
#######################################################
#                                                     #
#                        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  107 (  846),  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       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.37     1.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83      22_A - 104_A       0.94     1.39
  LCS_AVERAGE:     66.50

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G    13_A     G    13_A      7  103  103     15   67   88   95   98   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     18   76   88   95   98   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     18   76   88   95   98   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     40   76   88   95   98   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   76   88   95   98   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    5   21   34   98   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   15   27   64   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      5  103  103      3    5    5    7   11   32   70  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A      5  103  103      3    4   16   23   27   63   75   95  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     83  103  103      3   26   54   94   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     83  103  103     14   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     83  103  103     44   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     83  103  103     44   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     83  103  103     17   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     83  103  103     35   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     83  103  103     40   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     83  103  103     34   75   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     83  103  103     17   57   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     83  103  103     26   71   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     83  103  103     34   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     83  103  103     35   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     83  103  103     39   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     83  103  103     34   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     83  103  103     40   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     83  103  103     28   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     83  103  103      7   61   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     83  103  103     40   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     83  103  103     40   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     83  103  103     44   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     83  103  103     34   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     83  103  103     44   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     83  103  103     38   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     83  103  103     35   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     83  103  103     26   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     83  103  103      9   37   86   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     83  103  103      3   49   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     83  103  103      9   44   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     83  103  103     26   73   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     83  103  103     34   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     83  103  103     35   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     83  103  103     32   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     83  103  103     20   74   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     83  103  103     25   74   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     83  103  103     35   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     83  103  103     26   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     83  103  103      3   46   87   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     83  103  103      3   67   87   95   96   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     83  103  103      3    3   23   80   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     83  103  103      3   10   25   81   96   98  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     83  103  103     36   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     83  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     83  103  103     38   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     83  103  103     35   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     83  103  103      7   59   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A      7  103  103      3    4   13   23   82   95   99  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     10  103  103      6   58   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     10  103  103      7   75   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     10  103  103     37   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     10  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     10  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     10  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     10  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     10  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     10  103  103     45   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     10  103  103     44   76   88   95   98   99  100  101  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  88.83  (  66.50  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     45     76     88     95     98     99    100    101    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  43.69  73.79  85.44  92.23  95.15  96.12  97.09  98.06  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.60   0.74   0.86   1.01   1.02   1.07   1.15   1.25   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37
