
#######################################################
#                                                     #
#                        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   95 (  740),  selected   92 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   92 , 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:    92       2_A - 95_A        2.03     2.03
  LCS_AVERAGE:     95.83

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       2_A - 94_A        1.99     2.03
  LONGEST_CONTINUOUS_SEGMENT:    91       3_A - 95_A        1.50     2.04
  LCS_AVERAGE:     94.79

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       7_A - 94_A        0.96     2.07
  LCS_AVERAGE:     85.65

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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   91   92      3    3    4    5    7    8    9   10   11   11   14   14   24   34   83   91   91   91   92   92 
LCS_GDT     K     3_A     K     3_A      4   91   92      3    4    4    5    7   38   65   75   80   86   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     E     4_A     E     4_A      4   91   92      3    4    4   68   78   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R     5_A     R     5_A     40   91   92      3    4   14   66   72   79   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A     6_A     A     6_A     81   91   92      3   10   31   51   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L     7_A     L     7_A     86   91   92      3   39   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     T     8_A     T     8_A     86   91   92     28   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L     9_A     L     9_A     86   91   92     28   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     E    10_A     E    10_A     86   91   92     28   66   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    11_A     A    11_A     86   91   92     35   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    12_A     L    12_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R    13_A     R    13_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     V    14_A     V    14_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     M    15_A     M    15_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     D    16_A     D    16_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    17_A     A    17_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     I    18_A     I    18_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     D    19_A     D    19_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R    20_A     R    20_A     86   91   92     37   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R    21_A     R    21_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     G    22_A     G    22_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     S    23_A     S    23_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     F    24_A     F    24_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    25_A     A    25_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    26_A     A    26_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    27_A     A    27_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    28_A     A    28_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     D    29_A     D    29_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     E    30_A     E    30_A     86   91   92     15   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    31_A     L    31_A     86   91   92     15   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     G    32_A     G    32_A     86   91   92     15   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R    33_A     R    33_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     V    34_A     V    34_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     P    35_A     P    35_A     86   91   92     28   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     S    36_A     S    36_A     86   91   92     13   61   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    37_A     A    37_A     86   91   92     13   61   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    38_A     L    38_A     86   91   92     11   65   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     S    39_A     S    39_A     86   91   92     12   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     Y    40_A     Y    40_A     86   91   92     13   56   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     T    41_A     T    41_A     86   91   92      9   51   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     M    42_A     M    42_A     86   91   92      9   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     Q    43_A     Q    43_A     86   91   92     15   66   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     K    44_A     K    44_A     86   91   92     16   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    45_A     L    45_A     86   91   92      9   64   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     E    46_A     E    46_A     86   91   92     10   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     E    47_A     E    47_A     86   91   92     21   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     E    48_A     E    48_A     86   91   92      9   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    49_A     L    49_A     86   91   92      9   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     D    50_A     D    50_A     86   91   92     28   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     V    51_A     V    51_A     86   91   92     27   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     V    52_A     V    52_A     86   91   92     28   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    53_A     L    53_A     86   91   92     36   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     F    54_A     F    54_A     86   91   92     13   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     D    55_A     D    55_A     86   91   92      7   49   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R    56_A     R    56_A     86   91   92      3    3   12   38   49   85   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     S    57_A     S    57_A     86   91   92      7   10   27   38   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R    60_A     R    60_A     86   91   92      3   18   75   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     T    61_A     T    61_A     86   91   92      4   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     K    62_A     K    62_A     86   91   92     18   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     F    63_A     F    63_A     86   91   92     36   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     T    64_A     T    64_A     86   91   92     36   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     N    65_A     N    65_A     86   91   92     36   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     V    66_A     V    66_A     86   91   92     36   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     G    67_A     G    67_A     86   91   92     18   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R    68_A     R    68_A     86   91   92     18   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     M    69_A     M    69_A     86   91   92     36   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    70_A     L    70_A     86   91   92     18   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    71_A     L    71_A     86   91   92     21   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     E    72_A     E    72_A     86   91   92     11   60   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R    73_A     R    73_A     86   91   92      7   55   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     G    74_A     G    74_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R    75_A     R    75_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     V    76_A     V    76_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    77_A     L    77_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    78_A     L    78_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     E    79_A     E    79_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    80_A     A    80_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    81_A     A    81_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     D    82_A     D    82_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     K    83_A     K    83_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    84_A     L    84_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     T    85_A     T    85_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     T    86_A     T    86_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     D    87_A     D    87_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    88_A     A    88_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     E    89_A     E    89_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    90_A     A    90_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    91_A     L    91_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     A    92_A     A    92_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     R    93_A     R    93_A     86   91   92     39   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     L    94_A     L    94_A     86   91   92     36   67   83   84   85   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_GDT     E    95_A     E    95_A     37   91   92      0    3    3    3   81   87   88   89   90   90   90   90   91   91   91   91   91   91   92   92 
LCS_AVERAGE  LCS_A:  92.09  (  85.65   94.79   95.83 )

