
#######################################################
#                                                     #
#                        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       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      13_A - 115_A       0.82     0.82
  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     39   90  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     54   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     60   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     60   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     60   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     54   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     32   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     15   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      4   47  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      3   58  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     31   90  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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     57   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     17   87  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      4   28   86  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      3   76  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     32   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     57   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     60   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     57   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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      7   86  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     22   89  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      5   44   80  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     47   90  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     49   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     49   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     57   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     57   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     60   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     60   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     60   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     60   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     59   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     60   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     57   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     42   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     22   85  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      7   85  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     45   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     56   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     60   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     57   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     60   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      9   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     60   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     55   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     47   90  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     49   88  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      3   90  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   33   77   98  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      4   86  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     55   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     60   90  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     60   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     60   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     60   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     60   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     60   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     60   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     33   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     60     90    100    102    102    102    103    103    103    103    103    103    103    103    103    103    103    103    103    103 
GDT PERCENT_AT  58.25  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    0.30   0.49   0.64   0.71   0.71   0.71   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82
GDT RMS_ALL_AT   0.86   0.85   0.83   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82

# Checking swapping
#   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:  E    53_A      E    53_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:  Y    79_A      Y    79_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    13_A      G    13_A     0.980     0    0.098   0.098     1.134   88.214   88.214
LGA    W    14_A      W    14_A     0.670     0    0.020   0.067     1.098   90.476   89.184
