
#######################################################
#                                                     #
#                        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  110 (  866),  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       1.92     1.92
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.92     1.92
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      40_A - 73_A        0.99     2.03
  LCS_AVERAGE:     20.45

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     21   59   73   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     26   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     26   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     26   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     26   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103      3   34   62   82   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      4    4   10   22   31   60   78   97  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      4  103  103      4    4    4    5    9   87   91   96  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A      6  103  103      4    5    6   13   20   31   62   90   93   97  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     14  103  103      5   18   42   67   86   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     14  103  103      5   37   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     14  103  103     16   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     14  103  103     20   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     14  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     14  103  103     31   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     14  103  103     29   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     14  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     14  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     14  103  103     29   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     14  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     14  103  103     28   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     14  103  103      3   34   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     14  103  103      3    4   14   35   55   85   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A      4  103  103      3    7    9   22   37   76   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A      5  103  103     14   34   61   72   82   89   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     19  103  103      4    7   25   58   82   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     19  103  103      4   32   71   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     34  103  103     32   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     34  103  103     23   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     34  103  103     27   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     34  103  103     31   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     34  103  103     29   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     34  103  103     30   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     34  103  103     30   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     34  103  103     30   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     34  103  103     26   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     34  103  103      3    7   37   74   87   90   94   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     34  103  103      4   10   22   29   65   89   93   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     34  103  103     26   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     34  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     34  103  103     16   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     34  103  103     16   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     34  103  103     31   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     34  103  103     26   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     34  103  103     16   60   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     34  103  103     18   58   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     29  103  103     16   58   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     29  103  103     16   56   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     29  103  103     15   55   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     29  103  103     15   55   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     29  103  103     15   55   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     29  103  103     16   58   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     29  103  103     11   55   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     29  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     29  103  103      4   17   61   82   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     29  103  103     11   26   67   82   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     29  103  103     12   55   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     29  103  103      4   32   69   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     29  103  103     25   60   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     29  103  103      7   26   51   77   86   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     12  103  103      6   26   51   77   86   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A      6  103  103      5    5    7    7   23   84   94   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A      6  103  103      5    5   43   62   80   89   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A      6  103  103      5    7   18   47   68   88   94   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     13  103  103     13   49   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     13  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     13  103  103     32   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     13  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     13  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     13  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     13  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     13  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     13  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     13  103  103     32   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     13  103  103     31   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     13  103  103     29   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     13  103  103      3   13   76   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A      7  103  103      3    5    7    8   14   79   93   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     10  103  103      3   41   73   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     10  103  103      5   60   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     10  103  103     25   58   72   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     10  103  103     26   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     10  103  103     26   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     10  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     10  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     10  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     10  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     10  103  103     33   61   77   84   87   90   95   98  101  102  102  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  73.48  (  20.45  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     33     61     77     84     87     90     95     98    101    102    102    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  32.04  59.22  74.76  81.55  84.47  87.38  92.23  95.15  98.06  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.37   0.61   0.86   0.97   1.07   1.19   1.45   1.60   1.77   1.82   1.82   1.92   1.92   1.92   1.92   1.92   1.92   1.92   1.92   1.92
GDT RMS_ALL_AT   2.04   2.00   1.94   1.93   1.93   1.95   1.94   1.93   1.93   1.93   1.93   1.92   1.92   1.92   1.92   1.92   1.92   1.92   1.92   1.92

