
#######################################################
#                                                     #
#                        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       1.82     1.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.82     1.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      25_A - 72_A        0.99     1.88
  LONGEST_CONTINUOUS_SEGMENT:    48      26_A - 73_A        0.99     1.87
  LCS_AVERAGE:     30.80

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G    13_A     G    13_A      7  103  103     12   37   61   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     19   54   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     21   54   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     20   54   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     17   54   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103     12   31   61   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      4    4    8   22   34   51   65   91  101  101  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   11   83   93   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     15  103  103      4    6    7   14   34   48   79   93   93   99  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     35  103  103      7   21   54   73   88   91   95   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     35  103  103     14   45   74   87   91   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     35  103  103     11   45   73   87   91   95   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     48  103  103     23   53   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     48  103  103     24   56   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     48  103  103     24   56   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     48  103  103     22   56   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     48  103  103     29   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     48  103  103     18   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     48  103  103     27   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     48  103  103     13   46   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     48  103  103      4   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     48  103  103     19   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     48  103  103     24   57   79   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     48  103  103     29   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     48  103  103     18   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     48  103  103     30   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     48  103  103     21   56   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     48  103  103     21   58   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     48  103  103     21   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     48  103  103      5   37   70   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     48  103  103      3    4   11   69   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     48  103  103     29   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     48  103  103     15   59   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     48  103  103     20   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     48  103  103     10   54   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     48  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     48  103  103     29   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     48  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     47  103  103     24   54   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     30  103  103     13   46   75   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     30  103  103     16   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     30  103  103     23   53   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     30  103  103     24   49   78   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     30  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     30  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     30  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     30  103  103     23   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     30  103  103      9   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     30  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     30  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     30  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     30  103  103     24   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     30  103  103      3   13   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A      5  103  103      4    4   10   72   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A      5  103  103      4    4   43   62   90   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A      5  103  103      4    9   24   50   85   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     12  103  103     14   46   78   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     12  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     12  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     12  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     12  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     12  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     12  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     12  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     12  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     12  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     12  103  103      4   42   73   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     12  103  103      4   20   66   82   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     12  103  103      5   20   66   83   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A      5  103  103      3    3   12   21   31   70   96   97   99  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     10  103  103      6   36   66   84   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     10  103  103      6   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     10  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     10  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     10  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     10  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     10  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     10  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     10  103  103     32   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     10  103  103     19   60   80   87   91   96   98   99  101  101  102  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  76.93  (  30.80  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     32     60     80     87     91     96     98     99    101    101    102    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  31.07  58.25  77.67  84.47  88.35  93.20  95.15  96.12  98.06  98.06  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.66   0.90   1.01   1.12   1.36   1.41   1.48   1.61   1.61   1.70   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82
GDT RMS_ALL_AT   1.91   1.90   1.87   1.88   1.85   1.84   1.83   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82   1.82

