
#######################################################
#                                                     #
#                        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       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      21_A - 115_A       1.00     1.14
  LCS_AVERAGE:     86.33

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     25   81   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A      7  103  103     42   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A      7  103  103     42   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A      7  103  103     41   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A      7  103  103     41   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A      7  103  103     14   34   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A      7  103  103      3    3    7   25   30   60   80  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     85  103  103      3    5    6   59   92   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     95  103  103      4    5    9   52   79   94  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     95  103  103      8   70   92   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     95  103  103     40   81   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     95  103  103     38   81   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     95  103  103     52   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     95  103  103     50   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     95  103  103     11   78   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     95  103  103      7   38   84   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     95  103  103     11   78   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     95  103  103     50   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     95  103  103     50   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     95  103  103     42   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     95  103  103     42   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     95  103  103     11   80   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     95  103  103     18   66   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     95  103  103     11   34   52   97   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     95  103  103     20   82   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     95  103  103     42   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     95  103  103     42   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     95  103  103     52   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     95  103  103     31   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     95  103  103      5   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     95  103  103     29   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     95  103  103     48   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     95  103  103     52   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     95  103  103     39   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     95  103  103     39   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     95  103  103     42   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     95  103  103     41   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     95  103  103     37   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     95  103  103     41   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     95  103  103      3   21   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     95  103  103      3    3    4    6   67   82   97  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     95  103  103      3   75   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     95  103  103     12   75   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     95  103  103      6   68   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     95  103  103     42   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     95  103  103     40   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     95  103  103     41   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     95  103  103     52   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     95  103  103     54   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     95  103  103     39   83   96   98   99   99  101  102  102  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  95.44  (  86.33  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     54     83     96     98     99     99    101    102    102    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  52.43  80.58  93.20  95.15  96.12  96.12  98.06  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.55   0.72   0.77   0.80   0.80   0.93   1.04   1.03   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13
GDT RMS_ALL_AT   1.30   1.16   1.14   1.14   1.14   1.14   1.14   1.13   1.14   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13

