
#######################################################
#                                                     #
#                        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   89 (  636),  selected   89 , name one
# Molecule2: number of CA atoms   89 (  636),  selected   89 , 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:    89       1_A - 89_A        2.01     2.01
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    88       1_A - 88_A        1.85     2.02
  LONGEST_CONTINUOUS_SEGMENT:    88       2_A - 89_A        1.80     2.02
  LCS_AVERAGE:     98.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      32_A - 87_A        0.96     2.08
  LCS_AVERAGE:     49.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   89
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     G     1_A     G     1_A      3   88   89      3    3    4    8   14   25   38   52   65   83   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     S     2_A     S     2_A      3   88   89      3    3    4    9   17   28   51   76   84   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A     3_A     A     3_A     25   88   89      9   36   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     D     4_A     D     4_A     25   88   89      9   39   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     L     5_A     L     5_A     25   88   89     26   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A     6_A     A     6_A     25   88   89     26   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     H     7_A     H     7_A     25   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     G     8_A     G     8_A     25   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     G     9_A     G     9_A     25   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     Q    10_A     Q    10_A     25   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     V    11_A     V    11_A     25   88   89     36   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     F    12_A     F    12_A     25   88   89     26   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     S    13_A     S    13_A     25   88   89     31   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    14_A     A    14_A     25   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     N    15_A     N    15_A     25   88   89     36   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     C    16_A     C    16_A     25   88   89     15   52   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    17_A     A    17_A     25   88   89     11   48   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    18_A     A    18_A     25   88   89      5   52   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     C    19_A     C    19_A     25   88   89     15   45   68   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     H    20_A     H    20_A     25   88   89     20   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     L    21_A     L    21_A     25   88   89     15   54   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     G    22_A     G    22_A     25   88   89      3   13   67   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     G    23_A     G    23_A     25   88   89      3   52   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     R    24_A     R    24_A     25   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     N    25_A     N    25_A     25   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     V    26_A     V    26_A     25   88   89      5   46   67   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     V    27_A     V    27_A     25   88   89      5   46   67   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     N    28_A     N    28_A     17   88   89      5   13   59   76   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     P    29_A     P    29_A     17   88   89      5   13   32   71   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    30_A     A    30_A     17   88   89      5   13   27   65   81   85   85   85   85   86   87   87   88   89   89   89   89   89   89   89 
LCS_GDT     K    31_A     K    31_A     55   88   89      5   13   45   71   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     T    32_A     T    32_A     56   88   89      3   14   26   73   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     L    33_A     L    33_A     56   88   89      3   13   68   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     Q    34_A     Q    34_A     56   88   89      7   45   68   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     K    35_A     K    35_A     56   88   89      7   45   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    36_A     A    36_A     56   88   89      9   54   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     D    37_A     D    37_A     56   88   89     27   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     L    38_A     L    