
#######################################################
#                                                     #
#                        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        1.98     1.98
  LCS_AVERAGE:     95.83

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92       2_A - 95_A        1.98     1.98
  LCS_AVERAGE:     95.83

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       7_A - 95_A        0.96     2.04
  LCS_AVERAGE:     87.66

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   92   92      3    3    4    5    6    8    9   11   11   13   16   17   31   37   89   90   92   92   92   92 
LCS_GDT     K     3_A     K     3_A      4   92   92      3    4    4    5    6    9   63   75   78   82   86   91   91   91   91   91   92   92   92   92 
LCS_GDT     E     4_A     E     4_A      4   92   92      3    4    4   69   81   87   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R     5_A     R     5_A     76   92   92      3    4   59   68   76   85   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A     6_A     A     6_A     86   92   92      3   15   23   48   78   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L     7_A     L     7_A     87   92   92      4   50   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     T     8_A     T     8_A     87   92   92     27   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L     9_A     L     9_A     87   92   92     28   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     E    10_A     E    10_A     87   92   92     27   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    11_A     A    11_A     87   92   92     33   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    12_A     L    12_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R    13_A     R    13_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     V    14_A     V    14_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     M    15_A     M    15_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     D    16_A     D    16_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    17_A     A    17_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     I    18_A     I    18_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     D    19_A     D    19_A     87   92   92     32   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R    20_A     R    20_A     87   92   92     32   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R    21_A     R    21_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     G    22_A     G    22_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     S    23_A     S    23_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     F    24_A     F    24_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    25_A     A    25_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    26_A     A    26_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    27_A     A    27_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    28_A     A    28_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     D    29_A     D    29_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     E    30_A     E    30_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    31_A     L    31_A     87   92   92     33   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     G    32_A     G    32_A     87   92   92     34   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R    33_A     R    33_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     V    34_A     V    34_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     P    35_A     P    35_A     87   92   92     27   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     S    36_A     S    36_A     87   92   92     12   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    37_A     A    37_A     87   92   92     12   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    38_A     L    38_A     87   92   92     12   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     S    39_A     S    39_A     87   92   92     13   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     Y    40_A     Y    40_A     87   92   92     13   62   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     T    41_A     T    41_A     87   92   92     10   61   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     M    42_A     M    42_A     87   92   92     10   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     Q    43_A     Q    43_A     87   92   92     13   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     K    44_A     K    44_A     87   92   92     20   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    45_A     L    45_A     87   92   92     10   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     E    46_A     E    46_A     87   92   92     12   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     E    47_A     E    47_A     87   92   92     12   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     E    48_A     E    48_A     87   92   92     12   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    49_A     L    49_A     87   92   92     10   64   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     D    50_A     D    50_A     87   92   92     28   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     V    51_A     V    51_A     87   92   92     28   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     V    52_A     V    52_A     87   92   92     28   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    53_A     L    53_A     87   92   92     32   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     F    54_A     F    54_A     87   92   92     14   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     D    55_A     D    55_A     87   92   92     10   64   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R    56_A     R    56_A     87   92   92      3   11   23   64   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     S    57_A     S    57_A     87   92   92      5   15   39   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R    60_A     R    60_A     87   92   92     10   47   77   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     T    61_A     T    61_A     87   92   92     10   64   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     K    62_A     K    62_A     87   92   92     18   64   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     F    63_A     F    63_A     87   92   92     32   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     T    64_A     T    64_A     87   92   92     32   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     N    65_A     N    65_A     87   92   92     32   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     V    66_A     V    66_A     87   92   92     32   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     G    67_A     G    67_A     87   92   92     27   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R    68_A     R    68_A     87   92   92     24   64   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     M    69_A     M    69_A     87   92   92     32   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    70_A     L    70_A     87   92   92     32   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    71_A     L    71_A     87   92   92     35   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     E    72_A     E    72_A     87   92   92     11   54   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R    73_A     R    73_A     87   92   92     28   52   77   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     G    74_A     G    74_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R    75_A     R    75_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     V    76_A     V    76_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    77_A     L    77_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    78_A     L    78_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     E    79_A     E    79_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    80_A     A    80_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    81_A     A    81_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     D    82_A     D    82_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     K    83_A     K    83_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    84_A     L    84_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     T    85_A     T    85_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     T    86_A     T    86_A     87   92   92     39   65   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     D    87_A     D    87_A     87   92   92     39   64   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    88_A     A    88_A     87   92   92     39   63   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     E    89_A     E    89_A     87   92   92     39   63   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    90_A     A    90_A     87   92   92     39   63   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    91_A     L    91_A     87   92   92     39   63   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     A    92_A     A    92_A     87   92   92     39   55   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     R    93_A     R    93_A     87   92   92     39   55   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     L    94_A     L    94_A     87   92   92     38   55   82   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_GDT     E    95_A     E    95_A     87   92   92     16   52   70   85   87   88   90   90   90   90   90   91   91   91   91   91   92   92   92   92 
LCS_AVERAGE  LCS_A:  93.11  (  87.66   95.83   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     65     82     85     87     88     90     90     90     90     90     91     91     91     91     91     92     92     92     92 
GDT PERCENT_AT  40.62  67.71  85.42  88.54  90.62  91.67  93.75  93.75  93.75  93.75  93.75  94.79  94.79  94.79  94.79  94.79  95.83  95.83  95.83  95.83
GDT RMS_LOCAL    0.28   0.68   0.84   0.89   0.96   1.01   1.16   1.16   1.16   1.16   1.16   1.48   1.48   1.48   1.48   1.48   1.98   1.98   1.98   1.98
GDT RMS_ALL_AT   2.34   2.00   2.04   2.04   2.04   2.04   2.02   2.02   2.02   2.02   2.02   2.00   2.00   2.00   2.00   2.00   1.98   1.98   1.98   1.98

