
#######################################################
#                                                     #
#                        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  120 (  930),  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       1.10     1.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       1.10     1.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      21_A - 115_A       0.96     1.10
  LCS_AVERAGE:     91.14

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     18   59   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A     91  103  103     27   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A     91  103  103     47   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A     91  103  103     48   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A     91  103  103     47   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A     91  103  103     14   69   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A     91  103  103      3    3    4   20   27   45   89  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A     91  103  103      4    4   21   33   76  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A     95  103  103      4    8   17   58   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     95  103  103     43   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A     95  103  103     46   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A     95  103  103     46   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A     95  103  103     43   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A     95  103  103     37   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A     95  103  103     33   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A     95  103  103     20   57   94   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A     95  103  103     33   82   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A     95  103  103     33   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A     95  103  103     45   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A     95  103  103     45   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A     95  103  103     45   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A     95  103  103     47   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A     95  103  103     47   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A     95  103  103     14   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A     95  103  103     19   65   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A     95  103  103      4   35   64   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A     95  103  103     16   76   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A     95  103  103     45   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A     95  103  103     45   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A     95  103  103     45   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     95  103  103     33   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A     95  103  103     33   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A     95  103  103     32   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A     95  103  103     32   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A     95  103  103     32   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A     95  103  103     45   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     95  103  103     11   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A     95  103  103     11   82   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A     95  103  103     33   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A     95  103  103     45   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A     95  103  103     43   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A     95  103  103     49   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A     95  103  103     43   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A     95  103  103     42   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A     95  103  103     33   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A     95  103  103     30   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A     95  103  103     38   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A     95  103  103      9   19   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A     95  103  103      3    3    5    8   11   47   98  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     95  103  103     11   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A     95  103  103      3   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A     95  103  103     28   77   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A     95  103  103     49   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A     95  103  103     50   83   97   98   99  101  101  102  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  97.05  (  91.14  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     50     83     97     98     99    101    101    102    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  48.54  80.58  94.17  95.15  96.12  98.06  98.06  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.58   0.74   0.76   0.80   0.90   0.90   1.00   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10
GDT RMS_ALL_AT   1.25   1.17   1.11   1.11   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10

