
#######################################################
#                                                     #
#                        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        2.17     2.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       7_A - 88_A        1.92     2.19
  LCS_AVERAGE:     98.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       9_A - 84_A        0.92     2.36
  LCS_AVERAGE:     85.21

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      4   81   83      0    4    5    5    5    7    8   23   27   32   76   79   83   83   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      4   82   83      4    4   12   28   52   69   74   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A      4   82   83      4    4    9   23   53   69   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A     76   82   83      4    4   20   64   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A     76   82   83      4    4   20   62   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     76   82   83     15   50   71   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     76   82   83     34   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     76   82   83     34   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     76   82   83     44   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     76   82   83     45   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     76   82   83     45   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     76   82   83     34   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     76   82   83     45   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     76   82   83     45   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     76   82   83     45   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     76   82   83     45   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     76   82   83     24   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     76   82   83     28   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     76   82   83     40   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     76   82   83     40   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     76   82   83     40   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     76   82   83     21   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     76   82   83     11   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     76   82   83     11   47   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     76   82   83     11   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     76   82   83     12   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     76   82   83     38   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     76   82   83     34   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     76   82   83     46   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     76   82   83     47   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     76   82   83      6   67   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     76   82   83     31   68   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     76   82   83     13   64   72   74   76   76   77   78   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A     73   82   83      3    3    4    5    9   26   62   73   75   78   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A      3   82   83      3    5   13   32   51   65   69   74   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      3   82   83      3    3    5   11   14   34   65   73   76   80   82   82   83   83   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   82   83      3    3   12   21   32   38   61   68   78   80   82   82   83   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  94.66  (  85.21   98.78  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     47     68     72     74     76     76     77     78     78     80     82     82     83     83     83     83     83     83     83     83 
GDT PERCENT_AT  56.63  81.93  86.75  89.16  91.57  91.57  92.77  93.98  93.98  96.39  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.50   0.56   0.67   0.92   0.92   1.13   1.34   1.34   1.66   1.92   1.92   2.17   2.17   2.17   2.17   2.17   2.17   2.17   2.17
GDT RMS_ALL_AT   2.50   2.44   2.45   2.42   2.36   2.36   2.32   2.27   2.27   2.21   2.19   2.19   2.17   2.17   2.17   2.17   2.17   2.17   2.17   2.17

