
#######################################################
#                                                     #
#                        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       1.24     1.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   109       1_A - 109_A       1.24     1.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64      44_A - 107_A       0.99     1.26
  LCS_AVERAGE:     51.38

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     26   77   93  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P     2_A     P     2_A     41  109  109     37   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     3_A     I     3_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I     4_A     I     4_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E     5_A     E     5_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N     6_A     N     6_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     C     7_A     C     7_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     8_A     A     8_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A     9_A     A     9_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    10_A     F    10_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    11_A     I    11_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    12_A     E    12_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    13_A     K    13_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    14_A     T    14_A     44  109  109      7   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    15_A     M    15_A     44  109  109     59   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    16_A     S    16_A     44  109  109     38   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    17_A     K    17_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y    18_A     Y    18_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    19_A     A    19_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    20_A     I    20_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    21_A     T    21_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    22_A     L    22_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    23_A     S    23_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    24_A     D    24_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    25_A     G    25_A     44  109  109     54   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    26_A     T    26_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    27_A     I    27_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    28_A     L    28_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    29_A     K    29_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    30_A     S    30_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    31_A     T    31_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    32_A     I    32_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    33_A     K    33_A     44  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    34_A     N    34_A     44  109  109      6   81   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    35_A     E    35_A     44  109  109     13   73   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    36_A     T    36_A     44  109  109     13   48   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    37_A     L    37_A     44  109  109      3   50   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    38_A     K    38_A     44  109  109      7   41   88  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    39_A     K    39_A     44  109  109      7   30   81  101  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    40_A     T    40_A     44  109  109     10   63   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    41_A     F    41_A     44  109  109     10   49   88  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    42_A     P    42_A     44  109  109     10   16   42   92  104  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    43_A     I    43_A     44  109  109     10   17   89  101  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    44_A     L    44_A     64  109  109     51   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    45_A     K    45_A     64  109  109     10   64   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    46_A     N    46_A     64  109  109     19   80   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    47_A     L    47_A     64  109  109     54   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    48_A     L    48_A     64  109  109     10   53   93  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    49_A     K    49_A     64  109  109     10   58   88  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    50_A     D    50_A     64  109  109      3   81   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    51_A     Q    51_A     64  109  109      3    3   24   51   90  100  105  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    52_A     I    52_A     64  109  109      4   68   92  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    53_A     P    53_A     64  109  109     45   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    54_A     T    54_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     G    55_A     G    55_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    56_A     S    