    91_A     0.432     0    0.094   0.107     0.892   97.619   94.558
LGA    K    92_A      K    92_A     0.428     0    0.038   0.493     1.316  100.000   93.757
LGA    S    93_A      S    93_A     0.308     0    0.077   0.127     0.400  100.000  100.000
LGA    T    94_A      T    94_A     0.425     0    0.020   0.066     0.596  100.000   98.639
LGA    C    95_A      C    95_A     0.484     0    0.030   0.040     0.712  100.000   96.825
LGA    T    96_A      T    96_A     0.631     0    0.034   0.075     0.665   90.476   90.476
LGA    A    97_A      A    97_A     0.872     0    0.019   0.031     0.915   90.476   90.476
LGA    V    98_A      V    98_A     0.971     0    0.018   0.023     1.201   85.952   85.306
LGA    I    99_A      I    99_A     1.049     0    0.040   0.474     1.529   85.952   83.750
LGA    T   100_A      T   100_A     0.397     0    0.037   0.059     0.592   95.238   97.279
LGA    E   101_A      E   101_A     0.455     0    0.062   0.225     0.742  100.000   94.709
LGA    P   102_A      P   102_A     1.027     0    0.051   0.350     1.638   83.690   85.442
LGA    L   103_A      L   103_A     1.863     0    0.613   1.469     5.041   62.619   58.929
LGA    N   104_A      N   104_A     0.727     0    0.186   0.906     3.752   80.119   66.964
LGA    N   105_A      N   105_A     3.599     0    0.251   0.345     9.101   65.595   36.726
LGA    E   106_A      E   106_A     1.192     0    0.205   0.599     5.500   69.405   56.508
LGA    R   107_A      R   107_A     1.162     0    0.097   1.425     3.136   81.429   71.732
LGA    F   108_A      F   108_A     1.209     0    0.055   1.299     5.085   85.952   69.307
LGA    V   109_A      V   109_A     1.259     0    0.026   0.039     1.341   81.429   81.429
LGA    H   110_A      H   110_A     1.272     0    0.021   0.069     1.492   81.429   81.429
LGA    S   111_A      S   111_A     1.309     0    0.045   0.560     2.488   81.429   78.651
LGA    F   112_A      F   112_A     1.158     0    0.046   0.138     1.280   81.429   81.429
LGA    T   113_A      T   113_A     1.158     0    0.115   0.962     2.414   81.429   76.667
LGA    C   114_A      C   114_A     0.636     0    0.042   0.089     0.784   90.476   90.476
LGA    G   115_A      G   115_A     0.589     0    0.570   0.570     3.132   76.310   76.310

# 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):     1.514          1.549                  2.033           82.532   77.999

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    101    1.37    89.078    94.375     6.882

LGA_LOCAL      RMSD:   1.368  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.517  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.514  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.130737 * X  +  -0.349932 * Y  +  -0.927607 * Z  + -42.689884
  Y_new =   0.361858 * X  +  -0.854247 * Y  +   0.373258 * Z  +  29.919504
  Z_new =  -0.923020 * X  +  -0.384461 * Y  +   0.014944 * Z  +  28.386099 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.224095  1.175858 -1.531946   [DEG:   70.1355   67.3717  -87.7740 ]
ZXZ: -1.953360  1.555852 -1.965467   [DEG: -111.9193   89.1437 -112.6129 ]
 
# END of job
