
#######################################################
#                                                     #
#                        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   90 (  747),  selected   86 , name one
# Molecule2: number of CA atoms   86 (  717),  selected   86 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.69     0.69
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.69     0.69
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        0.69     0.69
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   86
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     K     5_B     K     5_B     86   86   86      7   47   78   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     86   86   86      4   33   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     86   86   86     39   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     86   86   86     31   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     86   86   86     31   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     86   86   86     21   71   81   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     86   86   86     47   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     86   86   86     47   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     86   86   86     40   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     86   86   86     57   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     86   86   86     57   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     86   86   86     57   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     86   86   86     49   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     86   86   86     52   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     86   86   86     58   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     86   86   86     58   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     86   86   86      7   76   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     86   86   86      8   11   75   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     86   86   86      8   11   70   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     86   86   86      6   31   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     86   86   86      8   37   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     86   86   86     57   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     86   86   86     28   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     86   86   86     47   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     86   86   86     59   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     86   86   86     35   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     86   86   86     58   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     86   86   86      4   77   82   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  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     59     77     82     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  68.60  89.53  95.35 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.43   0.58   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69
GDT RMS_ALL_AT   0.73   0.72   0.70   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69   0.69

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  E    36_B      E    36_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  Y    81_B      Y    81_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     1.816     0    0.600   0.666    11.619   72.024   40.899
LGA    P     6_B      P     6_B     1.778     0    0.019   0.332     3.422   75.000   66.327
LGA    N     7_B      N     7_B     0.660     0    0.035   0.135     1.566   92.976   88.393
LGA    E     8_B      E     8_B     0.877     0    0.072   0.845     6.339   88.333   64.074
LGA    I     9_B      I     9_B     1.094     0    0.145   0.130     1.488   81.429   82.560
LGA    V    10_B      V    10_B     0.629     0    0.038   0.095     1.059   90.476   89.184
LGA    I    11_B      I    11_B     0.341     0    0.050   0.120     0.646   97.619   98.810
LGA    T    12_B      T    12_B     0.786     0    0.122   0.177     1.382   90.476   86.599
LGA    K    13_B      K    13_B     0.586     0    0.135   0.876     4.544   88.214   76.402
LGA    S    14_B      S    14_B     1.507     0    0.133   0.143     1.990   77.143   75.714
LGA    K    15_B      K    15_B     0.215     0    0.123   0.682     1.536   95.238   87.619
LGA    R    16_B      R    16_B     0.213     0    0.044   0.187     1.683  100.000   91.645
LGA    I    17_B      I    17_B     0.518     0    0.032   0.063     0.798   95.238   92.857
LGA    E    18_B      E    18_B     0.480     0    0.028   0.100     0.682  100.000   95.767
LGA    D    19_B      D    19_B     0.458     0    0.031   0.109     0.735  100.000   95.238
LGA    Y    20_B      Y    20_B     0.309     0    0.017   0.104     0.906  100.000   94.444
LGA    V    21_B      V    21_B     0.275     0    0.013   0.055     0.333  100.000  100.000
LGA    L    22_B      L    22_B     0.240     0    0.049   1.359     3.038  100.000   85.000
LGA    D    23_B      D    23_B     0.211     0    0.017   0.157     0.329  100.000  100.000
LGA    T    24_B      T    24_B     0.194     0    0.007   0.054     0.448  100.000  100.000
LGA    I    25_B      I    25_B     0.206     0    0.033   0.145     0.885  100.000   97.619
LGA    I    26_B      I    26_B     0.262     0    0.034   0.047     0.683  100.000   97.619
LGA    L    27_B      L    27_B     0.207     0    0.032   0.112     0.549  100.000   98.810
LGA    F    28_B      F    28_B     0.242     0    0.017   0.143     0.559  100.000   99.134
LGA    N    29_B      N    29_B     0.302     0    0.035   1.388     4.099   97.619   79.464
LGA    Q    30_B      Q    30_B     0.196     0    0.045   0.045     0.531  100.000   98.942
LGA    G    31_B      G    31_B     0.799     0    0.020   0.020     0.833   90.476   90.476
LGA    Y    32_B      Y    32_B     0.637     0    0.141   0.154     1.261   88.214   91.310
LGA    E    33_B      E    33_B     0.718     0    0.020   0.725     2.735   90.476   80.053
