
#######################################################
#                                                     #
#                        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  109 (  875),  selected  109 , name one
# Molecule2: number of CA atoms  109 (  875),  selected  109 , 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:   109       1_A - 109_A       1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.38     1.38
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      47_A - 106_A       0.99     1.41
  LONGEST_CONTINUOUS_SEGMENT:    60      48_A - 107_A       1.00     1.42
  LCS_AVERAGE:     46.84

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  109
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     41  109  109     32   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     41  109  109     50   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     41  109  109      7   82   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     41  109  109     56   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     41  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     41  109  109     13   78   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     41  109  109     13   72   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     41  109  109     14   44   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     41  109  109      3   48   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     41  109  109      7   35   86  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     41  109  109      7   28   73   98  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     41  109  109      8   40   90  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     41  109  109      8   47   90  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     21  109  109      8   21   44   86  103  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     21  109  109      8   23   81   98  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     21  109  109     26   82   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     21  109  109     11   66   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     56  109  109      8   67   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     60  109  109     16   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     60  109  109     10   52   89  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     60  109  109      9   19   67   94  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     60  109  109     13   52   89  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     60  109  109      3    4    5   54   93   99  104  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A     60  109  109      3   64   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A     60  109  109     50   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     60  109  109     56   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     60  109  109     56   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     60  109  109     43   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     60  109  109     56   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     60  109  109      4   72   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     60  109  109     56   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     60  109  109     65   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     60  109  109     66   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     60  109  109     57   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     60  109  109     50   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     60  109  109     65   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     60  109  109     32   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     60  109  109     32   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     60  109  109     32   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     60  109  109     33   84   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     60  109  109     32   82   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     60  109  109     32   80   91  100  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     60  109  109     32   81   91   99  104  106  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A     59  109  109      4   49   80   92   97  103  106  107  108  108  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A     25  109  109      3    3    6    7    8   12   15   99  105  108  109  109  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  82.28  (  46.84  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     66     84     91    100    104    106    106    107    108    108    109    109    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  60.55  77.06  83.49  91.74  95.41  97.25  97.25  98.17  99.08  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.50   0.63   0.88   0.99   1.08   1.08   1.13   1.21   1.21   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38
GDT RMS_ALL_AT   1.46   1.42   1.42   1.39   1.39   1.40   1.40   1.39   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38

