
#######################################################
#                                                     #
#                        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   82 (  674),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  632),  selected   79 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       3_A - 81_A        3.19     3.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       3_A - 56_A        1.91     4.40
  LONGEST_CONTINUOUS_SEGMENT:    54       4_A - 57_A        1.98     4.22
  LCS_AVERAGE:     62.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40       3_A - 42_A        0.99     7.18
  LCS_AVERAGE:     43.04

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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     L     3_A     L     3_A     40   54   79      3   20   35   42   46   51   56   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     4_A     L     4_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     5_A     L     5_A     40   54   79     18   30   37   44   47   51   56   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     6_A     C     6_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     P     7_A     P     7_A     40   54   79      9   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     N     8_A     N     8_A     40   54   79     21   30   37   44   47   51   55   62   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     9_A     C     9_A     40   54   79     16   30   37   44   46   51   54   60   66   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    10_A     Q    10_A     40   54   79     16   30   37   44   47   51   55   61   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    11_A     V    11_A     40   54   79      9   28   37   44   47   51   54   61   68   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    12_A     G    12_A     40   54   79     21   30   37   44   47   51   56   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    13_A     M    13_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    14_A     R    14_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    15_A     E    15_A     40   54   79     16   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    16_A     V    16_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    17_A     E    17_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    18_A     R    18_A     40   54   79      7   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    19_A     R    19_A     40   54   79      7   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    20_A     G    20_A     40   54   79      7   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    21_A     V    21_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    22_A     L    22_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    23_A     I    23_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    24_A     D    24_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    25_A     V    25_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    26_A     C    26_A     40   54   79     21   30   37   44   47   52   57   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    27_A     P    27_A     40   54   79     21   30   37   44   47   51   56   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    28_A     Q    28_A     40   54   79     21   30   37   44   47   51   55   61   68   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    29_A     C    29_A     40   54   79     21   30   37   44   47   51   55   61   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    30_A     G    30_A     40   54   79     21   30   37   44   47   51   55   62   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    31_A     G    31_A     40   54   79     15   30   37   44   47   52   57   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    32_A     V    32_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     W    33_A     W    33_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    34_A     L    34_A     40   54   79     21   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    35_A     D    35_A     40   54   79     11   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    36_A     K    36_A     40   54   79     11   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    37_A     G    37_A     40   54   79     11   24   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    38_A     E    38_A     40   54   79     11   28   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    39_A     L    39_A     40   54   79     11   30   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    40_A     E    40_A     40   54   79     11   24   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    41_A     K    41_A     40   54   79     11   24   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    42_A     L    42_A     40   54   79     10   28   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    43_A     L    43_A     35   54   79     11   25   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    44_A     A    44_A     35   54   79     11   25   33   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    45_A     E    45_A     35   54   79     11   25   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    46_A     A    46_A     35   54   79     11   25   37   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    47_A     E    47_A     35   54   79     11   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    48_A     E    48_A     35   54   79     11   25   33   38   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    49_A     V    49_A     35   54   79     11   25   33   44   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     35   54   79     14   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    51_A     R    51_A     35   54   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    52_A     R    52_A     35   54   79     14   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    53_A     Y    53_A     35   54   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    54_A     E    54_A     35   54   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    55_A     E    55_A     35   54   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    56_A     E    56_A     35   54   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    57_A     L    57_A     35   54   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    58_A     E    58_A     35   48   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    59_A     G    59_A     35   48   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    60_A     F    60_A     35   48   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    61_A     Y    61_A     35   43   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    62_A     R    62_A     35   43   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    63_A     K    63_A     35   43   79     15   25   33   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     35   43   79     14   23   33   37   47   50   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    65_A     G    65_A     35   43   79     15   25   33   37   47   50   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    66_A     K    66_A     35   43   79     15   25   33   37   47   49   58   63   68   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    67_A     P    67_A     35   43   79     15   25   33   37   47   50   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    68_A     Y    68_A     35   43   79      4   25   33   37   47   50   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    69_A     K    69_A     35   43   79      5   17   23   37   47   50   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    70_A     R    70_A     33   43   79      8   19   29   37   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     28   43   79      5   15   20   33   47   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    72_A     K    72_A     21   43   79      5   10   15   21   24   41   49   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    73_A     G    73_A     16   43   79      5    6   11   19   24   29   49   58   66   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    74_A     F    74_A      3   43   79      3    4   18   22   31   52   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    75_A     M    75_A      6   43   79      3    5    6   22   27   42   58   64   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    76_A     K    76_A      6   43   79      3    5    6   36   39   44   51   56   66   73   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    77_A     L    77_A      6   35   79      3    5    6   28   30   37   45   55   61   71   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    78_A     F    78_A      6   32   79      3    5    6   22   27   31   49   63   69   74   77   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    79_A     D    79_A      6    9   79      3    5    6    7   10   12   14   18   52   69   72   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    80_A     L    80_A      6    9   79      3    4    6    7    9   39   44   47   56   66   72   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    81_A     F    81_A      4    9   79      3    4    5    7    8   12   28   44   66   73   77   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  68.49  (  43.04   62.43  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     21     30     37     44     47     52     58     64     69     74     77     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  26.58  37.97  46.84  55.70  59.49  65.82  73.42  81.01  87.34  93.67  97.47 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.59   0.84   1.21   1.51   2.01   2.25   2.52   2.73   2.92   3.07   3.19   3.19   3.19   3.19   3.19   3.19   3.19   3.19   3.19
GDT RMS_ALL_AT   8.86   8.34   7.50   6.13   5.21   3.38   3.41   3.23   3.21   3.22   3.20   3.19   3.19   3.19   3.19   3.19   3.19   3.19   3.19   3.19

