
#######################################################
#                                                     #
#                        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   83 (  623),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  623),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:E  -ch2:E  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       1_E - 83_E        3.62     3.62
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54      29_E - 82_E        1.99     4.25
  LONGEST_CONTINUOUS_SEGMENT:    54      30_E - 83_E        2.00     4.31
  LCS_AVERAGE:     52.47

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      38_E - 58_E        0.96     6.59
  LONGEST_CONTINUOUS_SEGMENT:    21      39_E - 59_E        0.91     6.88
  LONGEST_CONTINUOUS_SEGMENT:    21      40_E - 60_E        0.98     6.89
  LCS_AVERAGE:     22.78

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     M     1_E     M     1_E      3   21   83      0    3    3    3    3    5   19   20   21   60   62   71   82   83   83   83   83   83   83   83 
LCS_GDT     S     2_E     S     2_E     18   21   83      4   12   16   18   18   19   23   32   52   70   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     G     3_E     G     3_E     18   21   83      4   18   20   24   33   40   53   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     D     4_E     D     4_E     18   21   83      8   15   17   18   18   48   53   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     N     5_E     N     5_E     18   21   83      8   15   17   18   18   19   20   21   38   56   78   80   82   83   83   83   83   83   83   83 
LCS_GDT     F     6_E     F     6_E     18   21   83      8   15   17   18   22   26   36   47   61   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L     7_E     L     7_E     18   21   83      9   15   19   31   37   49   56   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     K     8_E     K     8_E     18   21   83      8   15   17   18   18   19   20   20   61   71   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A     9_E     A     9_E     18   21   83      8   15   17   18   18   19   20   20   38   56   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     F    10_E     F    10_E     18   21   83      9   16   20   24   30   39   46   56   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    11_E     A    11_E     18   21   83      9   15   17   31   37   46   53   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    12_E     A    12_E     18   21   83      9   15   17   18   18   19   20   35   52   71   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    13_E     L    13_E     18   21   83      9   15   17   21   26   33   39   47   60   69   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     E    14_E     E    14_E     18   21   83      9   15   17   18   18   22   41   49   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    15_E     A    15_E     18   21   83      9   15   17   18   24   40   49   51   62   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    16_E     L    16_E     18   21   83      9   15   17   18   18   19   37   51   62   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    17_E     A    17_E     18   21   83      9   15   17   18   26   37   46   57   66   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    18_E     A    18_E     18   21   83      6   15   17   18   18   19   20   48   59   71   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    19_E     L    19_E     18   25   83      5   13   17   18   18   31   37   48   61   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     P    20_E     P    20_E     18   26   83      3    4    5   18   24   32   37   45   60   67   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    21_E     A    21_E      5   27   83      3    4    5   17   23   27   36   41   60   65   75   81   82   83   83   83   83   83   83   83 
LCS_GDT     S    22_E     S    22_E     20   27   83      3   11   19   24   28   35   42   54   62   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    23_E     A    23_E     20   27   83      8   18   20   33   42   50   57   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     K    24_E     K    24_E     20   27   83      9   18   20   26   37   49   55   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     E    25_E     E    25_E     20   27   83      9   18   21   29   41   50   57   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    26_E     L    26_E     20   27   83      8   18   22   35   43   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     Q    27_E     Q    27_E     20   27   83      7   18   20   33   42   52   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    28_E     L    28_E     20   27   83      9   18   21   33   42   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     E    29_E     E    29_E     20   54   83      9   18   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    30_E     L    30_E     20   54   83      9   18   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     I    31_E     I    31_E     20   54   83      9   18   22   35   44   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     K    32_E     K    32_E     20   54   83      9   18   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     Q    33_E     Q    33_E     20   54   83      9   18   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     F    34_E     F    34_E     20   54   83      9   18   24   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     M    35_E     M    35_E     20   54   83      7   18   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    36_E     A    36_E     20   54   83      9   18   23   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     E    37_E     E    37_E     20   54   83      8   18   22   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    38_E     