
#######################################################
#                                                     #
#                        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   97 (  765),  selected   97 , name one
# Molecule2: number of CA atoms  106 (  830),  selected   97 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97       3_B - 99_B        2.67     2.67
  LCS_AVERAGE:     91.51

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       3_B - 82_B        1.70     2.86
  LCS_AVERAGE:     63.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       4_B - 79_B        0.98     2.97
  LONGEST_CONTINUOUS_SEGMENT:    76       5_B - 80_B        0.98     2.97
  LCS_AVERAGE:     58.43

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     V     3_B     V     3_B      8   80   97      3    7   12   46   57   78   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S     4_B     S     4_B     76   80   97      5   15   51   75   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     D     5_B     D     5_B     76   80   97      8   32   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     V     6_B     V     6_B     76   80   97     47   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     P     7_B     P     7_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     R     8_B     R     8_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     D     9_B     D     9_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     L    10_B     L    10_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     E    11_B     E    11_B     76   80   97     50   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     V    12_B     V    12_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     V    13_B     V    13_B     76   80   97      3    6   69   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     A    14_B     A    14_B     76   80   97      3    6   28   48   85   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     A    15_B     A    15_B     76   80   97      3    6   49   80   83   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     T    16_B     T    16_B     76   80   97      4   57   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     P    17_B     P    17_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     T    18_B     T    18_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S    19_B     S    19_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     L    20_B     L    20_B     76   80   97     11   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     L    21_B     L    21_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     I    22_B     I    22_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S    23_B     S    23_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     W    24_B     W    24_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     D    25_B     D    25_B     76   80   97     46   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     A    26_B     A    26_B     76   80   97     36   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     P    27_B     P    27_B     76   80   97      5   60   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     P    28_B     P    28_B     76   80   97      5   18   69   81   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    29_B     Y    29_B     76   80   97     11   69   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    30_B     Y    30_B     76   80   97     42   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     V    31_B     V    31_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     R    32_B     R    32_B     76   80   97     25   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    33_B     Y    33_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    34_B     Y    34_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     R    35_B     R    35_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     I    36_B     I    36_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     T    37_B     T    37_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    38_B     Y    38_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     G    39_B     G    39_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     E    40_B     E    40_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     T    41_B     T    41_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     G    42_B     G    42_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     G    43_B     G    43_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     N    44_B     N    44_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S    45_B     S    45_B     76   80   97     54   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     P    46_B     P    46_B     76   80   97      4   28   76   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     V    47_B     V    47_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Q    48_B     Q    48_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     E    49_B     E    49_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     F    50_B     F    50_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     T    51_B     T    51_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     V    52_B     V    52_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     P    53_B     P    53_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     G    54_B     G    54_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S    55_B     S    55_B     76   80   97     49   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     K    56_B     K    56_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S    57_B     S    57_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     T    58_B     T    58_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     A    59_B     A    59_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     T    60_B     T    60_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     I    61_B     I    61_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S    62_B     S    62_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     G    63_B     G    63_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     L    64_B     L    64_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     K    65_B     K    65_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     P    66_B     P    66_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     G    67_B     G    67_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     V    68_B     V    68_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     D    69_B     D    69_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    70_B     Y    70_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     T    71_B     T    71_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     I    72_B     I    72_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     T    73_B     T    73_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     V    74_B     V    74_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    75_B     Y    75_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     A    76_B     A    76_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     E    77_B     E    77_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     H    78_B     H    78_B     76   80   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     P    79_B     P    79_B     76   80   97      4   68   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    80_B     Y    80_B     76   80   97      3   13   33   79   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    81_B     Y    81_B      4   80   97      3    4    5   39   55   65   83   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     D    82_B     D    82_B      4   80   97      3    3    8   13   20   31   60   67   81   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     P    83_B     P    83_B      4    8   97      3    3    5    6    9   16   20   32   41   78   87   90   95   97   97   97   97   97   97   97 
LCS_GDT     S    84_B     S    84_B      3    6   97      3    3    4    5    5    6    7   10   60   86   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S    85_B     S    85_B      3    6   97      3    3    3    5    5    6   11   15   19   55   73   91   95   97   97   97   97   97   97   97 
LCS_GDT     S    86_B     S    86_B      3    6   97      3    3    4    8   10   21   45   74   85   90   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    87_B     Y    87_B      3    6   97      3    3    4    5    5    6   10   22   27   52   73   90   95   97   97   97   97   97   97   97 
LCS_GDT     Y    88_B     Y    88_B      3   12   97      3    3    5   10   31   44   60   82   87   90   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     F    89_B     F    89_B     11   12   97     22   74   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S    90_B     S    90_B     11   12   97     54   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S    91_B     S    91_B     11   12   97     54   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     K    92_B     K    92_B     11   12   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     P    93_B     P    93_B     11   12   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     I    94_B     I    94_B     11   12   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     S    95_B     S    95_B     11   12   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     I    96_B     I    96_B     11   12   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     N    97_B     N    97_B     11   12   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     Y    98_B     Y    98_B     11   12   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_GDT     R    99_B     R    99_B     11   12   97     55   75   79   82   86   87   88   90   90   91   92   94   95   97   97   97   97   97   97   97 
LCS_AVERAGE  LCS_A:  71.30  (  58.43   63.96   91.51 )

