
#######################################################
#                                                     #
#                        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        4.12     4.12
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       2_A - 94_A        2.00     4.56
  LONGEST_CONTINUOUS_SEGMENT:    91       3_A - 95_A        1.97     4.49
  LCS_AVERAGE:     91.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74       7_A - 82_A        1.00     5.30
  LONGEST_CONTINUOUS_SEGMENT:    74      10_A - 85_A        1.00     5.16
  LCS_AVERAGE:     66.00

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   91   96      3    3    3    3    6    6    9    9   11   11   22   35   88   92   93   93   93   94   94   94 
LCS_GDT     K     3_A     K     3_A      3   91   96      3    3    4    8   14   23   81   86   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     E     4_A     E     4_A      6   91   96      5    7    7   19   32   66   81   86   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R     5_A     R     5_A     40   91   96      5    7   51   67   82   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A     6_A     A     6_A     65   91   96      7   44   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L     7_A     L     7_A     74   91   96      5   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     T     8_A     T     8_A     74   91   96     19   48   69   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L     9_A     L     9_A     74   91   96     11   41   66   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     E    10_A     E    10_A     74   91   96     19   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    11_A     A    11_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    12_A     L    12_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R    13_A     R    13_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     V    14_A     V    14_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     M    15_A     M    15_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     D    16_A     D    16_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    17_A     A    17_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     I    18_A     I    18_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     D    19_A     D    19_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R    20_A     R    20_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R    21_A     R    21_A     74   91   96     19   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     G    22_A     G    22_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     S    23_A     S    23_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     F    24_A     F    24_A     74   91   96     12   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    25_A     A    25_A     74   91   96     18   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    26_A     A    26_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    27_A     A    27_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    28_A     A    28_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     D    29_A     D    29_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     E    30_A     E    30_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    31_A     L    31_A     74   91   96     20   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     G    32_A     G    32_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R    33_A     R    33_A     74   91   96      8   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     V    34_A     V    34_A     74   91   96     10   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     P    35_A     P    35_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     S    36_A     S    36_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    37_A     A    37_A     74   91   96     21   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    38_A     L    38_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     S    39_A     S    39_A     74   91   96     21   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     Y    40_A     Y    40_A     74   91   96     20   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     T    41_A     T    41_A     74   91   96     20   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     M    42_A     M    42_A     74   91   96     20   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     Q    43_A     Q    43_A     74   91   96     18   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     K    44_A     K    44_A     74   91   96     13   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    45_A     L    45_A     74   91   96     13   43   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     E    46_A     E    46_A     74   91   96     13   47   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     E    47_A     E    47_A     74   91   96     13   45   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     E    48_A     E    48_A     74   91   96     13   43   71   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    49_A     L    49_A     74   91   96     13   43   71   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     D    50_A     D    50_A     