
#######################################################
#                                                     #
#                        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       1.75     1.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.75     1.75
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66      23_A - 88_A        0.99     1.83
  LCS_AVERAGE:     44.93

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     14   45   68   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     19   53   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     28   56   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     23   55   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     26   56   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103      8   29   60   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      4    4    7   22   26   54   70   92  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A      4  103  103      4    4    4    7   18   83   93   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     15  103  103      4    6    7   13   34   50   77   94   96  100  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     51  103  103      8   20   54   73   90   92   96   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     66  103  103     13   44   76   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     66  103  103     19   41   76   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     66  103  103     20   54   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     66  103  103     21   58   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     66  103  103     26   58   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     66  103  103     24   58   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     66  103  103     26   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     66  103  103     28   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     66  103  103     25   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     66  103  103     28   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     66  103  103     32   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     66  103  103     13   46   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     66  103  103      5   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     66  103  103     21   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     66  103  103     24   61   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     66  103  103     24   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     66  103  103     24   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     66  103  103     24   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     66  103  103     24   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     66  103  103     24   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     66  103  103     28   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     66  103  103     31   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     66  103  103     28   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     66  103  103     26   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     66  103  103     24   56   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     66  103  103     26   58   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     66  103  103     28   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     66  103  103     32   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     66  103  103     15   59   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     66  103  103     33   59   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     66  103  103     19   59   83   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     66  103  103     19   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     66  103  103     21   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     66  103  103     18   53   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     66  103  103     24   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     66  103  103     24   61   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     66  103  103     24   59   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     66  103  103     21   48   76   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     66  103  103     19   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     66  103  103     21   55   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     66  103  103     21   51   81   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     66  103  103     24   61   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     66  103  103     24   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     66  103  103     32   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     66  103  103     27   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     66  103  103     11   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     66  103  103     24   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     66  103  103     27   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     66  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     66  103  103     27   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     66  103  103      3   45   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A      6  103  103      3    5    6   44   87   95   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A      6  103  103      3   14   28   58   90   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A      6  103  103      3    9   24   57   80   95   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     13  103  103     13   45   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     13  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     13  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     13  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     13  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     13  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     13  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     13  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     13  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     13  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     13  103  103      4   53   80   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     13  103  103      3   44   79   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     13  103  103      3   21   70   89   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A      5  103  103      3    4   14   19   29   57   92   97  100  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     10  103  103      9   46   79   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     10  103  103     10   61   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     10  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     10  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     10  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     10  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     10  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     10  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     10  103  103     33   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     10  103  103     17   62   84   90   94   96   98   98  101  101  102  102  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  81.64  (  44.93  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     62     84     90     94     96     98     98    101    101    102    102    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  32.04  60.19  81.55  87.38  91.26  93.20  95.15  95.15  98.06  98.06  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.65   0.90   1.00   1.11   1.20   1.33   1.33   1.53   1.53   1.63   1.63   1.75   1.75   1.75   1.75   1.75   1.75   1.75   1.75
GDT RMS_ALL_AT   1.87   1.82   1.77   1.77   1.76   1.76   1.76   1.76   1.75   1.75   1.75   1.75   1.75   1.75   1.75   1.75   1.75   1.75   1.75   1.75

