
#######################################################
#                                                     #
#                        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        3.42     3.42
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92       5_A - 98_A        1.95     3.51
  LCS_AVERAGE:     93.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    51       6_A - 56_A        0.88     3.57
  LCS_AVERAGE:     41.44

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      6    8   96      0    4    6    7    7    8    8    9    9   11   12   12   14   14   16   18   20   22   25   26 
LCS_GDT     K     3_A     K     3_A      6    8   96      3    4    6    7    7    8    8    9   11   13   25   39   53   62   70   74   94   94   95   95 
LCS_GDT     E     4_A     E     4_A      6   91   96      3    4    6    7    7   19   23   37   61   73   80   88   90   92   94   94   94   94   95   95 
LCS_GDT     R     5_A     R     5_A      6   92   96      3    4    6    7   29   46   66   78   86   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A     6_A     A     6_A     51   92   96     26   59   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L     7_A     L     7_A     51   92   96     27   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     T     8_A     T     8_A     51   92   96     27   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L     9_A     L     9_A     51   92   96     24   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     E    10_A     E    10_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    11_A     A    11_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    12_A     L    12_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     R    13_A     R    13_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     V    14_A     V    14_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     M    15_A     M    15_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     D    16_A     D    16_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    17_A     A    17_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     I    18_A     I    18_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     D    19_A     D    19_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     R    20_A     R    20_A     51   92   96     25   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     R    21_A     R    21_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     G    22_A     G    22_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     S    23_A     S    23_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     F    24_A     F    24_A     51   92   96     28   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    25_A     A    25_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    26_A     A    26_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    27_A     A    27_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    28_A     A    28_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     D    29_A     D    29_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     E    30_A     E    30_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    31_A     L    31_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     G    32_A     G    32_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     R    33_A     R    33_A     51   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     V    34_A     V    34_A     51   92   96     30   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     P    35_A     P    35_A     51   92   96     17   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     S    36_A     S    36_A     51   92   96     14   56   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    37_A     A    37_A     51   92   96     14   53   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    38_A     L    38_A     51   92   96     14   58   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     S    39_A     S    39_A     51   92   96     17   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     Y    40_A     Y    40_A     51   92   96     13   53   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     T    41_A     T    41_A     51   92   96     14   53   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     M    42_A     M    42_A     51   92   96     17   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     Q    43_A     Q    43_A     51   92   96     17   56   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     K    44_A     K    44_A     51   92   96     17   56   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    45_A     L    45_A     51   92   96     14   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     E    46_A     E    46_A     51   92   96     17   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     E    47_A     E    47_A     51   92   96     17   56   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     E    48_A     E    48_A     51   92   96     15   56   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    49_A     L    49_A     51   92   96     13   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     D    50_A     D    50_A     51   92   96     24   