
#######################################################
#                                                     #
#                        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   99 (  788),  selected   90 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   90 , 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:    90       1_A - 90_A        1.83     1.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.83     1.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48       2_A - 49_A        1.00     2.07
  LONGEST_CONTINUOUS_SEGMENT:    48       3_A - 50_A        1.00     2.05
  LCS_AVERAGE:     44.38

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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_A     M     1_A     13   90   90      6   12   17   66   76   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     48   90   90     22   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     48   90   90     15   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     48   90   90     13   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     48   90   90      4   16   28   76   79   81   83   85   86   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     48   90   90      6   14   27   53   78   81   83   85   86   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     48   90   90      8   23   66   76   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     48   90   90     12   66   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     48   90   90     37   68   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     48   90   90      3    9   72   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     48   90   90     12   68   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     48   90   90     43   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     48   90   90     46   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     48   90   90     47   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     48   90   90     47   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     48   90   90     25   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     48   90   90     33   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     48   90   90     39   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     48   90   90      9   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     48   90   90      9   67   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     48   90   90     44   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     48   90   90     40   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     48   90   90     35   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     48   90   90     35   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     48   90   90     35   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     48   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     48   90   90     13   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     48   90   90     16   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     45   90   90      5   20   64   75   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     45   90   90      5   12   34   72   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     19   90   90      4    9   21   42   74   80   82   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     11   90   90      5    9   14   32   51   76   81   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     11   90   90      4   10   17   26   42   76   79   84   87   87   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      7   90   90      4    6    7   18   25   40   62   80   83   87   88   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      2    3   21   37   73   78   82   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4    4   60   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    5   42   76   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     35   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     27   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     43   68   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     48   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     10   69   74   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90      3   27   59   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      3   10   67   77   79   81   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  81.46  (  44.38  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     48     69     74     77     79     81     83     85     87     88     89     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  53.33  76.67  82.22  85.56  87.78  90.00  92.22  94.44  96.67  97.78  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.53   0.60   0.71   0.80   0.92   1.07   1.23   1.56   1.55   1.68   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83
