
#######################################################
#                                                     #
#                        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        2.43     2.43
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       4_A - 99_A        1.98     2.45
  LCS_AVERAGE:     96.92

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41       7_A - 47_A        0.97     2.63
  LCS_AVERAGE:     36.47

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    4   96      3    3    3    3    3    4    6    6    6    7   50   63   66   73   81   91   96   96   96   96 
LCS_GDT     K     3_A     K     3_A      3   92   96      3    9   16   24   28   32   59   77   85   89   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     E     4_A     E     4_A      3   94   96      3    3    3   38   45   58   67   82   90   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R     5_A     R     5_A     39   94   96      3    9   34   56   64   82   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A     6_A     A     6_A     39   94   96      3    3   11   27   57   73   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L     7_A     L     7_A     41   94   96     23   45   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     T     8_A     T     8_A     41   94   96     23   46   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L     9_A     L     9_A     41   94   96     18   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    10_A     E    10_A     41   94   96     13   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    11_A     A    11_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    12_A     L    12_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    13_A     R    13_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    14_A     V    14_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     M    15_A     M    15_A     41   94   96     23   48   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    16_A     D    16_A     41   94   96     23   48   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    17_A     A    17_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     I    18_A     I    18_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    19_A     D    19_A     41   94   96     23   41   68   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    20_A     R    20_A     41   94   96     23   41   68   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    21_A     R    21_A     41   94   96     22   41   66   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     G    22_A     G    22_A     41   94   96     22   41   60   80   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     S    23_A     S    23_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     F    24_A     F    24_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    25_A     A    25_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    26_A     A    26_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    27_A     A    27_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    28_A     A    28_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    29_A     D    29_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    30_A     E    30_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    31_A     L    31_A     41   94   96     23   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     G    32_A     G    32_A     41   94   96     23   41   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    33_A     R    33_A     41   94   96     20   48   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    34_A     V    34_A     41   94   96     20   48   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     P    35_A     P    35_A     41   94   96     22   48   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     S    36_A     S    36_A     41   94   96     22   41   73   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    37_A     A    37_A     41   94   96     19   48   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    38_A     L    38_A     41   94   96     23   49   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     S    39_A     S    39_A     41   94   96     12   49   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     Y    40_A     Y    40_A     41   94   96     20   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     T    41_A     T    41_A     41   94   96     20   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     M    42_A     M    42_A     41   94   96     19   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     Q    43_A     Q    43_A     41   94   96     19   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     K    44_A     K    44_A     41   94   96     12   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    45_A     L    45_A     41   94   96     10   38   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    46_A     E    46_A     41   94   96     10   44   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    47_A     E    47_A     41   94   96     12   44   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    48_A     E    48_A     38   94   96     10   37   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    49_A     L    49_A     36   94   96     10   36   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    50_A     D    50_A     36   94   96     12   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    51_A     V    51_A     36   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    52_A     V    52_A     36   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    53_A     L    53_A     36   94   96      8   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     F    54_A     F    54_A     36   94   96     18   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    55_A     D    55_A     36   94   96      3   45   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    56_A     R    56_A     34   94   96      3    7   38   61   80   85   86   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     S    57_A     S    57_A     25   94   96      3    8   38   61   80   85   86   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    60_A     R    60_A     35   94   96      3    6   18   56   82   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     T    61_A     T    61_A     35   94   96     18   45   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     K    62_A     K    62_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     F    63_A     F    63_A     35   94   96     19   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     T    64_A     T    64_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     N    65_A     N    65_A     35   94   96     19   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    66_A     V    66_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     G    67_A     G    67_A     35   94   96     19   46   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    68_A     R    68_A     35   94   96     12   41   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     M    69_A     M    69_A     35   94   96     12   48   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    70_A     L    70_A     35   94   96     19   48   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    71_A     L    71_A     35   94   96      8   41   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    72_A     E    72_A     35   94   96      5   28   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    73_A     R    73_A     35   94   96     18   46   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     G    74_A     G    74_A     35   94   96     18   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    75_A     R    75_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     V    76_A     V    76_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    77_A     L    77_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    78_A     L    78_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    79_A     E    79_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    80_A     A    80_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    81_A     A    81_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    82_A     D    82_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     K    83_A     K    83_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    84_A     L    84_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     T    85_A     T    85_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     T    86_A     T    86_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     D    87_A     D    87_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    88_A     A    88_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    89_A     E    89_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    90_A     A    90_A     35   94   96     21   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    91_A     L    91_A     35   94   96     19   50   75   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     A    92_A     A    92_A     35   94   96     12   41   73   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     R    93_A     R    93_A     35   94   96      8   30   58   81   83   85   86   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     L    94_A     L    94_A     35   94   96      4   29   63   81   83   85   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     E    95_A     E    95_A      4   94   96      3    4    5    6   30   60   72   87   90   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     H    96_A     H    96_A      4   94   96      3    4    5    6    8   71   84   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     H    97_A     H    97_A      4   94   96      3    4    5    6   64   79   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     H    98_A     H    98_A      4   94   96      3    4   47   57   78   82   87   89   91   92   94   95   95   95   95   95   96   96   96   96 
LCS_GDT     H    99_A     H    99_A      3   94   96      3    3    4    6    6    8   10   73   87   92   94   95   95   95   95   95   96   96   96   96 
LCS_AVERAGE  LCS_A:  77.80  (  36.47   96.92  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     23     50     75     81     83     85     87     89     91     92     94     95     95     95     95     95     96     96     96     96 
GDT PERCENT_AT  23.96  52.08  78.12  84.38  86.46  88.54  90.62  92.71  94.79  95.83  97.92  98.96  98.96  98.96  98.96  98.96 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.68   0.94   1.05   1.09   1.21   1.44   1.49   1.65   1.75   1.98   2.14   2.14   2.14   2.14   2.14   2.43   2.43   2.43   2.43
GDT RMS_ALL_AT   2.98   2.61   2.59   2.59   2.60   2.61   2.50   2.54   2.50   2.48   2.45   2.44   2.44   2.44   2.44   2.44   2.43   2.43   2.43   2.43