74   91   96     13   46   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     V    51_A     V    51_A     74   91   96     14   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     V    52_A     V    52_A     74   91   96     14   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    53_A     L    53_A     74   91   96     14   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     F    54_A     F    54_A     74   91   96     11   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     D    55_A     D    55_A     74   91   96     10   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R    56_A     R    56_A     74   91   96      3   21   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     S    57_A     S    57_A     74   91   96     10   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R    60_A     R    60_A     74   91   96     10   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     T    61_A     T    61_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     K    62_A     K    62_A     74   91   96     20   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     F    63_A     F    63_A     74   91   96     14   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     T    64_A     T    64_A     74   91   96     14   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     N    65_A     N    65_A     74   91   96     14   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     V    66_A     V    66_A     74   91   96     14   47   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     G    67_A     G    67_A     74   91   96     14   44   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R    68_A     R    68_A     74   91   96     14   43   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     M    69_A     M    69_A     74   91   96     14   47   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    70_A     L    70_A     74   91   96      8   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    71_A     L    71_A     74   91   96      8   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     E    72_A     E    72_A     74   91   96      7   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R    73_A     R    73_A     74   91   96      4   48   67   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     G    74_A     G    74_A     74   91   96     14   21   71   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R    75_A     R    75_A     74   91   96     20   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     V    76_A     V    76_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    77_A     L    77_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    78_A     L    78_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     E    79_A     E    79_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    80_A     A    80_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    81_A     A    81_A     74   91   96     27   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     D    82_A     D    82_A     74   91   96     14   48   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     K    83_A     K    83_A     74   91   96     14   43   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    84_A     L    84_A     74   91   96     14   46   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     T    85_A     T    85_A     74   91   96     14   47   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     T    86_A     T    86_A     37   91   96     14   34   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     D    87_A     D    87_A     37   91   96     14   31   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    88_A     A    88_A     37   91   96     13   43   72   81   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     E    89_A     E    89_A     22   91   96      7   19   57   80   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    90_A     A    90_A     22   91   96      7   19   37   78   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    91_A     L    91_A     22   91   96      8   19   54   80   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     A    92_A     A    92_A     22   91   96      7   15   43   79   85   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     R    93_A     R    93_A     22   91   96      7   13   25   52   79   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     L    94_A     L    94_A     22   91   96      6   13   17   44   69   87   88   88   90   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     E    95_A     E    95_A      5   91   96      4    5    5    5    8   10   41   52   83   90   91   91   91   92   93   93   93   94   94   94 
LCS_GDT     H    96_A     H    96_A      5    6   96      4    5    5    5    5    6    8    9   21   29   45   70   80   92   93   93   93   94   94   94 
LCS_GDT     H    97_A     H    97_A      5    6   96      3    5    5    5    8    9   17   24   33   40   45   54   62   88   91   93   93   94   94   94 
LCS_GDT     H    98_A     H    98_A      5    6   96      3    5    5    5    8    9   13   17   19   22   27   31   34   36   43   48   52   91   92   93 
LCS_GDT     H    99_A     H    99_A      5    6   96      0    5    5    5    5    6    8   14   18   21   25   27   32   36   37   39   41   43   46   49 
