
#######################################################
#                                                     #
#                        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  101 (  800),  selected   96 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   96 , 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:    96       2_A - 99_A        2.45     2.45
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    94       3_A - 98_A        1.94     2.46
  LONGEST_CONTINUOUS_SEGMENT:    94       4_A - 99_A        1.87     2.49
  LCS_AVERAGE:     96.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50       6_A - 55_A        0.97     2.51
  LCS_AVERAGE:     40.26

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   96
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     A     2_A     A     2_A      3    4   96      0    3    3    3    4    4    9    9   10   12   14   14   57   69   75   86   92   95   96   96 
LCS_GDT     K     3_A     K     3_A      4   94   96      3    4    5    6    6    8   12   19   62   77   80   90   92   94   95   95   95   95   96   96 
LCS_GDT     E     4_A     E     4_A      4   94   96      3    4    5   50   71   78   86   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R     5_A     R     5_A      4   94   96      3   13   23   53   70   78   86   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A     6_A     A     6_A     50   94   96      3   18   34   77   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L     7_A     L     7_A     50   94   96     17   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     T     8_A     T     8_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L     9_A     L     9_A     50   94   96     15   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     E    10_A     E    10_A     50   94   96     16   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    11_A     A    11_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    12_A     L    12_A     50   94   96     12   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R    13_A     R    13_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     V    14_A     V    14_A     50   94   96     13   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     M    15_A     M    15_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     D    16_A     D    16_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    17_A     A    17_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     I    18_A     I    18_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     D    19_A     D    19_A     50   94   96     20   55   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R    20_A     R    20_A     50   94   96     22   54   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R    21_A     R    21_A     50   94   96     19   47   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     G    22_A     G    22_A     50   94   96     19   47   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     S    23_A     S    23_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     F    24_A     F    24_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    25_A     A    25_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    26_A     A    26_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    27_A     A    27_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    28_A     A    28_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     D    29_A     D    29_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     E    30_A     E    30_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    31_A     L    31_A     50   94   96     18   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     G    32_A     G    32_A     50   94   96     20   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R    33_A     R    33_A     50   94   96     20   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     V    34_A     V    34_A     50   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     P    35_A     P    35_A     50   94   96     16   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     S    36_A     S    36_A     50   94   96      6   55   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    37_A     A    37_A     50   94   96     15   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    38_A     L    38_A     50   94   96     15   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     S    39_A     S    39_A     50   94   96     17   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     Y    40_A     Y    40_A     50   94   96     11   58   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     T    41_A     T    41_A     50   94   96     13   50   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     M    42_A     M    42_A     50   94   96     13   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     Q    43_A     Q    43_A     50   94   96     16   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     K    44_A     K    44_A     50   94   96     16   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    45_A     L    45_A     50   94   96     17   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     E    46_A     E    46_A     50   94   96     17   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     E    47_A     E    47_A     50   94   96     18   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     E    