56_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    57_A     S    57_A     64  109  109     51   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    58_A     F    58_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    59_A     F    59_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    60_A     K    60_A     64  109  109     52   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    61_A     L    61_A     64  109  109     59   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P    62_A     P    62_A     64  109  109     59   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    63_A     V    63_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    64_A     V    64_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    65_A     F    65_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    66_A     F    66_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R    67_A     R    67_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    68_A     V    68_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    69_A     T    69_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     D    70_A     D    70_A     64  109  109     59   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    71_A     N    71_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    72_A     V    72_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    73_A     I    73_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     V    74_A     V    74_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    75_A     I    75_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    76_A     L    76_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    77_A     L    77_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    78_A     T    78_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    79_A     N    79_A     64  109  109      5   80   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    80_A     E    80_A     64  109  109     54   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    81_A     K    81_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    82_A     E    82_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     N    83_A     N    83_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    84_A     I    84_A     64  109  109     59   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     I    85_A     I    85_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    86_A     L    86_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    87_A     S    87_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     M    88_A     M    88_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    89_A     F    89_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    90_A     E    90_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L    91_A     L    91_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    92_A     F    92_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     S    93_A     S    93_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T    94_A     T    94_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Q    95_A     Q    95_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     F    96_A     F    96_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A    97_A     A    97_A     64  109  109     63   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E    98_A     E    98_A     64  109  109     59   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     K    99_A     K    99_A     64  109  109     59   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   100_A     L   100_A     64  109  109     59   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     A   101_A     A   101_A     64  109  109     36   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     L   102_A     L   102_A     64  109  109     26   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   103_A     E   103_A     64  109  109     30   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   104_A     Y   104_A     64  109  109     30   83   94  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     P   105_A     P   105_A     64  109  109     26   81   93  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     R   106_A     R   106_A     64  109  109     26   81   93  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     T   107_A     T   107_A     64  109  109     30   83   93  102  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     Y   108_A     Y   108_A     63  109  109      6   62   90   97  106  106  107  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_GDT     E   109_A     E   109_A     59  109  109      3    3    3   38   68   99  104  108  109  109  109  109  109  109  109  109  109  109  109  109 
LCS_AVERAGE  LCS_A:  83.79  (  51.38  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     63     83     94    102    106    106    107    108    109    109    109    109    109    109    109    109    109    109    109    109 
GDT PERCENT_AT  57.80  76.15  86.24  93.58  97.25  97.25  98.17  99.08 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.46   0.73   0.89   0.99   0.99   1.05   1.19   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24
GDT RMS_ALL_AT   1.34   1.30   1.27   1.26   1.25   1.25   1.25   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24

# 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     1.445     0    0.033   0.033     1.515   81.548   81.548
LGA    P     2_A      P     2_A     0.890     0    0.017   0.206     1.403   88.214   85.306
