
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:   104      17_A - 120_A       0.90     0.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.90     0.90
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.90     0.90
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A    104  104  104     14   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    18_A     E    18_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    19_A     E    19_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    20_A     M    20_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    21_A     N    21_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    22_A     K    22_A    104  104  104     24   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    23_A     V    23_A    104  104  104     27   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    24_A     H    24_A    104  104  104     47   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    25_A     N    25_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    26_A     I    26_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    27_A     K    27_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    28_A     C    28_A    104  104  104     44   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    29_A     H    29_A    104  104  104     24   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    30_A     F    30_A    104  104  104     24   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    31_A     D    31_A    104  104  104     18   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    32_A     N    32_A    104  104  104      4   23   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    33_A     C    33_A    104  104  104     21   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    34_A     N    34_A    104  104  104      3   39   89  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    35_A     R    35_A    104  104  104     21   84   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    36_A     K    36_A    104  104  104     25   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    37_A     I    37_A    104  104  104     44   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    38_A     H    38_A    104  104  104     27   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W    39_A     W    39_A    104  104  104     27   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    40_A     K    40_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    41_A     I    41_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    42_A     R    42_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    43_A     Y    43_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    44_A     G    44_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    45_A     K    45_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    46_A     L    46_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    47_A     R    47_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    48_A     L    48_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V    49_A     V    49_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    50_A     D    50_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    51_A     H    51_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    52_A     A    52_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    53_A     L    53_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    54_A     S    54_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    55_A     H    55_A    104  104  104     43   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    56_A     Q    56_A    104  104  104     40   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    57_A     E    57_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    58_A     E    58_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    59_A     K    59_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    60_A     S    60_A    104  104  104     20   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    61_A     I    61_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D    62_A     D    62_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    63_A     C    63_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    64_A     Q    64_A    104  104  104     44   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    65_A     K    65_A    104  104  104     43   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    66_A     C    66_A    104  104  104     43   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    67_A     E    67_A    104  104  104     43   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    68_A     Y    68_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S    69_A     S    69_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C    70_A     C    70_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    71_A     Q    71_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    72_A     T    72_A    104  104  104     41   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T    73_A     T    73_A    104  104  104     36   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    