38_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     D    39_A     D    39_A     56   88   89      7   52   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     Q    40_A     Q    40_A     56   88   89      6   41   67   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     Y    41_A     Y    41_A     56   88   89      5   15   59   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     G    42_A     G    42_A     56   88   89      9   41   67   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     M    43_A     M    43_A     56   88   89     34   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    44_A     A    44_A     56   88   89      4   14   20   74   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     S    45_A     S    45_A     56   88   89     26   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     I    46_A     I    46_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     E    47_A     E    47_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    48_A     A    48_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     I    49_A     I    49_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     T    50_A     T    50_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     T    51_A     T    51_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     Q    52_A     Q    52_A     56   88   89     33   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     V    53_A     V    53_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     T    54_A     T    54_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     N    55_A     N    55_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     G    56_A     G    56_A     56   88   89     30   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     K    57_A     K    57_A     56   88   89     21   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     G    58_A     G    58_A     56   88   89      4    8   43   68   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    59_A     A    59_A     56   88   89      4   52   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     M    60_A     M    60_A     56   88   89     30   54   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     P    61_A     P    61_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    62_A     A    62_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     F    63_A     F    63_A     56   88   89     32   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     G    64_A     G    64_A     56   88   89     32   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     S    65_A     S    65_A     56   88   89     21   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     K    66_A     K    66_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     L    67_A     L    67_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     S    68_A     S    68_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    69_A     A    69_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     D    70_A     D    70_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     D    71_A     D    71_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     I    72_A     I    72_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    73_A     A    73_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     D    74_A     D    74_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     V    75_A     V    75_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     A    76_A     A    76_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     S    77_A     S    77_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     Y    78_A     Y    78_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     V    79_A     V    79_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     L    80_A     L    80_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     D    81_A     D    81_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     Q    82_A     Q    82_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     S    83_A     S    83_A     56   88   89     32   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     E    84_A     E    84_A     56   88   89     32   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     K    85_A     K    85_A     56   88   89     37   55   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     G    86_A     G    86_A     56   88   89      4   41   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     W    87_A     W    87_A     56   88   89      5   41   69   77   83   85   85   85   85   86   87   88   88   89   89   89   89   89   89   89 
LCS_GDT     Q    88_A     Q    88_A      4   88   89      3    4    4   16   24   30   60   75   80   84   86   88   88   89   89   89   89   89   89   89 
LCS_GDT     G    89_A     G    89_A      4   88   89      3    5   11   18   26   36   60   71   80   82   85   88   88   89   89   89   89   89   89   89 
