
#######################################################
#                                                     #
#                        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        1.06     1.06
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.06     1.06
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70       5_B - 74_B        0.94     1.07
  LCS_AVERAGE:     78.80

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     70   86   86      4   42   74   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B     70   86   86     22   63   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     70   86   86     12   46   73   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     70   86   86     30   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     70   86   86      8   67   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     70   86   86     28   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     70   86   86     25   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     70   86   86     25   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     70   86   86     40   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     70   86   86     40   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     70   86   86     40   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     70   86   86     40   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     70   86   86     28   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     70   86   86     28   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     70   86   86     28   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     70   86   86     22   67   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     70   86   86     11   52   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     70   86   86      9   67   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     70   86   86      9   35   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     70   86   86     11   52   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     70   86   86     28   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     70   86   86     32   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     70   86   86     23   67   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     70   86   86     28   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     70   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     70   86   86      5   64   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     70   86   86      5   20   61   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     70   86   86      3   10   29   59   80   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     58   86   86      4   10   12   36   80   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     58   86   86      5   18   41   79   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     58   86   86     23   68   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     58   86   86     30   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     58   86   86     38   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     58   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     58   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     58   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     58   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     58   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     58   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     58   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     58   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     58   86   86     24   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     58   86   86      6   63   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     58   86   86     41   69   78   83   84   85   86   86   86   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  92.93  (  78.80  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     41     69     78     83     84     85     86     86     86     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  47.67  80.23  90.70  96.51  97.67  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.54   0.68   0.83   0.89   0.96   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06
GDT RMS_ALL_AT   1.22   1.14   1.12   1.09   1.08   1.07   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06   1.06