# 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:  E    41_A      E    41_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  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:  E   101_A      E   101_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     1.654     0    0.124   0.124     1.674   77.143   77.143
LGA    W    14_A      W    14_A     0.830     0    0.004   0.046     1.195   88.214   88.537
LGA    Q    15_A      Q    15_A     0.522     0    0.033   1.080     2.775   95.238   86.931
LGA    K    16_A      K    16_A     0.137     0    0.038   0.235     1.872  100.000   91.905
LGA    K    17_A      K    17_A     0.377     0    0.066   0.649     1.898   95.238   90.794
LGA    T    18_A      T    18_A     1.291     0    0.135   0.954     4.146   64.762   62.857
LGA    P    19_A      P    19_A     4.404     0    0.663   0.605     7.305   43.690   31.293
LGA    V    20_A      V    20_A     3.123     0    0.603   0.980     7.283   52.500   42.109
LGA    D    21_A      D    21_A     2.865     0    0.045   1.046     3.500   60.952   59.167
LGA    N    22_A      N    22_A     1.119     0    0.103   0.179     1.670   85.952   83.750
LGA    E    23_A      E    23_A     1.116     0    0.045   0.881     5.008   81.429   62.116
LGA    Q    24_A      Q    24_A     1.181     0    0.025   0.091     1.223   83.690   82.434
LGA    Y    25_A      Y    25_A     0.603     0    0.058   0.091     0.889   90.476   91.270
LGA    K    26_A      K    26_A     0.700     0    0.021   0.892     3.420   90.476   76.667
LGA    E    27_A      E    27_A     0.842     0    0.033   1.302     5.098   90.476   74.921
LGA    L    28_A      L    28_A     0.747     0    0.024   0.086     0.904   90.476   90.476
LGA    A    29_A      A    29_A     0.537     0    0.041   0.052     0.653   90.476   92.381
LGA    H    30_A      H    30_A     0.558     0    0.013   0.112     0.601   90.476   94.286
LGA    F    31_A      F    31_A     0.689     0    0.055   0.091     0.787   90.476   90.476
LGA    A    32_A      A    32_A     0.628     0    0.036   0.038     0.819   90.476   90.476
LGA    V    33_A      V    33_A     0.726     0    0.069   0.163     1.015   88.214   89.184
LGA    S    34_A      S    34_A     0.973     0    0.041   0.054     1.083   88.214   87.460
LGA    K    35_A      K    35_A     0.521     0    0.066   0.191     1.448   90.476   88.466
LGA    Q    36_A      Q    36_A     0.831     0    0.090   0.112     1.166   90.476   85.450
LGA    V    37_A      V    37_A     0.956     0    0.012   0.068     1.349   85.952   86.599
LGA    E    38_A      E    38_A     1.766     0    0.036   1.008     4.686   79.286   62.646
LGA    G    39_A      G    39_A     1.221     0    0.021   0.021     1.424   85.952   85.952
LGA    R    40_A      R    40_A     0.803     0    0.021   0.070     1.225   88.214   88.831
LGA    E    41_A      E    41_A     0.839     0    0.058   0.283     1.111   90.476   85.450
LGA    F    42_A      F    42_A     0.705     0    0.050   0.057     0.807   90.476   90.476
LGA    F    43_A      F    43_A     0.597     0    0.035   0.140     0.765   95.238   92.208
LGA    D    44_A      D    44_A     0.383     0    0.047   0.121     0.776  100.000   96.429
LGA    T    45_A      T    45_A     0.297     0    0.041   0.091     0.319  100.000  100.000
LGA    V    46_A      V    46_A     0.316     0    0.030   0.044     0.435  100.000  100.000
LGA    L    47_A      L    47_A     0.267     0    0.024   0.042     0.419  100.000  100.000
LGA    E    48_A      E    48_A     0.359     0    0.021   0.223     0.840  100.000   98.942
LGA    V    49_A      V    49_A     0.488     0    0.018   0.060     0.704   97.619   94.558
LGA    T    50_A      T    50_A     0.358     0    0.012   0.116     0.609  100.000   98.639
LGA    D    51_A      D    51_A     0.151     0    0.027   0.913     4.154  100.000   84.345
LGA    V    52_A      V    52_A     0.058     0    0.030   0.080     0.402  100.000  100.000
LGA    E    53_A      E    53_A     0.163     0    0.044   0.951     4.002  100.000   87.937
LGA    T    54_A      T    54_A     0.411     0    0.048   0.060     0.560  100.000   95.918
LGA    Q    55_A      Q    55_A     0.340     0    0.040   0.421     1.751   95.238   93.810
LGA    V    56_A      V    56_A     1.103     0    0.026   0.063     1.483   88.214   85.306
LGA    V    57_A      V    57_A     1.392     0    0.320   1.147     4.791   62.857   63.265
LGA    A    58_A      A    58_A     2.501     0    0.070   0.070     3.254   64.881   61.905
LGA    G    59_A      G    59_A     1.240     0    0.048   0.048     1.783   81.548   81.548
LGA    T    60_A      T    60_A     0.529     0    0.041   0.119     1.103   92.857   89.252
LGA    N    61_A      N    61_A     0.713     0    0.044   0.507     2.152   92.857   86.190
LGA    Y    62_A      Y    62_A     0.495     0    0.037   0.073     0.591   92.857   96.032
LGA    R    63_A      R    63_A     0.564     0    0.025   0.991     2.721   95.238   86.840
LGA    I    64_A      I    64_A     0.481     0    0.027   0.070     0.664   97.619   94.048
LGA    T    65_A      T    65_A     0.347     0    0.017   0.080     0.396  100.000  100.000
LGA    F    66_A      F    66_A     0.427     0    0.025   0.059     0.552  100.000   97.403
LGA    K    67_A      K    67_A     0.331     0    0.014   0.129     0.473  100.000  100.000