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  E    38_A      E    38_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:  F   108_A      F   108_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     2.033     0    0.669   0.669     2.867   71.310   71.310
LGA    W    14_A      W    14_A     1.204     0    0.101   0.109     2.415   79.286   73.639
LGA    Q    15_A      Q    15_A     1.066     0    0.051   1.026     4.835   85.952   73.492
LGA    K    16_A      K    16_A     1.341     0    0.043   0.809     3.868   81.429   69.101
LGA    K    17_A      K    17_A     1.335     0    0.087   0.998     2.671   77.143   73.069
LGA    T    18_A      T    18_A     2.440     0    0.079   0.982     5.476   51.071   45.306
LGA    P    19_A      P    19_A     4.898     0    0.652   0.798     6.578   37.262   30.000
LGA    V    20_A      V    20_A     4.943     0    0.120   1.183     8.422   29.524   20.476
LGA    D    21_A      D    21_A     6.737     0    0.281   1.106     8.444   16.667   11.964
LGA    N    22_A      N    22_A     4.461     0    0.053   0.503     5.153   42.262   36.190
LGA    E    23_A      E    23_A     2.934     0    0.042   0.698     3.644   59.524   65.344
LGA    Q    24_A      Q    24_A     2.694     0    0.027   1.116     6.445   62.976   47.407
LGA    Y    25_A      Y    25_A     1.826     0    0.082   0.286     2.564   70.833   70.992
LGA    K    26_A      K    26_A     1.593     0    0.046   0.882     3.143   77.143   67.937
LGA    E    27_A      E    27_A     1.507     0    0.025   1.301     4.188   77.143   68.466
LGA    L    28_A      L    28_A     1.302     0    0.036   0.303     1.787   83.690   81.488
LGA    A    29_A      A    29_A     0.789     0    0.038   0.047     1.032   88.214   88.667
LGA    H    30_A      H    30_A     0.754     0    0.040   1.016     2.857   90.476   80.095
LGA    F    31_A      F    31_A     1.012     0    0.017   0.200     1.884   88.214   81.558
LGA    A    32_A      A    32_A     0.685     0    0.041   0.039     0.818   90.476   90.476
LGA    V    33_A      V    33_A     0.652     0    0.096   0.213     1.194   88.214   91.905
LGA    S    34_A      S    34_A     1.317     0    0.044   0.086     1.592   81.548   80.079
LGA    K    35_A      K    35_A     0.273     0    0.167   1.125     7.064   97.619   69.471
LGA    Q    36_A      Q    36_A     0.905     0    0.016   0.345     3.082   90.476   74.603
LGA    V    37_A      V    37_A     0.676     0    0.058   0.077     0.836   90.476   90.476
LGA    E    38_A      E    38_A     1.203     0    0.034   1.032     3.228   88.214   76.243
LGA    G    39_A      G    39_A     0.857     0    0.093   0.093     1.006   90.595   90.595
LGA    R    40_A      R    40_A     0.718     0    0.046   0.794     2.007   88.214   82.424
LGA    E    41_A      E    41_A     1.058     0    0.085   0.864     2.750   88.214   78.889
LGA    F    42_A      F    42_A     0.672     0    0.067   0.106     1.086   92.857   89.697
LGA    F    43_A      F    43_A     0.559     0    0.045   0.106     1.773   95.238   85.758
LGA    D    44_A      D    44_A     0.409     0    0.030   0.086     0.654  100.000   95.238
LGA    T    45_A      T    45_A     0.451     0    0.034   0.106     0.682   95.238   95.918
LGA    V    46_A      V    46_A     0.530     0    0.018   0.080     0.543   92.857   94.558
LGA    L    47_A      L    47_A     0.715     0    0.028   1.004     2.886   90.476   83.095
LGA    E    48_A      E    48_A     0.547     0    0.015   0.672     2.042   90.476   81.746
LGA    V    49_A      V    49_A     0.794     0    0.081   0.142     1.173   88.214   87.891
LGA    T    50_A      T    50_A     0.796     0    0.107   1.118     3.193   83.810   77.211
LGA    D    51_A      D    51_A     1.242     0    0.057   0.353     3.018   85.952   74.524
LGA    V    52_A      V    52_A     1.018     0    0.027   0.049     1.222   85.952   85.306
LGA    E    53_A      E    53_A     0.504     0    0.035   0.740     2.364   95.238   86.772
LGA    T    54_A      T    54_A     0.236     0    0.018   0.071     0.377  100.000  100.000
LGA    Q    55_A      Q    55_A     0.759     0    0.055   0.783     2.870   90.476   83.757
LGA    V    56_A      V    56_A     1.177     0    0.032   1.055     3.065   81.429   75.850
LGA    V    57_A      V    57_A     1.373     0    0.420   1.204     3.704   69.762   69.184
LGA    A    58_A      A    58_A     1.242     0    0.305   0.299     1.819   79.286   81.524
LGA    G    59_A      G    59_A     0.973     0    0.069   0.069     1.217   85.952   85.952
LGA    T    60_A      T    60_A     1.628     0    0.068   0.952     3.672   79.286   73.537
LGA    N    61_A      N    61_A     1.271     0    0.040   0.314     2.730   85.952   78.512
LGA    Y    62_A      Y    62_A     0.450     0    0.040   0.133     1.147   97.619   91.349
LGA    R    63_A      R    63_A     0.323     0    0.027   0.953     4.501  100.000   84.675
LGA    I    64_A      I    64_A     0.266     0    0.025   1.138     2.957   97.619   82.500
LGA    T    65_A      T    65_A     0.475     0    0.048   0.101     1.001  100.000   94.626
LGA    F    66_A      F    66_A     0.602     0    0.036   0.316     2.092   90.476   84.935
LGA    K    67_A      K    67_A     0.546     0    0.060   0.889     4.340   92.857   82.910
