
#######################################################
#                                                     #
#                        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   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   87 , 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:    87       1_A - 87_A        0.83     0.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        0.83     0.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        0.83     0.83
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
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     G     1_A     G     1_A     87   87   87      5   50   84   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S     2_A     S     2_A     87   87   87     32   64   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A     3_A     A     3_A     87   87   87     32   70   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D     4_A     D     4_A     87   87   87     27   67   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L     5_A     L     5_A     87   87   87     32   69   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A     6_A     A     6_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     H     7_A     H     7_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G     8_A     G     8_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K     9_A     K     9_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    10_A     A    10_A     87   87   87     29   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    11_A     I    11_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     F    12_A     F    12_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    13_A     A    13_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    14_A     G    14_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    15_A     N    15_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     C    16_A     C    16_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    17_A     A    17_A     87   87   87      4   44   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    18_A     A    18_A     87   87   87      4   41   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     C    19_A     C    19_A     87   87   87     27   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     H    20_A     H    20_A     87   87   87     31   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    21_A     N    21_A     87   87   87     20   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    22_A     G    22_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    23_A     G    23_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    24_A     L    24_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    25_A     N    25_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    26_A     A    26_A     87   87   87     30   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    27_A     I    27_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    28_A     N    28_A     87   87   87      3   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     P    29_A     P    29_A     87   87   87      3   27   77   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    30_A     S    30_A     87   87   87      4   54   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    31_A     K    31_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    32_A     T    32_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    33_A     L    33_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    34_A     K    34_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    35_A     M    35_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    36_A     A    36_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    37_A     D    37_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    38_A     L    38_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    39_A     E    39_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    40_A     A    40_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    41_A     N    41_A     87   87   87     31   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    42_A     G    42_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    43_A     K    43_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    44_A     N    44_A     87   87   87     17   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    45_A     S    45_A     87   87   87     18   61   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    46_A     V    46_A     87   87   87     16   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    47_A     A    47_A     87   87   87     29   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    48_A     A    48_A     87   87   87     31   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    49_A     I    49_A     87   87   87     28   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    50_A     V    50_A     87   87   87     29   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    51_A     A    51_A     87   87   87     29   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     87   87   87     31   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    53_A     I    53_A     87   87   87     28   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     T    54_A     T    54_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    55_A     N    55_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    56_A     G    56_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     N    57_A     N    57_A     87   87   87     32   68   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    58_A     G    58_A     87   87   87     27   67   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    59_A     A    59_A     87   87   87     27   67   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    60_A     M    60_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     P    61_A     P    61_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    62_A     G    62_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     F    63_A     F    63_A     87   87   87     18   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    64_A     K    64_A     87   87   87      9   57   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    65_A     G    65_A     87   87   87     29   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     R    66_A     R    66_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     I    67_A     I    67_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    68_A     S    68_A     87   87   87     23   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    69_A     D    69_A     87   87   87     23   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     S    70_A     S    70_A     87   87   87     23   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    71_A     D    71_A     87   87   87     13   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     M    72_A     M    72_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    73_A     E    73_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    74_A     D    74_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    75_A     V    75_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    76_A     A    76_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    77_A     A    77_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     V    79_A     V    79_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     L    80_A     L    80_A     87   87   87     31   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     D    81_A     D    81_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     A    83_A     A    83_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     E    84_A     E    84_A     87   87   87     32   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     K    85_A     K    85_A     87   87   87      5   68   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     G    86_A     G    86_A     87   87   87     10   71   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_GDT     W    87_A     W    87_A     87   87   87     17   64   85   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87   87 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     32     71     85     87     87     87     87     87     87     87     87     87     87     87     87     87     87     87     87     87 
GDT PERCENT_AT  36.78  81.61  97.70 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.64   0.79   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83
GDT RMS_ALL_AT   1.17   0.87   0.84   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83   0.83