A    38_E     21   54   83      7   18   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     M    39_E     M    39_E     21   54   83      7   18   24   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     K    40_E     K    40_E     21   54   83      8   18   24   32   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     I    41_E     I    41_E     21   54   83      3    5   24   35   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     G    42_E     G    42_E     21   54   83     13   17   24   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     N    43_E     N    43_E     21   54   83      7   17   24   36   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     K    44_E     K    44_E     21   54   83      7   17   24   34   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     E    45_E     E    45_E     21   54   83     13   17   24   32   45   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     G    46_E     G    46_E     21   54   83     13   17   24   33   46   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    47_E     L    47_E     21   54   83     13   17   24   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    48_E     L    48_E     21   54   83     13   17   24   34   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    49_E     L    49_E     21   54   83     13   17   24   32   45   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    50_E     L    50_E     21   54   83     13   17   24   34   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    51_E     A    51_E     21   54   83     13   17   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     E    52_E     E    52_E     21   54   83     13   17   24   34   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     R    53_E     R    53_E     21   54   83     13   17   24   34   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    54_E     L    54_E     21   54   83     13   17   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     E    55_E     E    55_E     21   54   83     13   17   24   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    56_E     A    56_E     21   54   83     13   17   24   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    57_E     L    57_E     21   54   83      9   17   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     K    58_E     K    58_E     21   54   83      7   17   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     P    59_E     P    59_E     21   54   83      6   12   22   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     K    60_E     K    60_E     21   54   83      4   15   25   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     V    61_E     V    61_E     20   54   83      3    7   22   32   46   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     S    62_E     S    62_E     18   54   83      5   14   24   37   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     P    63_E     P    63_E     18   54   83      5    8   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     E    64_E     E    64_E     18   54   83      5    6   14   29   42   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     I    65_E     I    65_E     18   54   83      5   11   19   33   45   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    66_E     A    66_E     18   54   83      7   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     V    67_E     V    67_E     18   54   83      7   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    68_E     L    68_E     18   54   83      7   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     V    69_E     V    69_E     18   54   83      7   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     E    70_E     E    70_E     18   54   83      7   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     K    71_E     K    71_E     18   54   83      7   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    72_E     A    72_E     18   54   83      7   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    73_E     A    73_E     18   54   83      8   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     E    74_E     E    74_E     18   54   83      8   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     M    75_E     M    75_E     18   54   83      8   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    76_E     L    76_E     18   54   83      8   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     K    77_E     K    77_E     18   54   83      8   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    78_E     L    78_E     18   54   83      8   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    79_E     L    79_E     18   54   83      8   15   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    80_E     A    80_E     18   54   83      8   14   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     K    81_E     K    81_E     18   54   83      6   14   26   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     A    82_E     A    82_E     18   54   83      6   14   25   38   47   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_GDT     L    83_E     L    83_E     18   54   83      6   12   23   32   41   53   58   62   67   72   78   81   82   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  58.42  (  22.78   52.47  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     13     18     26     38     47     53     58     62     67     72     78     81     82     83     83     83     83     83     83     83 
GDT PERCENT_AT  15.66  21.69  31.33  45.78  56.63  63.86  69.88  74.70  80.72  86.75  93.98  97.59  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.59   1.14   1.48   1.74   1.95   2.14   2.36   2.60   2.96   3.29   3.50   3.55   3.62   3.62   3.62   3.62   3.62   3.62   3.62
GDT RMS_ALL_AT   8.11   5.03   4.43   4.18   4.27   4.07   4.09   3.91   3.80   3.70   3.65   3.63   3.63   3.62   3.62   3.62   3.62   3.62   3.62   3.62

