
#######################################################
#                                                     #
#                        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        2.88     2.88
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       3_A - 95_A        1.88     3.02
  LONGEST_CONTINUOUS_SEGMENT:    91       4_A - 96_A        1.96     2.96
  LONGEST_CONTINUOUS_SEGMENT:    91       5_A - 97_A        1.92     2.95
  LCS_AVERAGE:     92.38

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47       9_A - 55_A        0.99     3.05
  LCS_AVERAGE:     39.72

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      3   43   96      3    3    4    7   16   20   21   29   44   72   81   88   91   93   93   95   95   96   96   96 
LCS_GDT     K     3_A     K     3_A      3   91   96      3    3   10   19   32   55   74   85   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     E     4_A     E     4_A      3   91   96      3    3    4    7   26   48   62   77   87   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R     5_A     R     5_A     39   91   96      3    5   12   36   53   83   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A     6_A     A     6_A     43   91   96      3   39   49   73   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L     7_A     L     7_A     43   91   96     25   50   70   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     T     8_A     T     8_A     43   91   96     26   50   72   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L     9_A     L     9_A     47   91   96     21   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     E    10_A     E    10_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    11_A     A    11_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    12_A     L    12_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R    13_A     R    13_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     V    14_A     V    14_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     M    15_A     M    15_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     D    16_A     D    16_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    17_A     A    17_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     I    18_A     I    18_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     D    19_A     D    19_A     47   91   96     28   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R    20_A     R    20_A     47   91   96     28   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R    21_A     R    21_A     47   91   96     27   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     G    22_A     G    22_A     47   91   96     28   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     S    23_A     S    23_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     F    24_A     F    24_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    25_A     A    25_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    26_A     A    26_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    27_A     A    27_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    28_A     A    28_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     D    29_A     D    29_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     E    30_A     E    30_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    31_A     L    31_A     47   91   96     27   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     G    32_A     G    32_A     47   91   96     27   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R    33_A     R    33_A     47   91   96     19   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     V    34_A     V    34_A     47   91   96     19   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     P    35_A     P    35_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     S    36_A     S    36_A     47   91   96     27   50   76   81   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    37_A     A    37_A     47   91   96     27   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    38_A     L    38_A     47   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     S    39_A     S    39_A     47   91   96     18   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     Y    40_A     Y    40_A     47   91   96     21   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     T    41_A     T    41_A     47   91   96     21   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     M    42_A     M    42_A     47   91   96     14   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     Q    43_A     Q    43_A     47   91   96     14   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     K    44_A     K    44_A     47   91   96     14   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    45_A     L    45_A     47   91   96     14   44   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     E    46_A     E    46_A     47   91   96     14   41   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     E    47_A     E    47_A     47   91   96     14   43   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     E    48_A     E    48_A     47   91   96     14   37   70   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    49_A     L    49_A     47   91   96     14   37   72   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     D    50_A     D    50_A     47   91   96     12   49   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     V    51_A     V    51_A     47   91   96     10   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     V    52_A     V    52_A     47   91   96     12   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    53_A     L    53_A     47   91   96      