LGA    I    68_A      I    68_A     0.324     0    0.022   0.048     0.365  100.000  100.000
LGA    A    69_A      A    69_A     0.204     0    0.038   0.049     0.230  100.000  100.000
LGA    E    70_A      E    70_A     0.233     0    0.016   0.249     0.771  100.000   97.884
LGA    S    71_A      S    71_A     0.331     0    0.017   0.067     0.616   95.238   96.825
LGA    T    72_A      T    72_A     0.694     0    0.040   0.074     0.754   90.476   90.476
LGA    C    73_A      C    73_A     0.692     0    0.026   0.058     0.734   90.476   90.476
LGA    R    74_A      R    74_A     0.869     0    0.020   0.242     1.190   90.476   88.831
LGA    V    75_A      V    75_A     0.786     0    0.079   1.209     2.416   90.476   83.129
LGA    T    76_A      T    76_A     0.934     0    0.085   0.119     1.648   92.857   86.735
LGA    E    77_A      E    77_A     0.789     0    0.039   0.666     2.257   90.476   87.619
LGA    T    78_A      T    78_A     0.825     0    0.063   0.116     1.161   90.476   89.184
LGA    Y    79_A      Y    79_A     0.494     0    0.053   0.145     0.830   97.619   95.238
LGA    S    80_A      S    80_A     0.322     0    0.068   0.492     0.962  100.000   96.825
LGA    K    81_A      K    81_A     0.860     0    0.015   0.674     3.820   85.952   71.270
LGA    E    82_A      E    82_A     1.380     0    0.098   1.351     5.507   79.286   62.751
LGA    T    83_A      T    83_A     1.137     0    0.038   0.096     1.426   81.429   82.721
LGA    C    84_A      C    84_A     0.582     0    0.105   0.112     0.819   95.238   95.238
LGA    L    85_A      L    85_A     0.738     0    0.048   0.091     1.290   90.476   87.083
LGA    P    86_A      P    86_A     0.509     0    0.030   0.267     0.834   90.476   91.837
LGA    K    87_A      K    87_A     0.667     0    0.016   0.061     0.871   90.476   90.476
LGA    T    88_A      T    88_A     0.669     0    0.017   0.307     1.106   90.476   89.184
LGA    R    89_A      R    89_A     0.819     6    0.009   0.012     0.899   90.476   41.126
LGA    D    90_A      D    90_A     0.906     0    0.033   0.286     1.986   90.476   82.738
LGA    V    91_A      V    91_A     0.495     0    0.037   0.046     0.655   97.619   94.558
LGA    K    92_A      K    92_A     0.188     0    0.042   0.129     1.177  100.000   96.878
LGA    S    93_A      S    93_A     0.368     0    0.066   0.606     1.552  100.000   93.889
LGA    T    94_A      T    94_A     0.194     0    0.044   0.118     0.286  100.000  100.000
LGA    C    95_A      C    95_A     0.222     0    0.032   0.046     0.369  100.000  100.000
LGA    T    96_A      T    96_A     0.446     0    0.013   0.060     0.654  100.000   95.918
LGA    A    97_A      A    97_A     0.503     0    0.009   0.025     0.558   90.476   92.381
LGA    V    98_A      V    98_A     0.910     0    0.043   0.055     1.105   88.214   87.891
LGA    I    99_A      I    99_A     0.858     0    0.028   0.094     1.155   90.476   89.345
LGA    T   100_A      T   100_A     0.563     0    0.018   0.043     1.044   92.857   90.544
LGA    E   101_A      E   101_A     0.631     0    0.052   0.519     1.594   90.476   88.571
LGA    P   102_A      P   102_A     0.850     0    0.048   0.348     0.987   90.476   90.476
LGA    L   103_A      L   103_A     0.667     0    0.165   1.389     3.045   90.476   80.119
LGA    N   104_A      N   104_A     1.442     0    0.212   1.224     5.884   65.833   49.345
LGA    N   105_A      N   105_A     4.839     0    0.694   0.548    10.092   43.690   23.274
LGA    E   106_A      E   106_A     1.136     0    0.097   1.082     5.859   77.262   62.381
LGA    R   107_A      R   107_A     0.978     0    0.109   1.143     4.336   88.214   78.485
LGA    F   108_A      F   108_A     1.302     0    0.112   1.284     4.789   83.690   68.788
LGA    V   109_A      V   109_A     0.905     0    0.031   0.055     0.984   90.476   90.476
LGA    H   110_A      H   110_A     1.129     0    0.076   1.189     4.926   81.429   67.952
LGA    S   111_A      S   111_A     0.858     0    0.029   0.044     0.953   90.476   90.476
LGA    F   112_A      F   112_A     0.421     0    0.024   0.102     0.717   97.619   95.671
LGA    T   113_A      T   113_A     0.482     0    0.066   1.175     2.695  100.000   87.483
LGA    C   114_A      C   114_A     0.247     0    0.084   0.130     0.569   97.619   98.413
LGA    G   115_A      G   115_A     0.074     0    0.696   0.696     3.052   82.857   82.857

# 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):     1.096          1.109                  1.609           89.621   85.329

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  120  103    4.0    102    1.00    93.689    97.156     9.312

LGA_LOCAL      RMSD:   0.995  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.099  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   1.096  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.575219 * X  +  -0.369972 * Y  +   0.729551 * Z  + -28.494293
  Y_new =   0.443785 * X  +   0.608061 * Y  +   0.658267 * Z  +  31.390255
  Z_new =  -0.687152 * X  +   0.702412 * Y  +  -0.185580 * Z  +   1.550159 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.484469  0.757562  1.829099   [DEG:  142.3496   43.4051  104.7996 ]
ZXZ:  2.304876  1.757459 -0.774417   [DEG:  132.0597  100.6950  -44.3708 ]
 
# END of job
