
#######################################################
#                                                     #
#                        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        1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.21     1.21
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       7_B - 90_B        0.59     1.25
  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   12   60   73   85   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    9   15   22   28   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     84   86   86     15   65   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     84   86   86     36   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     84   86   86     31   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     84   86   86     26   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     84   86   86     42   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     84   86   86     42   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     84   86   86     12   71   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     84   86   86     29   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     84   86   86     55   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     84   86   86     52   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     84   86   86     36   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     84   86   86     30   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     84   86   86     54   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     84   86   86     56   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     84   86   86      8   77   84   84   84   84   84   85   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   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     84   86   86      8   39   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     84   86   86     28   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     84   86   86     36   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     84   86   86     44   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     84   86   86     54   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     84   86   86     55   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     84   86   86     45   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     84   86   86     58   77   84   84   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     84   86   86      4   77   84   84   84   84   84   85   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     58     77     84     84     84     84     84     85     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  67.44  89.53  97.67  97.67  97.67  97.67  97.67  98.84  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    0.27   0.45   0.59   0.59   0.59   0.59   0.59   0.90   0.90   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21
GDT RMS_ALL_AT   1.28   1.28   1.25   1.25   1.25   1.25   1.25   1.22   1.22   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21   1.21

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    18_B      E    18_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:  E    72_B      E    72_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     6.110     0    0.618   0.691     7.440   18.214   17.460
LGA    P     6_B      P     6_B     7.771     0    0.666   0.771    10.849   13.214    7.823
LGA    N     7_B      N     7_B     1.457     0    0.516   1.214     3.354   80.476   74.762
LGA    E     8_B      E     8_B     0.844     0    0.088   0.651     6.484   88.214   59.735
LGA    I     9_B      I     9_B     0.890     0    0.147   0.135     1.531   86.071   88.274
LGA    V    10_B      V    10_B     0.504     0    0.057   0.083     0.785   92.857   91.837
LGA    I    11_B      I    11_B     0.348     0    0.040   0.108     0.489  100.000  100.000
LGA    T    12_B      T    12_B     0.635     0    0.112   0.174     1.210   92.857   87.959
LGA    K    13_B      K    13_B     0.605     0    0.125   0.882     4.413   90.595   78.995
LGA    S    14_B      S    14_B     1.405     0    0.107   0.116     1.816   79.286   77.143
LGA    K    15_B      K    15_B     0.395     0    0.129   0.675     1.493   95.238   88.571
LGA    R    16_B      R    16_B     0.259     0    0.032   0.187     1.717  100.000   89.957
LGA    I    17_B      I    17_B     0.285     0    0.018   0.059     0.341  100.000  100.000
LGA    E    18_B      E    18_B     0.279     0    0.025   0.128     0.371  100.000  100.000
LGA    D    19_B      D    19_B     0.394     0    0.018   0.111     0.765  100.000   95.238
LGA    Y    20_B      Y    20_B     0.285     0    0.026   0.116     0.394  100.000  100.000
LGA    V    21_B      V    21_B     0.208     0    0.009   0.051     0.323  100.000  100.000
LGA    L    22_B      L    22_B     0.361     0    0.051   1.358     2.838  100.000   85.893
LGA    D    23_B      D    23_B     0.417     0    0.013   0.176     0.533  100.000   98.810
LGA    T    24_B      T    24_B     0.251     0    0.007   0.064     0.409  100.000  100.000
LGA    I    25_B      I    25_B     0.325     0    0.032   0.131     0.803  100.000   97.619
LGA    I    26_B      I    26_B     0.290     0    0.031   0.048     0.385  100.000  100.000
LGA    L    27_B      L    27_B     0.265     0    0.027   0.127     0.525   97.619   98.810
LGA    F    28_B      F    28_B     0.518     0    0.025   0.071     0.756   92.857   96.537
LGA    N    29_B      N    29_B     0.841     0    0.026   1.388     4.564   88.214   71.131
LGA    Q    30_B      Q    30_B     0.791     0    0.060   0.077     0.910   90.476   90.476
LGA    G    31_B      G    31_B     1.317     0    0.049   0.049     1.317   81.429   81.429
LGA    Y    32_B      Y    32_B     0.824     0    0.142   0.226     1.294   88.214   88.214
LGA    E    33_B      E    33_B     0.493     0    0.016   0.743     3.114   97.619   81.481
LGA    E    34_B      E    34_B     0.390     0    0.031   0.183     1.274  100.000   91.693
