
#######################################################
#                                                     #
#                        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       0.85     0.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.85     0.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.85     0.85
  LCS_AVERAGE:    100.00

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    103  103  103     18   73  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A    103  103  103     49   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A    103  103  103     38   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A    103  103  103     55   89  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A    103  103  103     37   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A    103  103  103     34   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A    103  103  103     22   61   97  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A    103  103  103     34   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A    103  103  103     36   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A    103  103  103     37   88  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A    103  103  103     21   85  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A    103  103  103      3   45   68  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A    103  103  103     15   78  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A    103  103  103     54   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A    103  103  103     34   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A    103  103  103     33   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A    103  103  103     33   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A    103  103  103     33   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A    103  103  103     10   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A    103  103  103     10   61  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A    103  103  103     10   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A    103  103  103     51   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A    103  103  103     34   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A    103  103  103     26   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A    103  103  103     48   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A    103  103  103     36   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A    103  103  103     33   89  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A    103  103  103     41   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A    103  103  103     10   21  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   105_A     N   105_A    103  103  103      3    3    5    9   18   90  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A    103  103  103     17   88  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R   107_A     R   107_A    103  103  103      3   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A    103  103  103     36   85  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A    103  103  103     55   90  100  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     55     90    100    102    102    102    103    103    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  53.40  87.38  97.09  99.03  99.03  99.03 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.57   0.67   0.73   0.73   0.73   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85
GDT RMS_ALL_AT   1.10   0.90   0.86   0.86   0.86   0.86   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85

