
#######################################################
#                                                     #
#                        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       0.70     0.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.70     0.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.70     0.70
  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     55   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     53   93  102  104  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     53   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     55   93  102  104  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     55   93  102  104  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     11   84  102  104  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     55   93  102  104  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   30   78  104  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     28   93  102  104  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     32   93  102  104  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     58   93  102  104  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     50   93  102  104  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     50   93  102  104  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     58   93  102  104  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     58   93  102  104  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     35   93  102  104  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     13   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     53   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     55   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     57   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     46   93  102  104  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     58   93  102  104  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     52   93  102  104  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     33   92  102  104  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     33   92  102  104  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     33   92  102  104  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     46   93  102  104  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     33   93  102  104  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     33   93  102  104  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     33   93  102  104  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     58   93  102  104  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     38   93  102  104  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     17   93  102  104  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     53   93  102  104  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     58   93  102  104  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      5   55  102  104  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      5   25   57  104  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     38   93  102  104  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   93  102  104  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     54   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     58   93  102  104  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     28   93  102  104  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     29   93  102  104  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     29   93  102  104  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     18   93  102  104  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     18   70  102  104  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     18   93  102  104  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     18   93  102  104  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      7   59  102  104  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     58     93    102    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  55.77  89.42  98.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.54   0.64   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70
GDT RMS_ALL_AT   0.73   0.71   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70   0.70