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    62_A      Y    62_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:  E    82_A      E    82_A
#   possible swapping detected:  D    90_A      D    90_A
#   possible swapping detected:  E   101_A      E   101_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.890     0    0.674   0.674     2.368   72.976   72.976
LGA    W    14_A      W    14_A     1.292     0    0.091   1.156     7.606   77.143   57.109
LGA    Q    15_A      Q    15_A     1.268     0    0.083   1.010     5.275   83.690   61.746
LGA    K    16_A      K    16_A     1.360     0    0.028   0.706     3.831   79.286   68.042
LGA    K    17_A      K    17_A     1.277     0    0.110   0.889     2.108   81.429   79.630
LGA    T    18_A      T    18_A     2.397     0    0.022   0.131     5.063   51.071   47.211
LGA    P    19_A      P    19_A     4.770     0    0.658   0.772     6.928   37.262   28.707
LGA    V    20_A      V    20_A     4.729     0    0.134   1.163     8.953   31.548   22.789
LGA    D    21_A      D    21_A     6.522     0    0.289   1.102     8.178   19.048   12.857
LGA    N    22_A      N    22_A     3.622     0    0.073   0.240     4.569   50.595   46.310
LGA    E    23_A      E    23_A     1.875     0    0.039   0.775     2.590   75.476   73.122
LGA    Q    24_A      Q    24_A     1.535     0    0.054   0.789     4.130   77.143   62.328
LGA    Y    25_A      Y    25_A     1.203     0    0.078   0.397     2.193   81.429   77.222
LGA    K    26_A      K    26_A     0.845     0    0.037   0.981     3.858   88.214   75.820
LGA    E    27_A      E    27_A     0.662     0    0.018   1.113     3.709   90.476   78.677
LGA    L    28_A      L    28_A     0.773     0    0.039   0.186     1.247   90.476   88.214
LGA    A    29_A      A    29_A     0.599     0    0.031   0.042     0.686   95.238   94.286
LGA    H    30_A      H    30_A     0.261     0    0.036   0.081     0.596  100.000   98.095
LGA    F    31_A      F    31_A     0.372     0    0.015   0.137     0.803  100.000   96.537
LGA    A    32_A      A    32_A     0.391     0    0.020   0.029     0.617  100.000   98.095
LGA    V    33_A      V    33_A     0.536     0    0.070   0.218     1.350   90.595   93.265
LGA    S    34_A      S    34_A     1.518     0    0.649   0.764     3.789   71.548   67.063
LGA    K    35_A      K    35_A     3.785     0    0.598   1.516     7.942   51.905   28.730
LGA    Q    36_A      Q    36_A     4.122     0    0.550   1.143     6.259   35.357   42.063
LGA    V    37_A      V    37_A     3.360     0    0.653   0.548     6.679   65.238   48.163
LGA    E    38_A      E    38_A     3.283     0    0.139   1.250     5.151   53.571   43.968
LGA    G    39_A      G    39_A     1.875     0    0.083   0.083     2.377   75.119   75.119
LGA    R    40_A      R    40_A     0.632     0    0.043   0.763     4.182   90.476   76.364
LGA    E    41_A      E    41_A     0.356     0    0.067   0.674     1.844  100.000   89.735
LGA    F    42_A      F    42_A     0.520     0    0.103   0.132     0.870   92.857   96.537
LGA    F    43_A      F    43_A     0.703     0    0.033   0.104     1.569   90.476   83.983
LGA    D    44_A      D    44_A     0.619     0    0.048   0.193     1.346   92.857   88.274
LGA    T    45_A      T    45_A     0.491     0    0.030   0.128     0.673   92.857   94.558
LGA    V    46_A      V    46_A     0.533     0    0.022   0.039     0.621   90.476   90.476
LGA    L    47_A      L    47_A     0.486     0    0.042   0.963     2.698   95.238   87.857
LGA    E    48_A      E    48_A     0.823     0    0.071   0.520     1.334   92.857   87.513
LGA    V    49_A      V    49_A     0.668     0    0.048   0.116     0.743   90.476   90.476
LGA    T    50_A      T    50_A     0.717     0    0.049   1.165     3.208   90.476   83.401
LGA    D    51_A      D    51_A     0.619     0    0.028   0.260     1.354   90.476   89.345
LGA    V    52_A      V    52_A     0.796     0    0.023   0.059     0.808   90.476   90.476
LGA    E    53_A      E    53_A     0.542     0    0.044   0.682     2.097   95.238   86.772
LGA    T    54_A      T    54_A     0.550     0    0.040   0.996     2.543   90.476   83.197
LGA    Q    55_A      Q    55_A     0.622     0    0.029   0.793     2.846   92.857   81.058
LGA    V    56_A      V    56_A     1.041     0    0.047   1.064     3.922   75.476   72.653
LGA    V    57_A      V    57_A     3.286     0    0.466   1.149     6.852   39.881   40.136
LGA    A    58_A      A    58_A     4.722     0    0.484   0.464     5.873   33.333   30.952
LGA    G    59_A      G    59_A     0.718     0    0.099   0.099     1.609   86.071   86.071
LGA    T    60_A      T    60_A     0.854     0    0.040   0.091     1.193   88.214   87.891
LGA    N    61_A      N    61_A     0.834     0    0.053   0.461     2.708   90.476   84.048
LGA    Y    62_A      Y    62_A     0.188     0    0.067   0.155     0.422  100.000  100.000
LGA    R    63_A      R    63_A     0.256     0    0.026   0.839     2.171  100.000   88.355
LGA    I    64_A      I    64_A     0.255     0    0.028   0.637     1.859   97.619   93.036
LGA    T    65_A      T    65_A     0.296     0    0.043   0.097     0.563  100.000   98.639
LGA    F    66_A      F    66_A     0.627     0    0.028   0.164     2.057   95.238   84.199
LGA    K    67_A      K    67_A     0.387     0    0.063   1.127     5.908  100.000   76.508
