
#######################################################
#                                                     #
#                        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       3.02     3.02
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       2_B - 83_B        1.83     3.08
  LCS_AVERAGE:     63.59

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       4_B - 81_B        0.98     3.12
  LCS_AVERAGE:     57.54

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      8   82  106      4   10   17   58   84   92   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     V     3_B     V     3_B     76   82  106      4    9   40   75   87   93   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     S     4_B     S     4_B     78   82  106      6   53   80   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     D     5_B     D     5_B     78   82  106      5   57   80   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     V     6_B     V     6_B     78   82  106     53   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     P     7_B     P     7_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     R     8_B     R     8_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     D     9_B     D     9_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     L    10_B     L    10_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     E    11_B     E    11_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     V    12_B     V    12_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     V    13_B     V    13_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     A    14_B     A    14_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     A    15_B     A    15_B     78   82  106     57   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     T    16_B     T    16_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     P    17_B     P    17_B     78   82  106     54   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     T    18_B     T    18_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     S    19_B     S    19_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     L    20_B     L    20_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     L    21_B     L    21_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     I    22_B     I    22_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     S    23_B     S    23_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     W    24_B     W    24_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     D    25_B     D    25_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     A    26_B     A    26_B     78   82  106     52   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     P    27_B     P    27_B     78   82  106      6   66   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     P    28_B     P    28_B     78   82  106      3    8   73   88   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     78   82  106      4   52   77   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    30_B     Y    30_B     78   82  106      4   36   80   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     V    31_B     V    31_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     R    32_B     R    32_B     78   82  106     50   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    33_B     Y    33_B     78   82  106     50   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    34_B     Y    34_B     78   82  106     54   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     R    35_B     R    35_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     I    36_B     I    36_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     T    37_B     T    37_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    38_B     Y    38_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     G    39_B     G    39_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     E    40_B     E    40_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     T    41_B     T    41_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     G    42_B     G    42_B     78   82  106     21   76   80   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     G    43_B     G    43_B     78   82  106      4   63   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     N    44_B     N    44_B     78   82  106      5   54   77   87   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     S    45_B     S    45_B     78   82  106      5   43   78   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     P    46_B     P    46_B     78   82  106      6   54   77   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     V    47_B     V    47_B     78   82  106     56   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Q    48_B     Q    48_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     E    49_B     E    49_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     F    50_B     F    50_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     T    51_B     T    51_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     V    52_B     V    52_B     78   82  106     55   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     P    53_B     P    53_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     G    54_B     G    54_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     S    55_B     S    55_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     K    56_B     K    56_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     S    57_B     S    57_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     T    58_B     T    58_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     A    59_B     A    59_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     T    60_B     T    60_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     I    61_B     I    61_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     