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_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     0.667     4    0.042   0.041     0.858   95.238   52.381
LGA    E    18_A      E    18_A     0.122     4    0.012   0.011     0.288  100.000   55.556
LGA    E    19_A      E    19_A     0.548     4    0.158   0.170     0.727   92.857   51.323
LGA    M    20_A      M    20_A     0.645     0    0.018   0.711     2.790   90.476   85.179
LGA    N    21_A      N    21_A     0.719     0    0.113   0.962     4.236   90.476   75.476
LGA    K    22_A      K    22_A     0.794     0    0.013   0.465     2.879   88.214   81.799
LGA    V    23_A      V    23_A     0.797     0    0.040   0.097     1.242   90.476   87.891
LGA    H    24_A      H    24_A     0.521     0    0.063   0.165     0.935   92.857   91.429
LGA    N    25_A      N    25_A     0.346     0    0.109   0.301     2.037   97.619   89.702
LGA    I    26_A      I    26_A     0.319     0    0.015   0.077     0.473  100.000  100.000
LGA    K    27_A      K    27_A     0.340     0    0.072   0.880     5.080   97.619   75.926
LGA    C    28_A      C    28_A     0.242     0    0.109   0.202     1.071   92.976   93.730
LGA    H    29_A      H    29_A     0.507     0    0.023   1.121     2.261   92.857   83.619
LGA    F    30_A      F    30_A     0.752     0    0.010   0.045     1.206   90.476   87.186
LGA    D    31_A      D    31_A     0.809     0    0.068   0.715     2.136   88.214   83.869
LGA    N    32_A      N    32_A     1.231     0    0.091   0.422     2.005   85.952   78.393
LGA    C    33_A      C    33_A     0.718     0    0.522   0.536     2.861   82.143   84.921
LGA    N    34_A      N    34_A     1.916     0    0.037   0.134     3.437   75.000   63.393
LGA    R    35_A      R    35_A     1.027     0    0.084   1.134     7.637   88.214   55.974
LGA    K    36_A      K    36_A     0.761     0    0.038   0.747     1.599   88.214   85.503
LGA    I    37_A      I    37_A     0.388     0    0.055   0.640     2.414   97.619   94.405
LGA    H    38_A      H    38_A     0.811     0    0.086   0.905     2.633   88.214   78.333
LGA    W    39_A      W    39_A     0.774     0    0.059   0.177     0.958   90.476   90.476
LGA    K    40_A      K    40_A     0.667     0    0.032   0.101     0.781   90.476   90.476
LGA    I    41_A      I    41_A     0.560     0    0.050   0.098     0.657   90.476   95.238
LGA    R    42_A      R    42_A     0.854     0    0.101   0.771     2.803   88.214   73.680
LGA    Y    43_A      Y    43_A     1.121     0    0.081   0.283     3.955   85.952   67.103
LGA    G    44_A      G    44_A     0.482     0    0.021   0.021     0.668   97.619   97.619
LGA    K    45_A      K    45_A     0.299     0    0.009   0.617     3.052  100.000   88.201
LGA    L    46_A      L    46_A     0.300     0    0.017   0.098     0.368  100.000  100.000
LGA    R    47_A      R    47_A     0.368     0    0.022   1.321     3.225  100.000   84.026
LGA    L    48_A      L    48_A     0.281     0    0.010   0.103     0.690  100.000   98.810
LGA    V    49_A      V    49_A     0.170     0    0.053   0.067     0.371  100.000  100.000
LGA    D    50_A      D    50_A     0.260     0    0.043   0.304     0.937  100.000   96.429
LGA    H    51_A      H    51_A     0.296     0    0.022   0.417     1.552  100.000   91.667
LGA    A    52_A      A    52_A     0.431     0    0.048   0.058     0.450  100.000  100.000
LGA    L    53_A      L    53_A     0.205     0    0.041   0.088     0.432  100.000  100.000
LGA    S    54_A      S    54_A     0.322     0    0.020   0.049     0.371  100.000  100.000
LGA    H    55_A      H    55_A     0.409     0    0.023   0.138     0.979   97.619   93.333
LGA    Q    56_A      Q    56_A     0.492     0    0.039   0.665     1.798  100.000   90.741
LGA    E    57_A      E    57_A     0.511     4    0.046   0.059     0.562   95.238   52.381
LGA    E    58_A      E    58_A     0.305     4    0.111   0.124     0.977   95.238   53.439
LGA    K    59_A      K    59_A     0.399     0    0.031   0.498     2.123  100.000   95.026
LGA    S    60_A      S    60_A     0.494     0    0.015   0.147     0.580   95.238   95.238
LGA    I    61_A      I    61_A     0.553     0    0.074   0.639     1.222   95.238   90.595
LGA    D    62_A      D    62_A     0.339     0    0.039   0.119     0.557   97.619   97.619
LGA    C    63_A      C    63_A     0.205     0    0.047   0.066     0.368  100.000  100.000
LGA    Q    64_A      Q    64_A     0.254     0    0.066   0.987     3.371  100.000   90.265
LGA    K    65_A      K    65_A     0.344     0    0.104   0.303     1.817   95.357   89.683
LGA    C    66_A      C    66_A     0.326     0    0.059   0.140     0.639  100.000   98.413
LGA    E    67_A      E    67_A     0.576     4    0.125   0.118     0.959   92.857   51.323
LGA    Y    68_A      Y    68_A     0.408     0    0.084   0.169     0.663  100.000   96.825
LGA    S    69_A      S    69_A     0.494     0    0.058   0.680     2.449   97.619   92.540
LGA    C    70_A      C    70_A     0.515     0    0.042   0.098     0.690   92.857   92.063
LGA    Q    71_A      Q    71_A     0.628     0    0.027   0.378     2.222   95.238   86.720
LGA    T    72_A      T    72_A     0.333     0    0.040   0.062     0.735  100.000   95.918