74_A     R    74_A    104  104  104     36   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q    75_A     Q    75_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    76_A     M    76_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     R    77_A     R    77_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    78_A     Y    78_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    79_A     H    79_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Y    80_A     Y    80_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    81_A     K    81_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    82_A     K    82_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    83_A     I    83_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     H    84_A     H    84_A    104  104  104     45   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     A    85_A     A    85_A    104  104  104     45   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    86_A     N    86_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    87_A     L    87_A    104  104  104     44   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K    88_A     K    88_A    104  104  104     15   78   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     M    89_A     M    89_A    104  104  104      6   68   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     E    90_A     E    90_A    104  104  104      5   22   70  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    91_A     G    91_A    104  104  104      4   22   65  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F    92_A     F    92_A    104  104  104      5   41   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G    93_A     G    93_A    104  104  104     12   72   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    94_A     I    94_A    104  104  104     12   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    95_A     L    95_A    104  104  104     14   78   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N    96_A     N    96_A    104  104  104      6   49   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I    97_A     I    97_A    104  104  104      6   74   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     P    98_A     P    98_A    104  104  104      6   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L    99_A     L    99_A    104  104  104     31   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   100_A     Q   100_A    104  104  104      4   22   74  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   101_A     N   101_A    104  104  104      3    9   21   92  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   102_A     T   102_A    104  104  104     15   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   103_A     K   103_A    104  104  104     30   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   104_A     F   104_A    104  104  104     36   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     S   105_A     S   105_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   106_A     D   106_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     V   107_A     V   107_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     W   108_A     W   108_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     N   109_A     N   109_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   110_A     K   110_A    104  104  104     42   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     C   111_A     C   111_A    104  104  104     48   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     F   112_A     F   112_A    104  104  104     36   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   113_A     G   113_A    104  104  104     13   42   91  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     D   114_A     D   114_A    104  104  104     14   48   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     Q   115_A     Q   115_A    104  104  104     43   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     L   116_A     L   116_A    104  104  104     16   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     K   117_A     K   117_A    104  104  104      8   81   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     T   118_A     T   118_A    104  104  104     28   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     I   119_A     I   119_A    104  104  104     44   85   96  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
LCS_GDT     G   120_A     G   120_A    104  104  104      8   47   95  102  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104  104 
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     48     85     96    102    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  46.15  81.73  92.31  98.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.57   0.71   0.84   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90
GDT RMS_ALL_AT   0.94   0.92   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90   0.90

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F   104_A      F   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     0.868     4    0.039   0.037     1.077   88.214   49.259
