
#######################################################
#                                                     #
#                        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  102 (  824),  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        1.56     1.56
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        1.56     1.56
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       7_A - 84_A        0.97     1.61
  LONGEST_CONTINUOUS_SEGMENT:    78       8_A - 85_A        0.92     1.65
  LONGEST_CONTINUOUS_SEGMENT:    78       9_A - 86_A        0.90     1.70
  LONGEST_CONTINUOUS_SEGMENT:    78      10_A - 87_A        0.97     1.69
  LCS_AVERAGE:     91.83

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    4    5    6   11   20   26   49   77   79   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A     78   83   83      4    6    8   20   72   77   79   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A     78   83   83      4    5    6   14   72   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A     78   83   83      4    5    5   73   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     78   83   83     13   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     78   83   83      6   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     78   83   83     61   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     78   83   83     56   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     78   83   83     46   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     78   83   83     61   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     78   83   83     11   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     78   83   83     29   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     78   83   83     29   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     78   83   83     62   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     78   83   83     37   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     78   83   83     57   74   74   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     78   83   83      4   23   61   75   76   77   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     78   83   83      4    4   33   50   69   76   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A     78   83   83      4    4   15   60   71   76   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A     78   83   83      3    3    3    5   52   73   80   81   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   83   83      3    4    9   13   21   36   79   80   82   82   82   83   83   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  97.28  (  91.83  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     62     74     74     75     76     77     80     81     82     82     82     83     83     83     83     83     83     83     83     83 
GDT PERCENT_AT  74.70  89.16  89.16  90.36  91.57  92.77  96.39  97.59  98.80  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.42   0.42   0.52   0.61   0.80   1.12   1.23   1.35   1.35   1.35   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56
GDT RMS_ALL_AT   1.78   1.78   1.78   1.74   1.74   1.67   1.64   1.59   1.58   1.58   1.58   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    24_B      E    24_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  D    38_B      D    38_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
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A     7.773     0    0.596   1.340    12.811    7.976    2.987
LGA    K     7_B      K     7_A     4.586     0    0.130   1.283     6.924   34.524   31.111
LGA    P     8_B      P     8_A     3.919     0    0.074   0.214     4.789   52.619   44.354
LGA    K     9_B      K     9_A     2.794     0    0.021   0.952     5.117   57.262   45.026
LGA    A    10_B      A    10_A     1.673     0    0.101   0.129     2.941   68.929   68.095
LGA    K    11_B      K    11_A     1.356     0    0.186   0.738     3.812   79.286   76.243
LGA    R    12_B      R    12_A     1.193     0    0.074   0.863     3.513   83.690   79.004
LGA    T    13_B      T    13_A     1.260     0    0.056   0.943     3.335   85.952   78.299
LGA    W    14_B      W    14_A     0.936     0    0.046   0.177     1.263   85.952   87.279
LGA    S    15_B      S    15_A     1.013     0    0.014   0.086     1.183   88.214   85.952
LGA    K    16_B      K    16_A     0.934     0    0.033   0.932     1.780   90.476   83.545
LGA    E    17_B      E    17_A     0.824     0    0.037   0.182     0.912   90.476   91.534
LGA    E    18_B      E    18_A     0.414     0    0.061   0.106     0.726   97.619   94.709
LGA    E    19_B      E    19_A     0.416     0    0.034   0.138     0.558  100.000   97.884
LGA    E    20_B      E    20_A     0.536     0    0.105   0.155     1.050   92.857   90.529
LGA    A    21_B      A    21_A     0.323     0    0.020   0.023     0.447  100.000  100.000
LGA    L    22_B      L    22_A     0.165     0    0.015   0.031     0.596  100.000   97.619
LGA    V    23_B      V    23_A     0.125     0    0.049   0.104     0.410  100.000  100.000
LGA    E    24_B      E    24_A     0.276     0    0.043   0.261     1.230  100.000   95.820
LGA    G    25_B      G    25_A     0.325     0    0.015   0.015     0.486  100.000  100.000
LGA    L    26_B      L    26_A     0.298     0    0.044   0.083     0.456  100.000  100.000
LGA    K    27_B      K    27_A     0.339     0    0.123   0.807     1.900   97.619   92.804
LGA    E    28_B      E    28_A     0.309     0    0.039   0.400     1.509  100.000   94.868
LGA    V    29_B      V    29_A     0.419     0    0.043   0.079     0.558  100.000   98.639
LGA    G    30_B      G    30_A     0.326     0    0.034   0.034     0.336  100.000  100.000
LGA    P    31_B      P    31_A     0.368     0    0.019   0.054     0.588   95.238   95.918
LGA    S    32_B      S    32_A     0.656     0    0.022   0.670     2.582   90.476   84.921