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     55     75     79     82     86     87     88     90     90     91     92     94     95     97     97     97     97     97     97     97 
GDT PERCENT_AT  51.89  70.75  74.53  77.36  81.13  82.08  83.02  84.91  84.91  85.85  86.79  88.68  89.62  91.51  91.51  91.51  91.51  91.51  91.51  91.51
GDT RMS_LOCAL    0.30   0.44   0.56   0.66   0.89   0.95   1.00   1.29   1.29   1.61   1.80   2.15   2.29   2.67   2.67   2.67   2.67   2.67   2.67   2.67
GDT RMS_ALL_AT   2.91   2.91   2.91   2.92   2.96   2.96   2.95   2.92   2.92   2.84   2.79   2.71   2.69   2.67   2.67   2.67   2.67   2.67   2.67   2.67

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  Y    88_B      Y    88_B
#   possible swapping detected:  F    89_B      F    89_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V     3_B      V     3_B     4.643     0    0.155   0.319     6.353   39.524   35.714
LGA    S     4_B      S     4_B     2.911     0    0.031   0.613     3.795   51.905   50.159
LGA    D     5_B      D     5_B     1.880     0    0.433   1.270     3.104   65.119   71.429
LGA    V     6_B      V     6_B     0.495     0    0.074   1.035     2.955   97.619   86.122
LGA    P     7_B      P     7_B     0.113     0    0.093   0.150     0.699  100.000   98.639
LGA    R     8_B      R     8_B     0.343     0    0.046   1.215     3.187   97.619   80.130
LGA    D     9_B      D     9_B     0.635     0    0.030   0.987     4.842   90.476   71.012
LGA    L    10_B      L    10_B     0.421     0    0.109   0.104     0.465  100.000  100.000
LGA    E    11_B      E    11_B     0.526     0    0.031   0.886     2.168   95.238   83.862
LGA    V    12_B      V    12_B     0.491     0    0.030   0.111     1.747   92.976   85.578
LGA    V    13_B      V    13_B     2.364     0    0.606   0.596     4.366   60.119   58.912
LGA    A    14_B      A    14_B     3.106     0    0.057   0.054     5.351   57.500   51.238
LGA    A    15_B      A    15_B     3.150     0    0.678   0.623     5.586   57.500   50.286
LGA    T    16_B      T    16_B     1.489     0    0.049   1.054     3.010   79.286   72.245
LGA    P    17_B      P    17_B     0.351     0    0.146   0.402     1.089   97.619   93.265
LGA    T    18_B      T    18_B     0.182     0    0.032   0.124     0.267  100.000  100.000
LGA    S    19_B      S    19_B     0.216     0    0.032   0.611     1.727   95.238   90.714
LGA    L    20_B      L    20_B     0.873     0    0.140   0.863     2.641   92.857   84.107
LGA    L    21_B      L    21_B     0.530     0    0.038   0.090     1.464   92.857   88.274
LGA    I    22_B      I    22_B     0.650     0    0.028   0.064     0.749   90.476   90.476
LGA    S    23_B      S    23_B     0.413     0    0.041   0.675     2.375  100.000   94.127
LGA    W    24_B      W    24_B     0.469     0    0.052   0.112     0.789   95.238   91.837
LGA    D    25_B      D    25_B     0.948     0    0.048   0.231     1.126   90.476   89.345
LGA    A    26_B      A    26_B     0.921     0    0.016   0.022     1.444   85.952   85.048
LGA    P    27_B      P    27_B     1.659     0    0.028   0.084     1.745   75.000   76.531
LGA    P    28_B      P    28_B     2.669     0    0.437   0.409     4.466   54.048   52.517
LGA    Y    29_B      Y    29_B     1.818     0    0.151   1.270     8.921   70.833   44.921
LGA    Y    30_B      Y    30_B     1.012     0    0.124   0.411     1.213   85.952   87.500
LGA    V    31_B      V    31_B     0.777     0    0.027   0.081     0.895   90.476   91.837
LGA    R    32_B      R    32_B     1.079     0    0.046   0.172     2.951   85.952   72.641
