
#######################################################
#                                                     #
#                        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        1.23     1.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.23     1.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       7_B - 90_B        0.58     1.27
  LCS_AVERAGE:     95.48

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      3   86   86      0    3    3    4    5   58   70   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B      3   86   86      3    3    5    6    6    8   18   25   34   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     84   86   86      5   72   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     84   86   86     43   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     84   86   86     32   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     84   86   86     29   75   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     84   86   86     57   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     84   86   86     57   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     84   86   86     34   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     84   86   86     30   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     84   86   86     10   47   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     84   86   86     16   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     84   86   86     59   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     84   86   86     43   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     84   86   86     47   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     84   86   86     47   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     84   86   86      9   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     84   86   86      8   18   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     84   86   86      9   56   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     84   86   86     33   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     84   86   86     38   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     84   86   86     30   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     84   86   86     47   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     84   86   86     60   78   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     84   86   86      3   29   83   84   84   84   84   84   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  98.49  (  95.48  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     60     78     83     84     84     84     84     84     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  69.77  90.70  96.51  97.67  97.67  97.67  97.67  97.67  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.45   0.56   0.58   0.58   0.58   0.58   0.58   0.92   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23
GDT RMS_ALL_AT   1.28   1.28   1.28   1.27   1.27   1.27   1.27   1.27   1.24   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23   1.23