LGA    I     3_A      I     3_A     0.575     0    0.070   0.918     2.852   90.476   79.940
LGA    I     4_A      I     4_A     0.662     0    0.040   0.868     2.430   90.476   86.131
LGA    E     5_A      E     5_A     0.614     0    0.038   0.976     4.885   95.238   75.608
LGA    N     6_A      N     6_A     0.334     0    0.014   0.074     0.595  100.000   98.810
LGA    C     7_A      C     7_A     0.343     0    0.018   0.046     0.378  100.000  100.000
LGA    A     8_A      A     8_A     0.439     0    0.051   0.057     0.439  100.000  100.000
LGA    A     9_A      A     9_A     0.312     0    0.048   0.045     0.509   97.619   98.095
LGA    F    10_A      F    10_A     0.176     0    0.013   0.049     0.360  100.000  100.000
LGA    I    11_A      I    11_A     0.131     0    0.016   0.078     0.451  100.000  100.000
LGA    E    12_A      E    12_A     0.509     0    0.016   0.058     0.987   92.857   91.534
LGA    K    13_A      K    13_A     0.798     0    0.109   1.302     6.541   86.071   66.931
LGA    T    14_A      T    14_A     1.045     0    0.084   0.205     1.417   88.214   85.306
LGA    M    15_A      M    15_A     0.621     0    0.056   0.277     0.720   92.857   92.857
LGA    S    16_A      S    16_A     1.073     0    0.088   0.150     1.636   88.214   83.095
LGA    K    17_A      K    17_A     0.541     0    0.023   1.029     4.206   92.857   84.021
LGA    Y    18_A      Y    18_A     0.540     0    0.049   0.090     0.985   95.238   92.063
LGA    A    19_A      A    19_A     0.441     0    0.059   0.074     0.510  100.000   98.095
LGA    I    20_A      I    20_A     0.674     0    0.013   0.044     0.947   90.476   90.476
LGA    T    21_A      T    21_A     0.645     0    0.032   0.068     1.113   90.476   87.891
LGA    L    22_A      L    22_A     0.676     0    0.045   0.051     1.077   90.476   89.345
LGA    S    23_A      S    23_A     0.490     0    0.062   0.122     0.785   92.857   92.063
LGA    D    24_A      D    24_A     0.565     0    0.101   0.189     1.538   95.238   89.524
LGA    G    25_A      G    25_A     0.626     0    0.015   0.015     0.626   90.476   90.476
LGA    T    26_A      T    26_A     0.667     0    0.020   0.072     0.997   90.476   90.476
LGA    I    27_A      I    27_A     0.714     0    0.026   0.091     0.956   90.476   90.476
LGA    L    28_A      L    28_A     0.691     0    0.023   0.048     0.743   90.476   90.476
LGA    K    29_A      K    29_A     0.604     0    0.028   0.540     2.638   90.476   83.810
LGA    S    30_A      S    30_A     0.875     0    0.038   0.102     1.058   90.476   88.968
LGA    T    31_A      T    31_A     0.834     0    0.060   0.097     1.064   90.476   89.184
LGA    I    32_A      I    32_A     0.540     0    0.061   0.125     0.915   90.476   94.048
LGA    K    33_A      K    33_A     0.843     0    0.089   0.707     5.877   92.857   71.799
LGA    N    34_A      N    34_A     1.242     0    0.053   0.253     2.866   81.548   73.214
LGA    E    35_A      E    35_A     1.543     0    0.011   0.818     3.274   72.976   69.630
LGA    T    36_A      T    36_A     1.803     0    0.070   0.086     2.236   70.833   71.701
LGA    L    37_A      L    37_A     1.932     0    0.045   1.386     3.217   68.810   69.048
LGA    K    38_A      K    38_A     2.499     0    0.030   0.801     7.751   59.167   40.053
LGA    K    39_A      K    39_A     2.849     0    0.097   0.189     3.246   55.357   55.556
LGA    T    40_A      T    40_A     1.965     0    0.122   1.155     2.430   70.833   70.544
LGA    F    41_A      F    41_A     2.546     0    0.053   0.721     3.667   59.048   52.121
LGA    P    42_A      P    42_A     3.837     0    0.015   0.280     5.525   48.333   40.476
LGA    I    43_A      I    43_A     2.645     0    0.014   0.060     3.844   65.000   57.619
LGA    L    44_A      L    44_A     0.825     0    0.044   0.369     1.536   85.952   84.881
LGA    K    45_A      K    45_A     2.179     0    0.019   1.078     5.123   70.833   53.915
LGA    N    46_A      N    46_A     1.951     0    0.008   0.863     6.005   75.119   54.048
LGA    L    47_A      L    47_A     0.649     0    0.025   0.063     2.343   92.857   81.905
LGA    L    48_A      L    48_A     1.581     0    0.058   0.102     2.342   75.238   73.036
LGA    K    49_A      K    49_A     2.382     0    0.040   0.731     6.865   64.881   48.201
LGA    D    50_A      D    50_A     1.364     0    0.043   0.269     5.173   79.286   59.583
LGA    Q    51_A      Q    51_A     4.438     0    0.317   0.843    11.125   44.167   22.275
LGA    I    52_A      I    52_A     1.621     0    0.146   1.116     2.600   81.667   75.357
LGA    P    53_A      P    53_A     0.483     0    0.038   0.071     1.108   97.619   94.626
LGA    T    54_A      T    54_A     0.317     0    0.008   0.037     0.583  100.000   98.639
LGA    G    55_A      G    55_A     0.758     0    0.063   0.063     0.797   90.476   90.476
LGA    S    56_A      S    56_A     0.652     0    0.065   0.703     2.630   92.857   86.508
LGA    S    57_A      S    57_A     0.719     0    0.098   0.138     0.914   90.476   90.476
LGA    F    58_A      F    58_A     0.627     0    0.052   0.123     1.129   92.857   88.874
LGA    F    59_A      F    59_A     0.587     0    0.076   0.102     0.767   92.857   91.342
LGA    K    60_A      K    60_A     0.660     0    0.039   0.677     3.517   90.476   82.222