GDT RMS_ALL_AT   1.51   1.40   1.38   1.38   1.38   1.38   1.38   1.38   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    77_A      E    77_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     1.659     0    0.072   0.072     1.659   81.548   81.548
LGA    W    14_A      W    14_A     1.276     0    0.024   0.055     1.764   77.143   80.272
LGA    Q    15_A      Q    15_A     1.344     0    0.046   0.752     4.412   83.690   65.556
LGA    K    16_A      K    16_A     0.984     0    0.027   0.396     1.186   83.690   86.455
LGA    K    17_A      K    17_A     0.970     0    0.100   0.607     1.355   88.214   87.460
LGA    T    18_A      T    18_A     3.004     0    0.190   0.248     5.389   42.619   51.293
LGA    P    19_A      P    19_A     3.128     0    0.669   0.760     4.607   52.024   47.687
LGA    V    20_A      V    20_A     5.129     0    0.143   1.187     9.798   29.881   20.476
LGA    D    21_A      D    21_A     6.075     0    0.036   1.077    10.534   26.786   14.107
LGA    N    22_A      N    22_A     2.266     0    0.637   0.836     7.253   68.929   45.952
LGA    E    23_A      E    23_A     1.131     0    0.026   0.776     4.529   79.524   66.931
LGA    Q    24_A      Q    24_A     0.791     0    0.036   1.245     5.680   90.476   68.148
LGA    Y    25_A      Y    25_A     0.681     0    0.024   1.289     8.729   90.476   56.746
LGA    K    26_A      K    26_A     0.469     0    0.015   0.856     3.273   97.619   80.847
LGA    E    27_A      E    27_A     0.415     0    0.030   0.121     0.939  100.000   97.884
LGA    L    28_A      L    28_A     0.446     0    0.014   0.156     0.765  100.000   96.429
LGA    A    29_A      A    29_A     0.294     0    0.031   0.038     0.428  100.000  100.000
LGA    H    30_A      H    30_A     0.324     0    0.020   0.115     0.653  100.000   97.143
LGA    F    31_A      F    31_A     0.325     0    0.020   0.190     0.578  100.000   96.537
LGA    A    32_A      A    32_A     0.311     0    0.029   0.028     0.549   97.619   96.190
LGA    V    33_A      V    33_A     0.438     0    0.089   0.817     2.402   95.238   87.211
LGA    S    34_A      S    34_A     0.872     0    0.030   0.070     1.097   90.476   87.460
LGA    K    35_A      K    35_A     0.533     0    0.039   1.196     6.498   95.238   71.429
LGA    Q    36_A      Q    36_A     0.300     0    0.034   0.249     1.232  100.000   93.704
LGA    V    37_A      V    37_A     0.898     0    0.042   0.069     1.587   83.810   84.082
LGA    E    38_A      E    38_A     1.644     0    0.028   0.977     4.708   79.286   63.492
LGA    G    39_A      G    39_A     1.253     0    0.108   0.108     1.387   85.952   85.952
LGA    R    40_A      R    40_A     0.608     0    0.026   1.509     6.782   90.476   64.113
LGA    E    41_A      E    41_A     0.399     0    0.042   0.834     2.241  100.000   85.979
LGA    F    42_A      F    42_A     0.161     0    0.036   0.054     0.600   97.619   99.134
LGA    F    43_A      F    43_A     0.532     0    0.036   0.079     0.821   97.619   93.074
LGA    D    44_A      D    44_A     0.610     0    0.037   0.225     1.261   90.476   89.345
LGA    T    45_A      T    45_A     0.536     0    0.024   0.076     0.558   90.476   93.197
LGA    V    46_A      V    46_A     0.447     0    0.031   0.093     0.554   95.238   95.918
LGA    L    47_A      L    47_A     0.486     0    0.030   0.066     0.746   95.238   92.857
LGA    E    48_A      E    48_A     0.612     0    0.059   0.702     1.844   90.476   87.513
LGA    V    49_A      V    49_A     0.471     0    0.086   0.103     0.725   95.238   95.918
LGA    T    50_A      T    50_A     0.304     0    0.052   1.135     2.593   97.619   88.639
LGA    D    51_A      D    51_A     0.501     0    0.018   1.033     4.617   97.619   79.286
LGA    V    52_A      V    52_A     0.401     0    0.048   1.127     2.758   97.619   87.483
LGA    E    53_A      E    53_A     0.303     0    0.054   0.715     2.822  100.000   87.249
LGA    T    54_A      T    54_A     0.271     0    0.022   0.052     0.382  100.000  100.000
LGA    Q    55_A      Q    55_A     0.207     0    0.016   0.549     1.590  100.000   94.921
LGA    V    56_A      V    56_A     0.776     0    0.044   0.085     1.352   90.476   86.599
LGA    V    57_A      V    57_A     0.436     0    0.325   1.109     3.762   76.667   76.871
LGA    A    58_A      A    58_A     1.452     0    0.089   0.089     2.290   81.548   78.190
LGA    G    59_A      G    59_A     0.495     0    0.036   0.036     0.732   92.857   92.857
LGA    T    60_A      T    60_A     1.050     0    0.035   0.104     1.165   81.429   82.721
LGA    N    61_A      N    61_A     0.941     0    0.059   0.289     2.323   90.595   82.857
LGA    Y    62_A      Y    62_A     0.305     0    0.032   0.128     0.797  100.000   95.238
LGA    R    63_A      R    63_A     0.296     0    0.084   1.126     3.815  100.000   87.186
LGA    I    64_A      I    64_A     0.274     0    0.045   0.498     1.932   97.619   91.845