48_A     E    48_A     50   94   96     17   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    49_A     L    49_A     50   94   96     11   54   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     D    50_A     D    50_A     50   94   96     16   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     V    51_A     V    51_A     50   94   96     17   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     V    52_A     V    52_A     50   94   96     17   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    53_A     L    53_A     50   94   96     11   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     F    54_A     F    54_A     50   94   96     11   51   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     D    55_A     D    55_A     50   94   96      4   20   66   81   84   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R    56_A     R    56_A     22   94   96      3    6   21   25   49   74   86   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     S    57_A     S    57_A     22   94   96      3    9   21   37   56   77   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R    60_A     R    60_A     33   94   96     12   54   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     T    61_A     T    61_A     33   94   96     18   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     K    62_A     K    62_A     33   94   96     18   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     F    63_A     F    63_A     33   94   96     18   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     T    64_A     T    64_A     33   94   96     18   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     N    65_A     N    65_A     33   94   96     16   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     V    66_A     V    66_A     33   94   96     18   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     G    67_A     G    67_A     33   94   96     15   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R    68_A     R    68_A     33   94   96     11   46   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     M    69_A     M    69_A     33   94   96     11   35   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    70_A     L    70_A     33   94   96     11   35   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    71_A     L    71_A     33   94   96     11   35   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     E    72_A     E    72_A     33   94   96      4   19   72   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R    73_A     R    73_A     33   94   96      5   40   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     G    74_A     G    74_A     33   94   96     17   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R    75_A     R    75_A     33   94   96     20   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     V    76_A     V    76_A     33   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    77_A     L    77_A     33   94   96     19   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    78_A     L    78_A     33   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     E    79_A     E    79_A     33   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    80_A     A    80_A     33   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    81_A     A    81_A     33   94   96     19   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     D    82_A     D    82_A     33   94   96     22   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     K    83_A     K    83_A     33   94   96     19   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    84_A     L    84_A     33   94   96     19   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     T    85_A     T    85_A     33   94   96     19   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     T    86_A     T    86_A     33   94   96     19   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     D    87_A     D    87_A     33   94   96     12   49   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    88_A     A    88_A     33   94   96     19   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     E    89_A     E    89_A     33   94   96     17   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    90_A     A    90_A     33   94   96      7   39   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    91_A     L    91_A     33   94   96      7   39   58   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     A    92_A     A    92_A     33   94   96     18   60   75   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     R    93_A     R    93_A     20   94   96      7   13   33   80   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     L    94_A     L    94_A     11   94   96      7   20   35   62   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     E    95_A     E    95_A     11   94   96      7   14   73   81   85   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     H    96_A     H    96_A     11   94   96      7    8   11   24   72   81   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     H    97_A     H    97_A      3   94   96      3    4   42   78   84   86   87   90   92   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     H    98_A     H    98_A      3   94   96      3    4    4    5    5    6   84   88   91   93   93   93   94   94   95   95   95   95   96   96 