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     39     67     83     84     85     87     88     89     90     90     90     90     91     91     91     91     91     91     92     92 
GDT PERCENT_AT  40.62  69.79  86.46  87.50  88.54  90.62  91.67  92.71  93.75  93.75  93.75  93.75  94.79  94.79  94.79  94.79  94.79  94.79  95.83  95.83
GDT RMS_LOCAL    0.27   0.60   0.78   0.81   0.86   0.99   1.07   1.13   1.23   1.23   1.23   1.23   1.50   1.50   1.50   1.50   1.50   1.50   2.03   2.03
GDT RMS_ALL_AT   2.31   2.13   2.09   2.09   2.09   2.07   2.09   2.08   2.06   2.06   2.06   2.06   2.04   2.04   2.04   2.04   2.04   2.04   2.03   2.03

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    95_A      E    95_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    13.644     0    0.281   0.279    16.367    0.000    0.000
LGA    K     3_A      K     3_A     8.586     0    0.266   1.154    14.574   12.738    5.979
LGA    E     4_A      E     4_A     3.594     0    0.526   1.042     8.610   39.048   24.286
LGA    R     5_A      R     5_A     4.881     0    0.676   1.203    16.099   30.714   12.857
LGA    A     6_A      A     6_A     2.786     0    0.537   0.552     3.904   68.929   63.810
LGA    L     7_A      L     7_A     1.300     0    0.063   0.104     3.004   75.119   70.119
LGA    T     8_A      T     8_A     0.871     0    0.038   0.049     1.561   92.857   86.735
LGA    L     9_A      L     9_A     0.852     0    0.012   0.106     1.299   90.476   88.214
LGA    E    10_A      E    10_A     1.094     0    0.041   0.865     2.963   85.952   76.085
LGA    A    11_A      A    11_A     0.670     0    0.020   0.027     0.779   95.238   94.286
LGA    L    12_A      L    12_A     0.496     0    0.021   0.080     0.729   95.238   92.857
LGA    R    13_A      R    13_A     0.675     0    0.029   1.285     5.025   90.476   78.442
LGA    V    14_A      V    14_A     0.590     0    0.027   0.045     0.723   90.476   91.837
LGA    M    15_A      M    15_A     0.467     0    0.038   0.867     2.570   95.238   89.881
LGA    D    16_A      D    16_A     0.549     0    0.027   0.217     1.221   90.476   89.345
LGA    A    17_A      A    17_A     0.656     0    0.022   0.028     0.839   90.476   90.476
LGA    I    18_A      I    18_A     0.592     0    0.040   0.085     1.091   90.476   89.345
LGA    D    19_A      D    19_A     0.691     0    0.072   0.204     1.181   90.476   89.345
LGA    R    20_A      R    20_A     0.606     0    0.102   1.436     5.333   90.476   73.853
LGA    R    21_A      R    21_A     0.916     0    0.068   1.246     3.918   88.214   76.753
LGA    G    22_A      G    22_A     1.059     0    0.035   0.035     1.122   85.952   85.952
LGA    S    23_A      S    23_A     0.670     0    0.040   0.079     0.755   90.476   90.476
LGA    F    24_A      F    24_A     0.501     0    0.022   0.547     1.744   95.238   90.736
LGA    A    25_A      A    25_A     0.439     0    0.011   0.017     0.527   97.619   98.095
LGA    A    26_A      A    26_A     0.616     0    0.017   0.022     0.761   90.476   90.476
LGA    A    27_A      A    27_A     0.759     0    0.017   0.024     0.862   90.476   90.476
LGA    A    28_A      A    28_A     0.431     0    0.022   0.028     0.593   97.619   98.095
LGA    D    29_A      D    29_A     0.567     0    0.018   0.845     2.948   92.857   86.429
LGA    E    30_A      E    30_A     0.870     0    0.015   0.410     1.515   88.214   86.508
