
#######################################################
#                                                     #
#                        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  101 (  816),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        1.74     1.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        1.74     1.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       9_A - 86_A        0.95     1.90
  LCS_AVERAGE:     90.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      5   83   83      0    5    5    7    8    9   11   65   75   80   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      7   83   83      4    5    9   19   45   66   77   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A     77   83   83      4    5   16   30   67   76   78   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A     78   83   83      4    5   70   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     78   83   83     10   31   61   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     78   83   83     35   69   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     78   83   83     48   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     78   83   83     22   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     78   83   83     31   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     78   83   83     59   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     78   83   83     59   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     78   83   83     15   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     78   83   83     13   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     78   83   83     15   58   73   75   76   76   79   80   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     78   83   83     13   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     78   83   83     35   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     78   83   83     60   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     78   83   83     32   69   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     78   83   83     54   70   73   75   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     78   83   83      4   22   61   74   76   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     78   83   83      4    5   31   57   65   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A     78   83   83      4    5   42   57   71   77   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A     77   83   83      3    3    3   10   65   76   79   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   83   83      3    7   24   42   61   76   78   81   82   82   83   83   83   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  96.92  (  90.77  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     70     73     75     76     77     79     81     82     82     83     83     83     83     83     83     83     83     83     83 
GDT PERCENT_AT  72.29  84.34  87.95  90.36  91.57  92.77  95.18  97.59  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.43   0.49   0.64   0.71   0.93   1.03   1.48   1.49   1.49   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74
GDT RMS_ALL_AT   2.00   2.01   1.99   1.95   1.93   1.89   1.89   1.76   1.76   1.76   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    24_B      E    24_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  Y    79_B      Y    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A     8.618     0    0.574   1.280    11.222    2.381    0.996
LGA    K     7_B      K     7_A     6.270     0    0.144   1.235    10.653   23.452   13.439
LGA    P     8_B      P     8_A     4.359     0    0.041   0.335     6.293   39.167   31.020
LGA    K     9_B      K     9_A     1.931     0    0.046   0.894     4.219   68.810   60.476
LGA    A    10_B      A    10_A     2.479     0    0.147   0.181     3.376   62.976   60.381
LGA    K    11_B      K    11_A     0.825     0    0.101   0.687     2.152   83.810   79.683
LGA    R    12_B      R    12_A     0.915     0    0.026   0.404     1.526   90.476   86.407
LGA    T    13_B      T    13_A     1.172     0    0.036   0.877     3.430   83.690   75.850
LGA    W    14_B      W    14_A     0.930     0    0.050   0.120     1.113   85.952   89.184
LGA    S    15_B      S    15_A     0.968     0    0.022   0.076     1.163   90.476   87.460
LGA    K    16_B      K    16_A     0.592     0    0.033   1.186     4.911   92.857   80.265
LGA    E    17_B      E    17_A     0.710     0    0.026   0.618     2.977   90.476   83.810
LGA    E    18_B      E    18_A     0.376     0    0.005   0.047     0.878   97.619   94.709
LGA    E    19_B      E    19_A     0.168     0    0.043   0.716     2.390  100.000   93.968
LGA    E    20_B      E    20_A     0.263     0    0.077   0.238     1.174  100.000   94.762
LGA    A    21_B      A    21_A     0.358     0    0.022   0.025     0.441  100.000  100.000
LGA    L    22_B      L    22_A     0.240     0    0.048   0.060     0.768  100.000   96.429
LGA    V    23_B      V    23_A     0.387     0    0.014   0.080     0.517   97.619   98.639
LGA    E    24_B      E    24_A     0.383     0    0.035   1.056     3.335  100.000   81.958
LGA    G    25_B      G    25_A     0.245     0    0.033   0.033     0.411  100.000  100.000
LGA    L    26_B      L    26_A     0.326     0    0.071   0.075     0.761   97.619   96.429
LGA    K    27_B      K    27_A     0.449     0    0.170   0.867     1.802   92.976   91.799
LGA    E    28_B      E    28_A     0.400     0    0.031   0.921     3.791   97.619   78.413
LGA    V    29_B      V    29_A     0.367     0    0.009   0.067     0.402  100.000  100.000
LGA    G    30_B      G    30_A     0.340     0    0.018   0.018     0.343  100.000  100.000
LGA    P    31_B      P    31_A     0.417     0    0.019   0.041     0.527   97.619   97.279
LGA    S    32_B      S    32_A     0.403     0    0.014   0.668     2.385  100.000   94.127
LGA    W    33_B      W    33_A     0.266     0    0.023   0.051     0.490  100.000  100.000