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  D    55_A      D    55_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    11.953     0    0.327   0.310    13.395    0.000    0.000
LGA    K     3_A      K     3_A     8.555     0    0.695   1.127    12.037   10.952    4.974
LGA    E     4_A      E     4_A     7.306     0    0.570   1.051    13.930   17.381    7.778
LGA    R     5_A      R     5_A     3.765     0    0.284   0.901     9.920   37.381   20.736
LGA    A     6_A      A     6_A     3.878     0    0.499   0.505     5.612   48.452   43.048
LGA    L     7_A      L     7_A     1.188     0    0.149   1.243     3.915   85.952   73.810
LGA    T     8_A      T     8_A     1.144     0    0.042   0.083     1.496   81.429   81.429
LGA    L     9_A      L     9_A     0.980     0    0.036   0.139     1.079   88.214   88.214
LGA    E    10_A      E    10_A     0.938     0    0.055   1.283     5.954   90.476   68.519
LGA    A    11_A      A    11_A     0.739     0    0.038   0.041     0.739   90.476   90.476
LGA    L    12_A      L    12_A     0.765     0    0.032   0.958     2.933   90.476   84.107
LGA    R    13_A      R    13_A     0.539     0    0.044   0.371     0.799   90.476   93.074
LGA    V    14_A      V    14_A     0.650     0    0.038   0.086     0.826   90.476   90.476
LGA    M    15_A      M    15_A     1.043     0    0.024   1.091     3.756   83.690   77.798
LGA    D    16_A      D    16_A     1.219     0    0.030   0.904     4.647   81.429   65.714
LGA    A    17_A      A    17_A     0.951     0    0.030   0.039     1.117   88.214   88.667
LGA    I    18_A      I    18_A     1.048     0    0.023   0.106     1.447   83.690   84.821
LGA    D    19_A      D    19_A     1.837     0    0.035   0.430     2.981   70.833   69.940
LGA    R    20_A      R    20_A     1.945     0    0.060   0.819     2.599   66.905   70.087
LGA    R    21_A      R    21_A     2.030     0    0.126   0.423     4.450   66.786   57.749
LGA    G    22_A      G    22_A     2.276     0    0.075   0.075     2.276   68.810   68.810
LGA    S    23_A      S    23_A     0.894     0    0.032   0.561     2.192   88.214   86.270
LGA    F    24_A      F    24_A     0.555     0    0.045   0.512     2.652   95.238   84.416
LGA    A    25_A      A    25_A     0.322     0    0.033   0.049     0.465  100.000  100.000
LGA    A    26_A      A    26_A     0.883     0    0.050   0.051     1.257   90.476   88.667
LGA    A    27_A      A    27_A     0.645     0    0.022   0.035     0.696   92.857   92.381
LGA    A    28_A      A    28_A     0.337     0    0.025   0.038     0.794   95.238   96.190
LGA    D    29_A      D    29_A     0.806     0    0.028   0.768     2.453   88.214   80.714
LGA    E    30_A      E    30_A     1.086     0    0.030   0.404     2.335   83.690   79.630
LGA    L    31_A      L    31_A     1.026     0    0.129   0.134     1.650   79.286   86.071
LGA    G    32_A      G    32_A     1.484     0    0.067   0.067     1.677   79.286   79.286
LGA    R    33_A      R    33_A     1.369     0    0.038   1.550     6.529   81.429   65.108
LGA    V    34_A      V    34_A     1.378     0    0.023   0.061     1.852   81.429   77.755
LGA    P    35_A      P    35_A     1.064     0    0.030   0.247     1.489   81.429   81.429