LCS_GDT     H    99_A     H    99_A      3   94   96      3    3    3    3    4    5    7   11   15   21   33   91   94   94   95   95   95   95   96   96 
LCS_AVERAGE  LCS_A:  79.07  (  40.26   96.94  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     22     60     75     81     85     86     87     90     92     93     93     93     94     94     95     95     95     95     96     96 
GDT PERCENT_AT  22.92  62.50  78.12  84.38  88.54  89.58  90.62  93.75  95.83  96.88  96.88  96.88  97.92  97.92  98.96  98.96  98.96  98.96 100.00 100.00
GDT RMS_LOCAL    0.37   0.68   0.84   0.95   1.13   1.12   1.18   1.42   1.58   1.68   1.68   1.68   1.87   1.87   2.11   2.11   2.11   2.11   2.45   2.45
GDT RMS_ALL_AT   2.76   2.52   2.52   2.52   2.53   2.53   2.53   2.50   2.48   2.48   2.48   2.48   2.49   2.49   2.46   2.46   2.46   2.46   2.45   2.45

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    30_A      E    30_A
#   possible swapping detected:  E    79_A      E    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    12.725     0    0.691   0.688    13.092    0.000    0.000
LGA    K     3_A      K     3_A     9.700     0    0.343   1.311    12.407    6.905    3.175
LGA    E     4_A      E     4_A     4.526     0    0.574   1.086     7.680   27.976   19.524
LGA    R     5_A      R     5_A     3.982     0    0.530   1.420    14.917   42.381   17.532
LGA    A     6_A      A     6_A     3.135     0    0.616   0.611     5.105   65.238   57.429
LGA    L     7_A      L     7_A     0.469     0    0.149   0.206     3.822   92.976   75.298
LGA    T     8_A      T     8_A     0.562     0    0.040   0.056     0.885   92.857   91.837
LGA    L     9_A      L     9_A     0.833     0    0.039   0.100     1.006   90.476   89.345
LGA    E    10_A      E    10_A     0.655     0    0.041   1.198     4.346   90.476   72.169
LGA    A    11_A      A    11_A     0.794     0    0.043   0.043     0.971   90.476   90.476
LGA    L    12_A      L    12_A     0.997     0    0.052   0.071     1.534   90.476   83.810
LGA    R    13_A      R    13_A     0.782     0    0.051   0.343     0.937   90.476   90.476
LGA    V    14_A      V    14_A     0.879     0    0.029   1.264     3.334   90.476   81.020
LGA    M    15_A      M    15_A     0.667     0    0.035   0.918     2.157   90.476   86.131
LGA    D    16_A      D    16_A     0.784     0    0.039   0.888     4.072   90.476   73.750
LGA    A    17_A      A    17_A     0.798     0    0.034   0.039     0.925   90.476   90.476
LGA    I    18_A      I    18_A     0.813     0    0.027   0.126     1.015   88.214   89.345
LGA    D    19_A      D    19_A     1.121     0    0.038   0.613     2.638   83.690   81.845
LGA    R    20_A      R    20_A     1.149     0    0.040   1.402     6.687   79.286   62.511
LGA    R    21_A      R    21_A     1.302     0    0.164   1.237     3.458   79.286   73.203
LGA    G    22_A      G    22_A     1.572     0    0.093   0.093     1.572   81.548   81.548
LGA    S    23_A      S    23_A     0.328     0    0.041   0.573     1.627   97.619   93.889
LGA    F    24_A      F    24_A     0.349     0    0.048   0.151     1.216  100.000   94.026
LGA    A    25_A      A    25_A     0.564     0    0.028   0.046     0.691   95.238   94.286
LGA    A    26_A      A    26_A     0.492     0    0.045   0.047     0.726  100.000   98.095
LGA    A    27_A      A    27_A     0.430     0    0.026   0.038     0.525   97.619   98.095
LGA    A    28_A      A    28_A     0.535     0    0.027   0.040     0.817   92.857   94.286
LGA    D    29_A      D    29_A     0.761     0    0.025   0.532     2.459   90.476   82.857
LGA    E    30_A      E    30_A     0.656     0    0.030   0.599     1.781   90.476   87.513
LGA    L    31_A      L    31_A     0.865     0    0.139   0.133     1.161   88.214   88.214
LGA    G    32_A      G    32_A     1.084     0    0.086   0.086     1.134   83.690   83.690
LGA    R    33_A      R    33_A     1.257     0    0.035   1.572     5.532   81.429   60.303
LGA    V    34_A      V    34_A     1.236     0    0.020   0.057     1.632   85.952   82.789
LGA    P    35_A      P    35_A     0.855     0    0.024   0.099     1.574   88.214   84.082
LGA    S    36_A      S    36_A     1.401     0    0.148   0.207     2.773   83.690   77.460
LGA    A    37_A      A    37_A     0.990     0    0.042   0.043     1.034   88.214   88.667
LGA    L    38_A      L    38_A     1.076     0    0.057   0.859     2.499   81.429   79.345
LGA    S    39_A      S    39_A     0.770     0    0.032   0.704     1.771   90.476   87.540
LGA    Y    40_A      Y    40_A     1.074     0    0.037   0.310     3.751   83.690   68.929
LGA    T    41_A      T    41_A     1.216     0    0.026   0.063     1.349   81.429   81.429
LGA    M    42_A      M    42_A     0.910     0    0.028   0.605     3.127   90.476   82.202
LGA    Q    43_A      Q    43_A     0.636     0    0.055   1.187     5.691   95.238   73.862
LGA    K    44_A      K    44_A     0.411     0    0.050   0.766     3.230  100.000   87.513
LGA    L    45_A      L    45_A     0.684     0    0.033   1.380     3.918   90.476   75.357
LGA    E    46_A      E    46_A     0.695     0    0.035   0.150     1.104   90.476   89.471
LGA    E    47_A      E    47_A     0.440     0    0.024   1.111     4.640   95.238   79.947
LGA    E    48_A      E    48_A     0.707     0    0.032   0.117     1.094   88.214   92.646
LGA    L    49_A      L    49_A     1.301     0    0.148   0.251     2.344   83.690   76.250