LGA    W    33_B      W    33_A     0.606     0    0.033   0.069     0.778   90.476   91.837
LGA    S    34_B      S    34_A     0.471     0    0.053   0.696     2.612   97.619   91.270
LGA    K    35_B      K    35_A     0.441     0    0.027   0.650     2.071  100.000   95.026
LGA    I    36_B      I    36_A     0.530     0    0.023   0.078     0.612   92.857   92.857
LGA    L    37_B      L    37_A     0.550     0    0.025   0.080     0.779   90.476   90.476
LGA    D    38_B      D    38_A     0.546     0    0.023   0.899     2.867   95.238   85.357
LGA    L    39_B      L    39_A     0.390     0    0.023   0.201     0.750  100.000   98.810
LGA    Y    40_B      Y    40_A     0.351     0    0.021   0.113     0.609  100.000   98.413
LGA    G    41_B      G    41_A     0.228     0    0.022   0.022     0.272  100.000  100.000
LGA    P    42_B      P    42_A     0.141     0    0.040   0.045     0.348  100.000  100.000
LGA    G    43_B      G    43_A     0.200     0    0.046   0.046     0.211  100.000  100.000
LGA    G    44_B      G    44_A     0.271     0    0.037   0.037     0.449  100.000  100.000
LGA    K    45_B      K    45_A     0.377     0    0.088   0.568     1.933   97.619   91.799
LGA    I    46_B      I    46_A     0.515     0    0.028   0.047     0.776   92.857   95.238
LGA    T    47_B      T    47_A     0.356     0    0.048   0.159     0.611   97.619   97.279
LGA    E    48_B      E    48_A     0.154     0    0.021   0.263     0.574  100.000   98.942
LGA    N    49_B      N    49_A     0.359     0    0.107   0.166     0.871   95.238   95.238
LGA    L    50_B      L    50_A     0.409     0    0.057   0.088     0.528   97.619   98.810
LGA    K    51_B      K    51_A     0.398     0    0.045   0.704     2.910  100.000   94.180
LGA    N    52_B      N    52_A     0.469     0    0.022   1.101     2.342  100.000   88.810
LGA    R    53_B      R    53_A     0.460     0    0.021   0.101     0.872   95.238   95.671
LGA    T    54_B      T    54_A     0.676     0    0.065   0.093     0.903   90.476   90.476
LGA    Q    55_B      Q    55_A     0.703     0    0.024   0.272     0.957   90.476   90.476
LGA    V    56_B      V    56_A     0.956     0    0.057   0.059     1.394   90.476   86.599
LGA    Q    57_B      Q    57_A     0.740     0    0.018   0.221     0.862   90.476   90.476
LGA    L    58_B      L    58_A     0.506     0    0.034   0.205     0.898   95.238   92.857
LGA    K    59_B      K    59_A     0.615     0    0.048   0.648     2.313   95.238   88.783
LGA    D    60_B      D    60_A     0.583     0    0.044   0.138     0.780   92.857   92.857
LGA    K    61_B      K    61_A     0.437     0    0.043   0.612     2.010   97.619   92.011
LGA    A    62_B      A    62_A     0.393     0    0.018   0.029     0.438  100.000  100.000
LGA    R    63_B      R    63_A     0.445     0    0.028   1.139     3.595   97.619   83.247
LGA    N    64_B      N    64_A     0.415     0    0.025   0.103     0.461  100.000  100.000
LGA    W    65_B      W    65_A     0.401     0    0.035   0.088     0.482  100.000  100.000
LGA    K    66_B      K    66_A     0.438     0    0.019   0.282     1.559  100.000   95.926
LGA    L    67_B      L    67_A     0.526     0    0.019   1.386     3.534   92.857   77.738
LGA    Q    68_B      Q    68_A     0.567     0    0.020   0.979     4.577   90.476   76.508
LGA    Y    69_B      Y    69_A     0.520     0    0.069   0.134     0.831   90.476   96.032
LGA    L    70_B      L    70_A     0.718     0    0.030   0.152     1.074   90.476   89.345
LGA    K    71_B      K    71_A     1.085     0    0.027   1.302     5.421   83.690   72.381
LGA    S    72_B      S    72_A     1.333     0    0.012   0.556     2.056   79.286   77.222
LGA    G    73_B      G    73_A     1.414     0    0.017   0.017     1.414   81.429   81.429
LGA    K    74_B      K    74_A     1.042     0    0.047   0.977     5.520   85.952   70.794
LGA    P    75_B      P    75_A     0.541     0    0.027   0.317     1.347   95.238   93.265
LGA    L    76_B      L    76_A     0.405     0    0.031   0.963     3.254  100.000   87.976
LGA    P    77_B      P    77_A     0.203     0    0.021   0.349     0.576  100.000   97.279
LGA    D    78_B      D    78_A     0.308     0    0.037   0.704     2.392  100.000   93.214
LGA    Y    79_B      Y    79_A     0.327     0    0.127   0.170     0.969  100.000   96.032
LGA    L    80_B      L    80_A     0.463     0    0.080   0.091     0.597  100.000   98.810
LGA    I    81_B      I    81_A     0.418     0    0.067   0.653     1.871   97.619   91.845
LGA    K    82_B      K    82_A     0.713     0    0.121   0.732     2.437   92.857   81.852
LGA    V    83_B      V    83_A     0.218     0    0.173   0.185     0.567   97.619   97.279
LGA    T    84_B      T    84_A     2.102     0    0.035   1.143     6.212   61.190   48.912
LGA    G    85_B      G    85_A     3.645     0    0.138   0.138     3.645   50.119   50.119
LGA    N    86_B      N    86_A     3.836     0    0.542   1.126     6.513   48.452   41.369
LGA    L    87_B      L    87_A     4.059     0    0.085   0.169     8.859   41.786   26.071
LGA    E    88_B      E    88_A     5.149     0    0.041   1.287    12.374   30.476   15.079

# 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):     1.557          1.515                  2.161           89.066   85.318

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     81    1.23    94.277    96.169     6.071

LGA_LOCAL      RMSD:   1.234  Number of atoms:   81  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.592  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   1.557  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.073424 * X  +  -0.974394 * Y  +   0.212520 * Z  +  13.793808
  Y_new =  -0.988687 * X  +  -0.099065 * Y  +  -0.112627 * Z  +   1.405074
  Z_new =   0.130797 * X  +  -0.201846 * Y  +  -0.970644 * Z  +  18.058729 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.496669 -0.131173 -2.936564   [DEG:  -85.7528   -7.5156 -168.2527 ]
ZXZ:  1.083467  2.898692  2.566622   [DEG:   62.0781  166.0828  147.0566 ]
 
# END of job
