
#######################################################
#                                                     #
#                        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       0.86     0.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.86     0.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.86     0.86
  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   80  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     W    14_A     W    14_A    103  103  103     43   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    15_A     Q    15_A    103  103  103     57   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    16_A     K    16_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    17_A     K    17_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    18_A     T    18_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    19_A     P    19_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    20_A     V    20_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    21_A     D    21_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A    103  103  103     42   88  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    23_A     E    23_A    103  103  103     44   88  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    24_A     Q    24_A    103  103  103     44   88  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    25_A     Y    25_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    26_A     K    26_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    27_A     E    27_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    28_A     L    28_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    29_A     A    29_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H    30_A     H    30_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    31_A     F    31_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    32_A     A    32_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    33_A     V    33_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    34_A     S    34_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    36_A     Q    36_A    103  103  103     58   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    37_A     V    37_A    103  103  103     15   87  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    38_A     E    38_A    103  103  103      6   41   93  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    39_A     G    39_A    103  103  103     15   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    40_A     R    40_A    103  103  103     52   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    41_A     E    41_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    42_A     F    42_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    43_A     F    43_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    44_A     D    44_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    45_A     T    45_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    46_A     V    46_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    47_A     L    47_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    48_A     E    48_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    49_A     V    49_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    50_A     T    50_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    51_A     D    51_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    52_A     V    52_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    53_A     E    53_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    54_A     T    54_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Q    55_A     Q    55_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    56_A     V    56_A    103  103  103     11   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    57_A     V    57_A    103  103  103     18   80  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    58_A     A    58_A    103  103  103      4   37   64  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G    59_A     G    59_A    103  103  103     18   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    60_A     T    60_A    103  103  103     53   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N    61_A     N    61_A    103  103  103     48   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    62_A     Y    62_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    63_A     R    63_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    64_A     I    64_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    65_A     T    65_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F    66_A     F    66_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    67_A     K    67_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    68_A     I    68_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    69_A     A    69_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    