LGA    L    31_A      L    31_A     1.034     0    0.141   0.244     1.967   88.214   84.881
LGA    G    32_A      G    32_A     0.910     0    0.024   0.024     0.995   90.476   90.476
LGA    R    33_A      R    33_A     0.339     0    0.055   1.583     6.234   97.619   62.035
LGA    V    34_A      V    34_A     0.145     0    0.068   1.134     2.369   97.619   88.571
LGA    P    35_A      P    35_A     0.520     0    0.018   0.054     1.069   90.595   93.265
LGA    S    36_A      S    36_A     1.192     0    0.143   0.190     1.821   83.690   81.508
LGA    A    37_A      A    37_A     1.222     0    0.013   0.014     1.278   81.429   81.429
LGA    L    38_A      L    38_A     1.070     0    0.059   0.952     3.251   85.952   75.655
LGA    S    39_A      S    39_A     1.019     0    0.051   0.657     1.790   83.690   81.508
LGA    Y    40_A      Y    40_A     1.588     0    0.028   1.299    10.660   77.143   41.310
LGA    T    41_A      T    41_A     1.475     0    0.042   0.061     1.565   81.429   80.204
LGA    M    42_A      M    42_A     1.005     0    0.029   0.938     3.537   81.429   80.060
LGA    Q    43_A      Q    43_A     1.158     0    0.064   0.512     1.999   81.429   79.524
LGA    K    44_A      K    44_A     1.127     0    0.023   1.182     5.632   81.429   61.640
LGA    L    45_A      L    45_A     1.238     0    0.027   0.059     1.879   81.429   78.214
LGA    E    46_A      E    46_A     0.862     0    0.019   0.054     1.319   88.214   86.455
LGA    E    47_A      E    47_A     0.678     0    0.043   0.312     1.918   90.476   87.566
LGA    E    48_A      E    48_A     1.038     0    0.016   0.958     2.519   83.690   74.180
LGA    L    49_A      L    49_A     0.987     0    0.077   0.113     1.723   88.214   82.679
LGA    D    50_A      D    50_A     0.306     0    0.062   0.832     3.437  100.000   81.905
LGA    V    51_A      V    51_A     0.599     0    0.121   1.116     3.811   88.452   80.000
LGA    V    52_A      V    52_A     0.401     0    0.033   0.112     1.041   97.619   91.973
LGA    L    53_A      L    53_A     0.612     0    0.059   1.151     3.119   90.476   82.083
LGA    F    54_A      F    54_A     0.711     0    0.058   1.309     5.041   90.476   71.732
LGA    D    55_A      D    55_A     1.263     0    0.066   0.357     2.430   75.357   77.381
LGA    R    56_A      R    56_A     3.807     0    0.063   1.219     4.968   43.810   41.991
LGA    S    57_A      S    57_A     2.995     0    0.069   0.095     3.048   53.571   53.571
LGA    R    60_A      R    60_A     1.813     6    0.077   0.111     2.400   75.119   34.719
LGA    T    61_A      T    61_A     0.764     0    0.051   0.111     1.693   85.952   82.789
LGA    K    62_A      K    62_A     0.814     0    0.054   0.989     4.422   90.476   74.656
LGA    F    63_A      F    63_A     0.603     0    0.030   0.210     1.291   90.476   87.186
LGA    T    64_A      T    64_A     0.596     0    0.038   0.039     0.721   90.476   90.476
LGA    N    65_A      N    65_A     0.557     0    0.020   0.158     1.105   90.476   90.536
LGA    V    66_A      V    66_A     0.542     0    0.011   0.035     0.613   90.476   91.837
LGA    G    67_A      G    67_A     0.675     0    0.010   0.010     0.704   90.476   90.476
LGA    R    68_A      R    68_A     0.873     0    0.061   0.838     1.817   90.476   84.805