8   49   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     F    54_A     F    54_A     47   91   96      8   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     D    55_A     D    55_A     47   91   96      4   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R    56_A     R    56_A     39   91   96      6   18   35   76   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     S    57_A     S    57_A     27   91   96      3    3    3   20   26   82   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R    60_A     R    60_A     34   91   96     11   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     T    61_A     T    61_A     34   91   96     18   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     K    62_A     K    62_A     34   91   96     18   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     F    63_A     F    63_A     34   91   96     17   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     T    64_A     T    64_A     34   91   96     17   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     N    65_A     N    65_A     34   91   96     17   49   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     V    66_A     V    66_A     34   91   96     17   49   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     G    67_A     G    67_A     34   91   96     10   41   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R    68_A     R    68_A     34   91   96     11   41   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     M    69_A     M    69_A     34   91   96     11   42   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    70_A     L    70_A     34   91   96     11   41   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    71_A     L    71_A     34   91   96     11   47   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     E    72_A     E    72_A     34   91   96      7   43   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R    73_A     R    73_A     34   91   96     28   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     G    74_A     G    74_A     34   91   96     11   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R    75_A     R    75_A     34   91   96     21   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     V    76_A     V    76_A     34   91   96     21   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    77_A     L    77_A     34   91   96     21   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    78_A     L    78_A     34   91   96     27   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     E    79_A     E    79_A     34   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    80_A     A    80_A     34   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    81_A     A    81_A     34   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     D    82_A     D    82_A     34   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     K    83_A     K    83_A     34   91   96     27   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    84_A     L    84_A     34   91   96     27   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     T    85_A     T    85_A     34   91   96     28   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     T    86_A     T    86_A     34   91   96     27   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     D    87_A     D    87_A     34   91   96     19   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    88_A     A    88_A     34   91   96     12   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     E    89_A     E    89_A     34   91   96     10   50   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    90_A     A    90_A     34   91   96     17   51   76   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    91_A     L    91_A     34   91   96      7   16   58   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     A    92_A     A    92_A     34   91   96      8   20   37   77   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     R    93_A     R    93_A     34   91   96      7   22   58   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     L    94_A     L    94_A     34   91   96      7   21   59   82   85   86   87   87   88   90   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     E    95_A     E    95_A      3   91   96      3    3    4    4   39   74   76   85   87   89   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     H    96_A     H    96_A      4   91   96      3    4   19   30   42   56   65   78   84   87   88   93   93   93   93   95   95   96   96   96 
LCS_GDT     H    97_A     H    97_A      4   91   96      3    4   28   34   63   72   80   83   85   87   90   93   93   93   93   95   95   96   96   96 
LCS_GDT     H    98_A     H    98_A      4    4   96      3    4    4    5    5    6    8   71   79   82   84   87   88   92   93   95   95   96   96   96 
LCS_GDT     H    99_A     H    99_A      4    4   96      3    4    4    5    5    6    8   10   11   13   17   83   87   89   93   94   95   96   96   96 
LCS_AVERAGE  LCS_A:  77.37  (  39.72   92.38  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     28     51     76     82     85     86     87     87     88     90     90     93     93     93     93     95     95     96     96     96 
GDT PERCENT_AT  29.17  53.12  79.17  85.42  88.54  89.58  90.62  90.62  91.67  93.75  93.75  96.88  96.88  96.88  96.88  98.96  98.96 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.69   0.95   1.09   1.17   1.19   1.31   1.29   1.40   1.74   1.74   2.20   2.20   2.20   2.20   2.68   2.68   2.88   2.88   2.88
GDT RMS_ALL_AT   3.06   2.99   3.04   3.09   3.07   3.08   3.08   3.07   3.06   3.06   3.06   2.92   2.92   2.92   2.92   2.89   2.89   2.88   2.88   2.88

