
#######################################################
#                                                     #
#                        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  107 (  851),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  830),  selected  106 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106       2_B - 107_B       1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106       2_B - 107_B       1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       4_B - 103_B       0.98     1.84
  LCS_AVERAGE:     90.59

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     2_B     G     2_B     82  106  106      4   60   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V     3_B     V     3_B     82  106  106      4   31   75   92   97  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S     4_B     S     4_B    100  106  106      4   53   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     D     5_B     D     5_B    100  106  106     10   53   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V     6_B     V     6_B    100  106  106     59   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P     7_B     P     7_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     R     8_B     R     8_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     D     9_B     D     9_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     L    10_B     L    10_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     E    11_B     E    11_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    12_B     V    12_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    13_B     V    13_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     A    14_B     A    14_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     A    15_B     A    15_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    16_B     T    16_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    17_B     P    17_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    18_B     T    18_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    19_B     S    19_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     L    20_B     L    20_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     L    21_B     L    21_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    22_B     I    22_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    23_B     S    23_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     W    24_B     W    24_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     D    25_B     D    25_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     A    26_B     A    26_B    100  106  106     66   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    27_B     P    27_B    100  106  106      4   65   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    28_B     P    28_B    100  106  106      4    5   74   88   98  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    29_B     Y    29_B    100  106  106     16   76   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    30_B     Y    30_B    100  106  106     27   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    31_B     V    31_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     R    32_B     R    32_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    33_B     Y    33_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    34_B     Y    34_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     R    35_B     R    35_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    36_B     I    36_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    37_B     T    37_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    38_B     Y    38_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    39_B     G    39_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     E    40_B     E    40_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    41_B     T    41_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    42_B     G    42_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    43_B     G    43_B    100  106  106     65   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     N    44_B     N    44_B    100  106  106      7   74   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    45_B     S    45_B    100  106  106      7   82   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    46_B     P    46_B    100  106  106      6   21   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    47_B     V    47_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Q    48_B     Q    48_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     E    49_B     E    49_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     F    50_B     F    50_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    51_B     T    51_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    52_B     V    52_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    53_B     P    53_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    54_B     G    54_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    55_B     S    55_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     K    56_B     K    56_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    57_B     S    57_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    58_B     T    