LGA    E    18_A      E    18_A     0.606     4    0.010   0.013     0.727   92.857   51.323
LGA    E    19_A      E    19_A     0.751     4    0.167   0.180     1.066   90.476   49.259
LGA    M    20_A      M    20_A     0.680     0    0.028   0.725     2.541   90.476   85.179
LGA    N    21_A      N    21_A     0.754     0    0.105   0.949     4.058   88.214   75.298
LGA    K    22_A      K    22_A     0.957     0    0.028   0.439     2.643   85.952   79.788
LGA    V    23_A      V    23_A     0.951     0    0.045   0.063     1.308   88.214   85.306
LGA    H    24_A      H    24_A     0.607     0    0.053   0.162     0.938   90.476   90.476
LGA    N    25_A      N    25_A     0.336     0    0.081   0.296     1.972   97.619   90.714
LGA    I    26_A      I    26_A     0.236     0    0.021   0.085     0.418  100.000  100.000
LGA    K    27_A      K    27_A     0.370     0    0.062   0.883     5.428  100.000   74.444
LGA    C    28_A      C    28_A     0.539     0    0.099   0.203     1.308   90.595   90.556
LGA    H    29_A      H    29_A     0.866     0    0.026   0.252     1.131   90.476   89.571
LGA    F    30_A      F    30_A     1.015     0    0.024   0.045     1.618   88.214   82.338
LGA    D    31_A      D    31_A     0.949     0    0.070   0.746     1.926   85.952   82.679
LGA    N    32_A      N    32_A     1.499     0    0.088   0.521     2.110   81.429   75.119
LGA    C    33_A      C    33_A     0.946     0    0.524   0.540     2.976   82.143   81.905
LGA    N    34_A      N    34_A     1.909     0    0.060   0.870     4.775   75.000   58.631
LGA    R    35_A      R    35_A     1.079     0    0.070   1.431     7.705   88.214   57.619
LGA    K    36_A      K    36_A     0.752     0    0.013   0.710     1.627   90.476   87.513
LGA    I    37_A      I    37_A     0.482     0    0.047   0.660     2.760   95.238   89.881
LGA    H    38_A      H    38_A     0.936     0    0.114   0.287     1.897   83.810   81.571
LGA    W    39_A      W    39_A     0.839     0    0.065   0.146     0.918   90.476   90.476
LGA    K    40_A      K    40_A     0.675     0    0.025   0.149     1.448   90.476   88.466
LGA    I    41_A      I    41_A     0.519     0    0.057   0.083     0.616   90.476   95.238
LGA    R    42_A      R    42_A     0.791     0    0.090   0.740     2.602   90.476   77.273
LGA    Y    43_A      Y    43_A     0.731     0    0.042   0.159     2.390   92.857   81.071
LGA    G    44_A      G    44_A     0.430     0    0.004   0.004     0.546   97.619   97.619
LGA    K    45_A      K    45_A     0.301     0    0.020   0.524     2.690  100.000   93.122
LGA    L    46_A      L    46_A     0.233     0    0.015   0.116     0.784  100.000   98.810
LGA    R    47_A      R    47_A     0.463     0    0.024   0.967     2.522  100.000   84.459
LGA    L    48_A      L    48_A     0.378     0    0.018   0.096     0.884  100.000   96.429
LGA    V    49_A      V    49_A     0.076     0    0.043   0.067     0.420  100.000  100.000
LGA    D    50_A      D    50_A     0.323     0    0.013   0.759     3.294  100.000   84.762
LGA    H    51_A      H    51_A     0.328     0    0.026   0.374     2.066  100.000   88.238
LGA    A    52_A      A    52_A     0.460     0    0.023   0.036     0.489  100.000  100.000
LGA    L    53_A      L    53_A     0.151     0    0.034   0.063     0.623  100.000   97.619
LGA    S    54_A      S    54_A     0.551     0    0.014   0.047     0.657   92.857   92.063
LGA    H    55_A      H    55_A     0.666     0    0.073   0.201     1.484   90.476   86.857
LGA    Q    56_A      Q    56_A     0.653     0    0.106   1.050     2.890   95.238   86.931
LGA    E    57_A      E    57_A     0.438     4    0.027   0.046     0.742  100.000   54.497
LGA    E    58_A      E    58_A     0.393     4    0.089   0.094     0.822   97.619   53.439
LGA    K    59_A      K    59_A     0.167     0    0.090   0.494     3.226   97.619   87.249
LGA    S    60_A      S    60_A     0.834     0    0.052   0.704     2.142   92.857   84.841
LGA    I    61_A      I    61_A     0.171     0    0.036   0.626     1.880  100.000   94.226
LGA    D    62_A      D    62_A     0.298     0    0.064   1.078     3.825   97.619   81.071
LGA    C    63_A      C    63_A     0.419     0    0.082   0.115     0.694  100.000   98.413
LGA    Q    64_A      Q    64_A     0.741     0    0.058   1.006     2.984   90.476   82.804
LGA    K    65_A      K    65_A     0.742     0    0.099   0.285     2.093   90.476   83.651
LGA    C    66_A      C    66_A     0.755     0    0.084   0.175     1.012   90.476   88.968
LGA    E    67_A      E    67_A     0.969     4    0.094   0.088     1.394   92.857   50.317
LGA    Y    68_A      Y    68_A     0.458     0    0.045   0.111     0.758   97.619   95.238
LGA    S    69_A      S    69_A     0.308     0    0.070   0.696     2.428  100.000   94.127
LGA    C    70_A      C    70_A     0.213     0    0.060   0.110     0.386  100.000  100.000
LGA    Q    71_A      Q    71_A     0.428     0    0.012   0.384     2.462  100.000   89.841
LGA    T    72_A      T    72_A     0.590     0    0.040   0.089     1.031   95.238   91.905
LGA    T    73_A      T    73_A     0.600     0    0.020   0.114     1.011   90.476   89.184
