
#######################################################
#                                                     #
#                        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  106 (  837),  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       1.79     1.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.79     1.79
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64      13_A - 76_A        0.93     1.82
  LCS_AVERAGE:     44.58

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     64  103  103     24   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     64  103  103     38   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     64  103  103     36   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     64  103  103     28   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     64  103  103      4   72   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     64  103  103      3    9   29   51   81   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     64  103  103      3   40   80   92   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     64  103  103      3   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     64  103  103     61   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     64  103  103     39   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     64  103  103     30   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     64  103  103     56   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     64  103  103     29   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     64  103  103     15   65   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     64  103  103     65   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     64  103  103     34   82   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     64  103  103     57   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     64  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     64  103  103     28   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     64  103  103     15   80   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     64  103  103     12   67   89   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     59  103  103      4    7   19   41   74   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A      6  103  103      3    7   12   18   33   55   93   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A      6  103  103      3    6    7    9   21   29   40   77   91  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A      5  103  103      3    4   10   14   50   71   93   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A      5  103  103      3    4    5    9   30   71   82   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A      5  103  103      3    4    9   37   63   93   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     21  103  103      3   52   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     21  103  103     53   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     21  103  103     61   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     21  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     21  103  103      3    8   82   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A      3  103  103      3    4    7   11   27   50   87   96   96   99  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A      3  103  103      3    4   10   15   27   45   84   96   96   98  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     10  103  103      5   49   87   93   94   94   95   97  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     10  103  103      5   77   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     10  103  103     63   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     10  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     10  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     10  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     10  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     10  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     10  103  103     67   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     10  103  103     15   83   90   93   94   94   96   98  100  101  101  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  81.53  (  44.58  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     67     83     90     93     94     94     96     98    100    101    101    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  65.05  80.58  87.38  90.29  91.26  91.26  93.20  95.15  97.09  98.06  98.06 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.49   0.60   0.71   0.75   0.75   1.07   1.30   1.43   1.54   1.54   1.79   1.79   1.79   1.79   1.79   1.79   1.79   1.79   1.79
GDT RMS_ALL_AT   1.86   1.84   1.84   1.83   1.83   1.83   1.81   1.81   1.81   1.81   1.81   1.79   1.79   1.79   1.79   1.79   1.79   1.79   1.79   1.79