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    17_A      E    17_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  Y    53_A      Y    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    68_A      Y    68_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     4.382     0    0.486   1.434    10.133   32.976   18.929
LGA    L     4_A      L     4_A     2.923     0    0.090   1.271     4.818   53.571   51.369
LGA    L     5_A      L     5_A     3.599     4    0.036   0.036     3.599   50.119   25.060
LGA    C     6_A      C     6_A     3.124     0    0.018   0.075     3.972   48.333   46.667
LGA    P     7_A      P     7_A     2.792     0    0.034   0.037     3.637   51.905   57.415
LGA    N     8_A      N     8_A     4.741     0    0.116   0.842     6.371   29.524   30.536
LGA    C     9_A      C     9_A     5.805     0    0.048   0.702     6.350   21.548   24.127
LGA    Q    10_A      Q    10_A     5.372     0    0.072   1.354     7.831   23.810   22.169
LGA    V    11_A      V    11_A     5.598     0    0.066   1.116     6.305   27.857   25.170
LGA    G    12_A      G    12_A     4.088     0    0.026   0.026     4.623   38.810   38.810
LGA    M    13_A      M    13_A     2.599     0    0.009   0.706     3.206   57.262   61.190
LGA    R    14_A      R    14_A     2.124     0    0.131   1.199     4.609   68.810   61.991
LGA    E    15_A      E    15_A     0.846     0    0.017   0.797     2.120   88.214   81.640
LGA    V    16_A      V    16_A     0.598     0    0.084   0.101     0.994   90.476   90.476
LGA    E    17_A      E    17_A     1.524     0    0.019   0.655     3.472   79.286   72.275
LGA    R    18_A      R    18_A     1.576     3    0.025   0.208     2.155   70.833   54.589
LGA    R    19_A      R    19_A     2.371     5    0.044   0.413     3.165   61.190   33.333
LGA    G    20_A      G    20_A     3.022     0    0.103   0.103     3.063   53.571   53.571
LGA    V    21_A      V    21_A     2.943     0    0.027   0.093     3.675   60.952   55.306
LGA    L    22_A      L    22_A     2.048     0    0.072   0.896     4.259   68.810   63.333
LGA    I    23_A      I    23_A     1.352     0    0.076   0.284     2.506   85.952   77.440
LGA    D    24_A      D    24_A     0.748     0    0.079   0.319     1.567   85.952   84.881
LGA    V    25_A      V    25_A     2.052     0    0.018   0.064     2.779   66.786   64.830
LGA    C    26_A      C    26_A     3.132     0    0.059   0.119     4.135   48.452   46.825
LGA    P    27_A      P    27_A     4.348     0    0.011   0.038     5.326   34.524   36.531
LGA    Q    28_A      Q    28_A     5.405     0    0.098   0.165     5.855   25.000   23.545
LGA    C    29_A      C    29_A     5.210     0    0.054   0.066     5.247   26.190   28.016
LGA    G    30_A      G    30_A     4.597     0    0.025   0.025     4.760   34.286   34.286
LGA    G    31_A      G    31_A     3.124     0    0.088   0.088     3.676   51.905   51.905
LGA    V    32_A      V    32_A     2.554     0    0.058   1.138     4.508   59.048   54.558
LGA    W    33_A      W    33_A     1.463     0    0.013   0.498     2.430   79.286   79.830
LGA    L    34_A      L    34_A     1.658     0    0.056   0.494     2.855   72.857   69.881
LGA    D    35_A      D    35_A     1.645     0    0.035   0.139     1.850   72.857   76.071
LGA    K    36_A      K    36_A     1.660     0    0.058   0.867     6.149   72.857   61.058
LGA    G    37_A      G    37_A     1.690     0    0.103   0.103     2.243   70.833   70.833
LGA    E    38_A      E    38_A     2.015     0    0.017   1.078     2.496   66.786   67.513
LGA    L    39_A      L    39_A     1.898     0    0.032   0.076     1.945   72.857   72.857
LGA    E    40_A      E    40_A     1.723     0    0.029   0.373     2.189   68.810   73.915
LGA    K    41_A      K    41_A     2.435     0    0.077   0.193     3.377   60.952   58.042
LGA    L    42_A      L    42_A     2.677     0    0.030   1.351     6.262   60.952   49.107
LGA    L    43_A      L    43_A     1.893     0    0.060   0.309     2.099   70.833   73.988
LGA    A    44_A      A    44_A     2.125     0    0.050   0.064     2.420   66.786   66.381
LGA    E    45_A      E    45_A     2.960     0    0.014   1.154     5.205   57.143   46.296