GDT RMS_ALL_AT   1.90   1.93   1.93   1.91   1.91   1.95   1.95   1.92   1.84   1.85   1.84   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  Y    49_A      Y    49_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    76_A      Y    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     4.049     0    0.290   1.396     5.897   43.214   41.250
LGA    L     2_A      L     2_A     1.202     0    0.289   1.193     2.782   77.262   75.595
LGA    F     3_A      F     3_A     1.064     0    0.041   1.304     4.983   83.690   65.108
LGA    E     4_A      E     4_A     1.049     0    0.243   0.604     2.584   79.405   75.079
LGA    G     5_A      G     5_A     3.177     0    0.022   0.022     3.489   53.690   53.690
LGA    D     6_A      D     6_A     3.965     0    0.051   0.214     5.633   43.333   34.821
LGA    K     7_A      K     7_A     2.418     0    0.068   1.148     5.114   69.048   60.688
LGA    F     8_A      F     8_A     1.349     0    0.068   0.163     1.914   77.143   81.558
LGA    V     9_A      V     9_A     1.333     0    0.603   1.067     3.729   73.690   70.340
LGA    G    10_A      G    10_A     1.729     0    0.016   0.016     1.969   77.143   77.143
LGA    S    11_A      S    11_A     1.136     0    0.013   0.047     1.347   85.952   84.444
LGA    F    12_A      F    12_A     0.501     0    0.020   0.102     0.743   95.238   93.074
LGA    E    13_A      E    13_A     0.902     0    0.013   0.860     2.954   88.214   81.799
LGA    N    14_A      N    14_A     0.629     0    0.024   0.158     0.735   90.476   92.857
LGA    A    15_A      A    15_A     0.276     0    0.125   0.137     0.439  100.000  100.000
LGA    A    16_A      A    16_A     0.103     0    0.053   0.060     0.352  100.000  100.000
LGA    A    17_A      A    17_A     0.495     0    0.017   0.023     0.652   97.619   96.190
LGA    G    18_A      G    18_A     0.474     0    0.030   0.030     0.482  100.000  100.000
LGA    T    19_A      T    19_A     0.687     0    0.034   0.106     1.237   90.476   89.184
LGA    F    20_A      F    20_A     0.665     0    0.035   0.103     0.734   92.857   94.805
LGA    V    21_A      V    21_A     0.500     0    0.033   0.063     0.780   95.238   93.197
LGA    L    22_A      L    22_A     0.494     0    0.130   0.163     0.690   97.619   95.238
LGA    D    23_A      D    23_A     0.436     0    0.023   0.084     0.551   97.619   97.619
LGA    M    24_A      M    24_A     0.254     0    0.008   1.074     5.617  100.000   79.702
LGA    Y    25_A      Y    25_A     0.317     0    0.033   0.051     0.403  100.000  100.000
LGA    A    26_A      A    26_A     0.326     0    0.026   0.028     0.424  100.000  100.000
LGA    Y    27_A      Y    27_A     0.297     0    0.043   0.359     0.978  100.000   95.238
LGA    E    28_A      E    28_A     0.632     0    0.035   0.640     4.181   95.238   70.688
LGA    R    29_A      R    29_A     0.712     0    0.019   1.637     6.618   90.476   58.701
LGA    L    30_A      L    30_A     0.553     0    0.040   0.074     1.094   92.857   89.405
LGA    A    31_A      A    31_A     0.097     0    0.039   0.042     0.265  100.000  100.000
LGA    N    32_A      N    32_A     0.742     0    0.195   0.495     1.646   88.214   86.012
LGA    S    33_A      S    33_A     0.991     0    0.224   0.749     3.158   83.810   79.286
LGA    I    34_A      I    34_A     0.691     0    0.116   0.251     0.875   90.476   90.476
LGA    S    35_A      S    35_A     0.531     0    0.082   0.558     1.865   90.476   87.540
LGA    T    36_A      T    36_A     0.772     0    0.026   0.108     0.923   90.476   90.476
LGA    E    37_A      E    37_A     0.771     0    0.063   0.724     2.784   90.476   84.762
LGA    K    38_A      K    38_A     0.866     0    0.029   0.953     4.962   90.476   73.915
LGA    L    39_A      L    39_A     0.698     0    0.011   1.345     2.722   90.476   79.940
LGA    R    40_A      R    40_A     0.369     0    0.006   0.439     1.697  100.000   90.736
LGA    Q    41_A      Q    41_A     0.388     0    0.027   1.165     4.100  100.000   85.926
LGA    Y    42_A      Y    42_A     0.422     0    0.032   0.096     0.868  100.000   93.651
LGA    A    43_A      A    43_A     0.395     0    0.019   0.019     0.443  100.000  100.000
LGA    S    44_A      S    44_A     0.097     0    0.018   0.070     0.218  100.000  100.000
LGA    T    45_A      T    45_A     0.144     0    0.052   0.092     0.290  100.000  100.000
LGA    Y    46_A      Y    46_A     0.066     0    0.016   0.088     0.797  100.000   97.619
LGA    N    47_A      N    47_A     0.146     0    0.082   0.098     0.591   97.619   97.619
LGA    K    48_A      K    48_A     0.218     0    0.145   1.144     6.182   97.619   73.439