LGA    T    73_A      T    73_A     0.206     0    0.015   0.051     0.284  100.000  100.000
LGA    R    74_A      R    74_A     0.503     0    0.022   1.402     7.434   97.619   68.701
LGA    Q    75_A      Q    75_A     0.414     0    0.035   0.167     1.117  100.000   95.820
LGA    M    76_A      M    76_A     0.194     0    0.047   0.113     0.466  100.000  100.000
LGA    R    77_A      R    77_A     0.273     0    0.019   1.142     4.856  100.000   84.026
LGA    Y    78_A      Y    78_A     0.409     0    0.021   0.116     1.376  100.000   92.937
LGA    H    79_A      H    79_A     0.299     0    0.054   0.101     0.633  100.000   97.143
LGA    Y    80_A      Y    80_A     0.184     0    0.050   0.050     0.638  100.000   98.413
LGA    K    81_A      K    81_A     0.572     0    0.054   0.927     5.860   92.857   74.127
LGA    K    82_A      K    82_A     0.577     0    0.018   0.705     3.168   97.619   82.487
LGA    I    83_A      I    83_A     0.335     0    0.006   0.057     0.578  100.000   97.619
LGA    H    84_A      H    84_A     0.278     0    0.057   0.073     0.568  100.000   98.095
LGA    A    85_A      A    85_A     0.611     0    0.013   0.017     0.844   95.238   94.286
LGA    N    86_A      N    86_A     0.492     3    0.092   0.099     0.710   95.238   58.929
LGA    L    87_A      L    87_A     0.595     0    0.020   1.099     2.849   92.857   83.333
LGA    K    88_A      K    88_A     1.221     0    0.006   0.797     2.308   81.429   78.624
LGA    M    89_A      M    89_A     1.201     0    0.129   0.463     2.133   81.429   81.607
LGA    E    90_A      E    90_A     1.145     0    0.086   0.586     2.931   81.429   71.481
LGA    G    91_A      G    91_A     0.864     0    0.166   0.166     0.921   90.476   90.476
LGA    F    92_A      F    92_A     0.723     0    0.040   0.076     0.904   90.476   94.805
LGA    G    93_A      G    93_A     0.813     0    0.018   0.018     0.818   90.476   90.476
LGA    I    94_A      I    94_A     0.823     0    0.045   1.165     3.149   90.476   81.012
LGA    L    95_A      L    95_A     0.400     0    0.067   0.073     1.390   97.619   90.655
LGA    N    96_A      N    96_A     0.556     0    0.083   1.085     2.795   90.595   85.357
LGA    I    97_A      I    97_A     0.684     0    0.027   0.114     0.885   92.857   91.667
LGA    P    98_A      P    98_A     0.497     0    0.092   0.095     0.645   97.619   94.558
LGA    L    99_A      L    99_A     0.315     0    0.090   0.139     0.522   97.619   98.810
LGA    Q   100_A      Q   100_A     1.490     0    0.385   0.408     3.636   77.143   64.603
LGA    N   101_A      N   101_A     2.120     0    0.141   0.786     4.329   70.952   61.607
LGA    T   102_A      T   102_A     0.534     0    0.039   1.068     2.816   95.238   85.034
LGA    K   103_A      K   103_A     0.753     0    0.053   0.973     2.321   90.476   82.751
LGA    F   104_A      F   104_A     0.488     0    0.037   0.069     0.642   97.619   99.134
LGA    S   105_A      S   105_A     0.304     0    0.031   0.070     0.412  100.000  100.000
LGA    D   106_A      D   106_A     0.464     0    0.034   0.134     0.541   95.238   96.429
LGA    V   107_A      V   107_A     0.477     0    0.020   0.948     2.437   97.619   89.728
LGA    W   108_A      W   108_A     0.275     0    0.029   0.089     0.353  100.000  100.000
LGA    N   109_A      N   109_A     0.410     0    0.011   0.768     3.192  100.000   85.952
LGA    K   110_A      K   110_A     0.454     0    0.028   1.236     5.390  100.000   76.138
LGA    C   111_A      C   111_A     0.420     0    0.048   0.059     0.544  100.000   96.825
LGA    F   112_A      F   112_A     0.559     0    0.018   0.061     0.922   90.476   90.476
LGA    G   113_A      G   113_A     0.892     0    0.042   0.042     1.102   88.214   88.214
LGA    D   114_A      D   114_A     0.929     3    0.115   0.123     0.929   90.476   56.548
LGA    Q   115_A      Q   115_A     0.838     0    0.074   0.091     0.995   90.476   90.476
LGA    L   116_A      L   116_A     1.071     0    0.059   1.067     2.767   83.690   77.381
LGA    K   117_A      K   117_A     1.434     0    0.020   0.802     5.399   81.429   62.910
LGA    T   118_A      T   118_A     0.872     0    0.024   0.046     0.992   90.476   90.476
LGA    I   119_A      I   119_A     0.922     0    0.130   0.133     1.224   85.952   83.690
LGA    G   120_A      G   120_A     1.536     0    0.121   0.121     1.987   75.000   75.000

# 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):     0.699          0.706                  1.345           93.783   85.583

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.70    97.356    99.022    13.017

LGA_LOCAL      RMSD:   0.699  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.699  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.699  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.397761 * X  +  -0.349426 * Y  +   0.848344 * Z  +   1.302242
  Y_new =   0.758701 * X  +  -0.645195 * Y  +   0.089980 * Z  +   2.981805
  Z_new =   0.515906 * X  +   0.679430 * Y  +   0.521743 * Z  +  -2.457683 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.053668 -0.542065  0.915929   [DEG:  117.6665  -31.0580   52.4789 ]
ZXZ:  1.676467  1.021903  0.649440   [DEG:   96.0545   58.5507   37.2102 ]
 
# END of job
