
#######################################################
#                                                     #
#                        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  107 (  868),  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        1.32     1.32
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.32     1.32
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       1_A - 54_A        0.77     1.35
  LCS_AVERAGE:     49.86

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     54   90   90     10   55   81   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     54   90   90     50   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     54   90   90     58   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     54   90   90     50   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     54   90   90     41   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     54   90   90     41   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     54   90   90     49   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     54   90   90     59   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     54   90   90     57   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     54   90   90     50   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     54   90   90     58   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     54   90   90     54   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     54   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     54   90   90     21   75   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     54   90   90     42   77   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     54   90   90      4   22   77   84   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     54   90   90      8   40   77   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     24   90   90      4    5   12   27   42   69   81   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      5   90   90      4    5    9   17   30   40   57   80   87   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      5   90   90      4    5   27   55   79   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4    8   81   84   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    4   47   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     51   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     54   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     61   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     49   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     63   78   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90     17   73   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90     14   70   82   85   86   87   87   88   89   90   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  83.29  (  49.86  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     63     78     82     85     86     87     87     88     89     90     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  70.00  86.67  91.11  94.44  95.56  96.67  96.67  97.78  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.42   0.53   0.69   0.74   0.81   0.81   0.96   1.14   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32
GDT RMS_ALL_AT   1.39   1.43   1.38   1.36   1.35   1.36   1.36   1.33   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32   1.32