# 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:  F    54_A      F    54_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    13.171     0    0.295   0.292    15.897    0.000    0.000
LGA    K     3_A      K     3_A     8.929     0    0.251   1.152    15.773   10.476    4.815
LGA    E     4_A      E     4_A     3.633     0    0.526   1.169     8.614   37.857   24.921
LGA    R     5_A      R     5_A     4.145     0    0.657   1.056    15.772   35.238   15.541
LGA    A     6_A      A     6_A     3.022     0    0.548   0.560     4.298   63.095   57.905
LGA    L     7_A      L     7_A     1.273     0    0.017   0.084     3.019   77.143   71.131
LGA    T     8_A      T     8_A     0.951     0    0.034   0.051     1.644   92.857   86.735
LGA    L     9_A      L     9_A     0.948     0    0.009   0.108     1.435   90.476   85.952
LGA    E    10_A      E    10_A     1.112     0    0.030   1.214     3.722   85.952   77.302
LGA    A    11_A      A    11_A     0.652     0    0.016   0.023     0.802   95.238   94.286
LGA    L    12_A      L    12_A     0.580     0    0.024   0.088     0.756   90.476   90.476
LGA    R    13_A      R    13_A     0.764     0    0.026   1.287     4.909   90.476   80.476
LGA    V    14_A      V    14_A     0.515     0    0.025   0.069     0.613   95.238   95.918
LGA    M    15_A      M    15_A     0.412     0    0.031   0.846     2.398   95.238   92.024
LGA    D    16_A      D    16_A     0.639     0    0.027   0.203     1.239   90.476   89.345
LGA    A    17_A      A    17_A     0.668     0    0.028   0.032     0.755   90.476   90.476
LGA    I    18_A      I    18_A     0.549     0    0.034   0.082     0.843   90.476   90.476
LGA    D    19_A      D    19_A     0.761     0    0.067   0.154     1.029   88.214   88.214
LGA    R    20_A      R    20_A     0.703     0    0.104   1.443     5.348   90.476   73.030
LGA    R    21_A      R    21_A     0.705     0    0.064   1.246     3.967   90.476   79.221
LGA    G    22_A      G    22_A     0.833     0    0.023   0.023     0.900   90.476   90.476
LGA    S    23_A      S    23_A     0.662     0    0.040   0.072     0.694   92.857   92.063
LGA    F    24_A      F    24_A     0.542     0    0.023   0.527     1.778   92.857   88.139
LGA    A    25_A      A    25_A     0.575     0    0.010   0.016     0.602   90.476   90.476
LGA    A    26_A      A    26_A     0.655     0    0.012   0.016     0.774   90.476   90.476
LGA    A    27_A      A    27_A     0.684     0    0.018   0.024     0.763   90.476   90.476
LGA    A    28_A      A    28_A     0.417     0    0.020   0.025     0.505   97.619   98.095
LGA    D    29_A      D    29_A     0.537     0    0.020   0.849     2.965   92.857   86.429
LGA    E    30_A      E    30_A     0.762     0    0.020   0.412     1.419   90.476   89.471
LGA    L    31_A      L    31_A     0.784     0    0.021   0.139     1.491   90.476   88.214
LGA    G    32_A      G    32_A     0.625     0    0.033   0.033     0.625   95.238   95.238
LGA    R    33_A      R    33_A     0.125     0    0.059   1.682     6.480  100.000   63.463
LGA    V    34_A      V    34_A     0.123     0    0.066   1.134     2.554  100.000   88.844