# 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    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:  D    60_B      D    60_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_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    10.258     0    0.609   1.330    16.068    0.357    0.130
LGA    K     7_B      K     7_A     6.251     0    0.161   1.228     8.897   18.690   15.714
LGA    P     8_B      P     8_A     5.217     0    0.124   0.367     6.116   29.048   24.558
LGA    K     9_B      K     9_A     2.858     0    0.074   0.755     3.624   55.357   58.201
LGA    A    10_B      A    10_A     3.107     0    0.144   0.188     3.471   51.786   51.429
LGA    K    11_B      K    11_A     1.309     0    0.118   0.754     4.690   77.143   70.212
LGA    R    12_B      R    12_A     0.498     0    0.041   0.803     5.487  100.000   71.169
LGA    T    13_B      T    13_A     0.550     0    0.071   0.948     2.809   90.476   82.041
LGA    W    14_B      W    14_A     0.627     0    0.047   0.137     1.290   90.476   88.571
LGA    S    15_B      S    15_A     0.746     0    0.052   0.659     2.356   90.476   86.190
LGA    K    16_B      K    16_A     0.530     0    0.058   1.176     4.138   90.476   82.593
LGA    E    17_B      E    17_A     0.596     0    0.035   0.875     3.938   90.476   80.423
LGA    E    18_B      E    18_A     0.647     0    0.073   0.177     0.947   90.476   92.593
LGA    E    19_B      E    19_A     0.540     0    0.039   0.217     1.232   90.476   89.471
LGA    E    20_B      E    20_A     0.468     0    0.150   0.442     1.181   97.619   93.704
LGA    A    21_B      A    21_A     0.462     0    0.024   0.038     0.531   97.619   98.095
LGA    L    22_B      L    22_A     0.446     0    0.016   0.060     0.678   97.619   95.238
LGA    V    23_B      V    23_A     0.540     0    0.021   0.074     0.698   92.857   91.837
LGA    E    24_B      E    24_A     0.431     0    0.084   1.015     3.983   97.619   83.757
LGA    G    25_B      G    25_A     0.122     0    0.012   0.012     0.223  100.000  100.000
LGA    L    26_B      L    26_A     0.182     0    0.048   0.077     0.546   97.619   98.810
LGA    K    27_B      K    27_A     0.411     0    0.121   0.908     3.154  100.000   89.365
LGA    E    28_B      E    28_A     0.728     0    0.047   0.747     2.949   90.476   77.354
LGA    V    29_B      V    29_A     0.703     0    0.040   0.087     0.861   90.476   90.476
LGA    G    30_B      G    30_A     0.662     0    0.021   0.021     0.662   90.476   90.476
LGA    P    31_B      P    31_A     0.683     0    0.012   0.050     0.804   90.476   90.476
LGA    S    32_B      S    32_A     0.613     0    0.071   0.104     0.745   92.857   92.063
LGA    W    33_B      W    33_A     0.440     0    0.026   0.089     0.575   95.238   98.639
LGA    S    34_B      S    34_A     0.813     0    0.041   0.720     2.449   90.476   84.683
LGA    K    35_B      K    35_A     0.830     0    0.026   0.663     3.766   90.476   81.270
LGA    I    36_B      I    36_A     0.404     0    0.022   0.055     0.570   97.619   98.810
LGA    L    37_B      L    37_A     0.369     0    0.037   0.156     1.005  100.000   94.107
LGA    D    38_B      D    38_A     0.371     0    0.023   0.916     3.733  100.000   83.155
LGA    L    39_B      L    39_A     0.336     0    0.021   0.173     0.984  100.000   97.619
LGA    Y    40_B      Y    40_A     0.464     0    0.022   0.131     1.126  100.000   93.730
LGA    G    41_B      G    41_A     0.288     0    0.020   0.020     0.363  100.000  100.000
LGA    P    42_B      P    42_A     0.557     0    0.045   0.301     1.431   90.476   89.184
LGA    G    43_B      G    43_A     0.896     0    0.049   0.049     0.995   90.476   90.476
LGA    G    44_B      G    44_A     0.738     0    0.036   0.036     0.838   90.476   90.476
LGA    K    45_B      K    45_A     1.205     0    0.059   1.030     6.643   81.429   56.508
LGA    I    46_B      I    46_A     1.135     0    0.022   0.036     1.260   81.429   81.429
LGA    T    47_B      T    47_A     0.646     0    0.056   0.128     1.017   90.476   89.184
LGA    E    48_B      E    48_A     0.222     0    0.022   0.283     1.160   97.619   94.762
LGA    N    49_B      N    49_A     0.885     0    0.111   0.763     2.575   83.810   78.512
LGA    L    50_B      L    50_A     0.933     0    0.060   0.128     1.001   88.214   89.345