LGA    M    69_A      M    69_A     0.695     0    0.047   0.935     3.235   90.476   86.607
LGA    L    70_A      L    70_A     0.824     0    0.012   0.114     1.282   90.476   89.345
LGA    L    71_A      L    71_A     0.940     0    0.041   0.094     1.067   90.476   89.345
LGA    E    72_A      E    72_A     1.336     0    0.033   0.139     2.494   81.429   73.968
LGA    R    73_A      R    73_A     1.486     0    0.090   1.231     3.410   81.429   68.831
LGA    G    74_A      G    74_A     0.513     0    0.129   0.129     0.806   95.238   95.238
LGA    R    75_A      R    75_A     0.329     0    0.057   0.130     0.812  100.000   93.939
LGA    V    76_A      V    76_A     0.504     0    0.017   0.089     0.862   97.619   94.558
LGA    L    77_A      L    77_A     0.445     0    0.015   0.928     2.807  100.000   92.321
LGA    L    78_A      L    78_A     0.365     0    0.022   0.063     0.412  100.000  100.000
LGA    E    79_A      E    79_A     0.190     0    0.011   0.969     2.968  100.000   81.799
LGA    A    80_A      A    80_A     0.219     0    0.068   0.071     0.505  100.000   98.095
LGA    A    81_A      A    81_A     0.362     0    0.013   0.019     0.461  100.000  100.000
LGA    D    82_A      D    82_A     0.330     0    0.013   0.173     0.790   97.619   97.619
LGA    K    83_A      K    83_A     0.209     0    0.044   0.643     2.408  100.000   89.153
LGA    L    84_A      L    84_A     0.342     0    0.017   1.419     3.311  100.000   83.095
LGA    T    85_A      T    85_A     0.383     0    0.010   0.015     0.456  100.000  100.000
LGA    T    86_A      T    86_A     0.406     0    0.017   0.021     0.517   97.619   98.639
LGA    D    87_A      D    87_A     0.467     0    0.012   0.052     0.681   95.238   97.619
LGA    A    88_A      A    88_A     0.808     0    0.006   0.007     0.956   90.476   90.476
LGA    E    89_A      E    89_A     1.011     0    0.033   0.957     4.371   88.214   67.566
LGA    A    90_A      A    90_A     0.669     0    0.034   0.034     0.786   90.476   90.476
LGA    L    91_A      L    91_A     0.587     0    0.011   1.421     3.521   90.476   76.310
LGA    A    92_A      A    92_A     1.083     0    0.043   0.047     1.323   83.690   83.238
LGA    R    93_A      R    93_A     0.994     0    0.223   1.547     6.167   83.810   68.355
LGA    L    94_A      L    94_A     0.423     0    0.661   0.577     1.422   92.976   96.488
LGA    E    95_A      E    95_A     3.554     0    0.042   0.978    11.711   36.548   19.259

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     712    712  100.00                96
SUMMARY(RMSD_GDC):     2.026          1.947                  2.836           82.028   76.285

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   95   96    4.0     89    1.13    86.198    90.561     7.244

LGA_LOCAL      RMSD:   1.129  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.077  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   2.026  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.678561 * X  +  -0.517143 * Y  +   0.521649 * Z  +  15.242508
  Y_new =  -0.336828 * X  +   0.850166 * Y  +   0.404678 * Z  +  15.181839
  Z_new =  -0.652765 * X  +   0.098893 * Y  +  -0.751078 * Z  +  -1.252761 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.680841  0.711228  3.010678   [DEG: -153.6009   40.7504  172.4991 ]
ZXZ:  2.230585  2.420490 -1.420441   [DEG:  127.8031  138.6839  -81.3853 ]
 
# END of job