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  E    30_A      E    30_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    48_A      E    48_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    12.000     0    0.583   0.577    12.901    0.000    0.000
LGA    K     3_A      K     3_A     7.109     0    0.606   1.183     8.545    9.048   18.095
LGA    E     4_A      E     4_A     8.210     0    0.336   1.033    10.133    8.214    4.550
LGA    R     5_A      R     5_A     5.260     0    0.666   0.949    10.764   35.833   17.013
LGA    A     6_A      A     6_A     2.832     0    0.602   0.602     5.576   55.357   48.571
LGA    L     7_A      L     7_A     1.944     0    0.115   0.128     2.665   70.833   67.857
LGA    T     8_A      T     8_A     1.499     0    0.046   0.054     1.597   79.286   77.755
LGA    L     9_A      L     9_A     1.186     0    0.040   1.461     4.597   85.952   71.369
LGA    E    10_A      E    10_A     0.691     0    0.034   1.601     6.362   92.857   69.577
LGA    A    11_A      A    11_A     0.694     0    0.035   0.039     0.751   90.476   90.476
LGA    L    12_A      L    12_A     0.862     0    0.049   1.050     3.569   90.476   81.250
LGA    R    13_A      R    13_A     0.398     0    0.029   0.489     3.153   95.238   81.126
LGA    V    14_A      V    14_A     0.468     0    0.027   1.197     3.130   95.238   83.742
LGA    M    15_A      M    15_A     1.015     0    0.031   0.615     1.181   83.690   84.821
LGA    D    16_A      D    16_A     1.091     0    0.029   0.395     2.405   83.690   79.464
LGA    A    17_A      A    17_A     0.905     0    0.028   0.041     1.011   88.214   88.667
LGA    I    18_A      I    18_A     1.025     0    0.031   0.626     1.317   83.690   83.690
LGA    D    19_A      D    19_A     1.437     0    0.033   0.431     2.542   77.143   76.310
LGA    R    20_A      R    20_A     1.440     0    0.033   1.162     3.255   77.143   76.320
LGA    R    21_A      R    21_A     1.547     0    0.150   1.309     4.811   77.143   62.511
LGA    G    22_A      G    22_A     1.566     0    0.063   0.063     1.566   77.143   77.143
LGA    S    23_A      S    23_A     0.571     0    0.031   0.565     2.053   90.476   87.778
LGA    F    24_A      F    24_A     0.562     0    0.038   0.227     1.261   95.238   92.294
LGA    A    25_A      A    25_A     0.472     0    0.037   0.053     0.630   97.619   96.190
LGA    A    26_A      A    26_A     0.702     0    0.044   0.046     1.003   90.476   88.667
LGA    A    27_A      A    27_A     0.581     0    0.024   0.041     0.631   92.857   92.381
LGA    A    28_A      A    28_A     0.180     0    0.027   0.038     0.491  100.000  100.000
LGA    D    29_A      D    29_A     0.434     0    0.031   0.745     2.599   95.238   84.464
LGA    E    30_A      E    30_A     0.774     0    0.033   0.536     2.108   90.476   85.608
LGA    L    31_A      L    31_A     0.814     0    0.117   0.127     1.233   88.214   89.345
LGA    G    32_A      G    32_A     1.052     0    0.071   0.071     1.142   83.690   83.690
LGA    R    33_A      R    33_A     1.003     0    0.031   1.042     5.261   88.214   69.221
LGA    V    34_A      V    34_A     1.036     0    0.020   0.081     1.463   85.952   84.014
LGA    P    35_A      P    35_A     0.785     0    0.036   0.353     2.027   90.476   84.218
LGA    S    36_A      S    36_A     1.325     0    0.152   0.195     2.692   85.952   78.968
LGA    A    37_A      A    37_A     0.851     0    0.036   0.040     0.996   92.857   92.381
LGA    L    38_A      L    38_A     0.915     0    0.048   0.848     2.397   90.476   83.869
LGA    S    39_A      S    39_A     0.740     0    0.031   0.038     0.871   90.476   90.476
LGA    Y    40_A      Y    40_A     0.354     0    0.035   0.112     0.665  100.000   98.413
LGA    T    41_A      T    41_A     0.401     0    0.030   0.058     0.510   97.619   98.639
LGA    M    42_A      M    42_A     0.797     0    0.029   0.808     1.987   90.476   87.143
LGA    Q    43_A      Q    43_A     0.767     0    0.045   0.732     2.698   88.214   74.656
LGA    K    44_A      K    44_A     0.884     0    0.032   0.633     2.422   85.952   82.751
LGA    L    45_A      L    45_A     1.338     0    0.041   1.081     3.975   79.286   74.524
LGA    E    46_A      E    46_A     1.409     0    0.040   0.622     1.582   79.286   82.487
LGA    E    47_A      E    47_A     1.452     0    0.025   1.021     3.571   77.143   71.481
LGA    E    48_A      E    48_A     1.903     0    0.081   0.883     5.110   72.857   53.598
LGA    L    49_A      L    49_A     1.838     0    0.130   0.165     2.549   77.143   71.012
LGA    D    50_A      D    50_A     1.176     0    0.107   1.092     4.815   83.810   69.405
LGA    V    51_A      V    51_A     0.996     0    0.058   0.148     1.922   81.548   79.048
LGA    V    52_A      V    52_A     0.862     0    0.018   0.981     3.050   90.476   82.109
LGA    L    53_A      L    53_A     1.107     0    0.089   0.908     2.186   85.952   79.464