58_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     A    59_B     A    59_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    60_B     T    60_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    61_B     I    61_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    62_B     S    62_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    63_B     G    63_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     L    64_B     L    64_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     K    65_B     K    65_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    66_B     P    66_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     G    67_B     G    67_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    68_B     V    68_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     D    69_B     D    69_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    70_B     Y    70_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    71_B     T    71_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    72_B     I    72_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T    73_B     T    73_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     V    74_B     V    74_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    75_B     Y    75_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     A    76_B     A    76_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     E    77_B     E    77_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H    78_B     H    78_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    79_B     P    79_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    80_B     Y    80_B    100  106  106     37   83   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    81_B     Y    81_B    100  106  106      3   47   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     D    82_B     D    82_B    100  106  106      4   11   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    83_B     P    83_B    100  106  106      4   31   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    84_B     S    84_B    100  106  106      4    6   17   30   92  100  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    85_B     S    85_B    100  106  106      4   11   42   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    86_B     S    86_B    100  106  106      4   31   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    87_B     Y    87_B    100  106  106     54   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    88_B     Y    88_B    100  106  106     72   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     F    89_B     F    89_B    100  106  106     71   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    90_B     S    90_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    91_B     S    91_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     K    92_B     K    92_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P    93_B     P    93_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    94_B     I    94_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     S    95_B     S    95_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     I    96_B     I    96_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     N    97_B     N    97_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     Y    98_B     Y    98_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     R    99_B     R    99_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     T   100_B     T   100_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     P   101_B     P   101_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H   102_B     H   102_B    100  106  106     75   84   89   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H   103_B     H   103_B    100  106  106      3   67   87   93   99  101  102  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H   104_B     H   104_B      4  106  106      3    5    8   23   45   81   98  102  103  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H   105_B     H   105_B      4  106  106      3    5    6    6    6    7   11   15   19   29   52   99  106  106  106  106  106  106  106  106 
LCS_GDT     H   106_B     H   106_B      4  106  106      3    5    8   11   26   49   91   99  101  104  104  105  106  106  106  106  106  106  106  106 
LCS_GDT     H   107_B     H   107_B      3  106  106      3    3    3    3    3    4    7   50   94  100  104  105  106  106  106  106  106  106  106  106 
LCS_AVERAGE  LCS_A:  96.86  (  90.59  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     75     84     89     93     99    101    102    102    103    104    104    105    106    106    106    106    106    106    106    106 
GDT PERCENT_AT  70.75  79.25  83.96  87.74  93.40  95.28  96.23  96.23  97.17  98.11  98.11  99.06 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.25   0.36   0.52   0.65   0.89   0.99   1.05   1.05   1.16   1.36   1.36   1.54   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77
GDT RMS_ALL_AT   1.86   1.84   1.89   1.85   1.84   1.83   1.84   1.84   1.81   1.79   1.79   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  E    77_B      E    77_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  F    89_B      F    89_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     2.113     0    0.164   0.164     2.682   62.857   62.857