LGA    A    46_A      A    46_A     2.427     0    0.072   0.074     2.609   64.881   64.857
LGA    E    47_A      E    47_A     1.448     0    0.013   0.324     1.765   75.000   77.619
LGA    E    48_A      E    48_A     2.466     0    0.034   0.997     4.562   60.952   52.116
LGA    V    49_A      V    49_A     2.641     0    0.013   0.045     3.382   60.952   57.279
LGA    E    50_A      E    50_A     1.591     0    0.046   0.678     3.669   77.143   65.608
LGA    R    51_A      R    51_A     1.674     0    0.061   1.163     6.930   72.857   50.519
LGA    R    52_A      R    52_A     2.405     0    0.015   1.350     7.279   64.762   49.134
LGA    Y    53_A      Y    53_A     1.926     0    0.014   1.215     4.822   75.119   66.429
LGA    E    54_A      E    54_A     1.150     0    0.066   0.888     4.610   85.952   73.333
LGA    E    55_A      E    55_A     1.109     0    0.018   0.082     1.874   83.690   79.577
LGA    E    56_A      E    56_A     1.275     0    0.012   0.618     3.511   81.429   73.439
LGA    L    57_A      L    57_A     1.569     0    0.076   1.306     3.634   77.143   72.381
LGA    E    58_A      E    58_A     1.344     0    0.045   0.734     2.643   79.286   74.974
LGA    G    59_A      G    59_A     1.140     0    0.009   0.009     1.384   81.429   81.429
LGA    F    60_A      F    60_A     1.900     0    0.069   1.208     4.520   70.952   59.654
LGA    Y    61_A      Y    61_A     2.486     0    0.018   0.219     3.137   60.952   56.627
LGA    R    62_A      R    62_A     2.303     0    0.031   0.787     3.586   62.857   62.857
LGA    K    63_A      K    63_A     2.298     2    0.079   0.683     3.618   60.952   48.148
LGA    E    64_A      E    64_A     3.551     0    0.019   0.771     4.202   43.452   46.508
LGA    G    65_A      G    65_A     3.847     0    0.088   0.088     4.192   41.786   41.786
LGA    K    66_A      K    66_A     4.089     3    0.016   0.041     4.414   43.452   27.566
LGA    P    67_A      P    67_A     3.890     0    0.151   0.403     5.735   41.786   36.735
LGA    Y    68_A      Y    68_A     2.921     0    0.057   0.149     3.400   51.786   66.587
LGA    K    69_A      K    69_A     3.854     2    0.148   0.544     7.084   50.238   28.836
LGA    R    70_A      R    70_A     1.995     0    0.127   1.016     6.005   68.929   53.593
LGA    K    71_A      K    71_A     2.121     0    0.560   0.797     5.169   73.214   54.233
LGA    K    72_A      K    72_A     4.148     0    0.316   0.690     7.403   37.262   32.434
LGA    G    73_A      G    73_A     5.006     0    0.358   0.358     5.006   37.738   37.738
LGA    F    74_A      F    74_A     3.172     0    0.457   0.699     4.712   53.810   46.753
LGA    M    75_A      M    75_A     3.844     0    0.202   0.843     8.791   45.000   26.607
LGA    K    76_A      K    76_A     4.966     0    0.179   0.470    10.672   29.524   17.672
LGA    L    77_A      L    77_A     5.256     0    0.058   0.381     8.995   32.976   20.357
LGA    F    78_A      F    78_A     3.889     0    0.206   0.299    11.315   37.500   17.359
LGA    D    79_A      D    79_A     6.519     0    0.051   0.232     9.229   15.238    9.643
LGA    L    80_A      L    80_A     6.287     0    0.055   1.047     7.088   17.619   18.452
LGA    F    81_A      F    81_A     5.634     0    0.126   0.207     7.668   16.190   37.835

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     632    632  100.00                79
SUMMARY(RMSD_GDC):     3.187          3.185                  3.638           57.260   52.193

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     64    2.52    68.671    70.370     2.440

LGA_LOCAL      RMSD:   2.523  Number of atoms:   64  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.230  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   3.187  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.409123 * X  +  -0.495797 * Y  +  -0.766031 * Z  + -13.534025
  Y_new =  -0.414991 * X  +   0.848760 * Y  +  -0.327703 * Z  +  -6.911806
  Z_new =   0.812651 * X  +   0.183825 * Y  +  -0.552999 * Z  +  16.805347 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.349075 -0.948686  2.820669   [DEG: -134.5921  -54.3557  161.6124 ]
ZXZ: -1.166562  2.156755  1.348336   [DEG:  -66.8391  123.5730   77.2540 ]
 
# END of job