# Checking swapping
#   possible swapping detected:  D     4_E      D     4_E
#   possible swapping detected:  E    37_E      E    37_E
#   possible swapping detected:  E    45_E      E    45_E
#   possible swapping detected:  E    55_E      E    55_E
#   possible swapping detected:  E    70_E      E    70_E
#   possible swapping detected:  E    74_E      E    74_E

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_E      M     1_E     7.112     0    0.119   0.929    13.943   15.476    7.798
LGA    S     2_E      S     2_E     6.342     0    0.512   0.654     7.194   18.690   16.984
LGA    G     3_E      G     3_E     4.703     0    0.123   0.123     4.703   35.833   35.833
LGA    D     4_E      D     4_E     4.959     0    0.032   1.098     8.160   30.595   19.345
LGA    N     5_E      N     5_E     7.044     0    0.059   1.048    11.232   15.476    8.095
LGA    F     6_E      F     6_E     5.809     0    0.113   1.454    15.314   27.619   11.299
LGA    L     7_E      L     7_E     4.262     0    0.078   1.350     8.232   38.690   25.655
LGA    K     8_E      K     8_E     6.612     0    0.040   0.992    14.255   17.500    8.254
LGA    A     9_E      A     9_E     7.452     0    0.035   0.039     8.985   14.405   12.095
LGA    F    10_E      F    10_E     5.208     0    0.048   1.517    14.393   31.667   13.247
LGA    A    11_E      A    11_E     4.895     0    0.089   0.095     6.663   33.095   29.143
LGA    A    12_E      A    12_E     7.173     0    0.031   0.036     9.201   15.476   12.667
LGA    L    13_E      L    13_E     6.841     0    0.068   1.183    11.099   19.524   11.310
LGA    E    14_E      E    14_E     4.769     0    0.039   1.296     6.638   34.286   24.392
LGA    A    15_E      A    15_E     6.233     0    0.071   0.066     8.223   21.786   18.381
LGA    L    16_E      L    16_E     7.283     0    0.067   1.409    13.690   14.405    7.381
LGA    A    17_E      A    17_E     5.769     0    0.080   0.081     6.941   26.310   23.714
LGA    A    18_E      A    18_E     5.367     0    0.185   0.193     7.175   26.310   23.048
LGA    L    19_E      L    19_E     7.255     0    0.585   0.633    12.555   14.643    7.500
LGA    P    20_E      P    20_E     9.194     0    0.694   1.075    12.092    2.262    1.293
LGA    A    21_E      A    21_E     9.227     0    0.636   0.572    10.984    1.786    1.429
LGA    S    22_E      S    22_E     7.665     0    0.072   0.157     7.930   12.143   11.508
LGA    A    23_E      A    23_E     3.717     0    0.261   0.257     5.052   39.048   42.667
LGA    K    24_E      K    24_E     4.564     0    0.082   1.040     9.930   35.714   21.746
LGA    E    25_E      E    25_E     3.722     0    0.056   0.750     4.357   45.119   45.714
LGA    L    26_E      L    26_E     2.992     0    0.102   0.160     3.372   55.357   52.679
LGA    Q    27_E      Q    27_E     3.354     0    0.067   0.090     4.754   51.786   43.757
LGA    L    28_E      L    28_E     3.111     0    0.075   1.376     6.809   53.571   44.048
LGA    E    29_E      E    29_E     1.701     0    0.021   0.604     3.232   75.119   67.037
LGA    L    30_E      L    30_E     1.645     0    0.035   0.145     2.363   72.857   68.810
LGA    I    31_E      I    31_E     2.475     0    0.074   0.683     5.863   64.762   54.702
LGA    K    32_E      K    32_E     1.804     0    0.043   0.766     5.593   77.143   60.952
LGA    Q    33_E      Q    33_E     1.034     0    0.060   0.922     2.719   81.429   77.778
LGA    F    34_E      F    34_E     1.577     0    0.097   0.271     4.328   81.548   59.307
LGA    M    35_E      M    35_E     1.055     0    0.067   1.014     2.944   81.548   77.381
LGA    A    36_E      A    36_E     1.782     0    0.036   0.041     2.231   72.976   71.333
LGA    E    37_E      E    37_E     1.517     0    0.021   0.934     2.126   79.286   77.831
LGA    A    38_E      A    38_E     0.721     0    0.109   0.112     0.893   90.476   90.476
LGA    M    39_E      M    39_E     1.896     0    0.136   1.144     2.797   75.000   67.024
LGA    K    40_E      K    40_E     2.351     0    0.279   0.731     3.068   62.857   59.735
LGA    I    41_E      I    41_E     1.919     0    0.619   1.390     4.183   69.286   59.821
LGA    G    42_E      G    42_E     1.895     0    0.226   0.226     1.948   72.857   72.857
LGA    N    43_E      N    43_E     2.006     0    0.082   1.127     6.037   68.810   52.560
LGA    K    44_E      K    44_E     2.613     0    0.028   0.997     8.868   55.476   36.614