LCS_AVERAGE  LCS_A:  85.70  (  66.00   91.10  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     27     48     72     81     85     87     88     88     90     90     91     91     91     92     93     93     93     94     94     94 
GDT PERCENT_AT  28.12  50.00  75.00  84.38  88.54  90.62  91.67  91.67  93.75  93.75  94.79  94.79  94.79  95.83  96.88  96.88  96.88  97.92  97.92  97.92
GDT RMS_LOCAL    0.35   0.59   0.95   1.10   1.29   1.43   1.53   1.53   1.74   1.74   1.97   1.97   1.97   2.19   2.57   2.57   2.57   2.93   2.93   2.93
GDT RMS_ALL_AT   5.48   5.36   5.10   5.06   4.82   4.71   4.64   4.64   4.59   4.59   4.49   4.49   4.49   4.46   4.34   4.34   4.34   4.23   4.23   4.23

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F    24_A      F    24_A
#   possible swapping detected:  F    54_A      F    54_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     9.859     0    0.621   0.615    12.103    0.952    0.762
LGA    K     3_A      K     3_A     6.495     0    0.600   1.107     9.852   17.262   11.005
LGA    E     4_A      E     4_A     5.174     0    0.595   1.305    10.890   37.738   20.741
LGA    R     5_A      R     5_A     3.017     0    0.158   1.497     6.880   55.714   45.238
LGA    A     6_A      A     6_A     1.323     0    0.038   0.056     1.949   81.548   81.524
LGA    L     7_A      L     7_A     1.695     0    0.116   1.084     4.026   79.405   66.726
LGA    T     8_A      T     8_A     2.124     0    0.092   1.139     3.572   66.786   61.769
LGA    L     9_A      L     9_A     2.362     0    0.039   0.990     5.062   68.810   61.071
LGA    E    10_A      E    10_A     1.682     0    0.024   1.530     4.561   77.143   62.751
LGA    A    11_A      A    11_A     1.236     0    0.030   0.036     1.382   81.429   81.429
LGA    L    12_A      L    12_A     1.372     0    0.032   1.043     4.005   81.429   71.667
LGA    R    13_A      R    13_A     0.871     0    0.048   0.215     2.205   88.214   80.130
LGA    V    14_A      V    14_A     0.770     0    0.034   1.254     3.063   90.476   82.177
LGA    M    15_A      M    15_A     1.193     0    0.042   1.240     3.961   83.690   75.893
LGA    D    16_A      D    16_A     1.034     0    0.022   0.427     1.658   81.429   82.619
LGA    A    17_A      A    17_A     0.901     0    0.027   0.037     1.006   90.476   88.667
LGA    I    18_A      I    18_A     0.997     0    0.030   0.120     1.125   85.952   87.083
LGA    D    19_A      D    19_A     1.281     0    0.031   0.420     2.171   81.429   80.476
LGA    R    20_A      R    20_A     1.320     0    0.036   1.530     4.131   79.286   66.450
LGA    R    21_A      R    21_A     1.521     0    0.112   1.227     3.178   79.286   74.156
LGA    G    22_A      G    22_A     1.418     0    0.073   0.073     1.463   81.429   81.429
LGA    S    23_A      S    23_A     1.216     0    0.054   0.054     1.544   81.429   80.000
LGA    F    24_A      F    24_A     1.260     0    0.023   0.376     1.779   81.429   82.338
LGA    A    25_A      A    25_A     1.446     0    0.031   0.041     1.470   81.429   81.429
LGA    A    26_A      A    26_A     1.436     0    0.049   0.050     1.462   81.429   81.429
LGA    A    27_A      A    27_A     1.323     0    0.027   0.039     1.335   81.429   81.429
LGA    A    28_A      A    28_A     1.376     0    0.031   0.040     1.487   81.429   81.429
LGA    D    29_A      D    29_A     1.317     0    0.029   0.644     2.567   81.429   79.524
LGA    E    30_A      E    30_A     1.414     0    0.035   0.523     2.498   81.429   76.720
LGA    L    31_A      L    31_A     1.500     0    0.148   0.141     1.719   75.000   73.929
LGA    G    32_A      G    32_A     1.548     0    0.096   0.096     1.633   75.000   75.000
LGA    R    33_A      R    33_A     0.891     0    0.032   1.540     6.699   88.214   62.814
LGA    V    34_A      V    34_A     0.677     0    0.033   0.059     0.755   90.476   90.476
LGA    P    35_A      P    35_A     1.028     0    0.037   0.091     1.366   83.690   86.667
LGA    S    36_A      S    36_A     1.058     0    0.159   0.231     2.001   88.214   83.175
LGA    A    37_A      A    37_A     0.809     0    0.036   0.038     0.978   90.476   90.476
LGA    L    38_A      L    38_A     0.948     0    0.041   1.128     2.755   90.476   79.762
LGA    S    39_A      S    39_A     0.773     0    0.027   0.046     0.840   90.476   90.476
LGA    Y    40_A      Y    40_A     0.969     0    0.028   0.148     2.180   90.476   80.952
LGA    T    41_A      T    41_A     0.944     0    0.025   0.066     1.042   90.476   89.184
LGA    M    42_A      M    42_A     0.629     0    0.033   0.144     0.908   90.476   90.476
LGA    Q    43_A      Q    43_A     0.408     0    0.056   1.003     3.247   95.238   88.254
LGA    K    44_A      K    44_A     0.796     0    0.028   0.879     3.849   85.952   75.556
LGA    L    45_A      L    45_A     1.437     0    0.046   1.125     4.248   79.286   73.810
LGA    E    46_A      E    46_A     1.212     0    0.037   0.453     2.016   79.286   78.624
LGA    E    47_A      E    47_A     1.514     0    0.035   0.437     2.157   72.976   71.111
LGA    E    48_A      E    48_A     1.976     0    0.059   1.027     3.105   70.833   64.974
LGA    L    49_A      L    49_A     2.066     0    0.084   0.104     2.511   70.833   67.857