LGA    Y    33_B      Y    33_B     0.828     0    0.057   1.279     7.027   90.476   63.135
LGA    Y    34_B      Y    34_B     0.424     0    0.051   0.103     0.646   95.238   98.413
LGA    R    35_B      R    35_B     0.281     0    0.014   0.733     2.839  100.000   92.684
LGA    I    36_B      I    36_B     0.330     0    0.015   0.120     0.775  100.000   98.810
LGA    T    37_B      T    37_B     0.202     0    0.020   0.136     0.705  100.000   97.279
LGA    Y    38_B      Y    38_B     0.188     0    0.034   0.071     0.746  100.000   97.619
LGA    G    39_B      G    39_B     0.218     0    0.014   0.014     0.243  100.000  100.000
LGA    E    40_B      E    40_B     0.093     0    0.060   0.553     2.397  100.000   84.339
LGA    T    41_B      T    41_B     0.322     0    0.134   0.177     0.691   97.619   98.639
LGA    G    42_B      G    42_B     0.176     0    0.201   0.201     0.972   97.619   97.619
LGA    G    43_B      G    43_B     0.426     0    0.068   0.068     0.564   97.619   97.619
LGA    N    44_B      N    44_B     0.539     3    0.094   0.091     1.029   88.214   56.607
LGA    S    45_B      S    45_B     0.694     0    0.111   0.604     2.467   92.857   87.778
LGA    P    46_B      P    46_B     1.965     0    0.098   0.348     3.892   77.143   67.687
LGA    V    47_B      V    47_B     0.589     0    0.067   0.135     1.499   88.214   87.891
LGA    Q    48_B      Q    48_B     0.509     0    0.015   1.269     4.189   97.619   81.270
LGA    E    49_B      E    49_B     0.323     0    0.052   0.502     1.426   97.619   92.646
LGA    F    50_B      F    50_B     0.225     0    0.035   0.072     0.370  100.000  100.000
LGA    T    51_B      T    51_B     0.193     0    0.022   0.073     0.515   97.619   98.639
LGA    V    52_B      V    52_B     0.549     0    0.035   1.304     3.175   95.238   83.742
LGA    P    53_B      P    53_B     0.548     0    0.041   0.092     0.673   90.476   90.476
LGA    G    54_B      G    54_B     0.629     0    0.054   0.054     1.093   88.214   88.214
LGA    S    55_B      S    55_B     1.172     0    0.072   0.071     1.488   88.214   85.952
LGA    K    56_B      K    56_B     0.614     0    0.083   0.905     4.122   90.476   77.090
LGA    S    57_B      S    57_B     0.729     0    0.038   0.094     0.943   90.476   90.476
LGA    T    58_B      T    58_B     0.506     0    0.044   0.068     0.900   95.238   93.197
LGA    A    59_B      A    59_B     0.501     0    0.093   0.114     0.721   92.857   94.286
LGA    T    60_B      T    60_B     0.377     0    0.029   0.078     0.457  100.000  100.000
LGA    I    61_B      I    61_B     0.394     0    0.065   0.146     0.570   97.619   98.810
LGA    S    62_B      S    62_B     0.566     0    0.029   0.665     1.686   95.238   90.714
LGA    G    63_B      G    63_B     0.473     0    0.121   0.121     0.518   95.238   95.238
LGA    L    64_B      L    64_B     0.479     0    0.089   0.110     0.751   95.238   96.429
LGA    K    65_B      K    65_B     0.560     2    0.048   0.087     0.868   95.238   72.487
LGA    P    66_B      P    66_B     0.465     0    0.073   0.116     0.841  100.000   95.918
LGA    G    67_B      G    67_B     0.554     0    0.073   0.073     0.554   95.238   95.238
LGA    V    68_B      V    68_B     0.510     0    0.065   0.100     0.737   92.857   91.837
LGA    D    69_B      D    69_B     0.206     0    0.056   0.136     0.945  100.000   97.619
LGA    Y    70_B      Y    70_B     0.252     0    0.044   0.191     1.024  100.000   94.484
LGA    T    71_B      T    71_B     0.269     0    0.032   0.137     0.458  100.000  100.000