LGA    V    35_B      V    35_B     0.240     0    0.030   0.043     0.258  100.000  100.000
LGA    E    36_B      E    36_B     0.438     0    0.075   0.565     2.438   97.619   85.979
LGA    I    37_B      I    37_B     0.562     0    0.005   0.042     0.785   95.238   92.857
LGA    R    38_B      R    38_B     0.530     0    0.092   0.197     1.797   90.476   84.762
LGA    G    39_B      G    39_B     0.589     0    0.053   0.053     0.589   95.238   95.238
LGA    S    40_B      S    40_B     0.597     0    0.091   0.652     1.743   97.619   90.794
LGA    G    41_B      G    41_B     0.152     0    0.052   0.052     0.368  100.000  100.000
LGA    Q    42_B      Q    42_B     0.145     0    0.012   0.792     2.419  100.000   92.963
LGA    E    43_B      E    43_B     0.270     0    0.029   0.861     2.852  100.000   86.402
LGA    I    44_B      I    44_B     0.243     0    0.039   0.088     0.518  100.000   98.810
LGA    N    45_B      N    45_B     0.278     0    0.033   0.871     3.293  100.000   83.750
LGA    K    46_B      K    46_B     0.274     0    0.013   0.059     0.477  100.000  100.000
LGA    A    47_B      A    47_B     0.091     0    0.012   0.012     0.167  100.000  100.000
LGA    I    48_B      I    48_B     0.148     0    0.049   0.063     0.505  100.000   98.810
LGA    E    49_B      E    49_B     0.316     0    0.042   1.080     4.447  100.000   77.989
LGA    V    50_B      V    50_B     0.132     0    0.024   0.046     0.309  100.000  100.000
LGA    Y    51_B      Y    51_B     0.185     0    0.030   0.068     0.599  100.000   96.032
LGA    N    52_B      N    52_B     0.507     0    0.065   0.076     0.782   95.238   92.857
LGA    Q    53_B      Q    53_B     0.318     0    0.019   0.093     0.504  100.000   98.942
LGA    L    54_B      L    54_B     0.205     0    0.019   0.033     0.361  100.000  100.000
LGA    V    55_B      V    55_B     0.475     0    0.024   0.061     0.764   97.619   95.918
LGA    D    56_B      D    56_B     0.501     0    0.022   0.671     3.044   97.619   84.762
LGA    R    57_B      R    57_B     0.523     0    0.021   1.599     9.676   92.857   54.199
LGA    L    58_B      L    58_B     0.623     0    0.018   0.044     0.777   90.476   90.476
LGA    K    59_B      K    59_B     0.730     0    0.014   0.979     4.776   92.857   77.725
LGA    E    60_B      E    60_B     0.632     0    0.081   0.802     3.070   90.476   81.534
LGA    G    61_B      G    61_B     0.676     0    0.047   0.047     0.676   90.476   90.476
LGA    V    62_B      V    62_B     0.432     0    0.042   0.046     0.553   97.619   94.558
LGA    R    63_B      R    63_B     0.161     0    0.026   0.258     1.654  100.000   92.424
LGA    L    64_B      L    64_B     0.279     0    0.021   0.090     0.430  100.000  100.000
LGA    E    65_B      E    65_B     0.326     0    0.018   0.122     0.576  100.000   98.942
LGA    K    66_B      K    66_B     0.349     0    0.039   0.760     3.928  100.000   85.026
LGA    V    67_B      V    67_B     0.313     0    0.024   0.030     0.457  100.000  100.000
LGA    D    68_B      D    68_B     0.435     0    0.053   0.096     0.649   97.619   97.619
LGA    I    69_B      I    69_B     0.161     0    0.097   1.080     2.567  100.000   85.833
LGA    G    70_B      G    70_B     0.692     0    0.042   0.042     0.692   95.238   95.238
LGA    S    71_B      S    71_B     0.370     0    0.055   0.605     2.703   95.238   89.683
LGA    E    72_B      E    72_B     1.021     0    0.055   0.521     2.928   85.952   79.841
LGA    V    73_B      V    73_B     1.526     0    0.082   0.088     2.431   70.833   71.701
LGA    K    74_B      K    74_B     1.434     0    0.068   0.870     3.508   81.429   69.841
LGA    D    75_B      D    75_B     0.837     0    0.084   0.089     1.256   88.214   85.952
LGA    R    76_B      R    76_B     0.647     0    0.029   1.058     3.410   95.238   82.338
LGA    R    77_B      R    77_B     0.247     0    0.014   0.519     3.777  100.000   77.662
LGA    R    78_B      R    78_B     0.423     0    0.039   1.345     7.517   95.238   63.680
LGA    I    79_B      I    79_B     1.099     0    0.128   1.103     2.782   88.214   77.619
LGA    S    80_B      S    80_B     0.653     0    0.021   0.034     1.127   95.238   92.143
LGA    Y    81_B      Y    81_B     0.409     0    0.012   0.163     1.333  100.000   91.429
LGA    I    82_B      I    82_B     0.263     0    0.033   0.069     0.452  100.000  100.000
LGA    L    83_B      L    83_B     0.276     0    0.011   1.376     3.335   97.619   83.810
LGA    L    84_B      L    84_B     0.569     0    0.114   0.164     1.114   90.595   90.536
LGA    R    85_B      R    85_B     0.342     0    0.068   1.321     5.947  100.000   78.095
LGA    L    86_B      L    86_B     0.077     0    0.012   0.758     2.193  100.000   92.083
LGA    K    87_B      K    87_B     0.460     0    0.023   0.334     2.463   95.238   87.831
LGA    R    88_B      R    88_B     0.642     0    0.013   1.173     6.396   90.476   67.403
LGA    I    89_B      I    89_B     0.626     0    0.631   0.770     3.458   78.095   83.690
LGA    Y    90_B      Y    90_B     1.328     0    0.101   1.397    10.293   55.357   33.690

# 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):     1.213          1.238                  1.967           92.915   86.509

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     85    0.90    96.512    98.292     8.538

LGA_LOCAL      RMSD:   0.896  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.223  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.213  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.552681 * X  +   0.710618 * Y  +   0.435391 * Z  +   6.703660
  Y_new =   0.523949 * X  +  -0.109991 * Y  +   0.844618 * Z  +  14.089587
  Z_new =   0.648090 * X  +   0.694927 * Y  +  -0.311538 * Z  +  -1.047845 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.382875 -0.705074  1.992238   [DEG:  136.5287  -40.3978  114.1468 ]
ZXZ:  2.665631  1.887607  0.750538   [DEG:  152.7294  108.1519   43.0027 ]
 
# END of job