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    34_B      E    34_B
#   possible swapping detected:  D    56_B      D    56_B
#   possible swapping detected:  E    60_B      E    60_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    90_B      Y    90_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     1.851     0    0.599   0.919     7.134   70.476   47.407
LGA    P     6_B      P     6_B     1.369     0    0.076   0.413     3.227   79.286   70.952
LGA    N     7_B      N     7_B     1.992     0    0.236   1.267     3.078   81.786   72.679
LGA    E     8_B      E     8_B     0.612     0    0.156   0.625     6.076   90.595   61.746
LGA    I     9_B      I     9_B     0.118     0    0.069   0.147     0.897   97.619   96.429
LGA    V    10_B      V    10_B     0.409     0    0.038   0.070     0.758   95.238   93.197
LGA    I    11_B      I    11_B     0.696     0    0.072   1.020     2.412   85.952   79.583
LGA    T    12_B      T    12_B     1.547     0    0.112   1.172     3.135   79.286   72.109
LGA    K    13_B      K    13_B     0.552     0    0.146   1.499     6.999   90.476   70.582
LGA    S    14_B      S    14_B     1.045     0    0.081   0.121     1.581   81.548   80.079
LGA    K    15_B      K    15_B     0.727     0    0.095   0.344     1.712   90.476   86.561
LGA    R    16_B      R    16_B     0.823     0    0.082   1.040     5.976   90.476   72.381
LGA    I    17_B      I    17_B     0.646     0    0.022   1.121     3.615   92.857   78.393
LGA    E    18_B      E    18_B     0.477     0    0.043   1.547     6.729   97.619   68.254
LGA    D    19_B      D    19_B     0.624     0    0.044   0.171     0.994   90.476   90.476
LGA    Y    20_B      Y    20_B     0.446     0    0.027   0.170     1.049   97.619   92.897
LGA    V    21_B      V    21_B     0.230     0    0.039   0.131     0.354  100.000  100.000
LGA    L    22_B      L    22_B     0.485     0    0.033   0.234     1.408   95.238   91.726
LGA    D    23_B      D    23_B     0.634     0    0.041   0.082     0.891   92.857   91.667
LGA    T    24_B      T    24_B     0.686     0    0.035   1.114     2.662   90.476   82.041
LGA    I    25_B      I    25_B     0.861     0    0.043   0.155     1.356   90.476   88.214
LGA    I    26_B      I    26_B     0.952     0    0.028   1.347     2.898   85.952   76.667
LGA    L    27_B      L    27_B     1.084     0    0.022   0.271     1.644   83.690   82.619
LGA    F    28_B      F    28_B     1.283     0    0.025   0.292     1.539   79.286   81.472
LGA    N    29_B      N    29_B     1.553     0    0.043   1.445     4.349   75.000   64.107
LGA    Q    30_B      Q    30_B     1.436     0    0.080   0.123     2.031   75.119   82.646
LGA    G    31_B      G    31_B     1.913     0    0.043   0.043     1.913   72.857   72.857
LGA    Y    32_B      Y    32_B     1.499     0    0.189   0.223     1.692   77.143   80.000
LGA    E    33_B      E    33_B     0.279     0    0.052   0.837     3.107   97.619   86.455
LGA    E    34_B      E    34_B     0.506     0    0.051   0.597     2.512   92.857   86.825
LGA    V    35_B      V    35_B     0.430     0    0.064   1.175     2.667  100.000   87.483
LGA    E    36_B      E    36_B     0.419     0    0.030   0.169     0.962   97.619   94.709
LGA    I    37_B      I    37_B     0.204     0    0.077   0.115     0.746  100.000   97.619
LGA    R    38_B      R    38_B     0.319     0    0.024   1.276     6.339  100.000   74.675
LGA    G    39_B      G    39_B     0.517     0    0.034   0.034     0.672   92.857   92.857
LGA    S    40_B      S    40_B     0.989     0    0.048   0.592     1.360   85.952   84.444
LGA    G    41_B      G    41_B     1.128     0    0.031   0.031     1.128   83.690   83.690
LGA    Q    42_B      Q    42_B     1.060     0    0.053   1.136     2.738   85.952   78.042
LGA    E    43_B      E    43_B     0.865     0    0.086   0.282     1.428   90.476   86.455
LGA    I    44_B      I    44_B     0.652     0    0.031   0.103     0.988   90.476   90.476
LGA    N    45_B      N    45_B     0.591     0    0.050   1.199     3.881   90.476   78.214
LGA    K    46_B      K    46_B     0.648     0    0.038   0.910     2.088   90.476   83.757
LGA    A    47_B      A    47_B     0.343     0    0.035   0.054     0.386  100.000  100.000
LGA    I    48_B      I    48_B     0.263     0    0.051   0.124     1.011   97.619   95.298
LGA    E    49_B      E    49_B     0.430     0    0.050   0.586     2.029   97.619   92.910
LGA    V    50_B      V    50_B     0.362     0    0.045   0.925     2.571  100.000   90.000
