
#######################################################
#                                                     #
#                        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  101 (  800),  selected   96 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   96 , 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:    96       2_A - 99_A        2.35     2.35
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95       2_A - 98_A        1.95     2.36
  LCS_AVERAGE:     97.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92       3_A - 96_A        0.87     2.45
  LCS_AVERAGE:     92.93

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   96
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     A     2_A     A     2_A      4   95   96      0    3    4    4    4    6    6   16   60   81   86   93   93   93   93   93   94   95   95   95 
LCS_GDT     K     3_A     K     3_A     92   95   96      3    3    4    4    4    6   19   79   85   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     E     4_A     E     4_A     92   95   96     47   85   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R     5_A     R     5_A     92   95   96      4   82   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A     6_A     A     6_A     92   95   96     58   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L     7_A     L     7_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     T     8_A     T     8_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L     9_A     L     9_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     E    10_A     E    10_A     92   95   96     61   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    11_A     A    11_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    12_A     L    12_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R    13_A     R    13_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     V    14_A     V    14_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     M    15_A     M    15_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     D    16_A     D    16_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    17_A     A    17_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     I    18_A     I    18_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     D    19_A     D    19_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R    20_A     R    20_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R    21_A     R    21_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     G    22_A     G    22_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     S    23_A     S    23_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     F    24_A     F    24_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    25_A     A    25_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    26_A     A    26_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    27_A     A    27_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    28_A     A    28_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     D    29_A     D    29_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     E    30_A     E    30_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    31_A     L    31_A     92   95   96     60   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     G    32_A     G    32_A     92   95   96     43   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R    33_A     R    33_A     92   95   96     36   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     V    34_A     V    34_A     92   95   96     34   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     P    35_A     P    35_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     S    36_A     S    36_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    37_A     A    37_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    38_A     L    38_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     S    39_A     S    39_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     Y    40_A     Y    40_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     T    41_A     T    41_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     M    42_A     M    42_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     Q    43_A     Q    43_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     K    44_A     K    44_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    45_A     L    45_A     92   95   96     22   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     E    46_A     E    46_A     92   95   96     61   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     E    47_A     E    47_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     E    48_A     E    48_A     92   95   96     22   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    49_A     L    49_A     92   95   96     17   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     D    50_A     D    50_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     V    