# Checking swapping
#   possible swapping detected:  E    12_A      E    12_A
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    59_A      F    59_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  E   103_A      E   103_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A     1.350     0    0.094   0.094     1.350   83.690   83.690
LGA    P     2_A      P     2_A     0.914     0    0.023   0.141     1.388   88.214   85.306
LGA    I     3_A      I     3_A     0.504     0    0.066   1.041     2.899   95.238   82.321
LGA    I     4_A      I     4_A     0.542     0    0.054   0.875     2.408   92.857   85.119
LGA    E     5_A      E     5_A     0.589     0    0.015   0.961     5.113   95.238   74.286
LGA    N     6_A      N     6_A     0.318     0    0.016   0.059     0.634  100.000   98.810
LGA    C     7_A      C     7_A     0.258     0    0.021   0.053     0.287  100.000  100.000
LGA    A     8_A      A     8_A     0.336     0    0.060   0.072     0.347  100.000  100.000
LGA    A     9_A      A     9_A     0.221     0    0.041   0.039     0.509   97.619   98.095
LGA    F    10_A      F    10_A     0.206     0    0.017   0.051     0.476  100.000  100.000
LGA    I    11_A      I    11_A     0.169     0    0.010   0.069     0.419  100.000  100.000
LGA    E    12_A      E    12_A     0.439     0    0.014   0.038     0.719   97.619   95.767
LGA    K    13_A      K    13_A     0.623     0    0.108   1.295     6.395   90.595   71.217
LGA    T    14_A      T    14_A     1.025     0    0.118   1.027     2.619   88.214   80.612
LGA    M    15_A      M    15_A     0.590     0    0.064   0.275     0.780   92.857   92.857
LGA    S    16_A      S    16_A     0.963     0    0.062   0.103     1.392   90.476   87.460
LGA    K    17_A      K    17_A     0.663     0    0.010   1.429     6.049   90.476   74.603
LGA    Y    18_A      Y    18_A     0.599     0    0.036   0.067     0.703   90.476   91.270
LGA    A    19_A      A    19_A     0.518     0    0.038   0.045     0.637   95.238   94.286
LGA    I    20_A      I    20_A     0.563     0    0.016   0.026     0.852   90.476   90.476
LGA    T    21_A      T    21_A     0.623     0    0.016   0.049     0.970   90.476   90.476
LGA    L    22_A      L    22_A     0.666     0    0.032   0.080     0.918   90.476   90.476
LGA    S    23_A      S    23_A     0.437     0    0.067   0.081     0.658   95.238   95.238
LGA    D    24_A      D    24_A     0.519     0    0.079   0.168     1.515   92.857   89.464
LGA    G    25_A      G    25_A     0.595     0    0.053   0.053     0.716   90.476   90.476
LGA    T    26_A      T    26_A     0.727     0    0.013   0.091     0.995   90.476   90.476
LGA    I    27_A      I    27_A     0.716     0    0.029   0.092     0.968   90.476   90.476
LGA    L    28_A      L    28_A     0.629     0    0.009   0.044     0.666   90.476   90.476
LGA    K    29_A      K    29_A     0.548     0    0.038   0.447     2.349   90.476   85.661
LGA    S    30_A      S    30_A     0.839     0    0.030   0.046     1.034   88.214   88.968
LGA    T    31_A      T    31_A     0.910     0    0.048   0.061     0.962   90.476   90.476
LGA    I    32_A      I    32_A     0.681     0    0.078   0.119     1.112   88.214   94.107
LGA    K    33_A      K    33_A     0.959     0    0.090   0.720     6.013   92.857   70.370
LGA    N    34_A      N    34_A     1.201     0    0.049   0.238     2.868   81.548   73.214
LGA    E    35_A      E    35_A     1.452     0    0.013   0.908     3.618   75.119   70.688
LGA    T    36_A      T    36_A     1.557     0    0.054   0.084     1.891   75.000   74.082
LGA    L    37_A      L    37_A     1.619     0    0.056   1.385     2.871   72.976   72.083
LGA    K    38_A      K    38_A     2.277     0    0.039   0.807     8.091   62.976   42.910
LGA    K    39_A      K    39_A     2.775     0    0.084   0.175     3.198   55.357   55.556
LGA    T    40_A      T    40_A     1.937     0    0.097   1.111     2.446   70.833   69.388
LGA    F    41_A      F    41_A     2.097     0    0.061   0.543     2.736   66.786   62.727
LGA    P    42_A      P    42_A     3.529     0    0.017   0.280     5.284   48.333   42.857
LGA    I    43_A      I    43_A     2.718     0    0.008   0.070     4.108   65.000   55.060
LGA    L    44_A      L    44_A     0.771     0    0.033   1.354     3.186   90.595   79.405
LGA    K    45_A      K    45_A     1.760     0    0.014   0.779     3.051   75.000   66.825
LGA    N    46_A      N    46_A     1.911     0    0.033   0.870     5.931   79.405   58.095
LGA    L    47_A      L    47_A     0.848     0    0.021   0.061     3.055   88.214   74.702
LGA    L    48_A      L    48_A     1.807     0    0.054   0.081     2.862   71.310   67.083
LGA    K    49_A      K    49_A     2.877     0    0.044   0.822     7.676   55.595   39.788
LGA    D    50_A      D    50_A     1.992     0    0.057   0.376     5.967   75.119   53.988
LGA    Q    51_A      Q    51_A     4.635     0    0.339   0.820    11.182   39.524   19.894
LGA    I    52_A      I    52_A     1.968     0    0.154   1.120     2.807   75.119   70.000
LGA    P    53_A      P    53_A     0.712     0    0.048   0.285     1.771   88.214   86.735
LGA    T    54_A      T    54_A     0.308     0    0.010   0.046     0.493  100.000  100.000
LGA    G    55_A      G    55_A     0.682     0    0.053   0.053     0.780   90.476   90.476
LGA    S    56_A      S    56_A     0.768     0    0.026   0.037     0.835   90.476   90.476
LGA    S    57_A      S    57_A     0.585     0    0.059   0.074     0.740   90.476   90.476
LGA    F    58_A      F    58_A     0.345     0    0.041   0.180     0.895  100.000   95.671