LGA    Y    49_A      Y    49_A     0.854     0    0.178   0.221     1.969   83.810   85.238
LGA    K    50_A      K    50_A     1.054     0    0.014   0.072     2.519   75.476   76.984
LGA    Y    51_A      Y    51_A     3.170     0    0.068   0.075     4.125   48.810   44.683
LGA    Y    52_A      Y    52_A     3.825     0    0.096   0.181     7.197   43.452   30.556
LGA    S    53_A      S    53_A     5.016     0    0.116   0.667     7.278   24.048   22.063
LGA    G    54_A      G    54_A     5.914     0    0.172   0.172     6.047   21.548   21.548
LGA    S    55_A      S    55_A     6.950     0    0.057   0.584    10.036   11.667    8.968
LGA    A    56_A      A    56_A     8.029     0    0.672   0.609     8.827    9.643    8.286
LGA    S    57_A      S    57_A     5.668     0    0.638   0.714     8.674   30.476   22.460
LGA    E    58_A      E    58_A     2.787     0    0.623   1.379    10.943   60.952   30.847
LGA    A    59_A      A    59_A     2.224     0    0.076   0.077     2.417   70.952   69.714
LGA    D    60_A      D    60_A     0.479     0    0.256   0.890     2.875   92.857   81.131
LGA    Y    61_A      Y    61_A     1.075     0    0.042   0.050     1.172   85.952   84.444
LGA    R    62_A      R    62_A     1.085     0    0.033   1.154     9.088   85.952   52.381
LGA    L    63_A      L    63_A     0.399     0    0.015   1.008     3.172   97.619   87.976
LGA    A    64_A      A    64_A     0.192     0    0.017   0.021     0.381  100.000  100.000
LGA    C    65_A      C    65_A     0.346     0    0.020   0.055     0.573  100.000   98.413
LGA    F    66_A      F    66_A     0.384     0    0.035   0.068     0.844  100.000   94.805
LGA    A    67_A      A    67_A     0.151     0    0.020   0.022     0.235  100.000  100.000
LGA    H    68_A      H    68_A     0.159     0    0.023   0.363     1.118  100.000   96.238
LGA    L    69_A      L    69_A     0.291     0    0.016   0.059     0.432  100.000  100.000
LGA    A    70_A      A    70_A     0.328     0    0.025   0.024     0.446  100.000  100.000
LGA    K    71_A      K    71_A     0.228     0    0.025   0.387     1.814  100.000   94.868
LGA    A    72_A      A    72_A     0.210     0    0.030   0.031     0.350  100.000  100.000
LGA    M    73_A      M    73_A     0.438     0    0.035   0.079     0.783  100.000   95.238
LGA    M    74_A      M    74_A     0.435     0    0.059   0.222     1.207  100.000   95.298
LGA    D    75_A      D    75_A     0.251     0    0.046   0.078     0.665   97.619   96.429
LGA    Y    76_A      Y    76_A     0.631     0    0.047   0.194     1.055   92.857   89.762
LGA    A    77_A      A    77_A     0.910     0    0.045   0.047     1.039   88.214   88.667
LGA    S    78_A      S    78_A     0.743     0    0.020   0.665     2.456   90.476   86.190
LGA    N    79_A      N    79_A     0.560     0    0.038   1.170     4.297   90.476   78.393
LGA    H    80_A      H    80_A     0.567     0    0.023   1.153     2.207   90.476   84.476
LGA    N    81_A      N    81_A     0.387     0    0.035   1.113     2.849  100.000   90.060
LGA    D    82_A      D    82_A     0.294     0    0.064   0.137     0.740  100.000   96.429
LGA    T    83_A      T    83_A     0.489     0    0.040   0.081     1.013  100.000   94.626
LGA    L    84_A      L    84_A     0.359     0    0.036   0.070     0.597   97.619   98.810
LGA    Y    85_A      Y    85_A     0.365     0    0.027   0.113     0.560   97.619   96.032
LGA    T    86_A      T    86_A     0.382     0    0.028   1.000     2.490  100.000   91.088
LGA    P    87_A      P    87_A     0.452     0    0.043   0.132     0.499  100.000  100.000
LGA    P    88_A      P    88_A     0.736     0    0.174   0.298     1.006   92.857   90.544
LGA    T    89_A      T    89_A     1.864     0    0.024   1.188     5.100   77.143   65.238
LGA    V    90_A      V    90_A     2.614     0    0.057   1.269     5.210   55.595   49.864

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     715    715  100.00                90
SUMMARY(RMSD_GDC):     1.834          1.800                  2.285           85.686   80.640

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   99   90    4.0     85    1.23    89.167    93.363     6.413

LGA_LOCAL      RMSD:   1.225  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.923  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.834  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.637057 * X  +   0.714668 * Y  +  -0.288805 * Z  + -19.962729
  Y_new =  -0.681966 * X  +   0.697204 * Y  +   0.220974 * Z  +  11.823283
  Z_new =   0.359278 * X  +   0.056182 * Y  +   0.931538 * Z  +  -8.050433 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.819432 -0.367495  0.060238   [DEG:  -46.9500  -21.0559    3.4514 ]
ZXZ: -2.223912  0.372177  1.415678   [DEG: -127.4208   21.3242   81.1124 ]
 
# END of job