LGA    S    36_A      S    36_A     1.689     0    0.143   0.602     3.747   79.405   70.952
LGA    A    37_A      A    37_A     0.950     0    0.031   0.035     1.181   90.595   88.762
LGA    L    38_A      L    38_A     0.870     0    0.031   0.747     2.425   90.476   86.131
LGA    S    39_A      S    39_A     0.885     0    0.026   0.660     2.758   90.476   84.921
LGA    Y    40_A      Y    40_A     0.350     0    0.040   0.242     2.421  100.000   86.389
LGA    T    41_A      T    41_A     0.359     0    0.026   0.057     0.481  100.000  100.000
LGA    M    42_A      M    42_A     0.637     0    0.039   0.214     0.760   90.476   91.667
LGA    Q    43_A      Q    43_A     0.552     0    0.078   0.936     2.333   90.476   84.656
LGA    K    44_A      K    44_A     0.898     0    0.035   1.324     7.603   85.952   62.434
LGA    L    45_A      L    45_A     1.381     0    0.039   0.059     1.931   81.429   78.214
LGA    E    46_A      E    46_A     1.316     0    0.034   0.080     1.463   81.429   81.429
LGA    E    47_A      E    47_A     1.340     0    0.036   0.162     1.602   79.286   80.476
LGA    E    48_A      E    48_A     1.613     0    0.029   1.319     4.535   72.857   60.635
LGA    L    49_A      L    49_A     1.733     0    0.132   0.167     2.667   79.405   71.190
LGA    D    50_A      D    50_A     0.945     0    0.106   0.825     3.495   88.214   74.881
LGA    V    51_A      V    51_A     1.041     0    0.043   0.150     2.154   79.286   75.374
LGA    V    52_A      V    52_A     0.745     0    0.018   1.003     2.964   90.476   84.422
LGA    L    53_A      L    53_A     0.969     0    0.071   0.108     1.870   90.476   83.810
LGA    F    54_A      F    54_A     0.457     0    0.050   0.117     1.649   95.238   88.139
LGA    D    55_A      D    55_A     1.301     0    0.033   1.050     3.141   81.548   76.488
LGA    R    56_A      R    56_A     3.667     0    0.530   1.505    12.661   50.238   22.727
LGA    S    57_A      S    57_A     3.940     0    0.192   0.325     4.872   38.690   37.222
LGA    R    60_A      R    60_A     3.159     6    0.112   0.104     4.166   52.262   24.199
LGA    T    61_A      T    61_A     1.190     0    0.122   1.182     2.581   83.810   75.714
LGA    K    62_A      K    62_A     0.525     0    0.078   0.684     1.521   95.238   87.619
LGA    F    63_A      F    63_A     1.123     0    0.020   0.186     1.533   83.690   83.117
LGA    T    64_A      T    64_A     0.962     0    0.067   1.067     2.962   83.690   77.075
LGA    N    65_A      N    65_A     0.975     0    0.053   0.262     1.332   90.476   89.345
LGA    V    66_A      V    66_A     0.990     0    0.037   0.108     1.172   85.952   87.891
LGA    G    67_A      G    67_A     1.397     0    0.032   0.032     1.435   81.429   81.429
LGA    R    68_A      R    68_A     1.471     0    0.054   0.214     3.290   81.429   68.874
LGA    M    69_A      M    69_A     1.221     0    0.048   0.980     2.677   81.429   78.393
LGA    L    70_A      L    70_A     1.246     0    0.039   1.429     3.103   81.429   73.393
LGA    L    71_A      L    71_A     1.353     0    0.055   1.155     3.458   81.429   74.345
LGA    E    72_A      E    72_A     1.389     0    0.049   0.310     4.380   81.429   63.492
LGA    R    73_A      R    73_A     1.165     0    0.107   1.237     6.543   88.214   54.286