S    62_B     S    62_B     78   82  106     57   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     G    63_B     G    63_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     L    64_B     L    64_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     K    65_B     K    65_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     P    66_B     P    66_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     G    67_B     G    67_B     78   82  106     47   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     V    68_B     V    68_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     D    69_B     D    69_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    70_B     Y    70_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     T    71_B     T    71_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     I    72_B     I    72_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     T    73_B     T    73_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     V    74_B     V    74_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    75_B     Y    75_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     A    76_B     A    76_B     78   82  106     25   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     E    77_B     E    77_B     78   82  106     25   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     H    78_B     H    78_B     78   82  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     P    79_B     P    79_B     78   82  106      3   54   76   87   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    80_B     Y    80_B     78   82  106     10   64   80   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    81_B     Y    81_B     78   82  106      3   64   78   85   92   94   95   96   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     D    82_B     D    82_B      3   82  106      3    4    7   17   42   86   93   96   97   98   99  100  102  102  102  103  104  105  105  105 
LCS_GDT     P    83_B     P    83_B      3   82  106      3    4    6    7    8   10   11   13   19   36   48   66   95  101  102  103  104  105  105  105 
LCS_GDT     S    84_B     S    84_B      3    8  106      3    3    6    7    8   10   11   14   18   24   40   51   63   74   90  101  102  103  103  104 
LCS_GDT     S    85_B     S    85_B      3    8  106      3    3    3    6    8   10   12   23   41   55   72   91   96  101  102  103  104  105  105  105 
LCS_GDT     S    86_B     S    86_B      3    8  106      0    4    6    7    9   12   25   32   54   69   90   95   98  101  102  103  104  105  105  105 
LCS_GDT     Y    87_B     Y    87_B      5   18  106      3    5    9   34   67   87   93   96   97   98  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    88_B     Y    88_B      5   18  106      3    4    7   25   61   85   92   96   97   98  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     F    89_B     F    89_B     15   19  106      7   59   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     S    90_B     S    90_B     15   19  106      3   40   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     S    91_B     S    91_B     15   19  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     K    92_B     K    92_B     15   19  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     P    93_B     P    93_B     15   19  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     I    94_B     I    94_B     15   19  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     S    95_B     S    95_B     15   19  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     I    96_B     I    96_B     15   19  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     N    97_B     N    97_B     15   19  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     Y    98_B     Y    98_B     15   19  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     R    99_B     R    99_B     15   19  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     T   100_B     T   100_B     15   19  106     51   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     P   101_B     P   101_B     15   19  106     49   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     H   102_B     H   102_B     15   19  106     58   76   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     H   103_B     H   103_B     15   19  106     10   68   81   89   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     H   104_B     H   104_B     15   19  106      4   22   51   86   92   94   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     H   105_B     H   105_B     14   19  106      3   14   22   36   59   91   95   97   98   99  100  100  102  102  102  103  104  105  105  105 
LCS_GDT     H   106_B     H   106_B     13   19  106      3    9   16   32   65   76   91   97   98   99  100  100  102  102  102  102  104  105  105  105 
LCS_GDT     H   107_B     H   107_B      5   19  106      3    3    5   10   22   34   69   95   96   99   99  100  102  102  102  102  103  105  105  105 
LCS_AVERAGE  LCS_A:  73.71  (  57.54   63.59  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     58     76     81     89     92     94     95     97     98     99    100    100    102    102    102    103    104    105    105    105 
GDT PERCENT_AT  54.72  71.70  76.42  83.96  86.79  88.68  89.62  91.51  92.45  93.40  94.34  94.34  96.23  96.23  96.23  97.17  98.11  99.06  99.06  99.06
GDT RMS_LOCAL    0.28   0.43   0.58   0.82   0.93   1.03   1.10   1.38   1.42   1.56   1.66   1.66   1.89   1.89   1.89   2.52   2.61   2.71   2.71   2.71
GDT RMS_ALL_AT   3.09   3.08   3.09   3.13   3.11   3.13   3.14   3.24   3.21   3.25   3.14   3.14   3.14   3.14   3.14   3.04   3.03   3.03   3.03   3.03

# Checking swapping
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  Y    98_B      Y    98_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     2_B      G     2_B     4.384     0    0.519   0.519     4.384   49.286   49.286