LGA    K    51_B      K    51_A     0.907     0    0.076   0.718     2.670   85.952   85.820
LGA    N    52_B      N    52_A     1.101     0    0.031   1.109     3.234   81.429   77.500
LGA    R    53_B      R    53_A     0.866     0    0.056   0.149     1.053   88.214   89.654
LGA    T    54_B      T    54_A     0.746     0    0.065   0.114     1.311   90.476   89.184
LGA    Q    55_B      Q    55_A     0.585     0    0.028   0.585     2.252   90.476   82.698
LGA    V    56_B      V    56_A     0.854     0    0.054   0.064     1.253   90.476   86.599
LGA    Q    57_B      Q    57_A     0.661     0    0.018   0.084     0.804   90.476   90.476
LGA    L    58_B      L    58_A     0.509     0    0.040   1.143     2.598   90.476   85.476
LGA    K    59_B      K    59_A     0.845     0    0.041   0.753     4.463   90.476   75.344
LGA    D    60_B      D    60_A     0.923     0    0.058   0.851     2.550   90.476   82.917
LGA    K    61_B      K    61_A     0.873     0    0.037   0.603     1.781   90.476   86.561
LGA    A    62_B      A    62_A     0.649     0    0.016   0.026     0.831   90.476   90.476
LGA    R    63_B      R    63_A     0.976     0    0.024   1.071     3.620   85.952   78.052
LGA    N    64_B      N    64_A     1.224     0    0.031   0.307     2.018   81.429   79.345
LGA    W    65_B      W    65_A     1.131     0    0.049   0.129     1.237   81.429   88.605
LGA    K    66_B      K    66_A     0.858     0    0.021   0.241     1.353   90.476   90.529
LGA    L    67_B      L    67_A     1.015     0    0.027   0.048     1.223   83.690   84.821
LGA    Q    68_B      Q    68_A     1.402     0    0.017   0.978     4.614   81.429   65.556
LGA    Y    69_B      Y    69_A     1.334     0    0.058   0.131     1.403   81.429   81.429
LGA    L    70_B      L    70_A     0.990     0    0.012   0.174     1.158   85.952   87.083
LGA    K    71_B      K    71_A     1.249     0    0.022   0.892     4.514   77.143   69.524
LGA    S    72_B      S    72_A     1.922     0    0.009   0.721     2.121   70.833   71.508
LGA    G    73_B      G    73_A     1.735     0    0.032   0.032     1.873   72.857   72.857
LGA    K    74_B      K    74_A     1.640     0    0.055   0.949     6.107   77.143   60.635
LGA    P    75_B      P    75_A     1.122     0    0.014   0.325     1.913   85.952   82.789
LGA    L    76_B      L    76_A     0.863     0    0.041   0.271     1.633   88.214   84.881
LGA    P    77_B      P    77_A     0.225     0    0.012   0.352     0.955   97.619   97.279
LGA    D    78_B      D    78_A     0.532     0    0.039   0.708     1.674   95.238   88.452
LGA    Y    79_B      Y    79_A     0.264     0    0.189   0.189     0.554   97.619   99.206
LGA    L    80_B      L    80_A     0.588     0    0.132   0.174     0.749   90.476   90.476
LGA    I    81_B      I    81_A     0.805     0    0.063   0.647     1.555   90.476   83.810
LGA    K    82_B      K    82_A     1.304     0    0.166   0.758     3.762   83.690   69.206
LGA    V    83_B      V    83_A     0.913     0    0.161   0.158     1.036   88.214   87.891
LGA    T    84_B      T    84_A     2.079     0    0.303   1.328     4.223   54.524   59.184
LGA    G    85_B      G    85_A     7.127     0    0.564   0.564     7.127   15.714   15.714
LGA    N    86_B      N    86_A     6.403     0    0.661   1.192     7.047   16.190   16.429
LGA    L    87_B      L    87_A     6.850     0    0.051   0.211    10.406   15.238    8.571
LGA    E    88_B      E    88_A     6.634     0    0.037   1.199    14.071   18.333    8.677

# 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):     2.173          2.144                  2.772           82.491   78.579

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     78    1.34    91.265    94.178     5.409

LGA_LOCAL      RMSD:   1.342  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.272  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.173  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.079411 * X  +  -0.584206 * Y  +   0.807711 * Z  +  13.367603
  Y_new =  -0.906024 * X  +  -0.380204 * Y  +  -0.185920 * Z  +   6.408673
  Z_new =   0.415710 * X  +  -0.717041 * Y  +  -0.559497 * Z  +  18.270294 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.483372 -0.428724 -2.233400   [DEG:  -84.9910  -24.5641 -127.9644 ]
ZXZ:  1.344556  2.164575  2.616190   [DEG:   77.0374  124.0210  149.8966 ]
 
# END of job