LGA    I    68_A      I    68_A     0.882     0    0.033   1.139     2.370   85.952   78.452
LGA    A    69_A      A    69_A     1.075     0    0.033   0.046     1.145   88.214   86.857
LGA    E    70_A      E    70_A     0.814     0    0.041   0.101     1.532   90.476   85.503
LGA    S    71_A      S    71_A     0.332     0    0.062   0.123     0.561   97.619   96.825
LGA    T    72_A      T    72_A     0.863     0    0.053   1.010     3.348   90.476   79.728
LGA    C    73_A      C    73_A     0.883     0    0.015   0.094     1.618   90.476   86.032
LGA    R    74_A      R    74_A     1.088     0    0.033   1.281     6.995   83.690   58.442
LGA    V    75_A      V    75_A     1.262     0    0.131   1.209     3.907   77.143   69.932
LGA    T    76_A      T    76_A     1.380     0    0.209   0.257     2.422   81.429   75.442
LGA    E    77_A      E    77_A     1.456     0    0.045   0.955     4.751   81.429   68.571
LGA    T    78_A      T    78_A     1.372     0    0.063   1.132     3.709   79.286   71.293
LGA    Y    79_A      Y    79_A     1.063     0    0.027   0.209     1.253   81.429   90.635
LGA    S    80_A      S    80_A     1.205     0    0.071   0.671     2.598   85.952   78.968
LGA    K    81_A      K    81_A     0.921     0    0.026   0.972     5.429   82.024   61.481
LGA    E    82_A      E    82_A     2.649     0    0.107   1.079     3.746   57.619   68.519
LGA    T    83_A      T    83_A     2.787     0    0.020   0.082     3.530   59.048   55.238
LGA    C    84_A      C    84_A     1.427     0    0.329   0.359     1.802   79.286   78.571
LGA    L    85_A      L    85_A     1.981     0    0.055   1.078     4.346   72.976   62.738
LGA    P    86_A      P    86_A     0.694     0    0.075   0.257     2.528   75.476   72.041
LGA    K    87_A      K    87_A     3.135     0    0.650   0.864     5.668   50.476   39.524
LGA    T    88_A      T    88_A     3.192     0    0.625   0.949     6.103   52.024   39.728
LGA    R    89_A      R    89_A     4.421     6    0.166   0.163     6.374   40.119   16.147
LGA    D    90_A      D    90_A     3.673     0    0.050   1.093     7.882   57.619   40.298
LGA    V    91_A      V    91_A     4.067     0    0.151   0.167     8.624   45.595   31.361
LGA    K    92_A      K    92_A     1.872     0    0.566   1.197    12.554   75.000   40.159
LGA    S    93_A      S    93_A     0.384     0    0.070   0.166     0.828   95.238   95.238
LGA    T    94_A      T    94_A     0.458     0    0.022   1.038     2.924  100.000   88.639
LGA    C    95_A      C    95_A     0.406     0    0.025   0.061     0.452  100.000  100.000
LGA    T    96_A      T    96_A     0.506     0    0.062   0.081     0.609   95.238   94.558
LGA    A    97_A      A    97_A     0.736     0    0.036   0.057     0.777   90.476   90.476
LGA    V    98_A      V    98_A     0.748     0    0.038   0.083     1.000   90.476   90.476
LGA    I    99_A      I    99_A     0.895     0    0.022   0.491     1.571   92.857   87.202
LGA    T   100_A      T   100_A     0.983     0    0.048   0.970     2.111   85.952   80.408
LGA    E   101_A      E   101_A     1.139     0    0.159   0.764     2.950   83.690   73.333
LGA    P   102_A      P   102_A     0.556     0    0.101   0.152     1.112   92.857   89.252
LGA    L   103_A      L   103_A     0.331     0    0.061   1.003     3.309   95.238   86.667
LGA    N   104_A      N   104_A     1.546     0    0.325   0.981     4.572   61.190   54.881
LGA    N   105_A      N   105_A     4.982     0    0.634   1.014    11.573   45.357   24.167
LGA    E   106_A      E   106_A     1.655     0    0.124   0.799     7.719   65.000   44.233
LGA    R   107_A      R   107_A     1.215     0    0.051   0.943     2.129   79.286   76.017
LGA    F   108_A      F   108_A     1.826     0    0.088   1.299     4.877   75.000   64.892
LGA    V   109_A      V   109_A     1.279     0    0.037   1.121     3.310   77.143   72.109
LGA    H   110_A      H   110_A     1.288     0    0.051   1.498     4.193   81.429   69.095
LGA    S   111_A      S   111_A     0.832     0    0.026   0.647     2.187   88.214   84.683
LGA    F   112_A      F   112_A     0.241     0    0.037   0.098     0.423  100.000  100.000
LGA    T   113_A      T   113_A     0.188     0    0.025   0.107     0.346  100.000  100.000
LGA    C   114_A      C   114_A     0.231     0    0.027   0.043     0.380  100.000  100.000
LGA    G   115_A      G   115_A     0.204     0    0.711   0.711     2.157   91.190   91.190

# 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):     1.925          1.912                  2.659           80.169   73.502

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  110  103    4.0     98    1.60    83.981    90.934     5.782

LGA_LOCAL      RMSD:   1.595  Number of atoms:   98  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.931  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.925  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.261433 * X  +  -0.818102 * Y  +  -0.512212 * Z  + -22.417286
  Y_new =  -0.599409 * X  +  -0.553546 * Y  +   0.578183 * Z  +  62.394218
  Z_new =  -0.756546 * X  +   0.155869 * Y  +  -0.635094 * Z  +  21.755831 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.159519  0.858014  2.900923   [DEG:  -66.4355   49.1606  166.2107 ]
ZXZ: -2.416622  2.258926 -1.367612   [DEG: -138.4623  129.4269  -78.3584 ]
 
# END of job