LGA    R    74_A      R    74_A     0.633     0    0.021   1.415     7.124   95.238   69.481
LGA    Q    75_A      Q    75_A     0.374     0    0.032   0.210     1.320  100.000   95.820
LGA    M    76_A      M    76_A     0.199     0    0.036   0.119     0.537  100.000   98.810
LGA    R    77_A      R    77_A     0.191     0    0.028   1.121     6.360  100.000   71.905
LGA    Y    78_A      Y    78_A     0.160     0    0.021   0.147     0.794  100.000   99.206
LGA    H    79_A      H    79_A     0.294     0    0.052   0.119     0.763  100.000   97.143
LGA    Y    80_A      Y    80_A     0.452     0    0.060   0.073     0.547  100.000   96.032
LGA    K    81_A      K    81_A     0.340     0    0.063   0.905     4.433  100.000   84.339
LGA    K    82_A      K    82_A     0.644     0    0.022   0.698     3.372   92.857   78.624
LGA    I    83_A      I    83_A     0.734     0    0.038   0.065     0.969   90.476   90.476
LGA    H    84_A      H    84_A     0.582     0    0.055   0.058     0.925   95.238   92.381
LGA    A    85_A      A    85_A     0.472     0    0.009   0.020     0.649   97.619   96.190
LGA    N    86_A      N    86_A     0.418     3    0.115   0.123     0.913  100.000   61.310
LGA    L    87_A      L    87_A     0.214     0    0.052   1.100     3.107   97.619   84.821
LGA    K    88_A      K    88_A     1.263     0    0.022   0.800     2.881   81.429   71.376
LGA    M    89_A      M    89_A     1.396     0    0.165   0.865     2.064   77.143   75.060
LGA    E    90_A      E    90_A     2.196     0    0.046   0.551     3.600   64.762   57.460
LGA    G    91_A      G    91_A     2.294     0    0.295   0.295     3.043   61.071   61.071
LGA    F    92_A      F    92_A     1.573     0    0.095   0.148     1.791   72.857   82.424
LGA    G    93_A      G    93_A     1.171     0    0.022   0.022     1.357   81.429   81.429
LGA    I    94_A      I    94_A     0.965     0    0.037   1.312     2.333   88.214   78.571
LGA    L    95_A      L    95_A     1.288     0    0.083   0.109     2.471   81.548   75.179
LGA    N    96_A      N    96_A     1.636     0    0.094   1.043     3.859   72.976   67.202
LGA    I    97_A      I    97_A     1.246     0    0.038   0.104     1.254   83.690   82.560
LGA    P    98_A      P    98_A     1.041     0    0.075   0.071     1.279   85.952   84.014
LGA    L    99_A      L    99_A     0.602     0    0.092   0.125     1.023   92.857   91.726
LGA    Q   100_A      Q   100_A     1.891     0    0.404   0.647     5.121   75.000   56.402
LGA    N   101_A      N   101_A     2.705     0    0.163   1.269     3.499   65.000   58.393
LGA    T   102_A      T   102_A     0.866     0    0.092   1.083     3.206   92.976   80.340
LGA    K   103_A      K   103_A     0.791     0    0.035   0.977     2.491   90.476   82.751
LGA    F   104_A      F   104_A     0.643     0    0.024   0.051     0.779   95.238   92.208
LGA    S   105_A      S   105_A     0.300     0    0.026   0.116     0.947  100.000   98.413
LGA    D   106_A      D   106_A     0.413     0    0.056   0.469     1.259   95.238   94.107
LGA    V   107_A      V   107_A     0.513     0    0.023   0.936     2.354   92.857   85.646
LGA    W   108_A      W   108_A     0.305     0    0.027   0.082     0.581  100.000   97.959
LGA    N   109_A      N   109_A     0.652     0    0.010   0.814     3.842   90.476   78.155
LGA    K   110_A      K   110_A     0.785     0    0.024   1.268     5.882   90.476   68.254
LGA    C   111_A      C   111_A     0.498     0    0.042   0.088     0.700   97.619   95.238
LGA    F   112_A      F   112_A     0.746     0    0.197   0.220     1.940   83.810   81.558
LGA    G   113_A      G   113_A     1.796     0    0.275   0.275     1.796   81.548   81.548
LGA    D   114_A      D   114_A     1.401     3    0.176   0.188     1.832   79.286   48.750
LGA    Q   115_A      Q   115_A     0.746     0    0.156   0.144     1.154   90.595   90.529
LGA    L   116_A      L   116_A     0.940     0    0.052   1.052     2.501   85.952   77.500
LGA    K   117_A      K   117_A     1.251     0    0.015   0.821     5.532   81.429   63.333
LGA    T   118_A      T   118_A     0.720     0    0.021   0.038     0.960   90.476   90.476
LGA    I   119_A      I   119_A     0.594     0    0.110   0.109     1.274   88.214   89.345
LGA    G   120_A      G   120_A     1.642     0    0.123   0.123     2.321   72.976   72.976

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):     0.895          0.898                  1.499           91.163   82.463

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.90    94.952    97.849    10.450

LGA_LOCAL      RMSD:   0.895  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.895  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.895  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.302626 * X  +  -0.006142 * Y  +  -0.953090 * Z  +  -3.286354
  Y_new =  -0.948635 * X  +   0.094838 * Y  +  -0.301822 * Z  +  -0.922110
  Z_new =   0.092243 * X  +   0.995474 * Y  +   0.022874 * Z  +  -2.563604 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.261990 -0.092374  1.547823   [DEG:  -72.3067   -5.2927   88.6837 ]
ZXZ: -1.264110  1.547921  0.092399   [DEG:  -72.4282   88.6893    5.2941 ]
 
# END of job