51_A     V    51_A     92   95   96     60   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     V    52_A     V    52_A     92   95   96     61   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    53_A     L    53_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     F    54_A     F    54_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     D    55_A     D    55_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R    56_A     R    56_A     92   95   96      3   80   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     S    57_A     S    57_A     92   95   96     47   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R    60_A     R    60_A     92   95   96     47   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     T    61_A     T    61_A     92   95   96     63   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     K    62_A     K    62_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     F    63_A     F    63_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     T    64_A     T    64_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     N    65_A     N    65_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     V    66_A     V    66_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     G    67_A     G    67_A     92   95   96     63   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R    68_A     R    68_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     M    69_A     M    69_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    70_A     L    70_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    71_A     L    71_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     E    72_A     E    72_A     92   95   96     23   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R    73_A     R    73_A     92   95   96     47   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     G    74_A     G    74_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R    75_A     R    75_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     V    76_A     V    76_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    77_A     L    77_A     92   95   96     66   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    78_A     L    78_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     E    79_A     E    79_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    80_A     A    80_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    81_A     A    81_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     D    82_A     D    82_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     K    83_A     K    83_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    84_A     L    84_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     T    85_A     T    85_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     T    86_A     T    86_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     D    87_A     D    87_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    88_A     A    88_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     E    89_A     E    89_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    90_A     A    90_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    91_A     L    91_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     A    92_A     A    92_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     R    93_A     R    93_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     L    94_A     L    94_A     92   95   96     67   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     E    95_A     E    95_A     92   95   96     59   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     H    96_A     H    96_A     92   95   96     13   88   91   91   91   91   91   91   91   92   92   93   93   93   93   93   94   95   95   95 
LCS_GDT     H    97_A     H    97_A     90   95   96      3    4    4    4    5    5    7   10   18   27   85   92   92   93   93   93   94   95   95   95 
LCS_GDT     H    98_A     H    98_A      3   95   96      2    4    4    4    5    5    7    9   11   14   16   20   25   82   86   90   93   95   95   95 
LCS_GDT     H    99_A     H    99_A      3    3   96      0    3    3    3    5    5    7    8   11   13   15   16   17   22   25   35   48   84   91   95 
LCS_AVERAGE  LCS_A:  96.96  (  92.93   97.96  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     67     88     91     91     91     91     91     91     91     92     92     93     93     93     93     93     94     95     95     95 
GDT PERCENT_AT  69.79  91.67  94.79  94.79  94.79  94.79  94.79  94.79  94.79  95.83  95.83  96.88  96.88  96.88  96.88  96.88  97.92  98.96  98.96  98.96
GDT RMS_LOCAL    0.34   0.46   0.52   0.52   0.52   0.52   0.52   0.52   0.52   0.87   0.87   1.26   1.26   1.26   1.23   1.23   1.54   1.95   1.95   1.95
GDT RMS_ALL_AT   2.46   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.45   2.47   2.47   2.47   2.41   2.41   2.42   2.36   2.36   2.36

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  D    29_A      D    29_A