LGA    F    59_A      F    59_A     0.350     0    0.067   0.100     0.602  100.000   95.671
LGA    K    60_A      K    60_A     0.412     0    0.035   0.670     3.171   97.619   88.148
LGA    L    61_A      L    61_A     0.412     0    0.028   0.182     1.498   95.238   91.726
LGA    P    62_A      P    62_A     0.291     0    0.084   0.090     0.417  100.000  100.000
LGA    V    63_A      V    63_A     0.235     0    0.045   0.094     0.840  100.000   98.639
LGA    V    64_A      V    64_A     0.439     0    0.035   0.128     0.644   97.619   97.279
LGA    F    65_A      F    65_A     0.335     0    0.025   0.063     0.799  100.000   94.805
LGA    F    66_A      F    66_A     0.436     0    0.034   0.058     0.539  100.000   98.268
LGA    R    67_A      R    67_A     0.353     0    0.048   0.481     2.189   97.619   89.394
LGA    V    68_A      V    68_A     0.303     0    0.064   1.185     2.684  100.000   88.639
LGA    T    69_A      T    69_A     0.346     0    0.020   0.076     0.380  100.000  100.000
LGA    D    70_A      D    70_A     0.620     0    0.064   0.175     1.456   90.476   89.345
LGA    N    71_A      N    71_A     0.614     0    0.186   1.180     4.560   90.476   76.667
LGA    V    72_A      V    72_A     0.536     0    0.020   0.032     0.576   95.238   93.197
LGA    I    73_A      I    73_A     0.532     0    0.012   0.634     1.600   95.238   93.036
LGA    V    74_A      V    74_A     0.486     0    0.011   0.073     0.831   97.619   94.558
LGA    I    75_A      I    75_A     0.439     0    0.015   0.048     0.449  100.000  100.000
LGA    L    76_A      L    76_A     0.514     0    0.027   0.057     0.556   92.857   94.048
LGA    L    77_A      L    77_A     0.377     0    0.078   0.071     0.592   97.619   96.429
LGA    T    78_A      T    78_A     0.537     0    0.006   0.052     0.902   92.857   93.197
LGA    N    79_A      N    79_A     1.445     0    0.048   1.192     5.986   81.429   61.071
LGA    E    80_A      E    80_A     0.673     0    0.022   0.546     2.506   88.214   79.153
LGA    K    81_A      K    81_A     0.906     0    0.046   0.973     6.591   90.476   69.418
LGA    E    82_A      E    82_A     0.622     0    0.033   0.202     0.761   92.857   93.651
LGA    N    83_A      N    83_A     0.711     0    0.044   0.392     1.747   90.476   88.274
LGA    I    84_A      I    84_A     0.330     0    0.043   0.679     3.279  100.000   91.369
LGA    I    85_A      I    85_A     0.340     0    0.009   0.025     0.444  100.000  100.000
LGA    L    86_A      L    86_A     0.608     0    0.070   0.076     0.705   90.476   91.667
LGA    S    87_A      S    87_A     0.656     0    0.012   0.033     0.739   90.476   90.476
LGA    M    88_A      M    88_A     0.564     0    0.021   0.590     1.976   90.476   89.464
LGA    F    89_A      F    89_A     0.587     0    0.026   0.091     0.814   92.857   91.342
LGA    E    90_A      E    90_A     0.664     0    0.068   0.565     2.958   92.857   85.873
LGA    L    91_A      L    91_A     0.544     0    0.012   1.403     3.441   92.857   80.417
LGA    F    92_A      F    92_A     0.300     0    0.009   0.072     0.409  100.000  100.000
LGA    S    93_A      S    93_A     0.295     0    0.059   0.074     0.539  100.000   98.413
LGA    T    94_A      T    94_A     0.325     0    0.054   0.115     0.486  100.000  100.000
LGA    Q    95_A      Q    95_A     0.359     0    0.028   0.095     0.377  100.000  100.000
LGA    F    96_A      F    96_A     0.232     0    0.046   0.082     0.269  100.000  100.000
LGA    A    97_A      A    97_A     0.328     0    0.041   0.045     0.566   97.619   98.095
LGA    E    98_A      E    98_A     0.659     0    0.044   0.729     3.299   90.476   81.164
LGA    K    99_A      K    99_A     0.758     0    0.018   0.236     1.039   90.476   89.471
LGA    L   100_A      L   100_A     0.460     0    0.020   0.025     0.812   95.238   97.619
LGA    A   101_A      A   101_A     1.123     0    0.011   0.023     1.475   83.690   83.238
LGA    L   102_A      L   102_A     1.416     0    0.041   0.057     1.744   79.286   79.286
LGA    E   103_A      E   103_A     1.258     0    0.021   0.189     1.507   79.286   80.476
LGA    Y   104_A      Y   104_A     1.201     0    0.032   0.046     1.318   81.429   86.706
LGA    P   105_A      P   105_A     1.683     0    0.009   0.043     1.940   72.857   72.857
LGA    R   106_A      R   106_A     2.059     0    0.124   1.218     9.205   64.881   43.853
LGA    T   107_A      T   107_A     2.094     0    0.011   0.049     2.714   62.976   68.435
LGA    Y   108_A      Y   108_A     3.689     0    0.493   1.226     9.407   40.476   26.548
LGA    E   109_A      E   109_A     7.190     0    0.660   1.085    13.645    8.929    4.286

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      109     436    436  100.00     875    875  100.00               109
SUMMARY(RMSD_GDC):     1.375          1.387                  2.163           87.390   82.947

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    107    1.13    91.743    95.570     8.680

LGA_LOCAL      RMSD:   1.133  Number of atoms:  107  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.390  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.375  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.451919 * X  +   0.465128 * Y  +  -0.761200 * Z  +  12.131163
  Y_new =  -0.078270 * X  +   0.870691 * Y  +   0.485563 * Z  +   7.766206
  Z_new =   0.888619 * X  +  -0.159856 * Y  +   0.429887 * Z  +  12.708278 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.171494 -1.094324 -0.356011   [DEG:   -9.8259  -62.7002  -20.3979 ]
ZXZ: -2.138612  1.126428  1.748785   [DEG: -122.5335   64.5396  100.1980 ]
 
# END of job