LGA    F    54_A      F    54_A     0.941     0    0.031   1.428     4.690   85.952   74.113
LGA    D    55_A      D    55_A     1.090     0    0.055   1.184     3.951   83.690   76.726
LGA    R    56_A      R    56_A     2.664     0    0.558   0.868     7.711   59.167   44.026
LGA    S    57_A      S    57_A     4.679     0    0.111   0.563     6.364   26.786   24.286
LGA    R    60_A      R    60_A     0.981     6    0.058   0.084     2.057   81.786   38.831
LGA    T    61_A      T    61_A     0.326     0    0.061   1.217     2.760   97.619   86.122
LGA    K    62_A      K    62_A     0.432     0    0.079   1.071     5.947   97.619   75.714
LGA    F    63_A      F    63_A     0.883     0    0.041   0.121     0.920   90.476   90.476
LGA    T    64_A      T    64_A     0.965     0    0.066   1.081     3.137   85.952   77.347
LGA    N    65_A      N    65_A     1.282     0    0.053   1.127     2.768   81.429   76.310
LGA    V    66_A      V    66_A     1.421     0    0.037   0.130     1.585   77.143   77.755
LGA    G    67_A      G    67_A     1.507     0    0.024   0.024     1.567   77.143   77.143
LGA    R    68_A      R    68_A     1.490     0    0.075   1.521     5.011   81.429   65.931
LGA    M    69_A      M    69_A     1.522     0    0.024   1.004     2.727   75.000   72.024
LGA    L    70_A      L    70_A     1.627     0    0.044   1.040     2.992   77.143   76.310
LGA    L    71_A      L    71_A     1.224     0    0.065   1.109     2.949   83.690   78.571
LGA    E    72_A      E    72_A     1.247     0    0.051   0.151     3.518   83.690   70.000
LGA    R    73_A      R    73_A     1.200     0    0.090   1.136     3.235   88.214   74.978
LGA    G    74_A      G    74_A     0.832     0    0.088   0.088     0.832   90.476   90.476
LGA    R    75_A      R    75_A     0.574     0    0.046   0.261     0.757   90.476   92.208
LGA    V    76_A      V    76_A     0.602     0    0.029   1.126     2.837   90.476   82.313
LGA    L    77_A      L    77_A     0.683     0    0.036   1.390     4.458   90.476   76.548
LGA    L    78_A      L    78_A     0.341     0    0.032   0.108     0.520   97.619   97.619
LGA    E    79_A      E    79_A     0.643     0    0.031   0.284     1.527   90.476   88.519
LGA    A    80_A      A    80_A     0.746     0    0.071   0.070     0.746   90.476   90.476
LGA    A    81_A      A    81_A     0.574     0    0.036   0.045     0.719   90.476   92.381
LGA    D    82_A      D    82_A     0.742     0    0.060   1.224     5.142   90.476   72.321
LGA    K    83_A      K    83_A     1.147     0    0.041   1.272     6.983   85.952   65.767
LGA    L    84_A      L    84_A     0.746     0    0.035   0.947     3.254   90.476   78.988
LGA    T    85_A      T    85_A     0.503     0    0.052   1.124     2.785   92.857   82.313
LGA    T    86_A      T    86_A     1.065     0    0.039   1.151     3.912   88.214   76.395
LGA    D    87_A      D    87_A     0.831     0    0.046   1.198     5.889   90.476   68.929
LGA    A    88_A      A    88_A     0.966     0    0.032   0.044     1.303   88.214   86.857
LGA    E    89_A      E    89_A     1.030     0    0.045   1.019     2.118   88.214   83.651
LGA    A    90_A      A    90_A     0.820     0    0.042   0.050     1.690   85.952   83.333
LGA    L    91_A      L    91_A     2.426     0    0.048   1.118     4.478   64.881   56.726
LGA    A    92_A      A    92_A     2.621     0    0.044   0.048     2.784   60.952   60.190
LGA    R    93_A      R    93_A     2.058     0    0.095   1.003     3.576   64.881   60.173
LGA    L    94_A      L    94_A     2.198     0    0.140   1.460     7.304   62.976   41.012
LGA    E    95_A      E    95_A     6.728     0    0.271   1.268    13.300   15.833    7.407
LGA    H    96_A      H    96_A     8.823     0    0.426   1.367    12.581    4.405    1.762
LGA    H    97_A      H    97_A     8.182     0    0.137   1.270    10.676    3.452    4.000
LGA    H    98_A      H    98_A    11.539     0    0.067   0.776    13.664    0.000    0.000
LGA    H    99_A      H    99_A    12.096     0    0.049   1.287    14.388    0.000    1.143

# 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):     2.880          2.891                  3.523           77.481   71.112

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     87    1.29    82.031    88.086     6.257

LGA_LOCAL      RMSD:   1.290  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.069  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.880  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.491952 * X  +  -0.722115 * Y  +   0.486346 * Z  +  30.397303
  Y_new =   0.684162 * X  +  -0.666121 * Y  +  -0.296993 * Z  +  61.886192
  Z_new =   0.538429 * X  +   0.186633 * Y  +   0.821744 * Z  + -13.608672 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.194199 -0.568571  0.223330   [DEG:  125.7183  -32.5767   12.7959 ]
ZXZ:  1.022574  0.606332  1.237131   [DEG:   58.5892   34.7403   70.8824 ]
 
# END of job