70_A     E    70_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    71_A     S    71_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    72_A     T    72_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    73_A     C    73_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    75_A     V    75_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    76_A     T    76_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    77_A     E    77_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    78_A     T    78_A    103  103  103     58   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     Y    79_A     Y    79_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    80_A     S    80_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A    103  103  103     25   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E    82_A     E    82_A    103  103  103     11   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    83_A     T    83_A    103  103  103     43   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    84_A     C    84_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L    85_A     L    85_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P    86_A     P    86_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    87_A     K    87_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    88_A     T    88_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     R    89_A     R    89_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     D    90_A     D    90_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    91_A     V    91_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     K    92_A     K    92_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S    93_A     S    93_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    94_A     T    94_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C    95_A     C    95_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     A    97_A     A    97_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V    98_A     V    98_A    103  103  103     45   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     I    99_A     I    99_A    103  103  103     45   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   100_A     T   100_A    103  103  103     54   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   101_A     E   101_A    103  103  103     53   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     P   102_A     P   102_A    103  103  103     32   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     L   103_A     L   103_A    103  103  103     53   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     N   104_A     N   104_A    103  103  103      3   17  100  102  102  102  102  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    4    6   45   54  100  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A    103  103  103      3   61  100  102  102  102  102  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   69  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   108_A     F   108_A    103  103  103     14   85  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     V   109_A     V   109_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     H   110_A     H   110_A    103  103  103     44   88  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     S   111_A     S   111_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     F   112_A     F   112_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     T   113_A     T   113_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     C   114_A     C   114_A    103  103  103     63   89  100  102  102  102  102  103  103  103  103  103  103  103  103  103  103  103  103  103 
LCS_GDT     G   115_A     G   115_A    103  103  103     63   89  100  102  102  102  102  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     63     89    100    102    102    102    102    103    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  61.17  86.41  97.09  99.03  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
GDT RMS_LOCAL    0.30   0.51   0.64   0.71   0.71   0.71   0.71   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86
GDT RMS_ALL_AT   1.02   0.88   0.88   0.87   0.87   0.87   0.87   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86   0.86

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  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:  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     1.240     0    0.161   0.161     1.356   85.952   85.952
LGA    W    14_A      W    14_A     0.594     0    0.011   0.051     1.009   90.476   90.510
LGA    Q    15_A      Q    15_A     0.319     0    0.029   1.064     2.267  100.000   92.169
LGA    K    16_A      K    16_A     0.146     0    0.018   0.217     1.609  100.000   91.799
LGA    K    17_A      K    17_A     0.201     0    0.032   0.581     1.731  100.000   93.862