LGA    Q    15_A      Q    15_A     0.426     0    0.025   1.201     4.449  100.000   80.899
LGA    K    16_A      K    16_A     0.343     0    0.027   0.809     4.351  100.000   79.630
LGA    K    17_A      K    17_A     0.451     0    0.066   0.600     2.333   95.238   88.995
LGA    T    18_A      T    18_A     0.946     0    0.063   1.203     3.884   85.952   76.190
LGA    P    19_A      P    19_A     1.132     0    0.024   0.047     1.694   85.952   82.789
LGA    V    20_A      V    20_A     0.931     0    0.108   0.129     1.271   85.952   87.891
LGA    D    21_A      D    21_A     1.484     0    0.239   1.095     6.746   85.952   58.690
LGA    N    22_A      N    22_A     1.475     0    0.184   0.725     1.855   81.429   78.214
LGA    E    23_A      E    23_A     1.191     0    0.080   0.857     4.249   85.952   66.667
LGA    Q    24_A      Q    24_A     0.690     0    0.061   0.108     0.881   90.476   94.709
LGA    Y    25_A      Y    25_A     0.505     0    0.038   0.100     1.028   95.238   91.310
LGA    K    26_A      K    26_A     0.311     0    0.036   0.821     2.901  100.000   84.392
LGA    E    27_A      E    27_A     0.424     0    0.039   1.206     5.027  100.000   76.190
LGA    L    28_A      L    28_A     0.349     0    0.030   1.243     2.886  100.000   90.238
LGA    A    29_A      A    29_A     0.249     0    0.023   0.031     0.314  100.000  100.000
LGA    H    30_A      H    30_A     0.352     0    0.028   0.172     0.495  100.000  100.000
LGA    F    31_A      F    31_A     0.377     0    0.026   0.110     0.511  100.000   99.134
LGA    A    32_A      A    32_A     0.423     0    0.019   0.021     0.445  100.000  100.000
LGA    V    33_A      V    33_A     0.160     0    0.064   0.963     2.294  100.000   92.313
LGA    S    34_A      S    34_A     0.411     0    0.050   0.070     0.589   97.619   98.413
LGA    K    35_A      K    35_A     0.302     0    0.054   0.509     2.190  100.000   90.847
LGA    Q    36_A      Q    36_A     0.675     0    0.042   0.127     0.852   92.857   91.534
LGA    V    37_A      V    37_A     1.220     0    0.011   0.060     1.760   77.143   78.980
LGA    E    38_A      E    38_A     2.127     0    0.028   1.652     8.168   70.833   45.450
LGA    G    39_A      G    39_A     1.505     0    0.088   0.088     1.722   81.667   81.667
LGA    R    40_A      R    40_A     0.820     0    0.066   1.082     4.314   88.214   76.147
LGA    E    41_A      E    41_A     0.600     0    0.033   0.386     0.942   92.857   91.534
LGA    F    42_A      F    42_A     0.473     0    0.053   0.081     0.630  100.000   96.537
LGA    F    43_A      F    43_A     0.570     0    0.036   0.132     0.734   95.238   92.208
LGA    D    44_A      D    44_A     0.218     0    0.044   0.073     0.502  100.000   98.810
LGA    T    45_A      T    45_A     0.311     0    0.053   0.143     0.729  100.000   95.918
LGA    V    46_A      V    46_A     0.166     0    0.028   1.347     2.641  100.000   88.844
LGA    L    47_A      L    47_A     0.188     0    0.021   1.248     2.626  100.000   90.238
LGA    E    48_A      E    48_A     0.499     0    0.056   0.591     1.529  100.000   92.804
LGA    V    49_A      V    49_A     0.289     0    0.014   1.340     2.532  100.000   87.755
LGA    T    50_A      T    50_A     0.241     0    0.034   0.067     0.387  100.000  100.000
LGA    D    51_A      D    51_A     0.424     0    0.018   0.930     4.386  100.000   81.429
LGA    V    52_A      V    52_A     0.392     0    0.023   1.341     2.896  100.000   88.844
LGA    E    53_A      E    53_A     0.148     0    0.020   0.799     3.324  100.000   87.513
LGA    T    54_A      T    54_A     0.196     0    0.016   0.092     0.447  100.000  100.000
LGA    Q    55_A      Q    55_A     0.434     0    0.018   0.506     2.226   95.238   91.852
LGA    V    56_A      V    56_A     1.163     0    0.027   1.332     3.475   88.214   76.122
LGA    V    57_A      V    57_A     1.024     0    0.317   1.138     4.326   66.190   69.524
LGA    A    58_A      A    58_A     2.012     0    0.154   0.151     2.789   72.976   69.810
LGA    G    59_A      G    59_A     0.696     0    0.062   0.062     1.209   88.214   88.214
LGA    T    60_A      T    60_A     0.848     0    0.030   0.078     1.164   90.476   87.891
LGA    N    61_A      N    61_A     0.781     0    0.022   0.346     2.057   92.857   87.321
LGA    Y    62_A      Y    62_A     0.497     0    0.012   0.137     0.653   92.857   94.444
LGA    R    63_A      R    63_A     0.430     0    0.027   0.629     1.325  100.000   91.558
LGA    I    64_A      I    64_A     0.291     0    0.033   0.045     0.478  100.000  100.000
LGA    T    65_A      T    65_A     0.147     0    0.021   0.057     0.298  100.000  100.000
LGA    F    66_A      F    66_A     0.167     0    0.046   0.159     0.516  100.000   99.134
LGA    K    67_A      K    67_A     0.146     0    0.018   0.160     0.466  100.000  100.000
LGA    I    68_A      I    68_A     0.067     0    0.034   0.097     0.381  100.000  100.000
LGA    A    69_A      A    69_A     0.201     0    0.031   0.032     0.330  100.000  100.000
LGA    E    70_A      E    70_A     0.053     0    0.041   0.635     1.629  100.000   94.921