LGA    I    72_B      I    72_B     0.256     0    0.025   0.332     1.270  100.000   97.679
LGA    T    73_B      T    73_B     0.245     0    0.039   0.074     0.266  100.000  100.000
LGA    V    74_B      V    74_B     0.237     0    0.021   0.063     0.319  100.000  100.000
LGA    Y    75_B      Y    75_B     0.333     0    0.019   0.084     0.562  100.000   99.206
LGA    A    76_B      A    76_B     0.684     0    0.076   0.075     1.027   88.214   88.667
LGA    E    77_B      E    77_B     0.960     0    0.047   0.743     4.544   90.476   74.709
LGA    H    78_B      H    78_B     0.818     0    0.497   1.170     5.634   82.143   62.476
LGA    P    79_B      P    79_B     2.109     0    0.218   0.361     6.425   69.286   51.020
LGA    Y    80_B      Y    80_B     2.700     0    0.657   1.198    13.513   58.690   26.071
LGA    Y    81_B      Y    81_B     5.985     0    0.467   1.448     8.684   18.690   21.190
LGA    D    82_B      D    82_B     9.506     0    0.657   0.946     9.988    2.381    1.429
LGA    P    83_B      P    83_B    11.936     0    0.217   0.273    15.030    0.000    0.000
LGA    S    84_B      S    84_B     9.713     0    0.275   0.271    10.896    0.357    0.556
LGA    S    85_B      S    85_B     9.108     0    0.533   0.801     9.269    2.500    2.698
LGA    S    86_B      S    86_B     8.659     0    0.680   0.597     9.862    3.333    2.778
LGA    Y    87_B      Y    87_B    11.076     0    0.620   1.523    21.081    0.000    0.000
LGA    Y    88_B      Y    88_B     8.439     0    0.625   0.894    15.186   11.548    3.889
LGA    F    89_B      F    89_B     1.594     0    0.679   1.414     7.144   66.071   47.749
LGA    S    90_B      S    90_B     0.639     0    0.061   0.565     1.834   88.214   86.032
LGA    S    91_B      S    91_B     0.811     0    0.086   0.090     0.839   90.476   90.476
LGA    K    92_B      K    92_B     0.693     0    0.070   0.099     1.726   90.476   84.550
LGA    P    93_B      P    93_B     0.323     0    0.028   0.101     0.496  100.000  100.000
LGA    I    94_B      I    94_B     0.208     0    0.035   0.065     0.342  100.000  100.000
LGA    S    95_B      S    95_B     0.253     0    0.033   0.633     1.644  100.000   93.889
LGA    I    96_B      I    96_B     0.242     0    0.054   1.219     2.753  100.000   84.881
LGA    N    97_B      N    97_B     0.212     0    0.026   0.109     0.315  100.000  100.000
LGA    Y    98_B      Y    98_B     0.177     0    0.059   0.149     0.668   97.619   99.206
LGA    R    99_B      R    99_B     0.336     3    0.078   0.477     2.398  100.000   66.926

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     757    757  100.00               106
SUMMARY(RMSD_GDC):     2.669          2.630                  3.490           76.076   71.183

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   97  106    4.0     90    1.29    81.132    77.719     6.476

LGA_LOCAL      RMSD:   1.290  Number of atoms:   90  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.923  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:   2.669  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.830790 * X  +   0.315393 * Y  +   0.458602 * Z  +   4.489368
  Y_new =  -0.096739 * X  +  -0.893237 * Y  +   0.439054 * Z  +   5.827611
  Z_new =   0.548115 * X  +   0.320397 * Y  +   0.772603 * Z  +  49.237194 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.025673 -0.580109  0.393112   [DEG: -173.3583  -33.2378   22.5237 ]
ZXZ:  2.334421  0.687865  1.041820   [DEG:  133.7525   39.4118   59.6919 ]
 
# END of job