LGA    D    50_A      D    50_A     0.772     0    0.119   0.832     3.409   88.214   76.012
LGA    V    51_A      V    51_A     0.759     0    0.068   0.200     1.595   86.071   82.857
LGA    V    52_A      V    52_A     0.993     0    0.055   0.061     1.971   90.476   82.925
LGA    L    53_A      L    53_A     0.886     0    0.078   0.113     1.362   90.476   88.214
LGA    F    54_A      F    54_A     1.261     0    0.045   1.409     4.172   75.119   70.087
LGA    D    55_A      D    55_A     2.426     0    0.070   0.219     3.576   61.190   55.774
LGA    R    56_A      R    56_A     5.267     0    0.264   0.841     7.298   24.524   18.139
LGA    S    57_A      S    57_A     4.968     0    0.581   0.771     6.354   32.857   29.127
LGA    R    60_A      R    60_A     1.522     6    0.149   0.212     2.032   75.119   35.541
LGA    T    61_A      T    61_A     0.390     0    0.103   1.187     2.541   97.619   87.483
LGA    K    62_A      K    62_A     0.477     0    0.067   1.270     5.598   95.238   76.772
LGA    F    63_A      F    63_A     0.507     0    0.052   0.147     0.507   97.619   99.134
LGA    T    64_A      T    64_A     0.612     0    0.055   1.074     2.325   92.857   84.490
LGA    N    65_A      N    65_A     0.978     0    0.059   1.069     3.281   88.214   80.893
LGA    V    66_A      V    66_A     0.800     0    0.034   0.098     1.399   90.476   89.184
LGA    G    67_A      G    67_A     0.869     0    0.028   0.028     1.214   85.952   85.952
LGA    R    68_A      R    68_A     1.264     0    0.064   1.422     8.621   83.690   55.541
LGA    M    69_A      M    69_A     1.592     0    0.048   0.758     4.478   75.000   62.083
LGA    L    70_A      L    70_A     1.614     0    0.028   1.003     3.734   75.000   71.369
LGA    L    71_A      L    71_A     1.577     0    0.080   1.013     2.800   75.000   72.202
LGA    E    72_A      E    72_A     1.817     0    0.080   0.112     3.775   72.857   61.852
LGA    R    73_A      R    73_A     1.615     0    0.121   0.930     6.005   83.810   58.268
LGA    G    74_A      G    74_A     0.576     0    0.088   0.088     0.576   92.857   92.857
LGA    R    75_A      R    75_A     0.846     0    0.053   1.428     4.270   90.476   64.589
LGA    V    76_A      V    76_A     0.544     0    0.017   1.148     3.077   95.238   83.742
LGA    L    77_A      L    77_A     0.215     0    0.026   0.863     3.241  100.000   90.238
LGA    L    78_A      L    78_A     0.398     0    0.028   0.057     0.636   95.238   96.429
LGA    E    79_A      E    79_A     0.773     0    0.034   0.964     3.015   90.476   76.561
LGA    A    80_A      A    80_A     0.344     0    0.072   0.071     0.852   95.238   96.190
LGA    A    81_A      A    81_A     0.659     0    0.043   0.045     0.982   92.857   92.381
LGA    D    82_A      D    82_A     0.867     0    0.026   0.944     4.129   88.214   70.952
LGA    K    83_A      K    83_A     0.911     0    0.045   0.900     3.076   85.952   78.254
LGA    L    84_A      L    84_A     1.038     0    0.046   1.169     3.435   83.690   78.690
LGA    T    85_A      T    85_A     1.025     0    0.027   1.126     3.265   81.429   75.850
LGA    T    86_A      T    86_A     1.169     0    0.042   0.058     1.307   81.429   81.429
LGA    D    87_A      D    87_A     1.645     0    0.044   0.873     3.140   75.000   68.095
LGA    A    88_A      A    88_A     1.471     0    0.025   0.039     1.522   79.286   79.714
LGA    E    89_A      E    89_A     0.956     0    0.078   0.804     3.777   88.214   77.513
LGA    A    90_A      A    90_A     1.390     0    0.631   0.618     2.043   77.262   74.762
LGA    L    91_A      L    91_A     2.562     0    0.132   0.242     4.128   67.143   55.298
LGA    A    92_A      A    92_A     1.103     0    0.043   0.053     2.066   79.286   76.381
LGA    R    93_A      R    93_A     2.405     0    0.049   0.945     3.689   61.667   58.225
LGA    L    94_A      L    94_A     3.254     0    0.126   0.957     6.568   48.571   38.810
LGA    E    95_A      E    95_A     1.659     0    0.266   1.202     3.097   70.833   75.344
LGA    H    96_A      H    96_A     4.324     0    0.405   1.223    10.106   54.167   24.714
LGA    H    97_A      H    97_A     2.829     0    0.596   1.252     8.738   61.905   33.000
LGA    H    98_A      H    98_A     6.017     0    0.059   1.042    10.443   18.810    9.905
LGA    H    99_A      H    99_A     8.723     0    0.050   0.286    10.711    2.619    2.381

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       96     384    384  100.00     752    752  100.00                96
SUMMARY(RMSD_GDC):     2.450          2.389                  3.256           80.046   72.603

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     90    1.42    84.896    90.536     5.938

LGA_LOCAL      RMSD:   1.416  Number of atoms:   90  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.502  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.450  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.733571 * X  +  -0.283233 * Y  +   0.617780 * Z  +  -1.423914
  Y_new =   0.246359 * X  +  -0.958014 * Y  +  -0.146685 * Z  +  63.934258
  Z_new =   0.633388 * X  +   0.044592 * Y  +   0.772548 * Z  +  -4.843522 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.817592 -0.685924  0.057657   [DEG:  161.4361  -39.3005    3.3035 ]
ZXZ:  1.337675  0.687951  1.500510   [DEG:   76.6431   39.4167   85.9729 ]
 
# END of job