LGA    S    71_A      S    71_A     0.391     0    0.028   0.091     0.509   97.619   98.413
LGA    T    72_A      T    72_A     0.662     0    0.030   0.060     0.991   90.476   90.476
LGA    C    73_A      C    73_A     0.651     0    0.028   0.096     1.178   90.476   88.968
LGA    R    74_A      R    74_A     0.532     0    0.025   0.109     0.653   92.857   93.074
LGA    V    75_A      V    75_A     0.528     0    0.012   0.050     0.623   92.857   94.558
LGA    T    76_A      T    76_A     0.326     0    0.047   0.118     0.745  100.000   97.279
LGA    E    77_A      E    77_A     0.367     0    0.067   0.380     1.422  100.000   93.704
LGA    T    78_A      T    78_A     0.552     0    0.026   0.074     0.749   95.238   94.558
LGA    Y    79_A      Y    79_A     0.513     0    0.027   0.157     0.648   90.476   95.238
LGA    S    80_A      S    80_A     0.574     0    0.052   0.093     1.008   90.476   88.968
LGA    K    81_A      K    81_A     0.632     0    0.036   0.688     3.838   90.595   75.132
LGA    E    82_A      E    82_A     1.299     0    0.065   1.339     4.575   81.548   67.831
LGA    T    83_A      T    83_A     1.108     0    0.089   1.064     3.073   83.690   75.850
LGA    C    84_A      C    84_A     0.763     0    0.056   0.060     0.882   90.476   90.476
LGA    L    85_A      L    85_A     0.661     0    0.040   1.223     3.436   92.857   82.262
LGA    P    86_A      P    86_A     0.464     0    0.021   0.118     0.562   95.238   95.918
LGA    K    87_A      K    87_A     0.503     0    0.023   0.608     2.081   92.857   86.720
LGA    T    88_A      T    88_A     0.389     0    0.019   0.030     0.467  100.000  100.000
LGA    R    89_A      R    89_A     0.720     6    0.033   0.036     1.007   90.476   40.303
LGA    D    90_A      D    90_A     0.441     0    0.041   0.259     1.528  100.000   90.774
LGA    V    91_A      V    91_A     0.249     0    0.043   1.342     2.634  100.000   88.844
LGA    K    92_A      K    92_A     0.201     0    0.039   0.096     0.506  100.000   98.942
LGA    S    93_A      S    93_A     0.305     0    0.072   0.598     1.555  100.000   93.889
LGA    T    94_A      T    94_A     0.114     0    0.016   0.069     0.153  100.000  100.000
LGA    C    95_A      C    95_A     0.142     0    0.038   0.044     0.273  100.000  100.000
LGA    T    96_A      T    96_A     0.264     0    0.026   0.037     0.333  100.000  100.000
LGA    A    97_A      A    97_A     0.337     0    0.016   0.021     0.390  100.000  100.000
LGA    V    98_A      V    98_A     0.710     0    0.043   1.342     3.052   92.857   82.381
LGA    I    99_A      I    99_A     0.715     0    0.033   0.481     1.029   92.857   90.536
LGA    T   100_A      T   100_A     0.517     0    0.030   0.045     0.575   90.476   93.197
LGA    E   101_A      E   101_A     0.693     0    0.041   0.145     0.906   90.476   90.476
LGA    P   102_A      P   102_A     1.007     0    0.076   0.364     1.256   83.690   85.306
LGA    L   103_A      L   103_A     1.506     0    0.077   0.610     3.557   79.286   65.833
LGA    N   104_A      N   104_A     1.036     0    0.221   1.319     6.243   73.690   50.655
LGA    N   105_A      N   105_A     4.209     0    0.645   0.535     9.889   54.048   29.286
LGA    E   106_A      E   106_A     1.154     0    0.180   1.135     6.742   81.786   58.995
LGA    R   107_A      R   107_A     0.553     0    0.041   1.009     4.113   95.238   84.286
LGA    F   108_A      F   108_A     0.405     0    0.014   0.049     0.529   97.619   99.134
LGA    V   109_A      V   109_A     0.446     0    0.035   1.339     2.840   97.619   87.483
LGA    H   110_A      H   110_A     0.548     0    0.044   1.115     2.610   90.476   81.905
LGA    S   111_A      S   111_A     0.390     0    0.015   0.030     0.481  100.000  100.000
LGA    F   112_A      F   112_A     0.154     0    0.046   0.080     0.327  100.000  100.000
LGA    T   113_A      T   113_A     0.404     0    0.103   1.000     2.313   97.619   88.367
LGA    C   114_A      C   114_A     0.185     0    0.062   0.069     0.264  100.000  100.000
LGA    G   115_A      G   115_A     0.885     0    0.208   0.208     4.142   65.357   65.357

# 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):     0.819          0.841                  1.544           93.161   87.255

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  103    4.0    103    0.82    96.602    98.595    11.204

LGA_LOCAL      RMSD:   0.819  Number of atoms:  103  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.819  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   0.819  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.166201 * X  +  -0.982736 * Y  +  -0.081290 * Z  + -28.437599
  Y_new =  -0.965922 * X  +   0.145659 * Y  +   0.213958 * Z  +  28.547377
  Z_new =  -0.198423 * X  +   0.114080 * Y  +  -0.973455 * Z  +   0.930517 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.741192  0.199749  3.024934   [DEG:  -99.7630   11.4448  173.3160 ]
ZXZ: -2.778503  2.910666 -1.049014   [DEG: -159.1965  166.7689  -60.1041 ]
 
# END of job