LGA    T    18_A      T    18_A     0.126     0    0.094   0.135     0.530  100.000   98.639
LGA    P    19_A      P    19_A     0.569     0    0.034   0.044     0.939   92.857   91.837
LGA    V    20_A      V    20_A     0.567     0    0.057   0.085     0.799   90.476   94.558
LGA    D    21_A      D    21_A     0.827     0    0.308   1.150     4.893   86.071   71.667
LGA    N    22_A      N    22_A     1.215     0    0.035   0.131     1.249   81.429   81.429
LGA    E    23_A      E    23_A     1.301     0    0.111   0.517     2.891   81.429   70.635
LGA    Q    24_A      Q    24_A     1.350     0    0.027   0.309     1.801   81.429   80.476
LGA    Y    25_A      Y    25_A     0.800     0    0.053   0.067     1.031   88.214   89.722
LGA    K    26_A      K    26_A     0.806     0    0.024   0.865     2.980   90.476   78.254
LGA    E    27_A      E    27_A     0.912     0    0.028   1.153     3.999   90.476   76.032
LGA    L    28_A      L    28_A     0.858     0    0.036   0.124     1.188   90.476   89.345
LGA    A    29_A      A    29_A     0.635     0    0.047   0.063     0.740   90.476   90.476
LGA    H    30_A      H    30_A     0.705     0    0.015   0.082     0.725   90.476   92.381
LGA    F    31_A      F    31_A     0.761     0    0.017   0.089     0.863   90.476   90.476
LGA    A    32_A      A    32_A     0.711     0    0.037   0.048     0.755   90.476   90.476
LGA    V    33_A      V    33_A     0.542     0    0.094   0.754     2.099   90.476   86.871
LGA    S    34_A      S    34_A     0.742     0    0.025   0.032     0.784   90.476   90.476
LGA    K    35_A      K    35_A     0.558     0    0.067   0.168     1.776   90.476   86.508
LGA    Q    36_A      Q    36_A     0.798     0    0.094   0.113     1.033   90.476   89.471
LGA    V    37_A      V    37_A     1.095     0    0.025   0.059     1.384   83.690   84.014
LGA    E    38_A      E    38_A     1.872     0    0.037   1.096     5.249   77.143   57.513
LGA    G    39_A      G    39_A     1.082     0    0.053   0.053     1.343   88.333   88.333
LGA    R    40_A      R    40_A     0.610     0    0.012   0.939     2.787   90.476   86.623
LGA    E    41_A      E    41_A     0.671     0    0.057   0.675     1.887   92.857   88.571
LGA    F    42_A      F    42_A     0.441     0    0.027   0.068     0.697  100.000   95.671
LGA    F    43_A      F    43_A     0.435     0    0.025   0.105     0.556   97.619   95.671
LGA    D    44_A      D    44_A     0.145     0    0.035   0.091     0.338  100.000  100.000
LGA    T    45_A      T    45_A     0.103     0    0.061   0.096     0.303  100.000  100.000
LGA    V    46_A      V    46_A     0.311     0    0.020   0.077     0.525  100.000   98.639
LGA    L    47_A      L    47_A     0.386     0    0.030   0.043     0.691   95.238   97.619
LGA    E    48_A      E    48_A     0.618     0    0.038   0.555     1.590   95.238   88.624
LGA    V    49_A      V    49_A     0.440     0    0.017   0.074     0.598   97.619   94.558
LGA    T    50_A      T    50_A     0.225     0    0.021   0.093     0.498  100.000  100.000
LGA    D    51_A      D    51_A     0.078     0    0.015   0.948     4.307  100.000   84.345
LGA    V    52_A      V    52_A     0.116     0    0.037   0.038     0.291  100.000  100.000
LGA    E    53_A      E    53_A     0.117     0    0.038   0.941     3.810  100.000   88.624
LGA    T    54_A      T    54_A     0.132     0    0.065   0.107     0.319  100.000  100.000
LGA    Q    55_A      Q    55_A     0.246     0    0.061   0.495     2.028  100.000   95.026
LGA    V    56_A      V    56_A     0.933     0    0.024   0.057     1.274   90.476   86.599
LGA    V    57_A      V    57_A     1.261     0    0.329   1.163     4.687   62.857   65.374
LGA    A    58_A      A    58_A     2.246     0    0.056   0.067     3.023   70.952   66.762
LGA    G    59_A      G    59_A     0.932     0    0.013   0.013     1.459   85.952   85.952
LGA    T    60_A      T    60_A     0.520     0    0.054   0.081     0.937   92.857   91.837
LGA    N    61_A      N    61_A     0.719     0    0.054   0.482     2.108   92.857   88.452
LGA    Y    62_A      Y    62_A     0.503     0    0.024   0.104     0.743   90.476   90.476
LGA    R    63_A      R    63_A     0.456     0    0.021   0.962     2.673   97.619   89.307
LGA    I    64_A      I    64_A     0.307     0    0.025   0.080     0.651  100.000   97.619
LGA    T    65_A      T    65_A     0.183     0    0.069   0.072     0.243  100.000  100.000
LGA    F    66_A      F    66_A     0.356     0    0.022   0.120     0.590  100.000   98.268
LGA    K    67_A      K    67_A     0.266     0    0.012   0.166     0.791  100.000   97.884
LGA    I    68_A      I    68_A     0.169     0    0.023   0.038     0.242  100.000  100.000
LGA    A    69_A      A    69_A     0.168     0    0.028   0.045     0.194  100.000  100.000
LGA    E    70_A      E    70_A     0.220     0    0.000   0.367     0.990  100.000   97.884
LGA    S    71_A      S    71_A     0.264     0    0.018   0.048     0.410  100.000  100.000