LGA    P    35_A      P    35_A     0.489     0    0.009   0.052     1.027   92.976   93.265
LGA    S    36_A      S    36_A     1.175     0    0.146   0.194     1.879   83.690   81.508
LGA    A    37_A      A    37_A     1.171     0    0.014   0.015     1.215   81.429   81.429
LGA    L    38_A      L    38_A     1.081     0    0.051   0.939     3.108   81.429   74.464
LGA    S    39_A      S    39_A     1.026     0    0.043   0.062     1.127   83.690   82.937
LGA    Y    40_A      Y    40_A     1.452     0    0.034   1.296    10.514   81.429   43.929
LGA    T    41_A      T    41_A     1.396     0    0.028   0.033     1.495   81.429   81.429
LGA    M    42_A      M    42_A     1.011     0    0.038   0.113     1.225   81.429   85.952
LGA    Q    43_A      Q    43_A     1.190     0    0.069   0.163     1.813   81.429   80.476
LGA    K    44_A      K    44_A     1.111     0    0.064   0.917     3.920   81.429   73.492
LGA    L    45_A      L    45_A     1.254     0    0.026   0.067     1.760   81.429   78.214
LGA    E    46_A      E    46_A     1.042     0    0.020   0.116     1.658   81.429   80.476
LGA    E    47_A      E    47_A     0.983     0    0.052   0.288     1.657   83.690   83.492
LGA    E    48_A      E    48_A     1.031     0    0.015   0.178     1.076   83.690   87.513
LGA    L    49_A      L    49_A     1.116     0    0.062   0.104     1.962   83.690   79.345
LGA    D    50_A      D    50_A     0.400     0    0.061   0.878     3.727   97.619   79.881
LGA    V    51_A      V    51_A     0.676     0    0.118   1.121     3.830   86.071   78.639
LGA    V    52_A      V    52_A     0.517     0    0.037   0.107     1.201   95.238   90.612
LGA    L    53_A      L    53_A     0.669     0    0.048   1.161     3.131   90.476   82.083
LGA    F    54_A      F    54_A     0.802     0    0.024   0.124     1.203   90.476   88.009
LGA    D    55_A      D    55_A     1.069     0    0.121   0.346     1.810   79.405   82.679
LGA    R    56_A      R    56_A     2.994     0    0.072   0.804     8.339   55.595   37.879
LGA    S    57_A      S    57_A     2.070     0    0.686   0.599     2.962   62.857   63.492
LGA    R    60_A      R    60_A     1.765     6    0.106   0.153     2.057   75.119   34.719
LGA    T    61_A      T    61_A     0.931     0    0.031   0.091     1.295   85.952   86.599
LGA    K    62_A      K    62_A     1.056     0    0.103   0.998     4.208   85.952   73.598
LGA    F    63_A      F    63_A     0.655     0    0.013   0.026     0.771   90.476   90.476
LGA    T    64_A      T    64_A     0.624     0    0.043   0.049     0.754   90.476   90.476
LGA    N    65_A      N    65_A     0.575     0    0.022   0.161     1.149   90.476   90.536
LGA    V    66_A      V    66_A     0.536     0    0.011   0.035     0.607   90.476   91.837
LGA    G    67_A      G    67_A     0.711     0    0.015   0.015     0.733   90.476   90.476
LGA    R    68_A      R    68_A     0.906     0    0.052   0.843     1.839   90.476   84.805
LGA    M    69_A      M    69_A     0.648     0    0.051   0.937     3.300   90.476   86.607
LGA    L    70_A      L    70_A     0.762     0    0.011   0.109     1.226   90.476   89.345