LCS_AVERAGE  LCS_A:  82.62  (  49.00   98.88  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     37     55     69     77     83     85     85     85     85     86     87     88     88     89     89     89     89     89     89     89 
GDT PERCENT_AT  41.57  61.80  77.53  86.52  93.26  95.51  95.51  95.51  95.51  96.63  97.75  98.88  98.88 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.52   0.81   0.96   1.15   1.23   1.23   1.23   1.23   1.44   1.71   1.97   1.80   2.01   2.01   2.01   2.01   2.01   2.01   2.01
GDT RMS_ALL_AT   2.06   2.06   2.05   2.04   2.06   2.07   2.07   2.07   2.07   2.05   2.03   2.01   2.02   2.01   2.01   2.01   2.01   2.01   2.01   2.01

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  E    47_A      E    47_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     9.106     0    0.130   0.130     9.136    8.571    8.571
LGA    S     2_A      S     2_A     7.098     0    0.130   0.552     8.940   15.595   12.063
LGA    A     3_A      A     3_A     2.138     0    0.266   0.253     3.834   59.524   60.571
LGA    D     4_A      D     4_A     1.866     0    0.229   0.457     2.427   75.119   75.060
LGA    L     5_A      L     5_A     0.902     0    0.080   0.074     1.140   88.214   89.345
LGA    A     6_A      A     6_A     0.983     0    0.010   0.015     1.040   90.476   88.667
LGA    H     7_A      H     7_A     0.667     0    0.048   1.144     2.393   90.476   83.619
LGA    G     8_A      G     8_A     0.427     0    0.028   0.028     0.546   97.619   97.619
LGA    G     9_A      G     9_A     0.481     0    0.093   0.093     0.709   92.857   92.857
LGA    Q    10_A      Q    10_A     0.687     0    0.023   0.363     1.864   90.476   87.566
LGA    V    11_A      V    11_A     0.602     0    0.014   0.052     0.881   90.476   90.476
LGA    F    12_A      F    12_A     0.902     0    0.047   0.139     1.299   88.214   84.719
LGA    S    13_A      S    13_A     0.829     0    0.008   0.044     0.999   90.476   90.476
LGA    A    14_A      A    14_A     0.445     0    0.063   0.072     0.490  100.000  100.000
LGA    N    15_A      N    15_A     0.670     0    0.098   0.093     1.064   90.476   88.214
LGA    C    16_A      C    16_A     1.454     0    0.024   0.119     2.066   77.143   74.365
LGA    A    17_A      A    17_A     1.566     0    0.048   0.049     1.782   72.857   72.857
LGA    A    18_A      A    18_A     1.511     0    0.014   0.015     1.886   75.000   76.286
LGA    C    19_A      C    19_A     1.962     0    0.036   0.054     2.316   72.857   71.508
LGA    H    20_A      H    20_A     1.356     0    0.163   1.082     2.850   77.143   73.095
LGA    L    21_A      L    21_A     1.405     0    0.044   0.138     1.606   81.429   80.357
LGA    G    22_A      G    22_A     1.892     0    0.632   0.632     3.748   65.476   65.476
LGA    G    23_A      G    23_A     1.225     0    0.034   0.034     1.378   85.952   85.952
LGA    R    24_A      R    24_A     0.200     0    0.250   1.136     7.528   90.833   60.476
LGA    N    25_A      N    25_A     0.292     0    0.093   0.188     1.246   90.595   91.726
LGA    V    26_A      V    26_A     1.510     0    0.104   1.156     2.939   79.405   72.041
LGA    V    27_A      V    27_A     1.438     0    0.014   0.050     2.137   75.119   80.408
LGA    N    28_A      N    28_A     2.105     0    0.069   0.177     3.473   68.810   62.143
LGA    P    29_A      P    29_A     2.780     0    0.043   0.073     3.040   55.357   55.102
LGA    A    30_A      A    30_A     3.429     0    0.098   0.107     3.841   48.333   48.667
LGA    K    31_A      K    31_A     2.670     0    0.088   0.078     3.038   59.048   57.196
LGA    T    32_A      T    32_A     2.252     0    0.038   0.181     2.466   64.762   64.762
LGA    L    33_A      L    33_A     1.660     0    0.139   0.269     1.948   79.405   76.131
LGA    Q    34_A      Q    34_A     1.631     0    0.112   0.834     5.393   77.143   54.921
LGA    K    35_A      K    35_A     1.596     0    0.012   0.570     5.082   75.000   58.254
LGA    A    36_A      A    36_A     1.593     0    0.016   0.020     1.824   79.405   78.095
LGA    D    37_A      D    37_A     0.866     0    0.037   0.280     2.963   88.214   80.714
LGA    L    38_A      L    38_A     0.439     0    0.042   0.123     1.121   90.595   91.726
LGA    D    39_A      D    39_A     1.458     0    0.011   0.068     2.614   81.548   73.214
LGA    Q    40_A      Q    40_A     1.430     0    0.103   1.145     4.479   75.119   72.910
LGA    Y    41_A      Y    41_A     1.897     0    0.031   0.199     5.096   72.857   54.762
LGA    G    42_A      G    42_A     1.603     0    0.179   0.179     1.608   84.048   84.048
LGA    M    43_A      M    43_A     0.661     0    0.242   1.059     3.247   83.810   72.679
LGA    A    44_A      A    44_A     2.641     0    0.247   0.236     4.158   68.929   62.571
LGA    S    45_A      S    45_A     0.876     0    0.039   0.056     1.359   88.214   85.952
LGA    I    46_A      I    46_A     0.051     0    0.091   0.956     2.423  100.000   87.798