LGA    V     3_B      V     3_B     3.056     0    0.091   0.617     4.376   55.476   52.313
LGA    S     4_B      S     4_B     2.363     0    0.028   0.645     3.683   62.857   59.921
LGA    D     5_B      D     5_B     2.256     0    0.388   1.249     3.417   61.071   71.726
LGA    V     6_B      V     6_B     0.848     0    0.032   1.052     2.729   88.214   79.660
LGA    P     7_B      P     7_B     0.458     0    0.062   0.182     1.001   97.619   94.626
LGA    R     8_B      R     8_B     0.285     0    0.028   1.293     3.384  100.000   83.939
LGA    D     9_B      D     9_B     0.508     0    0.017   0.811     3.541   95.238   77.738
LGA    L    10_B      L    10_B     0.292     0    0.046   0.057     0.364  100.000  100.000
LGA    E    11_B      E    11_B     0.278     0    0.014   0.091     0.800  100.000   97.884
LGA    V    12_B      V    12_B     0.352     0    0.050   0.064     0.439  100.000  100.000
LGA    V    13_B      V    13_B     0.653     0    0.114   1.101     2.935   97.619   85.986
LGA    A    14_B      A    14_B     0.353     0    0.026   0.033     0.603   97.619   98.095
LGA    A    15_B      A    15_B     0.387     0    0.054   0.063     0.561   97.619   98.095
LGA    T    16_B      T    16_B     0.392     0    0.063   0.127     0.699   95.238   95.918
LGA    P    17_B      P    17_B     0.592     0    0.055   0.065     0.855   95.238   93.197
LGA    T    18_B      T    18_B     0.611     0    0.034   0.102     0.857   95.238   93.197
LGA    S    19_B      S    19_B     0.347     0    0.024   0.660     2.427  100.000   94.127
LGA    L    20_B      L    20_B     0.378     0    0.010   0.101     0.610  100.000   98.810
LGA    L    21_B      L    21_B     0.474     0    0.075   0.082     0.588  100.000   98.810
LGA    I    22_B      I    22_B     0.379     0    0.015   0.095     0.394  100.000  100.000
LGA    S    23_B      S    23_B     0.350     0    0.012   0.084     0.538  100.000   98.413
LGA    W    24_B      W    24_B     0.195     0    0.020   0.074     0.423  100.000  100.000
LGA    D    25_B      D    25_B     0.371     0    0.062   0.073     0.738  100.000   96.429
LGA    A    26_B      A    26_B     0.639     0    0.045   0.056     1.353   85.952   85.048
LGA    P    27_B      P    27_B     1.708     0    0.038   0.128     2.083   70.952   75.510
LGA    P    28_B      P    28_B     3.187     0    0.693   0.595     5.449   45.833   46.735
LGA    Y    29_B      Y    29_B     1.726     0    0.087   1.285     9.443   72.857   44.841
LGA    Y    30_B      Y    30_B     1.046     0    0.018   0.299     1.522   85.952   85.317
LGA    V    31_B      V    31_B     0.333     0    0.017   0.034     0.572   97.619   98.639
LGA    R    32_B      R    32_B     0.245     0    0.043   0.491     2.467  100.000   89.264
LGA    Y    33_B      Y    33_B     0.312     0    0.058   1.408     7.147  100.000   67.619
LGA    Y    34_B      Y    34_B     0.296     0    0.070   0.065     0.489  100.000  100.000
LGA    R    35_B      R    35_B     0.200     0    0.059   0.701     3.061  100.000   92.078
LGA    I    36_B      I    36_B     0.350     0    0.025   0.121     0.699  100.000   98.810
LGA    T    37_B      T    37_B     0.213     0    0.024   0.117     0.645  100.000   98.639
LGA    Y    38_B      Y    38_B     0.118     0    0.014   0.051     0.315  100.000  100.000
LGA    G    39_B      G    39_B     0.122     0    0.030   0.030     0.185  100.000  100.000
LGA    E    40_B      E    40_B     0.315     0    0.072   0.539     2.089   97.619   85.979
LGA    T    41_B      T    41_B     0.280     0    0.047   0.090     0.350  100.000  100.000
LGA    G    42_B      G    42_B     0.595     0    0.195   0.195     1.717   86.071   86.071
LGA    G    43_B      G    43_B     0.808     0    0.151   0.151     0.916   90.476   90.476
LGA    N    44_B      N    44_B     1.846     3    0.030   0.028     2.291   70.833   43.512
LGA    S    45_B      S    45_B     1.635     0    0.089   0.736     2.795   77.262   73.175
LGA    P    46_B      P    46_B     2.005     0    0.035   0.051     2.954   73.095   66.259
LGA    V    47_B      V    47_B     0.757     0    0.010   0.112     1.661   85.952   85.374
LGA    Q    48_B      Q    48_B     0.523     0    0.062   0.782     2.830   95.238   85.926
LGA    E    49_B      E    49_B     0.518     0    0.018   0.220     1.772   90.476   85.503
LGA    F    50_B      F    50_B     0.382     0    0.026   0.100     0.468  100.000  100.000
LGA    T    51_B      T    51_B     0.185     0    0.028   0.085     0.880  100.000   97.279
LGA    V    52_B      V    52_B     0.527     0    0.076   0.290     1.354   97.619   94.626
LGA    P    53_B      P    53_B     0.355     0    0.025   0.057     0.654  100.000   95.918
LGA    G    54_B      G    54_B     0.131     0    0.014   0.014     0.335  100.000  100.000
LGA    S    55_B      S    55_B     0.378     0    0.029   0.026     0.414  100.000  100.000
LGA    K    56_B      K    56_B     0.279     0    0.019   0.840     3.059  100.000   87.407
LGA    S    57_B      S    57_B     0.495     0    0.087   0.108     0.805  100.000   96.825
LGA    T    58_B      T    58_B     0.287     0    0.015   0.057     0.548  100.000   98.639
LGA    A    59_B      A    59_B     0.349     0    0.023   0.028     0.503   97.619   98.095