# Checking swapping
#   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:  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     1.396     0    0.124   0.124     1.444   85.952   85.952
LGA    W    14_A      W    14_A     0.648     0    0.006   0.050     0.980   90.476   90.476
LGA    Q    15_A      Q    15_A     0.362     0    0.022   1.073     2.519  100.000   89.206
LGA    K    16_A      K    16_A     0.212     0    0.040   0.757     4.004  100.000   81.323
LGA    K    17_A      K    17_A     0.271     0    0.036   0.566     1.722  100.000   93.862
LGA    T    18_A      T    18_A     0.337     0    0.060   0.078     0.675  100.000   95.918
LGA    P    19_A      P    19_A     0.736     0    0.015   0.063     1.173   90.476   87.891
LGA    V    20_A      V    20_A     0.676     0    0.017   0.054     0.857   90.476   93.197
LGA    D    21_A      D    21_A     1.112     0    0.024   0.119     1.287   81.429   81.429
LGA    N    22_A      N    22_A     1.061     0    0.056   0.946     2.719   81.429   79.524
LGA    E    23_A      E    23_A     1.231     0    0.088   0.912     4.857   81.429   62.698
LGA    Q    24_A      Q    24_A     1.104     0    0.037   0.070     1.221   85.952   87.460
LGA    Y    25_A      Y    25_A     0.602     0    0.055   0.074     0.861   90.476   90.476
LGA    K    26_A      K    26_A     0.714     0    0.034   0.855     3.248   90.476   77.619
LGA    E    27_A      E    27_A     0.851     0    0.033   1.430     5.613   90.476   73.598
LGA    L    28_A      L    28_A     0.681     0    0.028   0.119     0.935   90.476   90.476
LGA    A    29_A      A    29_A     0.514     0    0.038   0.053     0.615   90.476   92.381
LGA    H    30_A      H    30_A     0.560     0    0.012   0.079     0.590   90.476   93.333
LGA    F    31_A      F    31_A     0.704     0    0.054   0.093     0.799   90.476   90.476
LGA    A    32_A      A    32_A     0.633     0    0.031   0.038     0.786   90.476   90.476
LGA    V    33_A      V    33_A     0.653     0    0.066   0.127     0.945   90.476   90.476
LGA    S    34_A      S    34_A     0.903     0    0.046   0.058     1.069   88.214   88.968
LGA    K    35_A      K    35_A     0.562     0    0.059   0.177     1.468   90.476   88.466
LGA    Q    36_A      Q    36_A     0.875     0    0.064   0.112     1.057   90.476   85.450
LGA    V    37_A      V    37_A     0.974     0    0.011   0.063     1.330   85.952   87.891
LGA    E    38_A      E    38_A     1.724     0    0.036   1.008     4.677   79.286   62.646
LGA    G    39_A      G    39_A     1.066     0    0.016   0.016     1.302   85.952   85.952
LGA    R    40_A      R    40_A     0.769     0    0.009   0.119     0.953   90.476   90.476
LGA    E    41_A      E    41_A     0.800     0    0.041   0.279     1.055   90.476   89.471
LGA    F    42_A      F    42_A     0.647     0    0.057   0.063     0.824   90.476   90.476
LGA    F    43_A      F    43_A     0.575     0    0.038   0.135     0.765   95.238   92.208
LGA    D    44_A      D    44_A     0.384     0    0.047   0.102     0.703  100.000   96.429
LGA    T    45_A      T    45_A     0.317     0    0.037   0.091     0.339  100.000  100.000
LGA    V    46_A      V    46_A     0.315     0    0.028   0.054     0.407  100.000  100.000
LGA    L    47_A      L    47_A     0.292     0    0.047   0.054     0.638   97.619   98.810
LGA    E    48_A      E    48_A     0.531     0    0.037   0.798     2.043   97.619   86.825
LGA    V    49_A      V    49_A     0.441     0    0.036   0.094     0.570  100.000   98.639
LGA    T    50_A      T    50_A     0.302     0    0.012   0.110     0.610  100.000   98.639
LGA    D    51_A      D    51_A     0.065     0    0.034   0.852     3.974  100.000   84.107
LGA    V    52_A      V    52_A     0.105     0    0.043   0.065     0.278  100.000  100.000
LGA    E    53_A      E    53_A     0.114     0    0.037   0.926     3.864  100.000   88.624
LGA    T    54_A      T    54_A     0.284     0    0.033   0.059     0.480  100.000  100.000
LGA    Q    55_A      Q    55_A     0.305     0    0.039   0.467     1.782   97.619   94.868
LGA    V    56_A      V    56_A     1.007     0    0.028   0.056     1.522   90.595   84.218
LGA    V    57_A      V    57_A     1.097     0    0.318   1.142     4.583   64.762   66.531
LGA    A    58_A      A    58_A     2.289     0    0.068   0.070     3.040   68.929   65.143
LGA    G    59_A      G    59_A     1.175     0    0.053   0.053     1.643   83.810   83.810
LGA    T    60_A      T    60_A     0.537     0    0.047   0.138     1.071   92.857   89.252
LGA    N    61_A      N    61_A     0.704     0    0.043   0.533     2.267   92.857   87.321
LGA    Y    62_A      Y    62_A     0.468     0    0.032   0.078     0.566   92.857   94.444
LGA    R    63_A      R    63_A     0.499     0    0.018   0.987     2.646   97.619   87.706
LGA    I    64_A      I    64_A     0.380     0    0.025   0.077     0.598  100.000   97.619
LGA    T    65_A      T    65_A     0.245     0    0.016   0.057     0.296  100.000  100.000
LGA    F    66_A      F    66_A     0.372     0    0.022   0.054     0.442  100.000  100.000
LGA    K    67_A      K    67_A     0.296     0    0.017   0.113     0.416  100.000  100.000
LGA    I    68_A      I    68_A     0.248     0    0.021   0.049     0.268  100.000  100.000