LGA    E    47_A      E    47_A     0.279     0    0.046   0.931     3.722  100.000   80.265
LGA    A    48_A      A    48_A     0.468     0    0.028   0.030     0.657  100.000   98.095
LGA    I    49_A      I    49_A     0.373     0    0.009   0.076     0.424  100.000  100.000
LGA    T    50_A      T    50_A     0.307     0    0.046   1.110     2.807  100.000   88.639
LGA    T    51_A      T    51_A     0.445     0    0.020   0.036     0.800   97.619   94.558
LGA    Q    52_A      Q    52_A     0.618     0    0.047   0.905     4.323   97.619   82.857
LGA    V    53_A      V    53_A     0.350     0    0.013   0.054     0.464  100.000  100.000
LGA    T    54_A      T    54_A     0.380     0    0.118   1.094     2.832  100.000   88.639
LGA    N    55_A      N    55_A     0.489     0    0.044   0.416     1.150   95.238   94.107
LGA    G    56_A      G    56_A     0.693     0    0.501   0.501     2.780   82.143   82.143
LGA    K    57_A      K    57_A     1.520     0    0.600   1.049     7.623   69.286   50.529
LGA    G    58_A      G    58_A     2.484     0    0.069   0.069     2.484   66.786   66.786
LGA    A    59_A      A    59_A     1.311     0    0.102   0.106     1.737   86.190   85.238
LGA    M    60_A      M    60_A     0.885     0    0.014   0.525     1.885   88.214   85.000
LGA    P    61_A      P    61_A     0.202     0    0.053   0.167     0.991   97.619   95.918
LGA    A    62_A      A    62_A     0.233     0    0.035   0.041     0.404  100.000  100.000
LGA    F    63_A      F    63_A     0.548     0    0.015   0.227     0.960   90.476   90.476
LGA    G    64_A      G    64_A     0.543     0    0.037   0.037     0.722   90.476   90.476
LGA    S    65_A      S    65_A     0.856     0    0.062   0.664     3.583   88.214   79.603
LGA    K    66_A      K    66_A     0.344     0    0.079   0.777     1.589   97.619   88.730
LGA    L    67_A      L    67_A     0.297     0    0.032   0.044     0.433  100.000  100.000
LGA    S    68_A      S    68_A     0.469     0    0.039   0.036     0.626  100.000   96.825
LGA    A    69_A      A    69_A     0.363     0    0.013   0.018     0.395  100.000  100.000
LGA    D    70_A      D    70_A     0.274     0    0.041   0.157     1.133  100.000   96.488
LGA    D    71_A      D    71_A     0.217     0    0.017   0.276     0.955  100.000   98.810
LGA    I    72_A      I    72_A     0.153     0    0.011   0.595     1.695  100.000   95.417
LGA    A    73_A      A    73_A     0.173     0    0.014   0.026     0.239  100.000  100.000
LGA    D    74_A      D    74_A     0.099     0    0.014   0.085     0.479  100.000  100.000
LGA    V    75_A      V    75_A     0.180     0    0.048   0.885     2.114  100.000   89.728
LGA    A    76_A      A    76_A     0.057     0    0.007   0.018     0.108  100.000  100.000
LGA    S    77_A      S    77_A     0.129     0    0.008   0.014     0.192  100.000  100.000
LGA    Y    78_A      Y    78_A     0.265     0    0.031   0.083     0.517  100.000   99.206
LGA    V    79_A      V    79_A     0.197     0    0.009   0.044     0.296  100.000  100.000
LGA    L    80_A      L    80_A     0.149     0    0.017   1.381     3.270  100.000   85.000
LGA    D    81_A      D    81_A     0.454     0    0.007   0.048     1.079  100.000   92.976
LGA    Q    82_A      Q    82_A     0.556     0    0.008   0.977     5.007   97.619   73.704
LGA    S    83_A      S    83_A     0.577     0    0.040   0.582     2.303   92.857   87.778
LGA    E    84_A      E    84_A     0.620     0    0.038   0.844     5.024   95.238   75.714
LGA    K    85_A      K    85_A     0.430     0    0.134   0.115     1.051   95.238   91.587
LGA    G    86_A      G    86_A     2.100     0    0.477   0.477     4.236   60.119   60.119
LGA    W    87_A      W    87_A     1.989     0    0.347   0.753     8.310   58.214   36.735
LGA    Q    88_A      Q    88_A     7.206     0    0.051   0.405    13.991   15.833    7.249
LGA    G    89_A      G    89_A     8.130     0    0.174   0.174     8.130    8.214    8.214

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       89     356    356  100.00     636    636  100.00                89
SUMMARY(RMSD_GDC):     2.012          1.935                  2.426           83.414   78.805

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89   89    4.0     85    1.23    85.955    92.342     6.381

LGA_LOCAL      RMSD:   1.232  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.067  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:   2.012  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.926722 * X  +   0.026799 * Y  +  -0.374790 * Z  +   4.593649
  Y_new =   0.336843 * X  +  -0.382737 * Y  +  -0.860261 * Z  + -28.434374
  Z_new =  -0.166500 * X  +  -0.923468 * Y  +   0.345664 * Z  +  12.708148 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.792962  0.167280 -1.212630   [DEG:  160.0249    9.5844  -69.4786 ]
ZXZ: -0.410873  1.217850 -2.963210   [DEG:  -23.5413   69.7777 -169.7794 ]
 
# END of job