LGA    L    71_A      L    71_A     0.898     0    0.031   0.107     1.013   85.952   88.214
LGA    E    72_A      E    72_A     1.488     0    0.050   0.871     4.114   77.143   64.286
LGA    R    73_A      R    73_A     1.729     0    0.094   1.229     3.570   77.143   63.247
LGA    G    74_A      G    74_A     0.678     0    0.130   0.130     1.024   88.214   88.214
LGA    R    75_A      R    75_A     0.564     0    0.059   0.154     0.839   90.476   90.476
LGA    V    76_A      V    76_A     0.801     0    0.017   0.091     1.197   90.476   87.891
LGA    L    77_A      L    77_A     0.693     0    0.014   0.925     2.780   90.476   85.298
LGA    L    78_A      L    78_A     0.570     0    0.023   0.068     0.603   95.238   92.857
LGA    E    79_A      E    79_A     0.404     0    0.011   0.969     3.073  100.000   82.698
LGA    A    80_A      A    80_A     0.413     0    0.072   0.076     0.678  100.000   98.095
LGA    A    81_A      A    81_A     0.408     0    0.012   0.017     0.462  100.000  100.000
LGA    D    82_A      D    82_A     0.258     0    0.014   0.178     0.659  100.000   98.810
LGA    K    83_A      K    83_A     0.226     0    0.047   0.641     2.380  100.000   90.106
LGA    L    84_A      L    84_A     0.444     0    0.018   1.421     3.357   97.619   81.905
LGA    T    85_A      T    85_A     0.427     0    0.009   0.019     0.522   97.619   98.639
LGA    T    86_A      T    86_A     0.469     0    0.016   0.023     0.667   95.238   95.918
LGA    D    87_A      D    87_A     0.647     0    0.014   0.053     0.932   90.476   90.476
LGA    A    88_A      A    88_A     0.973     0    0.000   0.004     1.169   85.952   85.048
LGA    E    89_A      E    89_A     1.199     0    0.031   0.944     4.243   81.429   64.550
LGA    A    90_A      A    90_A     1.027     0    0.028   0.029     1.075   81.429   83.238
LGA    L    91_A      L    91_A     1.038     0    0.008   1.425     3.826   83.690   70.833
LGA    A    92_A      A    92_A     1.462     0    0.015   0.017     1.631   77.143   76.286
LGA    R    93_A      R    93_A     1.509     0    0.032   1.598     6.295   75.000   61.991
LGA    L    94_A      L    94_A     1.496     0    0.090   0.145     2.014   75.119   78.274
LGA    E    95_A      E    95_A     1.884     0    0.344   0.911     6.510   75.000   52.910

# 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):     1.980          1.891                  2.716           81.233   76.157

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   95   96    4.0     90    1.16    86.198    91.086     7.116

LGA_LOCAL      RMSD:   1.165  Number of atoms:   90  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.020  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   1.980  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.599805 * X  +  -0.596624 * Y  +   0.533173 * Z  +  11.732417
  Y_new =   0.516996 * X  +   0.797549 * Y  +   0.310856 * Z  +  14.549435
  Z_new =  -0.610696 * X  +   0.089196 * Y  +   0.786826 * Z  +  -1.007055 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.711386  0.656939  0.112880   [DEG:   40.7594   37.6398    6.4675 ]
ZXZ:  2.098644  0.665147 -1.425766   [DEG:  120.2434   38.1101  -81.6904 ]
 
# END of job