LGA    D    50_A      D    50_A     1.691     0    0.031   1.155     6.246   77.143   59.107
LGA    V    51_A      V    51_A     1.331     0    0.053   0.137     1.993   77.143   76.531
LGA    V    52_A      V    52_A     1.236     0    0.022   1.000     3.367   81.429   74.558
LGA    L    53_A      L    53_A     1.238     0    0.084   0.103     1.820   81.429   78.214
LGA    F    54_A      F    54_A     0.770     0    0.023   0.169     1.055   88.214   91.385
LGA    D    55_A      D    55_A     0.650     0    0.059   1.055     4.253   90.476   76.429
LGA    R    56_A      R    56_A     1.341     0    0.272   0.787     3.967   77.262   69.351
LGA    S    57_A      S    57_A     1.496     0    0.587   0.887     3.405   77.262   71.984
LGA    R    60_A      R    60_A     1.081     6    0.060   0.058     1.180   85.952   38.658
LGA    T    61_A      T    61_A     0.757     0    0.075   1.212     2.349   90.476   83.129
LGA    K    62_A      K    62_A     0.369     0    0.084   1.286     5.924   97.619   80.794
LGA    F    63_A      F    63_A     0.719     0    0.044   0.100     1.014   90.476   89.654
LGA    T    64_A      T    64_A     1.068     0    0.064   1.065     3.299   81.429   73.469
LGA    N    65_A      N    65_A     1.172     0    0.050   1.007     4.376   81.429   70.774
LGA    V    66_A      V    66_A     1.326     0    0.034   0.101     1.506   81.429   80.204
LGA    G    67_A      G    67_A     1.403     0    0.022   0.022     1.505   79.286   79.286
LGA    R    68_A      R    68_A     1.386     0    0.075   1.116     5.594   81.429   65.931
LGA    M    69_A      M    69_A     1.187     0    0.021   0.851     2.526   83.690   78.452
LGA    L    70_A      L    70_A     0.767     0    0.050   1.043     3.806   92.857   82.440
LGA    L    71_A      L    71_A     0.578     0    0.062   1.091     2.486   95.238   86.429
LGA    E    72_A      E    72_A     1.194     0    0.071   0.177     3.230   83.690   70.741
LGA    R    73_A      R    73_A     2.114     0    0.109   1.319     4.157   66.786   55.628
LGA    G    74_A      G    74_A     1.984     0    0.082   0.082     1.984   72.857   72.857
LGA    R    75_A      R    75_A     0.895     0    0.071   0.533     2.463   88.214   87.403
LGA    V    76_A      V    76_A     1.168     0    0.022   1.172     3.566   81.429   73.605
LGA    L    77_A      L    77_A     1.370     0    0.031   0.849     3.749   81.429   73.452
LGA    L    78_A      L    78_A     1.214     0    0.033   0.155     1.373   81.429   82.560
LGA    E    79_A      E    79_A     1.033     0    0.032   0.529     1.988   83.690   82.487
LGA    A    80_A      A    80_A     1.114     0    0.058   0.059     1.500   81.429   81.429
LGA    A    81_A      A    81_A     1.181     0    0.040   0.046     1.484   85.952   85.048
LGA    D    82_A      D    82_A     0.797     0    0.046   1.032     4.788   90.476   72.143
LGA    K    83_A      K    83_A     0.967     0    0.040   1.233     6.557   85.952   65.767
LGA    L    84_A      L    84_A     1.363     0    0.055   1.083     4.057   85.952   74.940
LGA    T    85_A      T    85_A     0.976     0    0.033   1.001     3.805   90.476   79.932
LGA    T    86_A      T    86_A     0.958     0    0.033   1.011     3.266   85.952   75.034
LGA    D    87_A      D    87_A     1.224     0    0.041   1.216     5.967   81.429   63.631
LGA    A    88_A      A    88_A     0.646     0    0.037   0.046     1.032   88.214   86.857
LGA    E    89_A      E    89_A     1.846     0    0.033   1.374     8.650   69.048   45.714
LGA    A    90_A      A    90_A     2.722     0    0.032   0.048     3.193   57.262   55.810
LGA    L    91_A      L    91_A     2.104     0    0.043   0.841     3.600   64.762   62.143
LGA    A    92_A      A    92_A     2.502     0    0.043   0.048     3.860   55.833   56.095
LGA    R    93_A      R    93_A     4.728     0    0.047   0.887     5.868   30.595   28.874
LGA    L    94_A      L    94_A     5.063     0    0.208   0.956     8.074   22.619   20.833
LGA    E    95_A      E    95_A     9.390     0    0.229   0.687    13.583    2.857    1.429
LGA    H    96_A      H    96_A    14.346     0    0.456   0.399    17.853    0.000    0.000
LGA    H    97_A      H    97_A    16.136     0    0.062   1.390    19.814    0.000    0.000
LGA    H    98_A      H    98_A    20.793     0    0.574   1.104    24.106    0.000    0.000
LGA    H    99_A      H    99_A    26.536     0    0.037   1.135    29.873    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):     4.116          4.179                  4.954           74.470   68.571

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     88    1.53    80.729    87.199     5.391

LGA_LOCAL      RMSD:   1.532  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.636  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   4.116  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.749179 * X  +  -0.318028 * Y  +   0.581025 * Z  +   0.315085
  Y_new =   0.274352 * X  +  -0.947400 * Y  +  -0.164814 * Z  +  63.509041
  Z_new =   0.602878 * X  +   0.035930 * Y  +   0.797024 * Z  +  -5.341482 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.790556 -0.647104  0.045050   [DEG:  159.8871  -37.0763    2.5812 ]
ZXZ:  1.294396  0.648445  1.511269   [DEG:   74.1634   37.1532   86.5893 ]
 
# END of job