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  E    48_A      E    48_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   101_A      E   101_A
#   possible swapping detected:  E   106_A      E   106_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     2.161     0    0.674   0.674     2.781   69.048   69.048
LGA    W    14_A      W    14_A     1.275     0    0.090   0.071     2.061   77.143   75.952
LGA    Q    15_A      Q    15_A     1.143     0    0.048   1.264     5.192   83.690   69.312
LGA    K    16_A      K    16_A     1.367     0    0.042   0.652     2.116   81.429   77.725
LGA    K    17_A      K    17_A     1.434     0    0.095   0.663     2.051   79.286   77.672
LGA    T    18_A      T    18_A     2.481     0    0.097   1.204     6.510   51.071   41.020
LGA    P    19_A      P    19_A     4.957     0    0.641   0.584     5.951   37.262   31.156
LGA    V    20_A      V    20_A     4.857     0    0.109   1.176     8.334   29.524   20.476
LGA    D    21_A      D    21_A     6.683     0    0.285   0.958     9.539   18.810   10.774
LGA    N    22_A      N    22_A     4.449     0    0.051   0.127     5.485   42.262   36.905
LGA    E    23_A      E    23_A     2.784     0    0.042   1.001     3.540   59.524   63.651
LGA    Q    24_A      Q    24_A     2.661     0    0.025   1.062     4.042   62.976   64.868
LGA    Y    25_A      Y    25_A     1.856     0    0.082   0.276     2.594   70.833   68.214
LGA    K    26_A      K    26_A     1.608     0    0.055   0.839     2.514   77.143   71.217
LGA    E    27_A      E    27_A     1.530     0    0.023   1.310     4.062   77.143   68.466
LGA    L    28_A      L    28_A     1.396     0    0.028   0.856     2.952   83.690   75.298
LGA    A    29_A      A    29_A     0.806     0    0.034   0.041     1.054   88.214   88.667
LGA    H    30_A      H    30_A     0.815     0    0.039   0.079     1.053   90.476   88.667
LGA    F    31_A      F    31_A     1.110     0    0.016   0.199     2.012   81.429   78.355
LGA    A    32_A      A    32_A     0.813     0    0.037   0.036     0.934   90.476   90.476
LGA    V    33_A      V    33_A     0.696     0    0.098   0.203     1.260   88.214   91.905
LGA    S    34_A      S    34_A     1.408     0    0.039   0.087     1.648   79.286   77.143
LGA    K    35_A      K    35_A     0.449     0    0.188   0.964     5.796   95.238   68.571
LGA    Q    36_A      Q    36_A     0.986     0    0.017   1.045     4.420   90.476   73.175
LGA    V    37_A      V    37_A     0.733     0    0.059   0.079     0.975   90.476   90.476
LGA    E    38_A      E    38_A     1.480     0    0.044   1.054     3.243   83.690   71.587
LGA    G    39_A      G    39_A     1.060     0    0.082   0.082     1.242   85.952   85.952
LGA    R    40_A      R    40_A     0.887     0    0.044   0.798     2.178   88.214   80.823
LGA    E    41_A      E    41_A     1.164     0    0.077   0.649     1.720   88.214   82.540
LGA    F    42_A      F    42_A     0.779     0    0.063   0.143     1.309   90.476   88.009
LGA    F    43_A      F    43_A     0.632     0    0.046   0.107     1.461   95.238   88.095
LGA    D    44_A      D    44_A     0.378     0    0.024   1.250     4.742  100.000   81.667
LGA    T    45_A      T    45_A     0.438     0    0.034   0.096     0.625   95.238   95.918
LGA    V    46_A      V    46_A     0.519     0    0.021   1.133     2.434   92.857   85.850
LGA    L    47_A      L    47_A     0.851     0    0.045   1.423     3.905   90.476   79.167
LGA    E    48_A      E    48_A     0.605     0    0.020   0.706     2.900   90.476   84.762
LGA    V    49_A      V    49_A     0.768     0    0.070   0.135     1.123   88.214   87.891
LGA    T    50_A      T    50_A     0.717     0    0.113   1.115     3.190   86.071   78.503
LGA    D    51_A      D    51_A     1.087     0    0.055   0.478     2.795   88.214   76.667
LGA    V    52_A      V    52_A     0.901     0    0.030   0.051     1.102   88.214   86.599
LGA    E    53_A      E    53_A     0.380     0    0.036   0.723     2.346   97.619   87.831
LGA    T    54_A      T    54_A     0.324     0    0.025   0.113     0.461  100.000  100.000
LGA    Q    55_A      Q    55_A     0.775     0    0.036   1.078     2.843   90.476   83.757
LGA    V    56_A      V    56_A     0.865     0    0.059   1.065     2.801   85.952   79.456
LGA    V    57_A      V    57_A     1.839     0    0.393   1.248     4.796   60.714   61.769
LGA    A    58_A      A    58_A     2.863     0    0.476   0.455     4.492   56.071   54.857
LGA    G    59_A      G    59_A     1.291     0    0.077   0.077     1.369   81.429   81.429
LGA    T    60_A      T    60_A     1.698     0    0.046   0.083     2.054   72.857   71.701
LGA    N    61_A      N    61_A     1.456     0    0.047   0.290     2.753   79.286   73.095
LGA    Y    62_A      Y    62_A     0.608     0    0.042   0.145     1.574   95.238   87.579
LGA    R    63_A      R    63_A     0.350     0    0.026   1.016     4.376  100.000   82.727
LGA    I    64_A      I    64_A     0.342     0    0.023   0.089     0.942   97.619   94.048
LGA    T    65_A      T    65_A     0.453     0    0.051   0.104     0.890  100.000   98.639
LGA    F    66_A      F    66_A     0.584     0    0.051   0.213     1.144   90.476   90.519
LGA    K    67_A      K    67_A     0.622     0    0.047   0.714     3.197   90.476   85.979