LGA    Y    51_B      Y    51_B     0.528     0    0.039   0.106     1.367   92.857   88.254
LGA    N    52_B      N    52_B     0.839     0    0.018   1.051     3.627   90.476   76.190
LGA    Q    53_B      Q    53_B     0.578     0    0.033   0.607     1.904   90.476   87.513
LGA    L    54_B      L    54_B     0.432     0    0.034   0.300     0.767  100.000   96.429
LGA    V    55_B      V    55_B     0.725     0    0.033   1.241     3.379   90.476   82.177
LGA    D    56_B      D    56_B     0.839     0    0.064   0.364     1.513   88.214   84.881
LGA    R    57_B      R    57_B     0.489     0    0.082   1.652     7.648   95.238   66.190
LGA    L    58_B      L    58_B     0.414     0    0.080   0.156     0.419  100.000  100.000
LGA    K    59_B      K    59_B     0.494     0    0.049   1.200     3.242   97.619   80.635
LGA    E    60_B      E    60_B     0.710     0    0.027   1.174     6.448   90.476   65.344
LGA    G    61_B      G    61_B     0.537     0    0.140   0.140     1.116   88.214   88.214
LGA    V    62_B      V    62_B     0.214     0    0.023   0.881     2.342  100.000   91.088
LGA    R    63_B      R    63_B     0.231     0    0.050   1.491     6.472  100.000   68.355
LGA    L    64_B      L    64_B     0.254     0    0.037   0.122     0.770  100.000   98.810
LGA    E    65_B      E    65_B     0.336     0    0.101   0.601     2.974  100.000   79.894
LGA    K    66_B      K    66_B     0.522     0    0.074   1.195     3.611   97.619   79.206
LGA    V    67_B      V    67_B     0.551     0    0.052   1.070     2.317   92.857   84.490
LGA    D    68_B      D    68_B     1.172     0    0.031   0.776     4.023   85.952   69.464
LGA    I    69_B      I    69_B     1.056     0    0.060   0.178     1.821   81.429   79.286
LGA    G    70_B      G    70_B     0.673     0    0.085   0.085     0.781   90.476   90.476
LGA    S    71_B      S    71_B     0.454     0    0.043   0.616     2.868   92.976   86.587
LGA    E    72_B      E    72_B     1.071     0    0.038   0.657     2.925   85.952   72.646
LGA    V    73_B      V    73_B     2.096     0    0.034   0.123     3.383   61.190   58.435
LGA    K    74_B      K    74_B     3.169     0    0.088   0.270     5.556   53.690   42.910
LGA    D    75_B      D    75_B     4.219     0    0.616   0.618     5.770   34.762   33.810
LGA    R    76_B      R    76_B     2.593     0    0.265   1.452     5.611   67.143   46.753
LGA    R    77_B      R    77_B     0.694     0    0.033   1.251     5.147   83.810   61.861
LGA    R    78_B      R    78_B     1.004     0    0.035   1.200     9.813   85.952   48.095
LGA    I    79_B      I    79_B     1.032     0    0.090   1.084     2.920   92.976   77.976
LGA    S    80_B      S    80_B     0.901     0    0.036   0.043     1.029   88.214   87.460
LGA    Y    81_B      Y    81_B     0.732     0    0.039   0.097     1.028   90.476   89.722
LGA    I    82_B      I    82_B     0.562     0    0.025   0.110     0.779   95.238   92.857
LGA    L    83_B      L    83_B     0.404     0    0.035   1.391     3.450   95.238   81.607
LGA    L    84_B      L    84_B     0.490     0    0.067   0.840     1.978   95.238   88.452
LGA    R    85_B      R    85_B     0.411     0    0.018   1.310     3.769  100.000   80.606
LGA    L    86_B      L    86_B     0.122     0    0.028   0.097     0.367  100.000  100.000
LGA    K    87_B      K    87_B     0.407     0    0.102   0.612     2.100   95.238   85.820
LGA    R    88_B      R    88_B     1.041     0    0.038   1.081     3.131   85.952   71.255
LGA    I    89_B      I    89_B     1.477     0    0.053   1.241     3.346   79.286   72.202
LGA    Y    90_B      Y    90_B     0.807     0    0.193   0.381     1.507   88.214   84.484

# 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):     1.060          1.092                  2.025           89.157   80.606

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     86    1.06    94.186    97.277     7.413

LGA_LOCAL      RMSD:   1.060  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.060  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.060  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.249686 * X  +   0.415685 * Y  +   0.874564 * Z  + -21.263182
  Y_new =  -0.956998 * X  +   0.243685 * Y  +   0.157395 * Z  + -37.606239
  Z_new =  -0.147692 * X  +  -0.876255 * Y  +   0.458654 * Z  +  10.161165 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.315580  0.148234 -1.088584   [DEG:  -75.3772    8.4932  -62.3713 ]
ZXZ:  1.748860  1.094316 -2.974613   [DEG:  100.2023   62.6997 -170.4328 ]
 
# END of job