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  Y    85_A      Y    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     2.062     0    0.206   1.038     3.666   71.190   66.548
LGA    L     2_A      L     2_A     0.848     0    0.043   1.179     3.068   88.214   79.940
LGA    F     3_A      F     3_A     0.795     0    0.078   0.102     1.306   88.214   84.719
LGA    E     4_A      E     4_A     0.578     0    0.134   0.470     1.478   90.476   90.529
LGA    G     5_A      G     5_A     1.156     0    0.020   0.020     1.196   81.429   81.429
LGA    D     6_A      D     6_A     1.371     0    0.056   0.456     1.947   81.429   78.214
LGA    K     7_A      K     7_A     1.312     0    0.036   1.048     5.131   83.690   73.598
LGA    F     8_A      F     8_A     0.927     0    0.020   0.124     1.044   85.952   89.740
LGA    V     9_A      V     9_A     0.585     0    0.049   0.106     0.725   90.476   91.837
LGA    G    10_A      G    10_A     0.180     0    0.036   0.036     0.519   97.619   97.619
LGA    S    11_A      S    11_A     0.301     0    0.028   0.051     0.462  100.000  100.000
LGA    F    12_A      F    12_A     0.348     0    0.024   0.076     0.494  100.000  100.000
LGA    E    13_A      E    13_A     0.795     0    0.021   0.532     2.911   90.476   80.847
LGA    N    14_A      N    14_A     0.779     0    0.014   0.165     0.887   90.476   90.476
LGA    A    15_A      A    15_A     0.356     0    0.080   0.095     0.491  100.000  100.000
LGA    A    16_A      A    16_A     0.338     0    0.032   0.041     0.634  100.000   98.095
LGA    A    17_A      A    17_A     0.590     0    0.030   0.032     0.667   90.476   90.476
LGA    G    18_A      G    18_A     0.543     0    0.101   0.101     0.675   92.857   92.857
LGA    T    19_A      T    19_A     0.650     0    0.021   0.113     1.057   90.476   89.184
LGA    F    20_A      F    20_A     0.520     0    0.023   0.138     0.589   95.238   95.671
LGA    V    21_A      V    21_A     0.100     0    0.015   0.038     0.343  100.000  100.000
LGA    L    22_A      L    22_A     0.311     0    0.010   0.059     0.498  100.000  100.000
LGA    D    23_A      D    23_A     0.330     0    0.045   0.072     0.540  100.000   98.810
LGA    M    24_A      M    24_A     0.324     0    0.111   0.666     2.401  100.000   88.690
LGA    Y    25_A      Y    25_A     0.376     0    0.008   0.065     1.057  100.000   93.690
LGA    A    26_A      A    26_A     0.291     0    0.040   0.056     0.349  100.000  100.000
LGA    Y    27_A      Y    27_A     0.132     0    0.035   0.290     1.262  100.000   93.730
LGA    E    28_A      E    28_A     0.257     0    0.012   0.663     2.713  100.000   81.799
LGA    R    29_A      R    29_A     0.322     0    0.012   1.448     4.027  100.000   80.996
LGA    L    30_A      L    30_A     0.259     0    0.044   0.070     0.506  100.000   98.810
LGA    A    31_A      A    31_A     0.308     0    0.036   0.049     0.322  100.000  100.000
LGA    N    32_A      N    32_A     0.201     0    0.094   0.133     1.011   97.619   94.107
LGA    S    33_A      S    33_A     0.201     0    0.075   0.089     0.289  100.000  100.000
LGA    I    34_A      I    34_A     0.299     0    0.057   0.167     0.860  100.000   98.810
LGA    S    35_A      S    35_A     0.256     0    0.053   0.052     0.287  100.000  100.000
LGA    T    36_A      T    36_A     0.388     0    0.031   0.980     2.315   95.238   88.367
LGA    E    37_A      E    37_A     0.669     0    0.018   0.858     2.098   90.476   84.656
LGA    K    38_A      K    38_A     0.428     0    0.020   0.743     3.835   97.619   84.815
LGA    L    39_A      L    39_A     0.334     0    0.035   0.127     0.502  100.000   98.810
LGA    R    40_A      R    40_A     0.486     0    0.018   1.239     4.098  100.000   83.506
LGA    Q    41_A      Q    41_A     0.469     0    0.025   1.164     4.506  100.000   83.492
LGA    Y    42_A      Y    42_A     0.364     0    0.040   0.114     0.892  100.000   96.032
LGA    A    43_A      A    43_A     0.561     0    0.020   0.026     0.619   90.476   90.476
LGA    S    44_A      S    44_A     0.507     0    0.076   0.096     0.714   92.857   92.063
LGA    T    45_A      T    45_A     0.233     0    0.072   0.102     0.305  100.000  100.000
LGA    Y    46_A      Y    46_A     0.364     0    0.012   0.052     0.433  100.000  100.000
LGA    N    47_A      N    47_A     0.399     0    0.042   0.226     0.972  100.000   96.429
LGA    K    48_A      K    48_A     0.346     0    0.013   0.704     2.355  100.000   96.085
LGA    Y    49_A      Y    49_A     0.390     0    0.052   0.146     0.509  100.000   99.206