#   possible swapping detected:  E    30_A      E    30_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    95_A      E    95_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A     9.138     0    0.475   0.467    10.312    3.333    2.762
LGA    K     3_A      K     3_A     6.749     0    0.202   1.157    15.425   22.976   11.005
LGA    E     4_A      E     4_A     1.273     0    0.604   1.192     8.457   73.214   42.698
LGA    R     5_A      R     5_A     1.458     0    0.026   0.660     3.547   81.429   65.455
LGA    A     6_A      A     6_A     0.715     0    0.022   0.026     1.121   88.214   88.667
LGA    L     7_A      L     7_A     0.359     0    0.103   0.146     0.795   97.619   97.619
LGA    T     8_A      T     8_A     0.336     0    0.013   0.040     0.694  100.000   95.918
LGA    L     9_A      L     9_A     0.393     0    0.003   0.104     0.542  100.000   98.810
LGA    E    10_A      E    10_A     0.653     0    0.023   0.902     3.124   90.476   80.159
LGA    A    11_A      A    11_A     0.440     0    0.024   0.026     0.470  100.000  100.000
LGA    L    12_A      L    12_A     0.325     0    0.017   0.032     0.434  100.000  100.000
LGA    R    13_A      R    13_A     0.362     0    0.023   0.172     1.266  100.000   92.338
LGA    V    14_A      V    14_A     0.353     0    0.019   0.020     0.367  100.000  100.000
LGA    M    15_A      M    15_A     0.359     0    0.006   0.867     2.716  100.000   93.452
LGA    D    16_A      D    16_A     0.473     0    0.008   0.083     0.845  100.000   95.238
LGA    A    17_A      A    17_A     0.438     0    0.016   0.017     0.537  100.000   98.095
LGA    I    18_A      I    18_A     0.272     0    0.012   0.052     0.326  100.000  100.000
LGA    D    19_A      D    19_A     0.390     0    0.020   0.115     0.728  100.000   98.810
LGA    R    20_A      R    20_A     0.375     0    0.019   0.376     1.290  100.000   94.848
LGA    R    21_A      R    21_A     0.437     0    0.029   0.720     2.473  100.000   92.468
LGA    G    22_A      G    22_A     0.433     0    0.028   0.028     0.513   97.619   97.619
LGA    S    23_A      S    23_A     0.312     0    0.022   0.032     0.315  100.000  100.000
LGA    F    24_A      F    24_A     0.337     0    0.028   0.195     0.870  100.000   97.403
LGA    A    25_A      A    25_A     0.519     0    0.012   0.014     0.626   97.619   96.190
LGA    A    26_A      A    26_A     0.238     0    0.021   0.021     0.381  100.000  100.000
LGA    A    27_A      A    27_A     0.233     0    0.004   0.004     0.292  100.000  100.000
LGA    A    28_A      A    28_A     0.374     0    0.000   0.000     0.537   97.619   98.095
LGA    D    29_A      D    29_A     0.483     0    0.003   0.770     2.523   97.619   87.738
LGA    E    30_A      E    30_A     0.441     0    0.006   0.196     0.759   95.238   95.767
LGA    L    31_A      L    31_A     0.557     0    0.025   0.066     0.618   92.857   92.857
LGA    G    32_A      G    32_A     0.717     0    0.013   0.013     0.769   90.476   90.476
LGA    R    33_A      R    33_A     0.732     0    0.046   1.191     5.844   90.476   70.130
LGA    V    34_A      V    34_A     0.752     0    0.029   0.061     0.867   92.857   91.837
LGA    P    35_A      P    35_A     0.267     0    0.035   0.064     0.733   97.619   97.279
LGA    S    36_A      S    36_A     0.440     0    0.088   0.648     3.471  100.000   90.079
LGA    A    37_A      A    37_A     0.139     0    0.016   0.017     0.213  100.000  100.000
LGA    L    38_A      L    38_A     0.074     0    0.021   1.196     2.690  100.000   89.048
LGA    S    39_A      S    39_A     0.161     0    0.020   0.018     0.260  100.000  100.000
LGA    Y    40_A      Y    40_A     0.236     0    0.005   0.035     0.410  100.000  100.000
LGA    T    41_A      T    41_A     0.288     0    0.019   0.047     0.425  100.000  100.000
LGA    M    42_A      M    42_A     0.323     0    0.027   0.129     0.526   97.619   98.810
LGA    Q    43_A      Q    43_A     0.254     0    0.056   0.701     4.113  100.000   81.323
LGA    K    44_A      K    44_A     0.427     0    0.029   0.776     4.888   95.238   79.683
LGA    L    45_A      L    45_A     0.744     0    0.010   0.057     0.992   90.476   90.476
LGA    E    46_A      E    46_A     0.550     0    0.009   0.093     0.784   90.476   90.476
LGA    E    47_A      E    47_A     0.462     0    0.039   0.243     1.022   95.238   93.704
LGA    E    48_A      E    48_A     0.788     0    0.012   0.210     0.943   90.476   90.476
LGA    L    49_A      L    49_A     0.875     0    0.036   0.101     1.071   88.214   88.214
LGA    D    50_A      D    50_A     0.447     0    0.011   0.180     0.580   97.619   98.810
LGA    V    51_A      V    51_A     0.685     0    0.011   0.024     0.986   90.476   90.476
LGA    V    52_A      V    52_A     0.565     0    0.025   0.067     0.855   95.238   93.197
LGA    L    53_A      L    53_A     0.259     0    0.032   0.044     0.822  100.000   96.429