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E   101_A      E   101_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  F   108_A      F   108_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     1.198     0    0.484   0.484     2.510   73.214   73.214
LGA    W    14_A      W    14_A     0.974     0    0.050   0.133     1.349   88.214   85.952
LGA    Q    15_A      Q    15_A     0.857     0    0.015   1.068     3.353   90.476   83.968
LGA    K    16_A      K    16_A     0.918     0    0.313   0.774     3.465   86.071   77.302
LGA    K    17_A      K    17_A     1.442     0    0.044   1.156     5.056   58.095   53.122
LGA    T    18_A      T    18_A     4.575     0    0.040   0.160     9.250   35.833   22.789
LGA    P    19_A      P    19_A     2.167     0    0.072   0.388     2.743   71.190   66.259
LGA    V    20_A      V    20_A     0.777     0    0.122   0.143     1.215   90.595   90.544
LGA    D    21_A      D    21_A     0.728     0    0.077   0.940     3.427   90.595   76.071
LGA    N    22_A      N    22_A     0.554     0    0.072   0.113     0.666   90.476   91.667
LGA    E    23_A      E    23_A     0.649     0    0.046   0.877     6.525   92.857   60.899
LGA    Q    24_A      Q    24_A     0.632     0    0.037   0.699     4.853   92.857   73.122
LGA    Y    25_A      Y    25_A     0.751     0    0.012   0.791     3.560   90.476   75.238
LGA    K    26_A      K    26_A     0.884     0    0.008   0.864     4.356   90.476   69.312
LGA    E    27_A      E    27_A     0.755     0    0.043   1.299     6.813   90.476   64.286
LGA    L    28_A      L    28_A     0.516     0    0.031   0.103     0.521   90.476   95.238
LGA    A    29_A      A    29_A     0.515     0    0.033   0.042     0.591   92.857   92.381
LGA    H    30_A      H    30_A     0.608     0    0.045   0.125     0.936   90.476   90.476
LGA    F    31_A      F    31_A     0.587     0    0.045   0.275     1.132   90.476   89.697
LGA    A    32_A      A    32_A     0.577     0    0.045   0.047     0.610   90.476   90.476
LGA    V    33_A      V    33_A     0.443     0    0.048   1.297     2.805   97.619   86.122
LGA    S    34_A      S    34_A     0.239     0    0.026   0.051     0.770   97.619   96.825
LGA    K    35_A      K    35_A     0.711     0    0.014   0.363     2.272   90.476   84.656
LGA    Q    36_A      Q    36_A     0.682     0    0.021   0.207     1.031   90.476   89.471
LGA    V    37_A      V    37_A     1.167     0    0.057   0.084     1.330   81.429   81.429
LGA    E    38_A      E    38_A     1.673     0    0.044   1.114     6.684   77.143   52.063
LGA    G    39_A      G    39_A     0.865     0    0.015   0.015     1.101   88.214   88.214
LGA    R    40_A      R    40_A     0.621     0    0.021   0.107     0.829   90.476   90.476
LGA    E    41_A      E    41_A     0.680     0    0.096   0.297     2.009   90.476   81.693
LGA    F    42_A      F    42_A     0.473     0    0.035   0.071     0.974   95.238   93.074
LGA    F    43_A      F    43_A     0.563     0    0.035   0.132     0.780   95.238   92.208
LGA    D    44_A      D    44_A     0.219     0    0.043   0.102     0.977  100.000   95.238
LGA    T    45_A      T    45_A     0.343     0    0.045   0.080     0.630  100.000   95.918
LGA    V    46_A      V    46_A     0.493     0    0.020   0.038     0.873   95.238   93.197
LGA    L    47_A      L    47_A     0.596     0    0.034   0.082     0.686   90.476   90.476
LGA    E    48_A      E    48_A     0.741     0    0.012   0.261     1.506   92.857   88.571
LGA    V    49_A      V    49_A     0.290     0    0.062   0.063     0.509   97.619   98.639
LGA    T    50_A      T    50_A     0.496     0    0.074   1.099     2.876  100.000   88.639
LGA    D    51_A      D    51_A     0.158     0    0.051   0.970     4.424  100.000   83.333
LGA    V    52_A      V    52_A     0.184     0    0.044   0.141     0.594  100.000   98.639
LGA    E    53_A      E    53_A     0.347     0    0.015   0.860     3.722  100.000   85.873
LGA    T    54_A      T    54_A     0.494     0    0.057   0.128     0.499  100.000  100.000
LGA    Q    55_A      Q    55_A     0.358     0    0.042   0.607     1.959   97.619   87.725
LGA    V    56_A      V    56_A     0.398     0    0.033   0.065     0.476  100.000  100.000
LGA    V    57_A      V    57_A     0.710     0    0.066   1.210     2.917   90.476   82.041
LGA    A    58_A      A    58_A     1.302     0    0.527   0.528     3.740   69.762   72.095
LGA    G    59_A      G    59_A     0.494     0    0.025   0.025     0.598   95.238   95.238
LGA    T    60_A      T    60_A     0.477     0    0.019   0.089     0.565   95.238   95.918
LGA    N    61_A      N    61_A     0.522     0    0.055   0.078     0.540   95.238   96.429
LGA    Y    62_A      Y    62_A     0.252     0    0.046   0.141     0.558  100.000   98.413
LGA    R    63_A      R    63_A     0.435     0    0.012   0.901     3.139  100.000   83.896
LGA    I    64_A      I    64_A     0.399     0    0.010   0.576     1.723   95.238   91.845
LGA    T    65_A      T    65_A     0.514     0    0.035   0.079     0.624   92.857   94.558
LGA    F    66_A      F    66_A     0.513     0    0.022   0.071     0.755   92.857   92.208
LGA    K    67_A      K    67_A     0.562     0    0.008   0.142     1.332   97.619   92.646