LGA    S    34_B      S    34_A     0.102     0    0.092   0.698     1.969  100.000   95.476
LGA    K    35_B      K    35_A     0.162     0    0.009   0.665     2.488  100.000   95.026
LGA    I    36_B      I    36_A     0.213     0    0.035   0.046     0.373  100.000  100.000
LGA    L    37_B      L    37_A     0.153     0    0.029   0.051     0.262  100.000  100.000
LGA    D    38_B      D    38_A     0.244     0    0.077   0.200     0.835   97.619   97.619
LGA    L    39_B      L    39_A     0.370     0    0.018   0.138     0.556  100.000   98.810
LGA    Y    40_B      Y    40_A     0.432     0    0.039   0.120     0.793  100.000   96.032
LGA    G    41_B      G    41_A     0.528     0    0.021   0.021     0.696   92.857   92.857
LGA    P    42_B      P    42_A     0.894     0    0.060   0.299     1.516   90.476   87.959
LGA    G    43_B      G    43_A     1.212     0    0.069   0.069     1.218   81.429   81.429
LGA    G    44_B      G    44_A     0.938     0    0.058   0.058     1.152   83.690   83.690
LGA    K    45_B      K    45_A     1.362     0    0.126   0.677     2.933   77.262   72.328
LGA    I    46_B      I    46_A     1.038     0    0.049   0.060     1.260   81.429   83.690
LGA    T    47_B      T    47_A     0.634     0    0.030   0.150     0.681   90.476   91.837
LGA    E    48_B      E    48_A     0.544     0    0.009   0.302     1.382   92.857   90.529
LGA    N    49_B      N    49_A     0.210     0    0.106   0.163     0.967   97.619   95.238
LGA    L    50_B      L    50_A     0.361     0    0.017   0.089     0.554   97.619   98.810
LGA    K    51_B      K    51_A     0.621     0    0.074   0.733     3.499   90.476   84.974
LGA    N    52_B      N    52_A     0.863     0    0.031   1.111     2.569   90.476   83.095
LGA    R    53_B      R    53_A     0.705     0    0.042   0.090     1.183   95.238   89.740
LGA    T    54_B      T    54_A     0.313     0    0.053   0.093     0.617   97.619   95.918
LGA    Q    55_B      Q    55_A     0.418     0    0.030   0.147     0.745  100.000   96.825
LGA    V    56_B      V    56_A     0.696     0    0.075   0.100     1.167   95.238   91.905
LGA    Q    57_B      Q    57_A     0.441     0    0.019   0.507     1.475   97.619   95.820
LGA    L    58_B      L    58_A     0.322     0    0.012   0.074     0.460  100.000  100.000
LGA    K    59_B      K    59_A     0.519     0    0.062   0.762     4.056   97.619   83.968
LGA    D    60_B      D    60_A     0.409     0    0.051   0.103     0.747  100.000   96.429
LGA    K    61_B      K    61_A     0.480     0    0.020   0.583     2.169   92.857   88.836
LGA    A    62_B      A    62_A     0.513     0    0.018   0.021     0.519   97.619   96.190
LGA    R    63_B      R    63_A     0.583     0    0.017   1.067     3.348   92.857   82.814
LGA    N    64_B      N    64_A     0.767     0    0.019   0.076     0.912   90.476   90.476
LGA    W    65_B      W    65_A     0.878     0    0.008   0.142     0.907   90.476   93.197
LGA    K    66_B      K    66_A     0.900     0    0.021   0.322     1.437   90.476   91.587
LGA    L    67_B      L    67_A     1.017     0    0.028   1.400     4.048   83.690   71.190
LGA    Q    68_B      Q    68_A     1.223     0    0.036   0.665     1.788   81.429   80.476
LGA    Y    69_B      Y    69_A     1.267     0    0.025   0.130     1.441   81.429   85.198
LGA    L    70_B      L    70_A     1.316     0    0.017   0.178     1.518   79.286   79.286
LGA    K    71_B      K    71_A     1.594     0    0.023   1.305     6.135   75.000   63.651
LGA    S    72_B      S    72_A     2.000     0    0.021   0.621     2.457   66.786   67.460
LGA    G    73_B      G    73_A     2.193     0    0.046   0.046     2.193   64.762   64.762
LGA    K    74_B      K    74_A     1.746     0    0.039   0.967     6.153   72.857   60.106
LGA    P    75_B      P    75_A     1.296     0    0.011   0.327     2.048   81.429   79.048
LGA    L    76_B      L    76_A     1.143     0    0.047   1.310     3.364   83.690   77.560
LGA    P    77_B      P    77_A     0.517     0    0.051   0.060     0.968   90.476   91.837
LGA    D    78_B      D    78_A     0.829     0    0.027   0.674     2.778   90.476   85.179
LGA    Y    79_B      Y    79_A     0.652     0    0.138   0.164     0.815   90.476   90.476
LGA    L    80_B      L    80_A     0.806     0    0.072   0.074     0.824   90.476   90.476
LGA    I    81_B      I    81_A     0.834     0    0.044   0.652     1.313   90.476   85.952
LGA    K    82_B      K    82_A     0.636     0    0.130   0.727     2.713   95.238   81.164
LGA    V    83_B      V    83_A     0.242     0    0.122   0.144     0.831  100.000   97.279
LGA    T    84_B      T    84_A     1.823     0    0.060   1.191     5.502   67.262   55.850
LGA    G    85_B      G    85_A     3.599     0    0.096   0.096     3.599   51.905   51.905
LGA    N    86_B      N    86_A     3.580     0    0.519   1.207     5.428   46.667   43.690
LGA    L    87_B      L    87_A     3.599     0    0.065   0.728     9.141   48.452   30.595
LGA    E    88_B      E    88_A     4.993     0    0.031   1.237    12.511   30.833   15.344

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     1.741          1.728                  2.346           86.278   82.398

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   83    4.0     81    1.48    93.072    95.677     5.118

LGA_LOCAL      RMSD:   1.483  Number of atoms:   81  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.760  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   1.741  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.049674 * X  +  -0.990224 * Y  +  -0.130340 * Z  +   9.092949
  Y_new =  -0.882114 * X  +  -0.104701 * Y  +   0.459253 * Z  + -21.538244
  Z_new =  -0.468410 * X  +   0.092162 * Y  +  -0.878691 * Z  +  27.123421 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.514543  0.487491  3.037090   [DEG:  -86.7769   27.9311  174.0124 ]
ZXZ: -2.865056  2.643910 -1.376523   [DEG: -164.1556  151.4849  -78.8690 ]
 
# END of job