LGA    F    54_A      F    54_A     0.157     0    0.032   0.052     0.388  100.000  100.000
LGA    D    55_A      D    55_A     0.266     0    0.064   0.363     1.029   92.976   95.298
LGA    R    56_A      R    56_A     1.585     0    0.061   0.267     5.318   77.143   56.147
LGA    S    57_A      S    57_A     0.690     0    0.615   0.568     3.425   80.476   83.810
LGA    R    60_A      R    60_A     0.779     6    0.072   0.100     1.361   88.214   39.481
LGA    T    61_A      T    61_A     0.568     0    0.045   0.535     1.900   92.857   89.320
LGA    K    62_A      K    62_A     0.088     0    0.048   0.948     3.686  100.000   86.349
LGA    F    63_A      F    63_A     0.128     0    0.014   0.195     0.864  100.000   95.671
LGA    T    64_A      T    64_A     0.268     0    0.021   0.040     0.340  100.000  100.000
LGA    N    65_A      N    65_A     0.226     0    0.044   0.216     0.968  100.000   98.810
LGA    V    66_A      V    66_A     0.349     0    0.006   0.030     0.429  100.000  100.000
LGA    G    67_A      G    67_A     0.556     0    0.023   0.023     0.556   92.857   92.857
LGA    R    68_A      R    68_A     0.539     0    0.033   1.136     2.883   95.238   82.814
LGA    M    69_A      M    69_A     0.386     0    0.039   0.996     3.330   97.619   91.369
LGA    L    70_A      L    70_A     0.362     0    0.011   0.090     0.444  100.000  100.000
LGA    L    71_A      L    71_A     0.509     0    0.039   0.113     0.578   92.857   92.857
LGA    E    72_A      E    72_A     0.760     0    0.015   0.193     2.018   90.476   81.693
LGA    R    73_A      R    73_A     0.776     0    0.059   1.208     3.398   90.476   81.082
LGA    G    74_A      G    74_A     0.391     0    0.053   0.053     0.440  100.000  100.000
LGA    R    75_A      R    75_A     0.117     0    0.018   0.203     1.082  100.000   96.580
LGA    V    76_A      V    76_A     0.412     0    0.011   0.058     0.647  100.000   98.639
LGA    L    77_A      L    77_A     0.461     0    0.006   0.917     3.016  100.000   90.238
LGA    L    78_A      L    78_A     0.376     0    0.010   0.094     0.544  100.000   98.810
LGA    E    79_A      E    79_A     0.395     0    0.004   0.906     2.862  100.000   81.799
LGA    A    80_A      A    80_A     0.398     0    0.048   0.049     0.610  100.000   98.095
LGA    A    81_A      A    81_A     0.306     0    0.026   0.028     0.322  100.000  100.000
LGA    D    82_A      D    82_A     0.193     0    0.013   0.926     3.188  100.000   83.095
LGA    K    83_A      K    83_A     0.280     0    0.008   0.684     2.178  100.000   95.026
LGA    L    84_A      L    84_A     0.276     0    0.035   0.127     0.586  100.000   98.810
LGA    T    85_A      T    85_A     0.255     0    0.012   0.019     0.442  100.000  100.000
LGA    T    86_A      T    86_A     0.225     0    0.007   0.032     0.325  100.000  100.000
LGA    D    87_A      D    87_A     0.214     0    0.012   0.035     0.324  100.000  100.000
LGA    A    88_A      A    88_A     0.340     0    0.005   0.005     0.402  100.000  100.000
LGA    E    89_A      E    89_A     0.370     0    0.011   0.062     0.513  100.000   98.942
LGA    A    90_A      A    90_A     0.369     0    0.000   0.000     0.444  100.000  100.000
LGA    L    91_A      L    91_A     0.399     0    0.018   0.147     1.006  100.000   95.298
LGA    A    92_A      A    92_A     0.349     0    0.017   0.019     0.429  100.000  100.000
LGA    R    93_A      R    93_A     0.404     0    0.041   1.330     5.479   95.238   79.913
LGA    L    94_A      L    94_A     0.507     0    0.071   0.084     0.783   92.857   94.048
LGA    E    95_A      E    95_A     0.663     0    0.153   0.253     1.758   83.810   90.688
LGA    H    96_A      H    96_A     0.987     0    0.408   0.426     8.030   63.929   42.714
LGA    H    97_A      H    97_A     8.543     0    0.645   1.093    12.178    6.190    2.476
LGA    H    98_A      H    98_A    12.405     0    0.667   1.125    17.056    0.000    0.000
LGA    H    99_A      H    99_A    13.920     0    0.518   1.334    15.213    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       96     384    384  100.00     752    752  100.00                96
SUMMARY(RMSD_GDC):     2.348          2.377                  3.051           91.370   86.955

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     91    0.52    94.531    95.794    14.609

LGA_LOCAL      RMSD:   0.523  Number of atoms:   91  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.446  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.348  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.658275 * X  +  -0.671948 * Y  +   0.339351 * Z  +   0.505846
  Y_new =   0.707015 * X  +  -0.706653 * Y  +  -0.027772 * Z  +  18.484388
  Z_new =   0.258465 * X  +   0.221645 * Y  +   0.940250 * Z  +  14.004362 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.320511 -0.261433  0.231503   [DEG:  132.9555  -14.9790   13.2642 ]
ZXZ:  1.489141  0.347433  0.861939   [DEG:   85.3215   19.9065   49.3855 ]
 
# END of job