LGA    L    61_A      L    61_A     0.396     0    0.024   0.176     1.168   92.976   90.595
LGA    P    62_A      P    62_A     0.426     0    0.131   0.140     0.671   95.238   95.918
LGA    V    63_A      V    63_A     0.256     0    0.049   0.116     0.971  100.000   98.639
LGA    V    64_A      V    64_A     0.382     0    0.011   0.126     0.669   97.619   97.279
LGA    F    65_A      F    65_A     0.456     0    0.013   0.073     0.887  100.000   93.939
LGA    F    66_A      F    66_A     0.411     0    0.044   0.084     0.453  100.000  100.000
LGA    R    67_A      R    67_A     0.282     0    0.013   0.481     1.990  100.000   93.377
LGA    V    68_A      V    68_A     0.396     0    0.063   1.195     2.565  100.000   87.483
LGA    T    69_A      T    69_A     0.500     0    0.014   0.076     0.540   97.619   95.918
LGA    D    70_A      D    70_A     0.862     0    0.057   0.296     2.028   88.214   85.000
LGA    N    71_A      N    71_A     0.856     0    0.154   1.187     4.513   90.476   76.667
LGA    V    72_A      V    72_A     0.686     0    0.019   0.034     0.773   90.476   90.476
LGA    I    73_A      I    73_A     0.620     0    0.009   0.604     1.536   92.857   89.464
LGA    V    74_A      V    74_A     0.490     0    0.017   0.056     0.787   95.238   93.197
LGA    I    75_A      I    75_A     0.400     0    0.016   0.082     0.412  100.000  100.000
LGA    L    76_A      L    76_A     0.441     0    0.045   0.053     0.527   97.619   98.810
LGA    L    77_A      L    77_A     0.258     0    0.090   0.108     0.433  100.000  100.000
LGA    T    78_A      T    78_A     0.494     0    0.015   0.046     1.002   92.976   93.265
LGA    N    79_A      N    79_A     1.458     0    0.039   1.129     5.865   81.429   61.071
LGA    E    80_A      E    80_A     0.855     0    0.023   0.555     2.544   85.952   77.090
LGA    K    81_A      K    81_A     0.809     0    0.040   0.951     6.104   90.476   71.852
LGA    E    82_A      E    82_A     0.564     0    0.036   0.183     0.691   92.857   91.534
LGA    N    83_A      N    83_A     0.545     0    0.016   0.365     1.263   95.238   91.726
LGA    I    84_A      I    84_A     0.228     0    0.037   0.678     3.415  100.000   90.179
LGA    I    85_A      I    85_A     0.147     0    0.011   0.028     0.396  100.000  100.000
LGA    L    86_A      L    86_A     0.410     0    0.073   0.086     0.699  100.000   98.810
LGA    S    87_A      S    87_A     0.460     0    0.012   0.047     0.584   97.619   96.825
LGA    M    88_A      M    88_A     0.373     0    0.017   0.119     0.630  100.000   98.810
LGA    F    89_A      F    89_A     0.407     0    0.031   0.101     0.802  100.000   95.671
LGA    E    90_A      E    90_A     0.499     0    0.028   0.545     2.790  100.000   90.000
LGA    L    91_A      L    91_A     0.415     0    0.029   1.413     3.627  100.000   83.155
LGA    F    92_A      F    92_A     0.162     0    0.011   0.120     0.292  100.000  100.000
LGA    S    93_A      S    93_A     0.231     0    0.059   0.080     0.455  100.000  100.000
LGA    T    94_A      T    94_A     0.082     0    0.039   0.104     0.270  100.000  100.000
LGA    Q    95_A      Q    95_A     0.084     0    0.030   0.977     3.595  100.000   87.672
LGA    F    96_A      F    96_A     0.182     0    0.033   0.068     0.329  100.000  100.000
LGA    A    97_A      A    97_A     0.262     0    0.030   0.032     0.418  100.000  100.000
LGA    E    98_A      E    98_A     0.355     0    0.036   0.736     3.660   97.619   82.751
LGA    K    99_A      K    99_A     0.437     0    0.037   0.225     0.708   97.619   95.767
LGA    L   100_A      L   100_A     0.411     0    0.021   0.049     0.666   95.238   97.619
LGA    A   101_A      A   101_A     0.777     0    0.015   0.027     1.010   88.214   88.667
LGA    L   102_A      L   102_A     0.897     0    0.032   0.059     1.166   88.214   89.345
LGA    E   103_A      E   103_A     0.909     0    0.016   0.754     2.007   88.214   85.608
LGA    Y   104_A      Y   104_A     0.932     0    0.048   0.060     1.012   88.214   89.722
LGA    P   105_A      P   105_A     1.253     0    0.017   0.038     1.416   81.429   81.429
LGA    R   106_A      R   106_A     1.497     0    0.126   1.256     8.814   75.119   50.173
LGA    T   107_A      T   107_A     1.194     0    0.043   0.084     1.582   79.405   82.857
LGA    Y   108_A      Y   108_A     2.403     0    0.471   1.172    10.476   62.857   35.714
LGA    E   109_A      E   109_A     5.051     0    0.658   1.120    12.805   23.690   12.169

# 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):     1.240          1.242                  2.088           88.682   83.678

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  109    4.0    108    1.19    92.202    96.137     8.362

LGA_LOCAL      RMSD:   1.192  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.242  Number of assigned atoms:  109 
Std_ASGN_ATOMS RMSD:   1.240  Standard rmsd on all 109 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.669615 * X  +  -0.344985 * Y  +  -0.657724 * Z  +  11.060498
  Y_new =  -0.609727 * X  +  -0.761006 * Y  +  -0.221592 * Z  +   7.689571
  Z_new =  -0.424086 * X  +   0.549413 * Y  +  -0.719928 * Z  +  12.913232 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.738620  0.437952  2.489728   [DEG:  -42.3198   25.0928  142.6509 ]
ZXZ: -1.245832  2.374495 -0.657363   [DEG:  -71.3809  136.0485  -37.6641 ]
 
# END of job