# 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    41_A      E    41_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  Y    62_A      Y    62_A
#   possible swapping detected:  E    70_A      E    70_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E    82_A      E    82_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     1.053     0    0.126   0.126     1.163   85.952   85.952
LGA    W    14_A      W    14_A     0.315     0    0.013   0.047     0.661   97.619   97.959
LGA    Q    15_A      Q    15_A     0.372     0    0.049   1.020     2.621  100.000   90.265
LGA    K    16_A      K    16_A     0.464     0    0.029   0.214     2.205   95.238   83.915
LGA    K    17_A      K    17_A     0.540     0    0.048   0.607     1.690   92.857   89.735
LGA    T    18_A      T    18_A     1.631     0    0.154   0.195     4.200   60.357   60.136
LGA    P    19_A      P    19_A     4.614     0    0.679   0.604     7.247   40.833   28.571
LGA    V    20_A      V    20_A     3.242     0    0.170   1.286     7.359   51.071   41.293
LGA    D    21_A      D    21_A     3.696     0    0.038   0.939     4.900   48.452   45.357
LGA    N    22_A      N    22_A     1.984     0    0.149   0.275     2.840   72.976   68.929
LGA    E    23_A      E    23_A     1.324     0    0.059   0.785     2.939   81.429   76.825
LGA    Q    24_A      Q    24_A     1.506     0    0.023   0.154     1.814   77.143   75.714
LGA    Y    25_A      Y    25_A     0.910     0    0.048   0.071     1.157   88.214   85.952
LGA    K    26_A      K    26_A     0.832     0    0.036   0.872     3.117   90.476   77.460
LGA    E    27_A      E    27_A     0.972     0    0.028   1.482     5.208   90.476   72.328
LGA    L    28_A      L    28_A     0.909     0    0.015   0.127     1.291   90.476   89.345
LGA    A    29_A      A    29_A     0.629     0    0.052   0.069     0.758   90.476   90.476
LGA    H    30_A      H    30_A     0.638     0    0.009   0.105     0.668   90.476   94.286
LGA    F    31_A      F    31_A     0.785     0    0.037   0.143     0.887   90.476   90.476
LGA    A    32_A      A    32_A     0.674     0    0.033   0.048     0.722   90.476   90.476
LGA    V    33_A      V    33_A     0.527     0    0.079   0.787     2.186   90.476   86.871
LGA    S    34_A      S    34_A     0.696     0    0.042   0.043     0.806   90.476   90.476
LGA    K    35_A      K    35_A     0.535     0    0.064   0.205     2.138   95.238   86.772
LGA    Q    36_A      Q    36_A     0.663     0    0.154   0.290     1.966   90.476   84.550
LGA    V    37_A      V    37_A     1.180     0    0.013   0.056     1.554   79.286   78.980
LGA    E    38_A      E    38_A     2.091     0    0.033   1.114     5.897   70.833   52.169
LGA    G    39_A      G    39_A     1.363     0    0.040   0.040     1.604   83.810   83.810
LGA    R    40_A      R    40_A     0.620     0    0.015   1.014     3.557   90.476   83.030
LGA    E    41_A      E    41_A     0.693     0    0.054   0.695     2.118   90.476   87.619
LGA    F    42_A      F    42_A     0.657     0    0.011   0.067     0.933   92.857   91.342
LGA    F    43_A      F    43_A     0.608     0    0.062   0.139     0.799   95.238   92.208
LGA    D    44_A      D    44_A     0.218     0    0.037   0.083     0.436  100.000  100.000
LGA    T    45_A      T    45_A     0.172     0    0.051   0.086     0.245  100.000  100.000
LGA    V    46_A      V    46_A     0.474     0    0.017   0.060     0.680  100.000   95.918
LGA    L    47_A      L    47_A     0.414     0    0.026   0.087     0.513   97.619   98.810
LGA    E    48_A      E    48_A     0.421     0    0.046   0.634     1.847  100.000   93.862
LGA    V    49_A      V    49_A     0.524     0    0.054   0.086     0.789   92.857   91.837
LGA    T    50_A      T    50_A     0.415     0    0.009   0.080     0.597  100.000   98.639
LGA    D    51_A      D    51_A     0.338     0    0.021   0.967     4.220  100.000   86.429
LGA    V    52_A      V    52_A     0.296     0    0.031   0.054     0.522  100.000   98.639
LGA    E    53_A      E    53_A     0.220     0    0.049   0.967     3.733  100.000   87.672
LGA    T    54_A      T    54_A     0.336     0    0.069   0.098     0.596   97.619   95.918
LGA    Q    55_A      Q    55_A     0.336     0    0.061   0.377     1.562   95.238   94.868
LGA    V    56_A      V    56_A     1.068     0    0.026   0.055     1.419   85.952   84.014
LGA    V    57_A      V    57_A     1.306     0    0.321   1.153     4.727   62.857   65.374
LGA    A    58_A      A    58_A     2.341     0    0.033   0.047     3.079   67.024   63.619
LGA    G    59_A      G    59_A     0.967     0    0.013   0.013     1.506   83.810   83.810
LGA    T    60_A      T    60_A     0.565     0    0.059   0.086     0.924   92.857   91.837
LGA    N    61_A      N    61_A     0.735     0    0.054   0.483     2.105   92.857   87.321
LGA    Y    62_A      Y    62_A     0.485     0    0.030   0.070     0.650   92.857   91.270
LGA    R    63_A      R    63_A     0.385     0    0.011   0.659     1.973  100.000   89.264
LGA    I    64_A      I    64_A     0.357     0    0.035   0.075     0.674  100.000   96.429
LGA    T    65_A      T    65_A     0.284     0    0.050   0.080     0.438  100.000  100.000
LGA    F    66_A      F    66_A     0.412     0    0.030   0.146     0.741  100.000   97.403