LGA    A    69_A      A    69_A     0.148     0    0.034   0.046     0.178  100.000  100.000
LGA    E    70_A      E    70_A     0.226     0    0.018   0.285     0.756  100.000   97.884
LGA    S    71_A      S    71_A     0.266     0    0.020   0.052     0.539   97.619   98.413
LGA    T    72_A      T    72_A     0.587     0    0.044   0.090     0.643   90.476   90.476
LGA    C    73_A      C    73_A     0.606     0    0.031   0.056     0.662   90.476   90.476
LGA    R    74_A      R    74_A     0.782     0    0.024   0.256     1.067   90.476   88.831
LGA    V    75_A      V    75_A     0.741     0    0.038   0.058     1.119   90.476   89.184
LGA    T    76_A      T    76_A     0.850     0    0.078   0.112     1.526   92.857   86.735
LGA    E    77_A      E    77_A     0.752     0    0.039   0.647     2.338   90.476   87.619
LGA    T    78_A      T    78_A     0.833     0    0.059   0.100     1.083   90.476   89.184
LGA    Y    79_A      Y    79_A     0.549     0    0.056   0.139     0.904   95.238   92.063
LGA    S    80_A      S    80_A     0.289     0    0.059   0.424     0.763  100.000   96.825
LGA    K    81_A      K    81_A     0.795     0    0.028   0.345     2.033   90.476   82.646
LGA    E    82_A      E    82_A     1.219     0    0.063   1.361     5.570   83.690   65.661
LGA    T    83_A      T    83_A     0.988     0    0.052   0.073     1.296   88.214   86.599
LGA    C    84_A      C    84_A     0.481     0    0.103   0.112     0.779   97.619   96.825
LGA    L    85_A      L    85_A     0.652     0    0.036   0.078     1.168   90.476   88.214
LGA    P    86_A      P    86_A     0.470     0    0.013   0.273     0.762   92.857   93.197
LGA    K    87_A      K    87_A     0.613     0    0.018   0.060     0.834   90.476   90.476
LGA    T    88_A      T    88_A     0.651     0    0.012   0.164     0.772   90.476   90.476
LGA    R    89_A      R    89_A     0.830     6    0.010   0.014     0.925   90.476   41.126
LGA    D    90_A      D    90_A     0.887     0    0.034   0.290     2.048   90.476   81.726
LGA    V    91_A      V    91_A     0.417     0    0.032   0.055     0.533   97.619   98.639
LGA    K    92_A      K    92_A     0.199     0    0.039   0.124     1.261  100.000   95.820
LGA    S    93_A      S    93_A     0.307     0    0.071   0.676     1.738  100.000   93.889
LGA    T    94_A      T    94_A     0.081     0    0.031   0.104     0.275  100.000  100.000
LGA    C    95_A      C    95_A     0.098     0    0.035   0.059     0.261  100.000  100.000
LGA    T    96_A      T    96_A     0.343     0    0.013   0.045     0.418  100.000  100.000
LGA    A    97_A      A    97_A     0.435     0    0.011   0.024     0.468  100.000  100.000
LGA    V    98_A      V    98_A     0.861     0    0.041   0.056     1.050   90.476   89.184
LGA    I    99_A      I    99_A     0.821     0    0.036   0.087     1.095   90.476   89.345
LGA    T   100_A      T   100_A     0.530     0    0.012   0.051     0.930   92.857   91.837
LGA    E   101_A      E   101_A     0.591     0    0.041   0.224     0.941   90.476   91.534
LGA    P   102_A      P   102_A     0.765     0    0.041   0.380     0.929   95.238   93.197
LGA    L   103_A      L   103_A     0.452     0    0.160   1.394     3.011   97.619   82.619
LGA    N   104_A      N   104_A     1.177     0    0.195   1.230     6.063   71.667   51.726
LGA    N   105_A      N   105_A     4.419     0    0.716   0.559     9.543   50.357   27.679
LGA    E   106_A      E   106_A     0.931     0    0.083   1.077     5.841   81.786   65.344
LGA    R   107_A      R   107_A     0.899     0    0.100   1.159     4.182   88.214   77.662
LGA    F   108_A      F   108_A     1.302     0    0.101   1.289     4.715   83.690   70.303
LGA    V   109_A      V   109_A     0.880     0    0.042   0.080     0.968   90.476   90.476
LGA    H   110_A      H   110_A     1.096     0    0.076   1.174     4.839   81.429   69.476
LGA    S   111_A      S   111_A     0.867     0    0.041   0.056     0.940   90.476   90.476
LGA    F   112_A      F   112_A     0.366     0    0.035   0.111     0.597  100.000   98.268
LGA    T   113_A      T   113_A     0.431     0    0.096   1.190     2.783   97.619   86.122
LGA    C   114_A      C   114_A     0.095     0    0.087   0.119     0.527   97.619   98.413
LGA    G   115_A      G   115_A     0.194     0    0.685   0.685     3.302   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):     0.853          0.869                  1.390           91.950   87.794

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  120  103    4.0    103    0.85    96.602    98.595    10.806

LGA_LOCAL      RMSD:   0.853  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.853  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   0.853  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.497791 * X  +  -0.389514 * Y  +   0.774909 * Z  + -28.582312
  Y_new =   0.319040 * X  +   0.748588 * Y  +   0.581231 * Z  +  30.804806
  Z_new =  -0.806485 * X  +   0.536558 * Y  +  -0.248370 * Z  +   2.144336 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.571632  0.938182  2.004321   [DEG:  147.3437   53.7539  114.8391 ]
ZXZ:  2.214338  1.821793 -0.983737   [DEG:  126.8722  104.3811  -56.3640 ]
 
# END of job