LGA    T    72_A      T    72_A     0.420     0    0.019   0.048     0.487  100.000  100.000
LGA    C    73_A      C    73_A     0.436     0    0.021   0.061     0.564  100.000   98.413
LGA    R    74_A      R    74_A     0.443     0    0.029   0.793     3.167  100.000   91.169
LGA    V    75_A      V    75_A     0.434     0    0.034   0.036     0.562  100.000   98.639
LGA    T    76_A      T    76_A     0.496     0    0.066   0.150     1.193  100.000   94.626
LGA    E    77_A      E    77_A     0.541     0    0.036   0.090     0.651   95.238   93.651
LGA    T    78_A      T    78_A     0.628     0    0.058   0.085     0.958   95.238   93.197
LGA    Y    79_A      Y    79_A     0.377     0    0.042   0.134     0.686   97.619   94.444
LGA    S    80_A      S    80_A     0.082     0    0.009   0.237     0.594  100.000   98.413
LGA    K    81_A      K    81_A     0.697     0    0.027   0.716     4.202   92.857   72.963
LGA    E    82_A      E    82_A     0.978     0    0.078   1.366     5.486   88.214   69.153
LGA    T    83_A      T    83_A     0.670     0    0.054   0.064     0.911   90.476   90.476
LGA    C    84_A      C    84_A     0.263     0    0.099   0.103     0.672  100.000   98.413
LGA    L    85_A      L    85_A     0.446     0    0.038   0.096     0.903   97.619   95.238
LGA    P    86_A      P    86_A     0.282     0    0.038   0.278     0.519   97.619   97.279
LGA    K    87_A      K    87_A     0.354     0    0.026   0.063     0.475  100.000  100.000
LGA    T    88_A      T    88_A     0.404     0    0.028   0.046     0.477  100.000  100.000
LGA    R    89_A      R    89_A     0.678     6    0.020   0.023     0.794   90.476   41.126
LGA    D    90_A      D    90_A     0.810     0    0.020   0.389     2.227   92.857   86.190
LGA    V    91_A      V    91_A     0.455     0    0.009   0.020     0.568   97.619   97.279
LGA    K    92_A      K    92_A     0.305     0    0.039   0.127     1.285  100.000   95.820
LGA    S    93_A      S    93_A     0.214     0    0.082   0.662     1.788  100.000   93.889
LGA    T    94_A      T    94_A     0.075     0    0.027   0.052     0.346  100.000  100.000
LGA    C    95_A      C    95_A     0.113     0    0.041   0.052     0.213  100.000  100.000
LGA    T    96_A      T    96_A     0.220     0    0.018   0.037     0.380  100.000  100.000
LGA    A    97_A      A    97_A     0.184     0    0.032   0.033     0.393  100.000  100.000
LGA    V    98_A      V    98_A     0.874     0    0.024   0.032     1.224   90.476   87.891
LGA    I    99_A      I    99_A     0.932     0    0.022   0.450     1.325   90.476   88.214
LGA    T   100_A      T   100_A     0.490     0    0.016   0.045     0.834   97.619   94.558
LGA    E   101_A      E   101_A     0.466     0    0.025   0.393     1.444   95.238   93.704
LGA    P   102_A      P   102_A     0.724     0    0.031   0.198     0.930   92.857   91.837
LGA    L   103_A      L   103_A     0.396     0    0.161   1.382     2.858  100.000   84.702
LGA    N   104_A      N   104_A     1.435     0    0.225   1.257     6.093   66.548   47.976
LGA    N   105_A      N   105_A     4.993     0    0.680   0.539    10.380   43.690   23.333
LGA    E   106_A      E   106_A     1.425     0    0.089   1.082     6.836   73.214   55.185
LGA    R   107_A      R   107_A     1.249     0    0.139   1.173     4.081   83.690   75.238
LGA    F   108_A      F   108_A     1.273     0    0.137   1.288     4.808   83.690   69.610
LGA    V   109_A      V   109_A     0.812     0    0.048   0.070     0.882   90.476   91.837
LGA    H   110_A      H   110_A     1.059     0    0.069   1.211     5.131   83.690   67.476
LGA    S   111_A      S   111_A     0.810     0    0.058   0.086     0.914   90.476   90.476
LGA    F   112_A      F   112_A     0.285     0    0.041   0.122     0.563  100.000   99.134
LGA    T   113_A      T   113_A     0.277     0    0.138   1.020     2.242   97.619   88.571
LGA    C   114_A      C   114_A     0.412     0    0.102   0.111     0.807   97.619   96.825
LGA    G   115_A      G   115_A     0.328     0    0.659   0.659     3.568   79.048   79.048

# 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):     0.865          0.888                  1.432           92.894   88.546

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    103    0.86    96.359    98.463    10.677

LGA_LOCAL      RMSD:   0.865  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.865  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   0.865  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.536643 * X  +   0.644633 * Y  +  -0.544484 * Z  + -29.175470
  Y_new =   0.843148 * X  +  -0.435201 * Y  +   0.315757 * Z  +  30.080935
  Z_new =  -0.033413 * X  +  -0.628529 * Y  +  -0.777068 * Z  +   0.132390 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.003987  0.033419 -2.461481   [DEG:   57.5242    1.9148 -141.0325 ]
ZXZ: -2.096320  2.460791 -3.088482   [DEG: -120.1103  140.9929 -176.9570 ]
 
# END of job