LGA    I    68_A      I    68_A     1.058     0    0.038   0.632     2.767   81.548   78.452
LGA    A    69_A      A    69_A     1.269     0    0.066   0.087     1.525   85.952   83.333
LGA    E    70_A      E    70_A     0.543     0    0.022   0.250     0.910   90.476   92.593
LGA    S    71_A      S    71_A     0.619     0    0.041   0.482     2.169   90.476   87.778
LGA    T    72_A      T    72_A     1.125     0    0.055   0.136     1.380   83.690   84.014
LGA    C    73_A      C    73_A     1.140     0    0.037   0.693     1.866   83.690   81.508
LGA    R    74_A      R    74_A     1.537     0    0.039   1.136     2.835   75.000   73.896
LGA    V    75_A      V    75_A     1.851     0    0.730   0.669     4.909   58.571   62.381
LGA    T    76_A      T    76_A     1.000     0    0.059   1.395     3.581   81.548   73.878
LGA    E    77_A      E    77_A     1.375     0    0.089   0.586     2.146   79.286   77.672
LGA    T    78_A      T    78_A     1.632     0    0.052   1.135     4.051   77.143   65.986
LGA    Y    79_A      Y    79_A     0.924     0    0.028   0.102     1.181   88.214   89.722
LGA    S    80_A      S    80_A     0.595     0    0.037   0.051     0.715   95.238   93.651
LGA    K    81_A      K    81_A     0.476     0    0.055   0.860     4.647   95.238   72.698
LGA    E    82_A      E    82_A     1.236     0    0.143   0.527     3.325   81.548   71.799
LGA    T    83_A      T    83_A     1.263     0    0.077   1.214     2.941   79.286   74.354
LGA    C    84_A      C    84_A     0.947     0    0.058   0.124     0.956   92.857   92.063
LGA    L    85_A      L    85_A     1.133     0    0.028   1.391     5.059   85.952   65.417
LGA    P    86_A      P    86_A     0.592     0    0.077   0.250     1.339   90.476   87.891
LGA    K    87_A      K    87_A     1.158     0    0.660   0.749     3.500   74.167   71.217
LGA    T    88_A      T    88_A     1.345     0    0.095   1.172     5.770   62.857   50.612
LGA    R    89_A      R    89_A     4.226     6    0.162   0.163     6.347   39.048   15.758
LGA    D    90_A      D    90_A     3.528     0    0.123   0.804     6.561   57.619   40.714
LGA    V    91_A      V    91_A     3.880     0    0.140   1.034     7.104   50.833   34.830
LGA    K    92_A      K    92_A     2.030     0    0.587   0.822    13.194   72.976   38.148
LGA    S    93_A      S    93_A     0.492     0    0.095   0.629     1.694   92.857   89.127
LGA    T    94_A      T    94_A     0.749     0    0.030   0.109     1.482   92.857   87.959
LGA    C    95_A      C    95_A     0.472     0    0.027   0.702     2.760   97.619   91.270
LGA    T    96_A      T    96_A     0.558     0    0.028   0.057     0.778   95.238   93.197
LGA    A    97_A      A    97_A     0.445     0    0.043   0.060     0.554   97.619   98.095
LGA    V    98_A      V    98_A     0.500     0    0.048   0.078     0.611   95.238   97.279
LGA    I    99_A      I    99_A     0.611     0    0.077   0.511     1.659   92.857   89.464
LGA    T   100_A      T   100_A     0.584     0    0.069   0.961     2.450   92.857   86.871
LGA    E   101_A      E   101_A     0.664     0    0.168   0.681     1.870   88.214   85.608
LGA    P   102_A      P   102_A     1.705     0    0.079   0.133     1.862   75.000   75.306
LGA    L   103_A      L   103_A     2.185     0    0.040   0.128     3.559   64.762   59.226
LGA    N   104_A      N   104_A     2.541     0    0.570   1.571     6.010   44.048   50.655
LGA    N   105_A      N   105_A     5.761     0    0.645   1.138    11.651   33.214   17.500
LGA    E   106_A      E   106_A     1.948     0    0.033   1.230     9.443   57.738   35.979
LGA    R   107_A      R   107_A     1.045     0    0.094   0.385     4.104   85.952   71.255
LGA    F   108_A      F   108_A     1.026     0    0.059   1.131     5.183   88.214   68.485
LGA    V   109_A      V   109_A     0.623     0    0.024   0.075     0.821   90.476   91.837
LGA    H   110_A      H   110_A     0.604     0    0.026   1.212     4.929   92.857   74.952
LGA    S   111_A      S   111_A     0.440     0    0.029   0.045     0.519   97.619   98.413
LGA    F   112_A      F   112_A     0.373     0    0.029   0.207     0.633  100.000   97.403
LGA    T   113_A      T   113_A     0.639     0    0.110   1.016     2.451   90.476   83.129
LGA    C   114_A      C   114_A     0.373     0    0.023   0.078     0.865   97.619   95.238
LGA    G   115_A      G   115_A     0.756     0    0.714   0.714     3.004   80.357   80.357

# 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):     1.749          1.773                  2.449           81.637   75.414

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0     98    1.33    85.680    92.821     6.869

LGA_LOCAL      RMSD:   1.327  Number of atoms:   98  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.761  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.749  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.655598 * X  +  -0.662171 * Y  +  -0.362934 * Z  + -11.801802
  Y_new =   0.573156 * X  +  -0.749293 * Y  +   0.331740 * Z  +  29.482031
  Z_new =  -0.491613 * X  +   0.009470 * Y  +   0.870762 * Z  +  -4.043878 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.423188  0.513941  0.010876   [DEG:  138.8385   29.4466    0.6231 ]
ZXZ: -2.311321  0.514046 -1.551535   [DEG: -132.4289   29.4526  -88.8964 ]
 
# END of job