LGA    K    50_A      K    50_A     0.470     0    0.046   0.618     3.807   95.238   79.259
LGA    Y    51_A      Y    51_A     1.044     0    0.028   0.271     2.487   83.690   74.484
LGA    Y    52_A      Y    52_A     0.817     0    0.187   0.212     1.300   85.952   91.349
LGA    S    53_A      S    53_A     2.391     0    0.239   0.681     5.388   59.524   53.571
LGA    G    54_A      G    54_A     2.525     0    0.090   0.090     3.396   57.500   57.500
LGA    S    55_A      S    55_A     6.011     0    0.075   0.123     8.975   29.524   21.349
LGA    A    56_A      A    56_A     6.610     0    0.139   0.135     8.568   19.762   16.381
LGA    S    57_A      S    57_A     4.746     0    0.609   0.906     7.974   41.190   30.873
LGA    E    58_A      E    58_A     3.192     0    0.647   1.394    11.628   59.167   29.206
LGA    A    59_A      A    59_A     2.151     0    0.090   0.102     2.491   70.952   69.714
LGA    D    60_A      D    60_A     0.610     0    0.287   0.963     2.818   92.857   80.000
LGA    Y    61_A      Y    61_A     1.013     0    0.038   0.089     1.115   85.952   88.968
LGA    R    62_A      R    62_A     1.003     0    0.029   1.168     6.810   85.952   59.091
LGA    L    63_A      L    63_A     0.557     0    0.024   1.016     2.885   95.238   87.679
LGA    A    64_A      A    64_A     0.409     0    0.027   0.037     0.448  100.000  100.000
LGA    C    65_A      C    65_A     0.431     0    0.034   0.083     0.535  100.000   98.413
LGA    F    66_A      F    66_A     0.384     0    0.024   0.084     0.769  100.000   94.805
LGA    A    67_A      A    67_A     0.230     0    0.018   0.028     0.296  100.000  100.000
LGA    H    68_A      H    68_A     0.171     0    0.032   0.062     0.324  100.000  100.000
LGA    L    69_A      L    69_A     0.245     0    0.026   0.055     0.368  100.000  100.000
LGA    A    70_A      A    70_A     0.285     0    0.010   0.011     0.350  100.000  100.000
LGA    K    71_A      K    71_A     0.194     0    0.033   0.570     2.653  100.000   93.122
LGA    A    72_A      A    72_A     0.158     0    0.056   0.067     0.269  100.000  100.000
LGA    M    73_A      M    73_A     0.433     0    0.027   0.076     0.569   97.619   96.429
LGA    M    74_A      M    74_A     0.420     0    0.075   0.825     2.392  100.000   92.024
LGA    D    75_A      D    75_A     0.250     0    0.012   0.210     0.785  100.000   98.810
LGA    Y    76_A      Y    76_A     0.374     0    0.041   0.122     0.912   97.619   93.651
LGA    A    77_A      A    77_A     0.517     0    0.030   0.028     0.685   90.476   90.476
LGA    S    78_A      S    78_A     0.642     0    0.015   0.578     2.109   90.476   86.190
LGA    N    79_A      N    79_A     0.609     0    0.016   0.178     0.719   90.476   92.857
LGA    H    80_A      H    80_A     0.523     0    0.040   0.629     1.601   92.857   86.095
LGA    N    81_A      N    81_A     0.545     0    0.016   1.357     3.880   90.476   77.321
LGA    D    82_A      D    82_A     0.320     0    0.031   0.093     0.767   97.619   98.810
LGA    T    83_A      T    83_A     0.541     0    0.042   0.058     0.893   97.619   94.558
LGA    L    84_A      L    84_A     0.162     0    0.126   0.116     1.028   97.619   94.107
LGA    Y    85_A      Y    85_A     0.122     0    0.019   0.068     0.370  100.000  100.000
LGA    T    86_A      T    86_A     0.145     0    0.059   1.012     2.246  100.000   89.932
LGA    P    87_A      P    87_A     0.081     0    0.039   0.292     0.585  100.000   97.279
LGA    P    88_A      P    88_A     0.620     0    0.069   0.232     1.047   97.619   94.626
LGA    T    89_A      T    89_A     1.194     0    0.023   0.204     2.636   85.952   79.320
LGA    V    90_A      V    90_A     1.446     0    0.229   0.299     2.417   75.119   72.993

# 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):     1.317          1.216                  1.696           91.522   87.293

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     88    0.96    94.722    97.037     8.335

LGA_LOCAL      RMSD:   0.956  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.334  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.317  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.833006 * X  +  -0.542156 * Y  +   0.110306 * Z  + -11.647722
  Y_new =  -0.087330 * X  +  -0.068027 * Y  +  -0.993854 * Z  +  20.649712
  Z_new =   0.546328 * X  +  -0.837519 * Y  +   0.009320 * Z  +  -4.898502 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.037137 -0.577974 -1.559669   [DEG: -174.0151  -33.1155  -89.3624 ]
ZXZ:  0.110536  1.561476  2.563591   [DEG:    6.3332   89.4660  146.8829 ]
 
# END of job
