
#######################################################
#                                                     #
#                        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       0.76     0.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.76     0.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104      17_A - 120_A       0.76     0.76
  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     29   92   98  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     54   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     57   92   98  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     54   92   98  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     58   92   98  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     58   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     41   92   98  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     10   31   98  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   92   98  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    4   60  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     22   87   98  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     26   92   98  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     57   92   98  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     26   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     59   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     56   92   98  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     59   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     55   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     57   92   98  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     60   92   98  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     60   92   98  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     60   92   98  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     38   92   98  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     59   92   98  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     60   92   98  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     60   92   98  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     10   92   98  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     29   91   98  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     59   92   98  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     59   92   98  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      9   92   98  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     16   92   98  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     16   92   98  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      6   30   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      6   30   74  102  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     60   92   98  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     32   92   98  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     55   92   98  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     60   92   98  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     59   92   98  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     60   92   98  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     60   92   98  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     57   92   98  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     19   92   98  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     60   92   98  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     28   92   98  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      3   28   69  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      3   71   98  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     26   92   98  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     30   91   98  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      5   80   98  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     41   92   98  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     32   92   98  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     17   52   96  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     60     92     98    102    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104    104 
GDT PERCENT_AT  57.69  88.46  94.23  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    0.31   0.51   0.59   0.71   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76
GDT RMS_ALL_AT   0.81   0.78   0.77   0.77   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76   0.76