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  D    81_A      D    81_A
#   possible swapping detected:  E    84_A      E    84_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     1.812     0    0.094   0.094     2.077   68.810   68.810
LGA    S     2_A      S     2_A     1.318     0    0.082   0.536     1.520   85.952   83.016
LGA    A     3_A      A     3_A     0.838     0    0.059   0.058     1.050   88.214   88.667
LGA    D     4_A      D     4_A     1.101     0    0.028   0.095     1.723   83.690   79.345
LGA    L     5_A      L     5_A     1.054     0    0.039   1.431     4.938   85.952   69.583
LGA    A     6_A      A     6_A     0.597     0    0.041   0.043     0.685   95.238   94.286
LGA    H     7_A      H     7_A     0.483     0    0.025   1.101     5.706   97.619   70.238
LGA    G     8_A      G     8_A     0.637     0    0.032   0.032     0.637   90.476   90.476
LGA    K     9_A      K     9_A     0.624     0    0.034   1.113     3.104   90.476   76.561
LGA    A    10_A      A    10_A     0.624     0    0.041   0.044     0.644   90.476   90.476
LGA    I    11_A      I    11_A     0.414     0    0.019   0.103     0.566   97.619   97.619
LGA    F    12_A      F    12_A     0.487     0    0.032   0.101     0.581   97.619   97.403
LGA    A    13_A      A    13_A     0.458     0    0.043   0.046     0.518  100.000   98.095
LGA    G    14_A      G    14_A     0.336     0    0.122   0.122     0.723   97.619   97.619
LGA    N    15_A      N    15_A     0.496     0    0.068   0.567     1.576   95.238   91.905
LGA    C    16_A      C    16_A     0.360     0    0.175   0.222     0.755  100.000   98.413
LGA    A    17_A      A    17_A     1.310     0    0.051   0.050     2.074   83.690   79.905
LGA    A    18_A      A    18_A     1.458     0    0.029   0.042     2.054   85.952   81.714
LGA    C    19_A      C    19_A     0.563     0    0.047   0.762     4.034   90.595   80.159
LGA    H    20_A      H    20_A     0.611     0    0.242   0.228     1.066   95.238   90.571
LGA    N    21_A      N    21_A     1.100     0    0.025   0.935     3.383   85.952   75.536
LGA    G    22_A      G    22_A     0.363     0    0.110   0.110     0.549   95.238   95.238
LGA    G    23_A      G    23_A     0.463     0    0.054   0.054     0.463  100.000  100.000
LGA    L    24_A      L    24_A     0.499     0    0.056   1.171     4.549   97.619   77.024
LGA    N    25_A      N    25_A     0.413     0    0.024   0.097     0.739   97.619   96.429
LGA    A    26_A      A    26_A     0.364     0    0.046   0.071     0.370  100.000  100.000
LGA    I    27_A      I    27_A     0.491     0    0.032   1.171     3.751  100.000   80.119
LGA    N    28_A      N    28_A     0.673     0    0.306   1.082     4.082   92.857   76.488
LGA    P    29_A      P    29_A     1.792     0    0.694   0.674     3.634   67.619   65.442
LGA    S    30_A      S    30_A     1.484     0    0.081   0.574     3.796   83.690   75.159
LGA    K    31_A      K    31_A     0.398     0    0.268   1.152     4.173   95.238   79.153
LGA    T    32_A      T    32_A     0.376     0    0.028   0.061     0.594  100.000   98.639
LGA    L    33_A      L    33_A     0.357     0    0.127   0.191     0.934   97.619   94.048
LGA    K    34_A      K    34_A     0.396     0    0.037   0.833     6.112  100.000   76.825
LGA    M    35_A      M    35_A     0.275     0    0.025   1.100     4.955  100.000   84.881
LGA    A    36_A      A    36_A     0.522     0    0.043   0.044     0.702   95.238   94.286
LGA    D    37_A      D    37_A     0.458     0    0.027   0.158     0.805   97.619   95.238
LGA    L    38_A      L    38_A     0.328     0    0.036   0.119     0.617   95.238   95.238
LGA    E    39_A      E    39_A     0.826     0    0.020   0.778     2.651   88.214   77.249
LGA    A    40_A      A    40_A     1.038     0    0.112   0.110     1.139   88.214   86.857
LGA    N    41_A      N    41_A     1.208     0    0.222   0.300     2.138   81.429   78.333
LGA    G    42_A      G    42_A     1.175     0    0.122   0.122     1.175   85.952   85.952
LGA    K    43_A      K    43_A     0.896     0    0.050   0.777     1.838   90.476   85.556
LGA    N    44_A      N    44_A     1.074     0    0.430   0.398     2.098   85.952   79.464
LGA    S    45_A      S    45_A     1.247     0    0.025   0.541     1.657   81.429   80.000
LGA    V    46_A      V    46_A     1.025     0    0.045   0.159     1.475   85.952   84.014
LGA    A    47_A      A    47_A     0.519     0    0.047   0.049     0.722   95.238   94.286
LGA    A    48_A      A    48_A     0.454     0    0.056   0.058     0.508   97.619   98.095