LGA    I    68_A      I    68_A     1.011     0    0.038   0.724     2.050   83.690   81.607
LGA    A    69_A      A    69_A     1.182     0    0.063   0.080     1.412   85.952   85.048
LGA    E    70_A      E    70_A     0.547     0    0.026   0.125     0.703   90.476   90.476
LGA    S    71_A      S    71_A     0.687     0    0.051   0.091     0.907   90.476   90.476
LGA    T    72_A      T    72_A     1.122     0    0.047   0.125     1.322   83.690   84.014
LGA    C    73_A      C    73_A     1.150     0    0.026   0.106     1.202   81.429   81.429
LGA    R    74_A      R    74_A     1.686     0    0.046   0.847     4.788   75.000   59.524
LGA    V    75_A      V    75_A     2.029     0    0.733   0.663     5.106   55.238   59.388
LGA    T    76_A      T    76_A     1.277     0    0.055   1.394     3.915   79.286   71.293
LGA    E    77_A      E    77_A     1.539     0    0.093   0.573     1.990   75.000   74.762
LGA    T    78_A      T    78_A     1.663     0    0.091   1.131     4.027   77.143   65.986
LGA    Y    79_A      Y    79_A     0.945     0    0.029   0.120     1.196   88.214   89.722
LGA    S    80_A      S    80_A     0.563     0    0.033   0.048     0.657   95.238   93.651
LGA    K    81_A      K    81_A     0.517     0    0.058   0.830     4.422   92.857   74.656
LGA    E    82_A      E    82_A     1.408     0    0.128   1.323     4.590   77.381   65.979
LGA    T    83_A      T    83_A     1.423     0    0.063   1.219     3.136   79.286   73.333
LGA    C    84_A      C    84_A     1.024     0    0.053   0.071     1.233   88.333   87.540
LGA    L    85_A      L    85_A     1.187     0    0.033   0.105     2.919   85.952   75.417
LGA    P    86_A      P    86_A     0.609     0    0.076   0.248     1.271   90.476   87.891
LGA    K    87_A      K    87_A     1.173     0    0.660   0.804     3.932   75.833   69.524
LGA    T    88_A      T    88_A     1.496     0    0.155   0.254     5.046   62.857   51.293
LGA    R    89_A      R    89_A     3.697     6    0.176   0.177     5.813   45.238   18.831
LGA    D    90_A      D    90_A     3.452     0    0.153   0.802     6.393   59.286   42.619
LGA    V    91_A      V    91_A     3.885     0    0.138   1.003     7.071   50.833   35.442
LGA    K    92_A      K    92_A     1.998     0    0.580   0.811    13.970   75.000   38.466
LGA    S    93_A      S    93_A     0.337     0    0.077   0.566     1.515   92.857   89.127
LGA    T    94_A      T    94_A     0.696     0    0.029   0.103     1.313   90.476   86.599
LGA    C    95_A      C    95_A     0.440     0    0.024   0.087     0.532   97.619   98.413
LGA    T    96_A      T    96_A     0.639     0    0.033   0.069     0.931   92.857   91.837
LGA    A    97_A      A    97_A     0.551     0    0.039   0.061     0.616   92.857   92.381
LGA    V    98_A      V    98_A     0.612     0    0.045   0.074     0.713   90.476   90.476
LGA    I    99_A      I    99_A     0.729     0    0.075   0.498     1.480   90.476   89.345
LGA    T   100_A      T   100_A     0.603     0    0.070   0.118     1.043   92.857   91.905
LGA    E   101_A      E   101_A     0.677     0    0.190   0.817     2.371   88.214   80.899
LGA    P   102_A      P   102_A     1.972     0    0.056   0.077     2.274   70.952   70.680
LGA    L   103_A      L   103_A     3.103     0    0.028   1.186     3.882   51.786   56.667
LGA    N   104_A      N   104_A     3.090     0    0.539   1.082     5.729   39.643   51.310
LGA    N   105_A      N   105_A     5.805     0    0.265   1.080    11.838   36.548   18.869
LGA    E   106_A      E   106_A     2.489     0    0.063   0.954     5.562   54.048   41.005
LGA    R   107_A      R   107_A     1.000     0    0.100   0.699     4.168   88.214   73.593
LGA    F   108_A      F   108_A     0.778     0    0.041   0.111     1.200   90.476   88.009
LGA    V   109_A      V   109_A     0.649     0    0.019   0.066     0.769   90.476   91.837
LGA    H   110_A      H   110_A     0.706     0    0.033   1.138     3.037   90.476   80.429
LGA    S   111_A      S   111_A     0.538     0    0.034   0.037     0.715   90.476   90.476
LGA    F   112_A      F   112_A     0.504     0    0.029   0.181     0.903   90.476   90.476
LGA    T   113_A      T   113_A     0.736     0    0.068   1.102     2.685   90.476   82.041
LGA    C   114_A      C   114_A     0.382     0    0.021   0.658     1.783   92.857   89.127
LGA    G   115_A      G   115_A     0.919     0    0.713   0.713     3.134   78.095   78.095

# 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):     1.818          1.837                  2.441           80.318   74.938

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0     99    1.48    84.709    92.067     6.280

LGA_LOCAL      RMSD:   1.477  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.823  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.818  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.631599 * X  +  -0.664581 * Y  +  -0.399268 * Z  + -11.553795
  Y_new =   0.535808 * X  +  -0.746377 * Y  +   0.394754 * Z  +  29.291939
  Z_new =  -0.560350 * X  +   0.035395 * Y  +   0.827499 * Z  +  -3.142053 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.438066  0.594809  0.042748   [DEG:  139.6909   34.0800    2.4493 ]
ZXZ: -2.350510  0.596158 -1.507714   [DEG: -134.6743   34.1573  -86.3856 ]
 
# END of job