# 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     0.774     4    0.056   0.060     1.018   90.476   49.259
LGA    E    18_A      E    18_A     0.504     4    0.083   0.090     0.644   92.857   51.323
LGA    E    19_A      E    19_A     0.216     4    0.143   0.150     0.491  100.000   55.556
LGA    M    20_A      M    20_A     0.408     0    0.020   0.734     2.476  100.000   92.024
LGA    N    21_A      N    21_A     0.414     0    0.088   0.980     4.107  100.000   81.190
LGA    K    22_A      K    22_A     0.467     0    0.019   0.320     1.041   95.238   94.762
LGA    V    23_A      V    23_A     0.605     0    0.007   0.038     1.129   92.857   89.252
LGA    H    24_A      H    24_A     0.543     0    0.056   0.152     0.867   92.857   92.381
LGA    N    25_A      N    25_A     0.584     0    0.089   0.365     1.707   88.214   87.143
LGA    I    26_A      I    26_A     0.422     0    0.032   0.060     0.510  100.000   98.810
LGA    K    27_A      K    27_A     0.408     0    0.011   0.829     5.562   97.619   72.857
LGA    C    28_A      C    28_A     0.295     0    0.058   0.065     0.731   97.619   96.825
LGA    H    29_A      H    29_A     0.552     0    0.044   0.083     0.735   92.857   91.429
LGA    F    30_A      F    30_A     0.828     0    0.029   0.066     1.656   90.476   83.203
LGA    D    31_A      D    31_A     0.783     0    0.034   0.705     2.241   85.952   80.536
LGA    N    32_A      N    32_A     1.767     0    0.014   0.264     2.825   77.143   69.048
LGA    C    33_A      C    33_A     0.954     0    0.511   0.532     2.725   79.881   81.905
LGA    N    34_A      N    34_A     2.240     0    0.024   0.172     3.829   68.810   57.738
LGA    R    35_A      R    35_A     1.238     0    0.020   1.427     7.707   85.952   55.714
LGA    K    36_A      K    36_A     1.008     0    0.031   0.726     1.614   83.690   84.550
LGA    I    37_A      I    37_A     0.581     0    0.017   0.646     2.771   90.476   86.310
LGA    H    38_A      H    38_A     0.989     0    0.130   0.906     3.183   83.810   76.810
LGA    W    39_A      W    39_A     0.580     0    0.092   0.191     0.854   90.476   95.238
LGA    K    40_A      K    40_A     0.321     0    0.025   0.131     0.730  100.000   97.884
LGA    I    41_A      I    41_A     0.271     0    0.023   0.100     0.550  100.000   98.810
LGA    R    42_A      R    42_A     0.677     0    0.066   0.781     2.959   92.857   74.589
LGA    Y    43_A      Y    43_A     0.553     0    0.022   0.131     1.829   95.238   86.111
LGA    G    44_A      G    44_A     0.411     0    0.038   0.038     0.832   95.238   95.238
LGA    K    45_A      K    45_A     0.339     0    0.057   0.625     2.905  100.000   92.116
LGA    L    46_A      L    46_A     0.452     0    0.022   0.108     0.468  100.000  100.000
LGA    R    47_A      R    47_A     0.544     0    0.045   1.317     4.965   95.238   76.710
LGA    L    48_A      L    48_A     0.384     0    0.018   0.105     0.660  100.000   96.429
LGA    V    49_A      V    49_A     0.332     0    0.012   0.027     0.380  100.000  100.000
LGA    D    50_A      D    50_A     0.415     0    0.003   0.153     0.957  100.000   96.429
LGA    H    51_A      H    51_A     0.395     0    0.008   0.277     1.906  100.000   89.048
LGA    A    52_A      A    52_A     0.544     0    0.020   0.025     0.630   92.857   92.381
LGA    L    53_A      L    53_A     0.338     0    0.021   0.103     0.481  100.000  100.000
LGA    S    54_A      S    54_A     0.474     0    0.022   0.027     0.805   95.238   93.651
LGA    H    55_A      H    55_A     0.784     0    0.098   0.154     1.847   90.476   82.476
LGA    Q    56_A      Q    56_A     0.567     0    0.026   0.668     1.737   95.238   87.619
LGA    E    57_A      E    57_A     0.264     4    0.020   0.023     0.445  100.000   55.556
LGA    E    58_A      E    58_A     0.328     4    0.028   0.035     0.636  100.000   54.497
LGA    K    59_A      K    59_A     0.164     0    0.031   0.495     2.479  100.000   92.910
LGA    S    60_A      S    60_A     0.230     0    0.081   0.704     2.046  100.000   92.540
LGA    I    61_A      I    61_A     0.363     0    0.026   0.636     1.656  100.000   94.226
LGA    D    62_A      D    62_A     0.413     0    0.011   0.129     0.611  100.000   96.429
LGA    C    63_A      C    63_A     0.334     0    0.045   0.109     0.668   97.619   98.413
LGA    Q    64_A      Q    64_A     0.637     0    0.036   0.989     2.660   90.476   85.767
LGA    K    65_A      K    65_A     0.216     0    0.071   0.251     1.743   97.619   92.804
LGA    C    66_A      C    66_A     0.261     0    0.021   0.078     0.624  100.000   98.413
LGA    E    67_A      E    67_A     0.074     4    0.090   0.087     0.681   97.619   54.497
LGA    Y    68_A      Y    68_A     0.270     0    0.016   0.062     0.523  100.000   99.206
LGA    S    69_A      S    69_A     0.293     0    0.040   0.696     1.981  100.000   95.476
LGA    C    70_A      C    70_A     0.242     0    0.019   0.071     0.475  100.000  100.000
LGA    Q    71_A      Q    71_A     0.342     0    0.020   0.479     2.127  100.000   89.841
LGA    T    72_A      T    72_A     0.363     0    0.032   0.064     0.583  100.000   97.279
LGA    T    73_A      T    73_A     0.235     0    0.018   0.138     0.662  100.000   98.639