LGA    I    68_A      I    68_A     0.345     0    0.031   0.071     0.686   97.619   97.619
LGA    A    69_A      A    69_A     0.666     0    0.024   0.030     1.063   95.238   92.476
LGA    E    70_A      E    70_A     0.059     0    0.020   0.716     2.203  100.000   87.037
LGA    S    71_A      S    71_A     0.467     0    0.050   0.124     0.832   95.238   93.651
LGA    T    72_A      T    72_A     0.602     0    0.086   0.106     1.050   90.476   89.184
LGA    C    73_A      C    73_A     0.679     0    0.093   0.141     0.974   92.857   92.063
LGA    R    74_A      R    74_A     1.036     0    0.112   1.404     3.784   81.548   79.697
LGA    V    75_A      V    75_A     1.447     0    0.145   1.140     3.203   77.262   70.068
LGA    T    76_A      T    76_A     1.556     0    0.028   0.145     3.182   65.357   68.571
LGA    E    77_A      E    77_A     3.923     0    0.661   1.072     6.410   37.262   37.460
LGA    T    78_A      T    78_A     5.134     0    0.638   0.548     7.370   28.929   22.313
LGA    Y    79_A      Y    79_A     5.955     0    0.054   1.082    15.755   23.810    8.889
LGA    S    80_A      S    80_A     5.201     0    0.109   0.570     5.261   27.500   27.063
LGA    K    81_A      K    81_A     5.650     0    0.253   0.655    11.414   26.310   13.862
LGA    E    82_A      E    82_A     4.274     0    0.018   0.816     9.277   41.905   26.878
LGA    T    83_A      T    83_A     1.620     0    0.716   0.944     3.231   68.929   66.327
LGA    C    84_A      C    84_A     0.903     0    0.041   0.201     1.010   88.214   88.968
LGA    L    85_A      L    85_A     0.802     0    0.033   0.134     1.876   90.476   84.940
LGA    P    86_A      P    86_A     0.415     0    0.043   0.051     0.697   97.619   94.558
LGA    K    87_A      K    87_A     0.235     0    0.036   0.751     4.712  100.000   76.720
LGA    T    88_A      T    88_A     0.244     0    0.028   0.120     0.527  100.000   98.639
LGA    R    89_A      R    89_A     0.112     6    0.052   0.049     0.279  100.000   45.455
LGA    D    90_A      D    90_A     0.406     0    0.036   0.255     1.214   97.619   92.917
LGA    V    91_A      V    91_A     0.486     0    0.016   0.040     0.573   95.238   93.197
LGA    K    92_A      K    92_A     0.804     0    0.138   0.904     7.385   92.857   63.280
LGA    S    93_A      S    93_A     0.688     0    0.105   0.627     1.346   95.238   90.635
LGA    T    94_A      T    94_A     0.578     0    0.043   0.102     0.902   95.238   93.197
LGA    C    95_A      C    95_A     0.214     0    0.042   0.084     0.436  100.000  100.000
LGA    T    96_A      T    96_A     0.642     0    0.024   0.041     0.911   95.238   93.197
LGA    A    97_A      A    97_A     0.582     0    0.009   0.024     0.698   95.238   94.286
LGA    V    98_A      V    98_A     0.549     0    0.008   0.029     0.556   90.476   90.476
LGA    I    99_A      I    99_A     0.557     0    0.023   0.551     1.476   95.238   91.726
LGA    T   100_A      T   100_A     0.523     0    0.029   0.130     0.600   90.476   94.558
LGA    E   101_A      E   101_A     0.647     0    0.018   0.549     1.371   90.476   88.466
LGA    P   102_A      P   102_A     0.896     0    0.653   0.642     2.659   82.143   84.422
LGA    L   103_A      L   103_A     2.382     0    0.613   0.869     6.734   52.500   39.286
LGA    N   104_A      N   104_A     7.139     0    0.326   0.879    10.408   10.833    6.548
LGA    N   105_A      N   105_A     6.849     0    0.708   0.547    11.355   23.333   12.262
LGA    E   106_A      E   106_A     2.822     0    0.078   1.021     8.063   47.143   31.693
LGA    R   107_A      R   107_A     1.541     0    0.142   1.061     4.923   77.143   65.758
LGA    F   108_A      F   108_A     0.796     0    0.129   1.215     5.158   90.476   71.732
LGA    V   109_A      V   109_A     0.394     0    0.045   0.082     0.748   97.619   97.279
LGA    H   110_A      H   110_A     0.313     0    0.099   0.148     1.541  100.000   89.810
LGA    S   111_A      S   111_A     0.255     0    0.021   0.032     0.429  100.000  100.000
LGA    F   112_A      F   112_A     0.259     0    0.058   0.121     0.637   97.619   97.403
LGA    T   113_A      T   113_A     0.350     0    0.054   1.016     2.907   97.619   86.122
LGA    C   114_A      C   114_A     0.221     0    0.027   0.107     0.755   95.238   95.238
LGA    G   115_A      G   115_A     0.960     0    0.700   0.700     3.110   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):     1.792          1.838                  2.727           85.331   79.260

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  106  103    4.0     98    1.30    91.505    94.788     7.011

LGA_LOCAL      RMSD:   1.298  Number of atoms:   98  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.812  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.792  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.871602 * X  +   0.182731 * Y  +   0.454885 * Z  + -47.930969
  Y_new =   0.041413 * X  +  -0.952059 * Y  +   0.303098 * Z  +  45.647049
  Z_new =   0.488462 * X  +  -0.245343 * Y  +  -0.837384 * Z  +  10.449058 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.047478 -0.510327 -2.856582   [DEG:    2.7203  -29.2396 -163.6701 ]
ZXZ:  2.158558  2.563275  2.036263   [DEG:  123.6763  146.8649  116.6693 ]
 
# END of job