# Checking swapping
#   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:  E    65_B      E    65_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  Y    81_B      Y    81_B
#   possible swapping detected:  Y    90_B      Y    90_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     6.747     0    0.617   0.698     8.378   14.286   12.275
LGA    P     6_B      P     6_B     8.052     0    0.666   0.767    11.118   12.619    7.347
LGA    N     7_B      N     7_B     1.607     0    0.513   1.204     3.961   76.667   71.250
LGA    E     8_B      E     8_B     0.757     0    0.071   0.972     5.694   90.476   62.169
LGA    I     9_B      I     9_B     0.793     0    0.157   0.529     1.344   88.214   88.214
LGA    V    10_B      V    10_B     0.331     0    0.057   0.079     0.625  100.000   98.639
LGA    I    11_B      I    11_B     0.129     0    0.044   0.109     0.523   97.619   98.810
LGA    T    12_B      T    12_B     0.523     0    0.105   0.154     1.162   97.619   91.973
LGA    K    13_B      K    13_B     0.467     0    0.131   0.846     3.762   92.976   82.487
LGA    S    14_B      S    14_B     1.215     0    0.103   0.114     1.571   79.286   80.000
LGA    K    15_B      K    15_B     0.450     0    0.127   0.666     1.339   95.238   89.577
LGA    R    16_B      R    16_B     0.215     0    0.030   0.177     2.051  100.000   87.619
LGA    I    17_B      I    17_B     0.234     0    0.015   0.145     0.463  100.000  100.000
LGA    E    18_B      E    18_B     0.265     0    0.026   0.068     0.495  100.000  100.000
LGA    D    19_B      D    19_B     0.270     0    0.016   0.132     0.447  100.000  100.000
LGA    Y    20_B      Y    20_B     0.123     0    0.029   0.124     0.318  100.000  100.000
LGA    V    21_B      V    21_B     0.096     0    0.013   0.051     0.223  100.000  100.000
LGA    L    22_B      L    22_B     0.215     0    0.049   1.355     2.963  100.000   85.893
LGA    D    23_B      D    23_B     0.304     0    0.012   0.169     0.576  100.000   98.810
LGA    T    24_B      T    24_B     0.164     0    0.009   0.054     0.289  100.000  100.000
LGA    I    25_B      I    25_B     0.300     0    0.028   0.115     0.820  100.000   97.619
LGA    I    26_B      I    26_B     0.194     0    0.030   0.045     0.403  100.000  100.000
LGA    L    27_B      L    27_B     0.285     0    0.030   0.124     0.559   97.619   98.810
LGA    F    28_B      F    28_B     0.558     0    0.018   0.091     0.847   92.857   97.403
LGA    N    29_B      N    29_B     0.806     0    0.039   1.384     4.527   88.214   71.905
LGA    Q    30_B      Q    30_B     0.834     0    0.060   0.104     1.024   88.214   89.471
LGA    G    31_B      G    31_B     1.476     0    0.051   0.051     1.476   81.429   81.429
LGA    Y    32_B      Y    32_B     0.953     0    0.139   0.200     1.311   85.952   87.460
LGA    E    33_B      E    33_B     0.463     0    0.024   0.741     2.742   97.619   83.228
LGA    E    34_B      E    34_B     0.365     0    0.039   0.190     1.060  100.000   93.704
LGA    V    35_B      V    35_B     0.345     0    0.041   1.125     2.592  100.000   88.844
LGA    E    36_B      E    36_B     0.478     0    0.083   0.545     2.307   95.238   83.862
LGA    I    37_B      I    37_B     0.489     0    0.008   0.069     0.775   97.619   95.238
LGA    R    38_B      R    38_B     0.385     0    0.083   0.547     3.012  100.000   86.450
LGA    G    39_B      G    39_B     0.475     0    0.058   0.058     0.475  100.000  100.000
LGA    S    40_B      S    40_B     0.560     0    0.083   0.653     1.779   97.619   92.302
LGA    G    41_B      G    41_B     0.176     0    0.050   0.050     0.369  100.000  100.000
LGA    Q    42_B      Q    42_B     0.165     0    0.014   0.798     2.285  100.000   92.011
LGA    E    43_B      E    43_B     0.195     0    0.028   0.749     2.256  100.000   89.048
LGA    I    44_B      I    44_B     0.132     0    0.033   0.066     0.462  100.000  100.000
LGA    N    45_B      N    45_B     0.278     0    0.015   0.888     3.301  100.000   85.952
LGA    K    46_B      K    46_B     0.268     0    0.012   0.122     0.594  100.000   97.884
LGA    A    47_B      A    47_B     0.132     0    0.012   0.012     0.235  100.000  100.000
LGA    I    48_B      I    48_B     0.161     0    0.032   0.056     0.368  100.000  100.000
LGA    E    49_B      E    49_B     0.295     0    0.036   0.608     2.131  100.000   88.942
LGA    V    50_B      V    50_B     0.106     0    0.021   0.047     0.241  100.000  100.000
LGA    Y    51_B      Y    51_B     0.150     0    0.025   0.104     0.533  100.000   99.206
LGA    N    52_B      N    52_B     0.416     0    0.059   0.080     0.769   97.619   94.048
LGA    Q    53_B      Q    53_B     0.220     0    0.027   0.081     0.288  100.000  100.000
LGA    L    54_B      L    54_B     0.166     0    0.011   0.036     0.283  100.000  100.000
LGA    V    55_B      V    55_B     0.279     0    0.034   0.056     0.497  100.000  100.000
LGA    D    56_B      D    56_B     0.334     0    0.018   0.754     2.844  100.000   86.845
LGA    R    57_B      R    57_B     0.470     0    0.018   1.627     9.685   95.238   55.065
LGA    L    58_B      L    58_B     0.521     0    0.012   0.044     0.655   92.857   95.238
LGA    K    59_B      K    59_B     0.580     0    0.029   1.094     4.123   95.238   77.037
LGA    E    60_B      E    60_B     0.640     0    0.082   0.831     3.050   90.476   82.434
LGA    G    61_B      G    61_B     0.648     0    0.062   0.062     0.648   90.476   90.476
LGA    V    62_B      V    62_B     0.322     0    0.073   0.099     0.468  100.000  100.000
LGA    R    63_B      R    63_B     0.258     0    0.024   1.317     6.262  100.000   79.524
LGA    L    64_B      L    64_B     0.300     0    0.023   0.069     0.395  100.000  100.000
LGA    E    65_B      E    65_B     0.351     0    0.028   0.203     0.610  100.000   98.942
LGA    K    66_B      K    66_B     0.187     0    0.041   0.763     3.291  100.000   87.513
LGA    V    67_B      V    67_B     0.214     0    0.030   0.037     0.298  100.000  100.000
LGA    D    68_B      D    68_B     0.224     0    0.034   0.076     0.429  100.000  100.000
LGA    I    69_B      I    69_B     0.243     0    0.060   0.063     0.470  100.000  100.000
LGA    G    70_B      G    70_B     0.602     0    0.051   0.051     0.602   97.619   97.619
LGA    S    71_B      S    71_B     0.317     0    0.092   0.610     2.791   92.976   88.175
LGA    E    72_B      E    72_B     0.856     0    0.060   0.650     2.766   92.857   83.810
LGA    V    73_B      V    73_B     1.435     0    0.072   0.079     2.296   75.119   74.150
LGA    K    74_B      K    74_B     1.411     0    0.068   0.866     3.489   81.429   70.582
LGA    D    75_B      D    75_B     0.870     0    0.056   0.077     1.272   88.214   85.952
LGA    R    76_B      R    76_B     0.709     0    0.045   1.068     3.478   92.857   81.472
LGA    R    77_B      R    77_B     0.339     0    0.015   0.816     3.595  100.000   83.420
LGA    R    78_B      R    78_B     0.455     0    0.036   1.397     7.712   95.238   63.680
LGA    I    79_B      I    79_B     0.977     0    0.123   1.092     2.581   90.476   78.750
LGA    S    80_B      S    80_B     0.585     0    0.019   0.030     1.083   95.238   92.143
LGA    Y    81_B      Y    81_B     0.353     0    0.013   0.144     1.599  100.000   89.921
LGA    I    82_B      I    82_B     0.233     0    0.032   0.065     0.352  100.000  100.000
LGA    L    83_B      L    83_B     0.251     0    0.017   1.389     3.319   97.619   82.798
LGA    L    84_B      L    84_B     0.542     0    0.133   0.188     1.070   90.595   90.536
LGA    R    85_B      R    85_B     0.425     0    0.051   1.330     6.149  100.000   74.026
LGA    L    86_B      L    86_B     0.314     0    0.011   0.087     0.541   97.619   98.810
LGA    K    87_B      K    87_B     0.509     0    0.019   0.325     2.039   92.857   87.725
LGA    R    88_B      R    88_B     0.638     0    0.021   1.134     5.632   90.476   68.918
LGA    I    89_B      I    89_B     0.616     0    0.658   0.783     3.180   78.095   80.119
LGA    Y    90_B      Y    90_B     1.474     0    0.147   1.213    10.309   56.905   32.976

# 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):     1.231          1.248                  1.973           93.436   87.308

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     84    0.58    96.512    98.235    12.337

LGA_LOCAL      RMSD:   0.581  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.270  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.231  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.862795 * X  +  -0.487822 * Y  +   0.132721 * Z  +   7.398035
  Y_new =  -0.462675 * X  +   0.867727 * Y  +   0.181608 * Z  +  10.970412
  Z_new =  -0.203758 * X  +   0.095284 * Y  +  -0.974373 * Z  +  -3.212333 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.649367  0.205195  3.044113   [DEG: -151.7975   11.7568  174.4148 ]
ZXZ:  2.510486  2.914715 -1.133377   [DEG:  143.8402  167.0009  -64.9377 ]
 
# END of job