LGA    T    60_B      T    60_B     0.358     0    0.055   0.060     0.601  100.000   95.918
LGA    I    61_B      I    61_B     0.370     0    0.041   0.087     0.471  100.000  100.000
LGA    S    62_B      S    62_B     0.644     0    0.023   0.029     1.095   95.238   92.143
LGA    G    63_B      G    63_B     0.567     0    0.028   0.028     0.698   90.476   90.476
LGA    L    64_B      L    64_B     0.425     0    0.022   0.042     0.592   95.238   97.619
LGA    K    65_B      K    65_B     0.407     2    0.025   0.052     0.415  100.000   77.778
LGA    P    66_B      P    66_B     0.279     0    0.025   0.056     0.344  100.000  100.000
LGA    G    67_B      G    67_B     0.295     0    0.044   0.044     0.339  100.000  100.000
LGA    V    68_B      V    68_B     0.143     0    0.018   0.041     0.244  100.000  100.000
LGA    D    69_B      D    69_B     0.195     0    0.030   0.619     1.876  100.000   93.095
LGA    Y    70_B      Y    70_B     0.171     0    0.017   0.150     0.469  100.000  100.000
LGA    T    71_B      T    71_B     0.350     0    0.061   0.064     0.425  100.000  100.000
LGA    I    72_B      I    72_B     0.301     0    0.040   0.252     0.922  100.000   98.810
LGA    T    73_B      T    73_B     0.272     0    0.026   0.032     0.293  100.000  100.000
LGA    V    74_B      V    74_B     0.213     0    0.007   0.042     0.317  100.000  100.000
LGA    Y    75_B      Y    75_B     0.234     0    0.061   0.123     0.546  100.000   99.206
LGA    A    76_B      A    76_B     0.346     0    0.066   0.067     0.455  100.000  100.000
LGA    E    77_B      E    77_B     0.304     0    0.048   0.813     4.256  100.000   81.640
LGA    H    78_B      H    78_B     0.501     0    0.124   0.288     1.009   92.857   90.524
LGA    P    79_B      P    79_B     0.434     0    0.038   0.252     1.386   92.976   93.333
LGA    Y    80_B      Y    80_B     1.313     0    0.634   1.361     5.747   73.690   62.698
LGA    Y    81_B      Y    81_B     2.549     0    0.090   1.296    12.014   57.262   29.683
LGA    D    82_B      D    82_B     2.506     0    0.076   0.818     4.698   64.881   56.905
LGA    P    83_B      P    83_B     1.749     0    0.031   0.226     2.446   68.810   68.231
LGA    S    84_B      S    84_B     3.589     0    0.149   0.138     4.921   50.119   43.889
LGA    S    85_B      S    85_B     2.795     0    0.021   0.045     2.955   62.976   61.032
LGA    S    86_B      S    86_B     1.548     0    0.020   0.024     2.027   79.643   77.381
LGA    Y    87_B      Y    87_B     0.886     0    0.103   0.325     2.924   90.476   73.413
LGA    Y    88_B      Y    88_B     0.715     0    0.024   1.385     7.211   90.476   63.095
LGA    F    89_B      F    89_B     0.385     0    0.088   1.255     5.517  100.000   72.814
LGA    S    90_B      S    90_B     0.401     0    0.047   0.582     1.563   95.238   90.714
LGA    S    91_B      S    91_B     0.620     0    0.027   0.035     0.631   95.238   93.651
LGA    K    92_B      K    92_B     0.523     0    0.041   0.130     2.347   95.238   84.815
LGA    P    93_B      P    93_B     0.292     0    0.055   0.099     0.581  100.000   97.279
LGA    I    94_B      I    94_B     0.310     0    0.053   0.089     0.551  100.000   98.810
LGA    S    95_B      S    95_B     0.496     0    0.031   0.681     2.067  100.000   92.540
LGA    I    96_B      I    96_B     0.403     0    0.011   0.067     0.536  100.000   98.810
LGA    N    97_B      N    97_B     0.320     0    0.059   0.054     0.552  100.000   98.810
LGA    Y    98_B      Y    98_B     0.306     0    0.007   0.029     0.400  100.000  100.000
LGA    R    99_B      R    99_B     0.318     3    0.017   0.194     0.462  100.000   72.727
LGA    T   100_B      T   100_B     0.304     0    0.023   0.083     0.457  100.000  100.000
LGA    P   101_B      P   101_B     0.439     0    0.010   0.310     1.267   95.238   93.265
LGA    H   102_B      H   102_B     0.547     0    0.612   1.210     2.569   84.524   80.286
LGA    H   103_B      H   103_B     2.105     0    0.074   0.494     8.532   51.786   31.810
LGA    H   104_B      H   104_B     5.343     5    0.110   0.140     5.889   32.262   15.048
LGA    H   105_B      H   105_B     9.744     0    0.620   1.275    17.127    3.214    1.286
LGA    H   106_B      H   106_B     7.547     0    0.046   0.957     8.314    5.952    8.714
LGA    H   107_B      H   107_B     8.051     0    0.027   0.992     9.900    4.405    5.095

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     830    830  100.00               106
SUMMARY(RMSD_GDC):     1.767          1.769                  2.542           88.600   83.667

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0    102    1.05    90.802    94.840     8.893

LGA_LOCAL      RMSD:   1.047  Number of atoms:  102  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.835  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   1.767  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.373695 * X  +  -0.735532 * Y  +   0.565106 * Z  +  16.655050
  Y_new =   0.580155 * X  +   0.290015 * Y  +   0.761125 * Z  +  16.065023
  Z_new =  -0.723721 * X  +   0.612277 * Y  +   0.318345 * Z  +  53.427986 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.143034  0.809180  1.091327   [DEG:  122.7868   46.3626   62.5284 ]
ZXZ:  2.502934  1.246813 -0.868622   [DEG:  143.4076   71.4371  -49.7684 ]
 
# END of job