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     V    51_A     V    51_A     51   92   96     17   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     V    52_A     V    52_A     51   92   96     19   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    53_A     L    53_A     51   92   96     19   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     F    54_A     F    54_A     51   92   96     17   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     D    55_A     D    55_A     51   92   96     13   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     R    56_A     R    56_A     51   92   96      5   18   46   79   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     S    57_A     S    57_A     13   92   96      3   10   15   26   55   84   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     R    60_A     R    60_A     34   92   96      9   51   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     T    61_A     T    61_A     34   92   96     19   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     K    62_A     K    62_A     34   92   96     27   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     F    63_A     F    63_A     34   92   96     33   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     T    64_A     T    64_A     34   92   96     19   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     N    65_A     N    65_A     34   92   96     19   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     V    66_A     V    66_A     34   92   96     19   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     G    67_A     G    67_A     34   92   96     19   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     R    68_A     R    68_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     M    69_A     M    69_A     34   92   96     25   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    70_A     L    70_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    71_A     L    71_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     E    72_A     E    72_A     34   92   96      9   53   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     R    73_A     R    73_A     34   92   96     14   53   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     G    74_A     G    74_A     34   92   96      7   19   67   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     R    75_A     R    75_A     34   92   96     12   46   75   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     V    76_A     V    76_A     34   92   96     16   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    77_A     L    77_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    78_A     L    78_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     E    79_A     E    79_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    80_A     A    80_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    81_A     A    81_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     D    82_A     D    82_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     K    83_A     K    83_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    84_A     L    84_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     T    85_A     T    85_A     34   92   96     22   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     T    86_A     T    86_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     D    87_A     D    87_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    88_A     A    88_A     34   92   96     34   62   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     E    89_A     E    89_A     34   92   96     22   61   78   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    90_A     A    90_A     34   92   96     13   56   76   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    91_A     L    91_A     34   92   96     16   46   65   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     A    92_A     A    92_A     34   92   96      5   33   61   83   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     R    93_A     R    93_A     34   92   96      4    5    6    9   31   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     L    94_A     L    94_A      5   92   96      9   31   63   79   85   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     E    95_A     E    95_A      5   92   96      4    5   34   64   83   87   88   88   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     H    96_A     H    96_A      5   92   96      3   18   23   27   68   77   84   86   89   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     H    97_A     H    97_A      4   92   96      3    5   19   22   29   46   72   82   87   91   91   92   93   93   94   94   94   94   95   95 
LCS_GDT     H    98_A     H    98_A      3   92   96      0    3    3    3    4    7    9    9   11   11   68   91   93   93   94   94   94   94   95   95 
LCS_GDT     H    99_A     H    99_A      3    8   96      0    3    5    5   29   30   38   46   71   76   89   92   93   93   94   94   94   94   95   95 
LCS_AVERAGE  LCS_A:  78.18  (  41.44   93.09  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     34     62     78     83     85     87     88     88     89     91     91     92     93     93     94     94     94     94     95     95 