LGA    E    45_E      E    45_E     4.031     0    0.059   0.248     8.102   43.452   27.460
LGA    G    46_E      G    46_E     3.364     0    0.035   0.035     3.436   53.571   53.571
LGA    L    47_E      L    47_E     1.444     0    0.070   0.085     2.032   75.119   80.536
LGA    L    48_E      L    48_E     2.826     0    0.024   0.091     5.176   59.048   47.500
LGA    L    49_E      L    49_E     3.850     0    0.046   1.414     9.182   48.333   30.774
LGA    L    50_E      L    50_E     2.732     0    0.061   1.404     6.862   65.000   47.262
LGA    A    51_E      A    51_E     1.074     0    0.028   0.028     1.499   81.429   81.429
LGA    E    52_E      E    52_E     2.561     0    0.022   1.089     9.680   62.857   36.772
LGA    R    53_E      R    53_E     2.752     0    0.040   1.324     4.960   60.952   48.225
LGA    L    54_E      L    54_E     1.796     0    0.051   1.402     3.263   75.000   73.274
LGA    E    55_E      E    55_E     1.078     0    0.090   0.570     4.704   88.214   69.894
LGA    A    56_E      A    56_E     1.811     0    0.129   0.138     2.571   72.976   69.810
LGA    L    57_E      L    57_E     2.135     0    0.145   0.169     3.963   68.810   59.464
LGA    K    58_E      K    58_E     1.591     0    0.053   0.532     2.429   72.976   70.265
LGA    P    59_E      P    59_E     2.164     0    0.170   0.610     3.105   64.881   61.633
LGA    K    60_E      K    60_E     2.527     0    0.161   0.941     4.568   50.833   55.450
LGA    V    61_E      V    61_E     3.094     0    0.101   0.233     4.164   53.571   54.490
LGA    S    62_E      S    62_E     2.667     0    0.082   0.585     3.113   69.405   66.746
LGA    P    63_E      P    63_E     2.699     0    0.069   0.590     3.974   60.952   53.401
LGA    E    64_E      E    64_E     2.841     0    0.161   0.762     7.710   57.262   37.725
LGA    I    65_E      I    65_E     2.393     0    0.217   1.286     6.020   70.833   60.060
LGA    A    66_E      A    66_E     1.112     0    0.070   0.072     1.800   81.548   79.810
LGA    V    67_E      V    67_E     2.046     0    0.047   0.049     3.640   72.976   63.197
LGA    L    68_E      L    68_E     1.371     0    0.027   0.863     4.900   85.952   68.571
LGA    V    69_E      V    69_E     1.035     0    0.039   0.071     2.283   81.548   76.667
LGA    E    70_E      E    70_E     2.233     0    0.038   1.044     2.732   67.024   67.937
LGA    K    71_E      K    71_E     2.090     0    0.094   1.047     8.865   75.119   50.741
LGA    A    72_E      A    72_E     0.372     0    0.060   0.061     0.967   92.857   92.381
LGA    A    73_E      A    73_E     2.041     0    0.052   0.057     2.779   70.952   68.190
LGA    E    74_E      E    74_E     2.193     0    0.070   0.129     4.510   70.952   56.561
LGA    M    75_E      M    75_E     0.824     0    0.033   0.752     1.969   92.976   88.393
LGA    L    76_E      L    76_E     1.195     0    0.051   0.214     2.616   83.690   75.298
LGA    K    77_E      K    77_E     1.696     0    0.034   0.431     3.654   79.286   65.503
LGA    L    78_E      L    78_E     0.926     0    0.080   0.231     2.875   90.476   78.690
LGA    L    79_E      L    79_E     1.248     0    0.023   0.291     1.965   81.548   77.202
LGA    A    80_E      A    80_E     2.029     0    0.048   0.047     2.437   70.833   69.619
LGA    K    81_E      K    81_E     1.049     0    0.126   0.725     5.818   81.429   66.349
LGA    A    82_E      A    82_E     1.738     0    0.074   0.087     2.655   69.048   68.190
LGA    L    83_E      L    83_E     3.480     0    0.098   0.135     4.290   46.905   50.238

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     623    623  100.00                83
SUMMARY(RMSD_GDC):     3.623          3.404                  4.644           56.393   49.211

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     62    2.36    60.542    63.018     2.525

LGA_LOCAL      RMSD:   2.356  Number of atoms:   62  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.912  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   3.623  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.610964 * X  +  -0.758469 * Y  +  -0.226822 * Z  +  55.659077
  Y_new =  -0.791639 * X  +   0.583327 * Y  +   0.181762 * Z  + -39.161316
  Z_new =  -0.005549 * X  +   0.290611 * Y  +  -0.956825 * Z  + -25.472338 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.228086  0.005549  2.846723   [DEG: -127.6599    0.3180  163.1052 ]
ZXZ: -2.246355  2.846672 -0.019093   [DEG: -128.7066  163.1023   -1.0939 ]
 
# END of job