LGA    I    49_A      I    49_A     0.637     0    0.041   0.128     0.974   90.476   90.476
LGA    V    50_A      V    50_A     0.605     0    0.031   0.142     1.078   92.857   90.544
LGA    A    51_A      A    51_A     0.208     0    0.035   0.038     0.354  100.000  100.000
LGA    Q    52_A      Q    52_A     0.334     0    0.036   0.774     2.800  100.000   89.101
LGA    I    53_A      I    53_A     0.623     0    0.028   1.082     2.377   92.857   84.048
LGA    T    54_A      T    54_A     0.764     0    0.050   1.127     3.362   90.476   82.177
LGA    N    55_A      N    55_A     0.761     0    0.050   1.035     3.435   90.476   80.000
LGA    G    56_A      G    56_A     0.598     0    0.089   0.089     0.725   90.476   90.476
LGA    N    57_A      N    57_A     1.007     0    0.050   0.969     2.683   88.214   81.786
LGA    G    58_A      G    58_A     1.138     0    0.026   0.026     1.138   83.690   83.690
LGA    A    59_A      A    59_A     1.012     0    0.171   0.172     1.463   85.952   85.048
LGA    M    60_A      M    60_A     0.447     0    0.051   0.272     1.444   97.619   96.488
LGA    P    61_A      P    61_A     0.517     0    0.046   0.405     1.309   90.476   90.544
LGA    G    62_A      G    62_A     0.696     0    0.087   0.087     0.747   90.476   90.476
LGA    F    63_A      F    63_A     0.799     0    0.197   0.237     0.810   90.476   90.476
LGA    K    64_A      K    64_A     1.328     0    0.033   0.778     4.465   83.690   67.619
LGA    G    65_A      G    65_A     0.585     0    0.251   0.251     0.749   92.857   92.857
LGA    R    66_A      R    66_A     0.587     0    0.139   1.765     8.518   88.214   62.771
LGA    I    67_A      I    67_A     0.689     0    0.053   1.228     3.222   90.476   80.000
LGA    S    68_A      S    68_A     0.860     0    0.059   0.059     0.924   90.476   90.476
LGA    D    69_A      D    69_A     0.933     0    0.035   0.321     2.106   90.476   86.131
LGA    S    70_A      S    70_A     0.793     0    0.032   0.069     0.884   90.476   90.476
LGA    D    71_A      D    71_A     0.813     0    0.066   0.118     1.358   92.857   88.274
LGA    M    72_A      M    72_A     0.621     0    0.028   0.774     2.400   90.476   86.131
LGA    E    73_A      E    73_A     0.921     0    0.035   0.600     3.473   90.476   76.772
LGA    D    74_A      D    74_A     0.674     0    0.046   0.083     0.786   90.476   91.667
LGA    V    75_A      V    75_A     0.838     0    0.020   0.984     2.922   90.476   83.129
LGA    A    76_A      A    76_A     0.788     0    0.036   0.041     0.808   90.476   90.476
LGA    A    77_A      A    77_A     0.834     0    0.035   0.041     0.927   90.476   90.476
LGA    Y    78_A      Y    78_A     0.853     0    0.028   0.167     1.039   90.476   88.968
LGA    V    79_A      V    79_A     0.797     0    0.026   0.131     0.929   90.476   90.476
LGA    L    80_A      L    80_A     0.893     0    0.060   0.825     3.384   90.476   81.012
LGA    D    81_A      D    81_A     0.928     0    0.028   0.622     1.890   90.476   84.940
LGA    Q    82_A      Q    82_A     0.929     0    0.032   0.263     1.527   90.476   85.503
LGA    A    83_A      A    83_A     0.584     0    0.038   0.047     0.732   92.857   92.381
LGA    E    84_A      E    84_A     0.479     0    0.038   1.127     4.235   92.857   72.328
LGA    K    85_A      K    85_A     1.085     0    0.143   0.929     3.249   88.214   78.095
LGA    G    86_A      G    86_A     0.703     0    0.485   0.485     2.181   84.048   84.048
LGA    W    87_A      W    87_A     1.489     0    0.503   0.402     1.825   75.000   84.762

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     616    616  100.00                87
SUMMARY(RMSD_GDC):     0.832          0.829                  1.471           91.089   85.971

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     87    0.83    95.402    98.377     9.337

LGA_LOCAL      RMSD:   0.832  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.832  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   0.832  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.404646 * X  +  -0.058070 * Y  +  -0.912628 * Z  +  13.821206
  Y_new =  -0.879383 * X  +  -0.249094 * Y  +   0.405756 * Z  +  20.886848
  Z_new =  -0.250892 * X  +   0.966737 * Y  +   0.049729 * Z  +  87.405190 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.002057  0.253602  1.519402   [DEG: -114.7094   14.5303   87.0553 ]
ZXZ: -1.989152  1.521047 -0.253923   [DEG: -113.9700   87.1496  -14.5487 ]
 
# END of job