GDT PERCENT_AT  35.42  64.58  81.25  86.46  88.54  90.62  91.67  91.67  92.71  94.79  94.79  95.83  96.88  96.88  97.92  97.92  97.92  97.92  98.96  98.96
GDT RMS_LOCAL    0.31   0.66   0.87   0.97   1.08   1.24   1.34   1.34   1.49   1.76   1.76   1.93   2.09   2.09   2.32   2.32   2.32   2.32   2.79   2.79
GDT RMS_ALL_AT   3.97   3.69   3.63   3.65   3.61   3.58   3.57   3.57   3.54   3.51   3.51   3.51   3.52   3.52   3.48   3.48   3.48   3.48   3.43   3.43

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  D    19_A      D    19_A
#   possible swapping detected:  E    30_A      E    30_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  E    79_A      E    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    20.529     0    0.624   0.605    22.789    0.000    0.000
LGA    K     3_A      K     3_A    15.773     0    0.136   1.154    23.451    0.000    0.000
LGA    E     4_A      E     4_A    10.103     0    0.075   0.707    12.545    1.905    1.164
LGA    R     5_A      R     5_A     6.420     0    0.218   0.965    14.799   23.452    9.481
LGA    A     6_A      A     6_A     1.031     0    0.569   0.579     2.598   79.881   76.857
LGA    L     7_A      L     7_A     0.517     0    0.056   0.105     1.263   90.476   89.345
LGA    T     8_A      T     8_A     0.558     0    0.031   0.069     0.811   95.238   93.197
LGA    L     9_A      L     9_A     0.729     0    0.024   0.105     1.310   90.476   88.214
LGA    E    10_A      E    10_A     0.488     0    0.027   1.108     3.614  100.000   78.360
LGA    A    11_A      A    11_A     0.530     0    0.028   0.037     0.649   92.857   92.381
LGA    L    12_A      L    12_A     0.622     0    0.063   0.092     1.040   92.857   89.405
LGA    R    13_A      R    13_A     0.541     0    0.016   1.107     3.723   90.476   82.641
LGA    V    14_A      V    14_A     0.597     0    0.019   0.053     0.683   90.476   90.476
LGA    M    15_A      M    15_A     0.614     0    0.015   1.058     3.529   90.476   82.381
LGA    D    16_A      D    16_A     0.309     0    0.029   0.872     3.224  100.000   83.988
LGA    A    17_A      A    17_A     0.479     0    0.019   0.019     0.767   97.619   96.190
LGA    I    18_A      I    18_A     0.848     0    0.032   0.081     1.829   90.476   84.881
LGA    D    19_A      D    19_A     0.619     0    0.013   0.165     0.895   92.857   91.667
LGA    R    20_A      R    20_A     0.548     0    0.093   1.026     2.965   90.595   78.874
LGA    R    21_A      R    21_A     0.577     0    0.048   1.037     3.484   92.857   81.991
LGA    G    22_A      G    22_A     0.571     0    0.031   0.031     0.846   92.857   92.857
LGA    S    23_A      S    23_A     0.706     0    0.020   0.080     0.920   90.476   90.476
LGA    F    24_A      F    24_A     0.938     0    0.021   0.843     4.427   85.952   72.597
LGA    A    25_A      A    25_A     0.969     0    0.025   0.041     1.034   88.214   86.857
LGA    A    26_A      A    26_A     0.975     0    0.034   0.036     1.042   90.476   88.667
LGA    A    27_A      A    27_A     0.873     0    0.014   0.017     0.956   90.476   90.476
LGA    A    28_A      A    28_A     0.953     0    0.043   0.050     1.028   88.214   88.667
LGA    D    29_A      D    29_A     0.858     0    0.025   0.873     4.045   90.476   78.393
LGA    E    30_A      E    30_A     0.819     0    0.017   0.252     1.409   90.476   89.471
LGA    L    31_A      L    31_A     1.033     0    0.056   0.141     1.421   83.690   83.690
LGA    G    32_A      G    32_A     0.989     0    0.016   0.016     1.085   88.214   88.214
LGA    R    33_A      R    33_A     0.987     0    0.013   1.703     7.126   90.476   61.429
LGA    V    34_A      V    34_A     0.772     0    0.032   0.037     1.044   88.214   89.184
LGA    P    35_A      P    35_A     1.147     0    0.019   0.281     1.639   83.690   82.789
LGA    S    36_A      S    36_A     1.534     0    0.161   0.656     2.092   75.000   72.937
LGA    A    37_A      A    37_A     1.816     0    0.011   0.020     1.973   72.857   72.857
LGA    L    38_A      L    38_A     1.280     0    0.043   0.676     1.975   81.429   80.357
LGA    S    39_A      S    39_A     1.090     0    0.034   0.642     2.307   81.429   78.651
LGA    Y    40_A      Y    40_A     1.860     0    0.035   1.241    11.278   72.857   37.857
LGA    T    41_A      T    41_A     1.784     0    0.010   0.088     1.845   72.857   72.857
LGA    M    42_A      M    42_A     1.115     0    0.043   0.943     3.008   83.690   80.893
LGA    Q    43_A      Q    43_A     1.280     0    0.067   1.491     5.730   81.429   62.275
LGA    K    44_A      K    44_A     1.518     0    0.158   0.824     5.511   75.000   57.672
LGA    L    45_A      L    45_A     1.220     0    0.031   0.051     1.356   85.952   83.690
LGA    E    46_A      E    46_A     0.638     0    0.040   0.172     1.150   90.476   90.529
LGA    E    47_A      E    47_A     1.304     0    0.056   0.284     1.872   81.429   81.481
LGA    E    48_A      E    48_A     1.514     0    0.051   0.587     4.630   77.143   62.910
LGA    L    49_A      L    49_A     0.722     0    0.029   0.105     1.635   95.238   88.393
LGA    D    50_A      D    50_A     0.417     0    0.210   0.837     3.348   90.595   78.095