LGA    G    74_A      G    74_A     0.827     0    0.077   0.077     0.827   90.476   90.476
LGA    R    75_A      R    75_A     0.578     0    0.066   0.243     1.565   95.238   88.961
LGA    V    76_A      V    76_A     0.421     0    0.024   1.119     2.663   97.619   87.483
LGA    L    77_A      L    77_A     0.398     0    0.027   0.970     3.822  100.000   89.524
LGA    L    78_A      L    78_A     0.329     0    0.028   0.114     0.753  100.000   97.619
LGA    E    79_A      E    79_A     0.572     0    0.040   0.804     4.049   92.857   76.720
LGA    A    80_A      A    80_A     0.528     0    0.062   0.063     0.707   90.476   90.476
LGA    A    81_A      A    81_A     0.390     0    0.044   0.045     0.468  100.000  100.000
LGA    D    82_A      D    82_A     0.356     0    0.036   1.230     4.212  100.000   84.167
LGA    K    83_A      K    83_A     0.402     0    0.034   1.007     5.389  100.000   75.979
LGA    L    84_A      L    84_A     0.545     0    0.042   1.055     2.553   97.619   87.679
LGA    T    85_A      T    85_A     0.292     0    0.036   1.123     2.506  100.000   88.844
LGA    T    86_A      T    86_A     0.317     0    0.035   1.002     2.221  100.000   89.932
LGA    D    87_A      D    87_A     0.116     0    0.032   1.030     3.756  100.000   82.262
LGA    A    88_A      A    88_A     0.555     0    0.026   0.039     0.754   92.857   92.381
LGA    E    89_A      E    89_A     1.019     0    0.066   0.116     1.530   81.548   87.566
LGA    A    90_A      A    90_A     1.199     0    0.037   0.046     1.771   81.548   81.524
LGA    L    91_A      L    91_A     1.273     0    0.064   1.427     4.050   77.143   68.631
LGA    A    92_A      A    92_A     2.015     0    0.061   0.062     2.315   66.786   66.381
LGA    R    93_A      R    93_A     2.746     0    0.535   1.145     4.954   57.262   49.957
LGA    L    94_A      L    94_A     2.191     0    0.628   0.825     4.704   55.714   53.214
LGA    E    95_A      E    95_A     6.768     0    0.466   1.236    13.989   20.238    9.524
LGA    H    96_A      H    96_A     5.377     0    0.114   1.300    11.203   21.786   10.667
LGA    H    97_A      H    97_A     5.120     0    0.566   0.857     9.960   33.095   19.524
LGA    H    98_A      H    98_A     4.833     0    0.044   0.912     7.201   22.500   31.095
LGA    H    99_A      H    99_A     7.341     0    0.176   1.443     8.877   12.143    8.143

# 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):     2.430          2.346                  3.267           78.485   72.156

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     89    1.49    82.031    89.553     5.607

LGA_LOCAL      RMSD:   1.487  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.544  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.430  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.630336 * X  +  -0.265523 * Y  +   0.729502 * Z  + -10.897062
  Y_new =   0.330813 * X  +  -0.941972 * Y  +  -0.057014 * Z  +   9.806846
  Z_new =   0.702310 * X  +   0.205391 * Y  +   0.681598 * Z  +   5.696042 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.658286 -0.778637  0.292684   [DEG:  152.3086  -44.6126   16.7696 ]
ZXZ:  1.492801  0.820852  1.286279   [DEG:   85.5312   47.0314   73.6984 ]
 
# END of job