LGA    E    34_B      E    34_B     0.172     0    0.024   0.255     1.653  100.000   91.799
LGA    V    35_B      V    35_B     0.282     0    0.049   0.046     0.412  100.000  100.000
LGA    E    36_B      E    36_B     0.285     0    0.057   0.112     0.869  100.000   95.767
LGA    I    37_B      I    37_B     0.618     0    0.015   0.059     0.837   92.857   91.667
LGA    R    38_B      R    38_B     0.573     0    0.099   0.176     1.204   92.857   90.519
LGA    G    39_B      G    39_B     0.543     0    0.019   0.019     0.589   95.238   95.238
LGA    S    40_B      S    40_B     0.565     0    0.074   0.657     2.107   95.238   87.857
LGA    G    41_B      G    41_B     0.325     0    0.041   0.041     0.457  100.000  100.000
LGA    Q    42_B      Q    42_B     0.328     0    0.044   0.839     2.506   97.619   91.058
LGA    E    43_B      E    43_B     0.265     0    0.027   0.882     2.871  100.000   86.402
LGA    I    44_B      I    44_B     0.264     0    0.017   0.080     0.467  100.000  100.000
LGA    N    45_B      N    45_B     0.217     0    0.020   1.148     4.159  100.000   85.357
LGA    K    46_B      K    46_B     0.258     0    0.015   0.054     0.584  100.000   97.884
LGA    A    47_B      A    47_B     0.116     0    0.012   0.012     0.164  100.000  100.000
LGA    I    48_B      I    48_B     0.226     0    0.045   0.059     0.651  100.000   98.810
LGA    E    49_B      E    49_B     0.293     0    0.043   1.078     4.177  100.000   77.989
LGA    V    50_B      V    50_B     0.266     0    0.025   0.049     0.455  100.000  100.000
LGA    Y    51_B      Y    51_B     0.103     0    0.028   0.079     0.483  100.000  100.000
LGA    N    52_B      N    52_B     0.338     0    0.058   0.082     0.507  100.000   98.810
LGA    Q    53_B      Q    53_B     0.305     0    0.019   0.111     0.898  100.000   96.825
LGA    L    54_B      L    54_B     0.101     0    0.013   0.044     0.273  100.000  100.000
LGA    V    55_B      V    55_B     0.327     0    0.028   0.052     0.727  100.000   98.639
LGA    D    56_B      D    56_B     0.421     0    0.044   0.114     0.668   97.619   94.048
LGA    R    57_B      R    57_B     0.373     0    0.021   1.516     9.628   95.238   54.329
LGA    L    58_B      L    58_B     0.465     0    0.018   0.043     0.633   95.238   96.429
LGA    K    59_B      K    59_B     0.657     0    0.024   1.113     4.674   92.857   74.550
LGA    E    60_B      E    60_B     0.553     0    0.096   0.877     2.898   92.857   84.286
LGA    G    61_B      G    61_B     0.396     0    0.068   0.068     0.511   97.619   97.619
LGA    V    62_B      V    62_B     0.256     0    0.041   0.053     0.431  100.000  100.000
LGA    R    63_B      R    63_B     0.126     0    0.018   0.141     1.327  100.000   94.848
LGA    L    64_B      L    64_B     0.136     0    0.014   0.070     0.384  100.000  100.000
LGA    E    65_B      E    65_B     0.158     0    0.063   0.611     1.915  100.000   90.794
LGA    K    66_B      K    66_B     0.206     0    0.044   0.761     3.927  100.000   86.772
LGA    V    67_B      V    67_B     0.453     0    0.029   0.035     0.692   95.238   94.558
LGA    D    68_B      D    68_B     0.741     0    0.054   0.162     1.334   90.476   89.345
LGA    I    69_B      I    69_B     0.434     0    0.052   0.053     0.773   92.857   94.048
LGA    G    70_B      G    70_B     0.832     0    0.031   0.031     0.832   90.476   90.476
LGA    S    71_B      S    71_B     0.560     0    0.067   0.620     2.922   88.214   83.413
LGA    E    72_B      E    72_B     1.082     0    0.091   0.721     3.820   85.952   68.571
LGA    V    73_B      V    73_B     1.914     0    0.086   0.093     3.027   65.119   63.878
LGA    K    74_B      K    74_B     2.025     0    0.064   0.873     4.359   70.833   60.265
LGA    D    75_B      D    75_B     1.751     0    0.051   0.093     2.196   75.000   71.905
LGA    R    76_B      R    76_B     1.558     0    0.059   1.040     2.715   77.143   71.515
LGA    R    77_B      R    77_B     0.431     0    0.017   0.822     3.588   95.238   82.554
LGA    R    78_B      R    78_B     0.468     0    0.036   0.746     5.351   95.238   68.658
LGA    I    79_B      I    79_B     1.259     0    0.168   1.111     2.960   83.690   74.286
LGA    S    80_B      S    80_B     0.800     0    0.015   0.046     1.234   92.857   90.556
LGA    Y    81_B      Y    81_B     0.472     0    0.015   0.107     1.100   95.238   90.556
LGA    I    82_B      I    82_B     0.271     0    0.024   0.061     0.475  100.000  100.000
LGA    L    83_B      L    83_B     0.370     0    0.052   0.070     0.667  100.000   96.429
LGA    L    84_B      L    84_B     0.380     0    0.067   0.091     0.770   97.619   97.619
LGA    R    85_B      R    85_B     0.220     0    0.039   1.245     7.630  100.000   65.498
LGA    L    86_B      L    86_B     0.176     0    0.026   0.050     0.443  100.000  100.000
LGA    K    87_B      K    87_B     0.426     0    0.023   0.343     2.066  100.000   92.011
LGA    R    88_B      R    88_B     0.687     0    0.014   1.201     6.135   90.476   67.316
LGA    I    89_B      I    89_B     0.648     0    0.661   0.788     3.241   78.095   82.500
LGA    Y    90_B      Y    90_B     0.902     0    0.155   0.586     8.108   65.119   40.516

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       86     344    344  100.00     717    717  100.00                86
SUMMARY(RMSD_GDC):     0.693          0.789                  1.729           93.966   87.671

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    0.69    97.384    98.827    10.845

LGA_LOCAL      RMSD:   0.693  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.693  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   0.693  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.990094 * X  +   0.132270 * Y  +   0.047100 * Z  +   8.458549
  Y_new =   0.140359 * X  +   0.923784 * Y  +   0.356261 * Z  +  10.345022
  Z_new =   0.003613 * X  +   0.359343 * Y  +  -0.933199 * Z  +  -3.336205 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.000767 -0.003613  2.774027   [DEG:  171.9313   -0.2070  158.9400 ]
ZXZ:  3.010150  2.774010  0.010054   [DEG:  172.4689  158.9391    0.5761 ]
 
# END of job