LGA    V    51_A      V    51_A     0.937     0    0.046   1.147     4.471   90.595   79.116
LGA    V    52_A      V    52_A     0.579     0    0.090   0.149     1.436   90.476   86.599
LGA    L    53_A      L    53_A     0.699     0    0.029   0.073     0.886   90.476   90.476
LGA    F    54_A      F    54_A     1.003     0    0.039   1.373     4.173   85.952   75.801
LGA    D    55_A      D    55_A     0.910     0    0.072   0.516     1.623   85.952   82.679
LGA    R    56_A      R    56_A     2.633     0    0.506   1.122     7.651   60.952   43.680
LGA    S    57_A      S    57_A     4.948     0    0.704   0.857     8.124   39.048   29.683
LGA    R    60_A      R    60_A     1.788     6    0.049   0.074     2.032   70.833   32.381
LGA    T    61_A      T    61_A     1.050     0    0.034   0.085     1.204   83.690   85.306
LGA    K    62_A      K    62_A     0.764     0    0.016   0.950     3.522   92.857   82.593
LGA    F    63_A      F    63_A     0.407     0    0.013   0.060     1.159   97.619   92.294
LGA    T    64_A      T    64_A     0.391     0    0.024   0.043     0.502  100.000   98.639
LGA    N    65_A      N    65_A     0.634     0    0.038   0.139     1.180   92.857   90.536
LGA    V    66_A      V    66_A     0.658     0    0.013   0.040     0.969   90.476   90.476
LGA    G    67_A      G    67_A     0.687     0    0.016   0.016     0.716   90.476   90.476
LGA    R    68_A      R    68_A     0.737     0    0.071   1.509     5.990   90.476   67.532
LGA    M    69_A      M    69_A     0.582     0    0.021   0.996     1.996   92.857   86.131
LGA    L    70_A      L    70_A     0.382     0    0.072   0.182     0.733  100.000   97.619
LGA    L    71_A      L    71_A     0.728     0    0.042   0.107     0.863   90.476   90.476
LGA    E    72_A      E    72_A     1.367     0    0.045   0.117     3.179   83.690   70.741
LGA    R    73_A      R    73_A     1.926     0    0.103   1.213     9.384   75.000   38.831
LGA    G    74_A      G    74_A     1.861     0    0.097   0.097     1.887   75.000   75.000
LGA    R    75_A      R    75_A     1.441     0    0.057   0.918     4.987   77.262   67.792
LGA    V    76_A      V    76_A     0.351     0    0.024   0.070     0.607   97.619   97.279
LGA    L    77_A      L    77_A     0.755     0    0.048   0.891     2.186   90.476   86.131
LGA    L    78_A      L    78_A     0.804     0    0.045   0.076     0.876   90.476   90.476
LGA    E    79_A      E    79_A     1.028     0    0.030   0.931     3.403   85.952   74.444
LGA    A    80_A      A    80_A     0.873     0    0.084   0.085     1.082   88.214   88.667
LGA    A    81_A      A    81_A     0.810     0    0.024   0.023     0.836   90.476   90.476
LGA    D    82_A      D    82_A     0.745     0    0.022   0.133     0.985   90.476   90.476
LGA    K    83_A      K    83_A     0.994     0    0.029   1.143     4.973   90.476   70.635
LGA    L    84_A      L    84_A     0.829     0    0.029   1.421     3.673   90.476   76.310
LGA    T    85_A      T    85_A     0.829     0    0.030   1.006     2.141   90.476   82.993
LGA    T    86_A      T    86_A     0.839     0    0.020   1.003     2.202   90.476   82.993
LGA    D    87_A      D    87_A     1.027     0    0.070   0.102     1.335   83.690   82.560
LGA    A    88_A      A    88_A     1.098     0    0.018   0.021     1.135   81.429   81.429
LGA    E    89_A      E    89_A     1.164     0    0.058   0.154     2.036   81.429   77.672
LGA    A    90_A      A    90_A     1.620     0    0.062   0.069     1.967   75.000   74.571
LGA    L    91_A      L    91_A     1.929     0    0.192   1.383     5.874   75.000   57.560
LGA    A    92_A      A    92_A     2.139     0    0.057   0.058     3.000   64.762   61.810
LGA    R    93_A      R    93_A     3.807     0    0.128   1.042     9.377   43.452   25.368
LGA    L    94_A      L    94_A     2.896     0    0.014   0.061     4.405   50.357   59.702
LGA    E    95_A      E    95_A     3.888     0    0.571   0.602     5.712   42.262   35.238
LGA    H    96_A      H    96_A     6.416     0    0.195   0.231     7.410   15.476   12.190
LGA    H    97_A      H    97_A     7.443     0    0.605   1.209    13.705    7.024    3.286
LGA    H    98_A      H    98_A     8.804     0    0.673   1.456     9.249    6.190    5.143
LGA    H    99_A      H    99_A     8.707     0    0.551   1.160    11.666    1.429    1.333

# 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):     3.418          3.319                  4.063           78.462   72.191

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     88    1.34    85.156    89.642     6.098

LGA_LOCAL      RMSD:   1.343  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.568  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   3.418  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.608952 * X  +  -0.534986 * Y  +   0.585635 * Z  +  14.078915
  Y_new =   0.479309 * X  +  -0.836454 * Y  +  -0.265721 * Z  +  59.417179
  Z_new =   0.632014 * X  +   0.118889 * Y  +   0.765783 * Z  +  -7.966448 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.474764 -0.684149  0.154021   [DEG:  141.7936  -39.1988    8.8248 ]
ZXZ:  1.144844  0.698538  1.384858   [DEG:   65.5947   40.0233   79.3465 ]
 
# END of job