LGA    K    67_A      K    67_A     0.304     0    0.018   0.099     0.612  100.000   97.884
LGA    I    68_A      I    68_A     0.434     0    0.033   0.042     0.517  100.000   98.810
LGA    A    69_A      A    69_A     0.201     0    0.023   0.035     0.305  100.000  100.000
LGA    E    70_A      E    70_A     0.332     0    0.023   0.265     1.394  100.000   94.762
LGA    S    71_A      S    71_A     0.491     0    0.015   0.094     0.816   95.238   93.651
LGA    T    72_A      T    72_A     0.695     0    0.040   0.068     0.817   90.476   90.476
LGA    C    73_A      C    73_A     0.731     0    0.026   0.069     0.815   90.476   90.476
LGA    R    74_A      R    74_A     0.717     0    0.040   0.796     3.202   90.476   83.506
LGA    V    75_A      V    75_A     0.651     0    0.046   0.058     0.791   90.476   90.476
LGA    T    76_A      T    76_A     0.935     0    0.082   0.151     1.933   92.857   86.735
LGA    E    77_A      E    77_A     0.685     0    0.050   0.238     1.173   90.476   90.529
LGA    T    78_A      T    78_A     0.617     0    0.039   0.089     0.906   95.238   93.197
LGA    Y    79_A      Y    79_A     0.439     0    0.061   0.149     0.768   97.619   96.032
LGA    S    80_A      S    80_A     0.317     0    0.081   0.607     2.380  100.000   94.127
LGA    K    81_A      K    81_A     0.778     0    0.039   0.687     4.837   88.214   68.783
LGA    E    82_A      E    82_A     1.109     0    0.069   0.902     3.736   83.690   73.545
LGA    T    83_A      T    83_A     0.917     0    0.053   0.066     1.153   88.214   86.599
LGA    C    84_A      C    84_A     0.378     0    0.114   0.108     0.730  100.000   98.413
LGA    L    85_A      L    85_A     0.809     0    0.033   0.119     1.930   90.476   82.738
LGA    P    86_A      P    86_A     0.485     0    0.039   0.277     0.925   92.857   91.837
LGA    K    87_A      K    87_A     0.699     0    0.040   0.100     1.034   88.214   89.471
LGA    T    88_A      T    88_A     0.629     0    0.045   0.058     0.753   90.476   91.837
LGA    R    89_A      R    89_A     0.767     6    0.043   0.042     0.910   90.476   41.126
LGA    D    90_A      D    90_A     0.587     0    0.038   0.368     1.877   95.238   89.524
LGA    V    91_A      V    91_A     0.444     0    0.035   0.040     0.585   97.619   97.279
LGA    K    92_A      K    92_A     0.121     0    0.039   0.170     1.583  100.000   93.862
LGA    S    93_A      S    93_A     0.394     0    0.055   0.686     1.990  100.000   93.889
LGA    T    94_A      T    94_A     0.294     0    0.037   0.053     0.302  100.000  100.000
LGA    C    95_A      C    95_A     0.322     0    0.036   0.039     0.378  100.000  100.000
LGA    T    96_A      T    96_A     0.282     0    0.021   0.062     0.481  100.000  100.000
LGA    A    97_A      A    97_A     0.259     0    0.022   0.026     0.450  100.000  100.000
LGA    V    98_A      V    98_A     0.860     0    0.057   0.063     1.288   88.214   85.306
LGA    I    99_A      I    99_A     0.921     0    0.025   0.082     1.106   90.476   88.214
LGA    T   100_A      T   100_A     0.684     0    0.005   0.047     0.912   90.476   90.476
LGA    E   101_A      E   101_A     0.584     0    0.023   0.500     1.588   90.476   86.508
LGA    P   102_A      P   102_A     0.684     0    0.015   0.375     0.851   92.857   91.837
LGA    L   103_A      L   103_A     0.411     0    0.122   1.377     3.038  100.000   83.810
LGA    N   104_A      N   104_A     1.314     0    0.202   0.175     4.559   68.095   58.512
LGA    N   105_A      N   105_A     4.685     0    0.727   0.546    10.043   45.357   24.881
LGA    E   106_A      E   106_A     1.209     0    0.148   1.022     6.441   77.262   60.476
LGA    R   107_A      R   107_A     1.107     0    0.141   1.152     4.583   81.429   73.203
LGA    F   108_A      F   108_A     1.494     0    0.153   1.283     4.843   81.429   67.229
LGA    V   109_A      V   109_A     0.878     0    0.064   0.068     0.956   90.476   91.837
LGA    H   110_A      H   110_A     1.132     0    0.089   1.250     5.002   81.429   68.095
LGA    S   111_A      S   111_A     0.768     0    0.062   0.593     2.530   90.476   84.921
LGA    F   112_A      F   112_A     0.239     0    0.043   0.178     0.911  100.000   96.537
LGA    T   113_A      T   113_A     0.278     0    0.138   1.191     2.787   97.619   87.483
LGA    C   114_A      C   114_A     0.523     0    0.131   0.144     0.856   92.857   92.063
LGA    G   115_A      G   115_A     0.589     0    0.601   0.601     3.332   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):     1.132          1.140                  1.627           89.636   85.003

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    102    1.04    93.689    96.917     8.925

LGA_LOCAL      RMSD:   1.043  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.133  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.132  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.653802 * X  +   0.202959 * Y  +   0.728938 * Z  + -29.351736
  Y_new =   0.719986 * X  +  -0.129436 * Y  +   0.681811 * Z  +  31.746136
  Z_new =   0.232731 * X  +   0.970595 * Y  +  -0.061502 * Z  +  -0.212991 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.308055 -0.234885  1.634077   [DEG:  132.2418  -13.4579   93.6257 ]
ZXZ:  2.322802  1.632337  0.235339   [DEG:  133.0867   93.5260   13.4839 ]
 
# END of job