LGA    R    74_A      R    74_A     0.283     0    0.011   1.268     6.372  100.000   73.247
LGA    Q    75_A      Q    75_A     0.150     0    0.022   0.192     0.831  100.000   98.942
LGA    M    76_A      M    76_A     0.102     0    0.018   0.097     0.279  100.000  100.000
LGA    R    77_A      R    77_A     0.192     0    0.037   1.111     4.862  100.000   84.069
LGA    Y    78_A      Y    78_A     0.171     0    0.010   0.056     0.665  100.000   97.619
LGA    H    79_A      H    79_A     0.112     0    0.004   0.050     0.134  100.000  100.000
LGA    Y    80_A      Y    80_A     0.149     0    0.014   0.084     0.286  100.000  100.000
LGA    K    81_A      K    81_A     0.243     0    0.003   0.941     4.883  100.000   82.857
LGA    K    82_A      K    82_A     0.272     0    0.015   0.252     1.346  100.000   94.762
LGA    I    83_A      I    83_A     0.137     0    0.041   0.067     0.342  100.000  100.000
LGA    H    84_A      H    84_A     0.292     0    0.047   0.052     0.359  100.000  100.000
LGA    A    85_A      A    85_A     0.587     0    0.024   0.022     0.823   95.238   94.286
LGA    N    86_A      N    86_A     0.598     3    0.093   0.093     1.048   97.619   58.988
LGA    L    87_A      L    87_A     0.239     0    0.039   1.102     3.166  100.000   87.202
LGA    K    88_A      K    88_A     0.498     0    0.010   1.013     5.668  100.000   70.370
LGA    M    89_A      M    89_A     0.717     0    0.089   0.944     3.308   90.476   84.286
LGA    E    90_A      E    90_A     0.524     0    0.064   0.599     2.179   90.476   82.804
LGA    G    91_A      G    91_A     0.482     0    0.085   0.085     0.482  100.000  100.000
LGA    F    92_A      F    92_A     0.450     0    0.007   0.055     0.648   95.238   96.537
LGA    G    93_A      G    93_A     0.951     0    0.022   0.022     0.974   90.476   90.476
LGA    I    94_A      I    94_A     1.134     0    0.051   1.182     3.446   85.952   79.762
LGA    L    95_A      L    95_A     0.608     0    0.058   0.117     1.245   90.476   88.214
LGA    N    96_A      N    96_A     0.566     0    0.067   1.129     2.769   88.214   82.976
LGA    I    97_A      I    97_A     0.850     0    0.047   0.066     1.063   90.476   88.214
LGA    P    98_A      P    98_A     1.027     0    0.022   0.030     1.358   88.214   85.306
LGA    L    99_A      L    99_A     0.769     0    0.132   0.130     1.047   88.214   94.107
LGA    Q   100_A      Q   100_A     2.071     0    0.369   0.593     5.517   70.833   53.386
LGA    N   101_A      N   101_A     2.170     0    0.066   0.808     4.608   70.952   60.893
LGA    T   102_A      T   102_A     0.494     0    0.021   1.105     3.272   95.238   83.742
LGA    K   103_A      K   103_A     0.702     0    0.016   0.942     3.264   92.857   79.365
LGA    F   104_A      F   104_A     0.491     0    0.027   0.135     0.841   97.619   93.074
LGA    S   105_A      S   105_A     0.249     0    0.011   0.031     0.672  100.000   98.413
LGA    D   106_A      D   106_A     0.657     0    0.015   0.104     0.840   92.857   91.667
LGA    V   107_A      V   107_A     0.644     0    0.022   0.987     2.240   90.476   83.129
LGA    W   108_A      W   108_A     0.491     0    0.032   0.040     0.635   92.857   95.918
LGA    N   109_A      N   109_A     0.853     0    0.029   0.746     3.509   90.476   76.071
LGA    K   110_A      K   110_A     1.014     0    0.033   1.235     5.693   88.214   65.450
LGA    C   111_A      C   111_A     0.543     0    0.019   0.741     2.345   95.238   89.365
LGA    F   112_A      F   112_A     0.745     0    0.139   0.169     2.048   81.786   78.442
LGA    G   113_A      G   113_A     2.231     0    0.353   0.353     2.231   75.119   75.119
LGA    D   114_A      D   114_A     1.510     3    0.121   0.124     2.159   77.143   46.667
LGA    Q   115_A      Q   115_A     1.021     0    0.133   0.247     1.365   85.952   85.450
LGA    L   116_A      L   116_A     1.077     0    0.038   1.041     2.591   81.429   75.238
LGA    K   117_A      K   117_A     1.248     0    0.004   0.804     5.612   83.690   64.339
LGA    T   118_A      T   118_A     0.695     0    0.056   0.078     1.225   88.214   89.184
LGA    I   119_A      I   119_A     0.730     0    0.060   0.096     1.462   85.952   87.083
LGA    G   120_A      G   120_A     1.848     0    0.084   0.084     2.452   70.952   70.952

# 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):     0.762          0.756                  1.406           93.384   84.979

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0    104    0.76    96.635    98.524    12.059

LGA_LOCAL      RMSD:   0.762  Number of atoms:  104  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.762  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   0.762  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.415985 * X  +   0.841282 * Y  +   0.345254 * Z  +   0.842458
  Y_new =   0.465588 * X  +   0.523160 * Y  +  -0.713815 * Z  +   3.040015
  Z_new =  -0.781143 * X  +  -0.136190 * Y  +  -0.609318 * Z  +  -2.578588 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.299987  0.896494 -2.921695   [DEG:  131.7796   51.3653 -167.4008 ]
ZXZ:  0.450503  2.225996 -1.743408   [DEG:   25.8119  127.5402  -99.8899 ]
 
# END of job