LGA    T    65_A      T    65_A     0.593     0    0.081   0.088     0.898   97.619   94.558
LGA    F    66_A      F    66_A     0.586     0    0.016   0.230     2.220   92.857   81.818
LGA    K    67_A      K    67_A     0.515     0    0.040   0.181     0.642   97.619   95.767
LGA    I    68_A      I    68_A     0.786     0    0.028   0.064     1.192   90.476   89.345
LGA    A    69_A      A    69_A     0.903     0    0.038   0.042     1.044   90.595   88.762
LGA    E    70_A      E    70_A     0.652     0    0.013   0.143     1.209   92.857   91.587
LGA    S    71_A      S    71_A     0.113     0    0.034   0.140     0.258  100.000  100.000
LGA    T    72_A      T    72_A     0.468     0    0.033   0.104     0.682  100.000   95.918
LGA    C    73_A      C    73_A     0.485     0    0.068   0.083     0.919  100.000   96.825
LGA    R    74_A      R    74_A     0.937     0    0.111   1.105     2.991   83.810   78.571
LGA    V    75_A      V    75_A     1.781     0    0.621   0.979     4.201   64.048   63.605
LGA    T    76_A      T    76_A     1.672     0    0.291   0.977     4.158   72.857   67.755
LGA    E    77_A      E    77_A     1.774     0    0.032   0.916     5.126   72.857   62.593
LGA    T    78_A      T    78_A     1.124     0    0.068   0.101     1.560   83.810   86.735
LGA    Y    79_A      Y    79_A     0.704     0    0.039   0.055     0.878   90.476   95.238
LGA    S    80_A      S    80_A     0.377     0    0.018   0.594     2.007   97.619   90.952
LGA    K    81_A      K    81_A     0.730     0    0.033   0.649     3.154   88.333   81.058
LGA    E    82_A      E    82_A     1.445     0    0.094   0.858     2.421   79.286   76.720
LGA    T    83_A      T    83_A     1.090     0    0.110   1.042     2.805   81.548   75.646
LGA    C    84_A      C    84_A     0.555     0    0.084   0.113     0.788   95.238   95.238
LGA    L    85_A      L    85_A     0.873     0    0.018   0.121     2.236   92.857   81.905
LGA    P    86_A      P    86_A     0.655     0    0.030   0.241     1.068   90.476   89.184
LGA    K    87_A      K    87_A     0.476     0    0.040   0.101     1.019   97.619   92.646
LGA    T    88_A      T    88_A     0.601     0    0.268   1.219     2.703   84.167   79.796
LGA    R    89_A      R    89_A     1.761     6    0.088   0.090     2.820   79.286   34.026
LGA    D    90_A      D    90_A     1.867     0    0.671   0.613     5.796   67.619   50.595
LGA    V    91_A      V    91_A     2.884     0    0.128   0.135     7.458   65.357   43.741
LGA    K    92_A      K    92_A     3.152     0    0.573   1.039    14.862   61.190   30.370
LGA    S    93_A      S    93_A     0.721     0    0.156   0.592     2.230   90.595   84.762
LGA    T    94_A      T    94_A     0.375     0    0.039   0.072     0.811  100.000   95.918
LGA    C    95_A      C    95_A     0.607     0    0.019   0.046     0.809   92.857   92.063
LGA    T    96_A      T    96_A     0.757     0    0.031   0.036     0.932   90.476   90.476
LGA    A    97_A      A    97_A     0.439     0    0.053   0.054     0.589   97.619   96.190
LGA    V    98_A      V    98_A     0.561     0    0.016   0.022     0.814   92.857   91.837
LGA    I    99_A      I    99_A     0.762     0    0.037   0.521     1.663   90.476   88.274
LGA    T   100_A      T   100_A     1.069     0    0.020   0.043     1.123   81.429   81.429
LGA    E   101_A      E   101_A     1.177     0    0.155   0.800     3.057   83.690   76.138
LGA    P   102_A      P   102_A     0.364     0    0.054   0.067     0.903   97.619   95.918
LGA    L   103_A      L   103_A     0.493     0    0.218   1.386     3.491   95.238   81.607
LGA    N   104_A      N   104_A     1.366     0    0.154   0.971     3.909   65.833   59.762
LGA    N   105_A      N   105_A     4.294     0    0.711   0.557     9.055   48.571   27.560
LGA    E   106_A      E   106_A     1.502     0    0.030   0.608     7.585   71.071   45.767
LGA    R   107_A      R   107_A     1.216     0    0.095   1.169     3.019   81.429   78.658
LGA    F   108_A      F   108_A     1.372     0    0.029   1.297     5.382   81.429   64.892
LGA    V   109_A      V   109_A     1.078     0    0.042   0.044     1.396   81.429   85.306
LGA    H   110_A      H   110_A     1.079     0    0.033   0.092     1.211   81.429   81.429
LGA    S   111_A      S   111_A     0.914     0    0.021   0.579     2.851   90.476   84.921
LGA    F   112_A      F   112_A     0.467     0    0.070   0.161     0.712   95.238   98.268
LGA    T   113_A      T   113_A     0.726     0    0.177   0.975     2.418   88.214   82.993
LGA    C   114_A      C   114_A     0.319     0    0.165   0.188     0.520   97.619   98.413
LGA    G   115_A      G   115_A     0.945     0    0.199   0.199     1.076   88.214   88.214

# 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):     1.371          1.364                  2.259           87.004   80.599

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  103    4.0    101    1.15    91.019    95.427     8.103

LGA_LOCAL      RMSD:   1.147  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.379  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.371  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.533184 * X  +   0.137813 * Y  +  -0.834699 * Z  + -76.796997
  Y_new =  -0.642058 * X  +  -0.708387 * Y  +   0.293172 * Z  +  39.234093
  Z_new =  -0.550887 * X  +   0.692240 * Y  +   0.466184 * Z  +  -9.017550 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.263819  0.583426  0.978117   [DEG: -129.7072   33.4279   56.0420 ]
ZXZ: -1.908567  1.085823 -0.672177   [DEG: -109.3528   62.2131  -38.5129 ]
 
# END of job