LGA    V     3_B      V     3_B     3.405     0    0.153   0.312     4.878   54.167   50.884
LGA    S     4_B      S     4_B     1.885     0    0.086   0.791     4.540   70.833   63.254
LGA    D     5_B      D     5_B     1.615     0    0.239   0.444     3.494   72.976   65.119
LGA    V     6_B      V     6_B     0.606     0    0.060   1.082     2.439   90.476   83.129
LGA    P     7_B      P     7_B     0.616     0    0.045   0.197     0.708   90.476   90.476
LGA    R     8_B      R     8_B     0.605     0    0.054   1.363     7.136   95.238   66.623
LGA    D     9_B      D     9_B     0.582     0    0.070   1.176     3.596   97.619   85.893
LGA    L    10_B      L    10_B     0.398     0    0.030   0.086     0.779   97.619   95.238
LGA    E    11_B      E    11_B     0.471     0    0.042   0.520     1.476  100.000   95.873
LGA    V    12_B      V    12_B     0.590     0    0.024   0.096     0.905   90.476   90.476
LGA    V    13_B      V    13_B     0.509     0    0.036   1.095     2.409   90.476   84.490
LGA    A    14_B      A    14_B     0.887     0    0.058   0.068     0.997   90.476   90.476
LGA    A    15_B      A    15_B     1.173     0    0.000   0.024     1.238   81.429   81.429
LGA    T    16_B      T    16_B     1.024     0    0.066   1.107     2.734   85.952   78.163
LGA    P    17_B      P    17_B     0.704     0    0.051   0.098     0.833   90.476   93.197
LGA    T    18_B      T    18_B     0.571     0    0.179   0.212     0.870   95.238   93.197
LGA    S    19_B      S    19_B     0.653     0    0.050   0.661     1.527   90.476   86.032
LGA    L    20_B      L    20_B     0.587     0    0.079   0.178     1.135   90.476   89.345
LGA    L    21_B      L    21_B     0.526     0    0.022   0.091     1.179   92.857   90.536
LGA    I    22_B      I    22_B     0.464     0    0.043   0.139     0.681   95.238   96.429
LGA    S    23_B      S    23_B     0.397     0    0.025   0.057     0.464  100.000  100.000
LGA    W    24_B      W    24_B     0.256     0    0.041   0.095     0.452  100.000  100.000
LGA    D    25_B      D    25_B     0.544     0    0.045   0.119     0.620   92.857   91.667
LGA    A    26_B      A    26_B     0.583     0    0.100   0.130     1.197   88.214   88.667
LGA    P    27_B      P    27_B     1.412     0    0.038   0.205     1.899   77.143   77.755
LGA    P    28_B      P    28_B     2.740     0    0.692   0.785     5.262   49.524   49.796
LGA    Y    29_B      Y    29_B     2.144     0    0.100   0.140     3.237   68.810   62.381
LGA    Y    30_B      Y    30_B     1.843     0    0.063   1.215     6.583   75.000   57.659
LGA    V    31_B      V    31_B     1.059     0    0.109   1.024     3.040   83.690   78.231
LGA    R    32_B      R    32_B     1.825     0    0.073   1.924     8.230   72.857   50.087
LGA    Y    33_B      Y    33_B     1.367     0    0.103   1.385     9.187   79.286   49.008
LGA    Y    34_B      Y    34_B     1.071     0    0.056   0.066     1.300   81.429   85.952
LGA    R    35_B      R    35_B     0.840     0    0.030   1.035     4.362   92.857   84.069
LGA    I    36_B      I    36_B     0.642     0    0.032   0.341     0.931   92.857   91.667
LGA    T    37_B      T    37_B     0.164     0    0.024   0.122     0.639  100.000   98.639
LGA    Y    38_B      Y    38_B     0.129     0    0.025   0.092     0.439  100.000  100.000
LGA    G    39_B      G    39_B     0.093     0    0.043   0.043     0.133  100.000  100.000
LGA    E    40_B      E    40_B     0.354     0    0.035   0.807     2.258   97.619   87.831
LGA    T    41_B      T    41_B     0.468     0    0.089   1.102     2.372   92.976   85.918
LGA    G    42_B      G    42_B     1.579     0    0.109   0.109     1.579   81.548   81.548
LGA    G    43_B      G    43_B     1.451     0    0.304   0.304     3.048   75.833   75.833
LGA    N    44_B      N    44_B     2.572     3    0.131   0.124     4.104   59.762   34.524
LGA    S    45_B      S    45_B     1.955     0    0.093   0.545     3.111   77.262   71.984
LGA    P    46_B      P    46_B     2.020     0    0.059   0.101     2.869   73.095   66.259
LGA    V    47_B      V    47_B     0.539     0    0.042   0.121     1.677   90.595   88.027
LGA    Q    48_B      Q    48_B     0.149     0    0.023   0.921     2.621  100.000   88.095
LGA    E    49_B      E    49_B     0.393     0    0.030   0.192     0.940   97.619   95.767
LGA    F    50_B      F    50_B     0.544     0    0.036   0.121     1.018   92.857   90.519
LGA    T    51_B      T    51_B     0.985     0    0.037   0.168     1.113   85.952   86.599
LGA    V    52_B      V    52_B     1.285     0    0.045   1.303     3.945   81.429   72.517
LGA    P    53_B      P    53_B     1.188     0    0.057   0.115     1.510   81.429   80.204
LGA    G    54_B      G    54_B     1.033     0    0.078   0.078     1.064   85.952   85.952
LGA    S    55_B      S    55_B     0.856     0    0.043   0.063     0.914   90.476   90.476
LGA    K    56_B      K    56_B     0.846     0    0.042   1.052     5.421   88.214   74.974
LGA    S    57_B      S    57_B     0.526     0    0.096   0.106     0.898   90.476   92.063
LGA    T    58_B      T    58_B     0.572     0    0.029   0.064     0.647   92.857   93.197
LGA    A    59_B      A    59_B     0.432     0    0.029   0.047     0.485  100.000  100.000
LGA    T    60_B      T    60_B     0.577     0    0.029   0.089     0.864   92.857   91.837
LGA    I    61_B      I    61_B     0.453     0    0.050   0.086     0.637  100.000   96.429
LGA    S    62_B      S    62_B     0.033     0    0.049   0.670     1.693   97.619   92.302
LGA    G    63_B      G    63_B     0.268     0    0.081   0.081     0.300  100.000  100.000
LGA    L    64_B      L    64_B     0.359     0    0.031   0.077     0.447  100.000  100.000
LGA    K    65_B      K    65_B     0.558     2    0.054   0.093     0.627   92.857   71.429
LGA    P    66_B      P    66_B     0.731     0    0.076   0.155     1.395   90.476   86.599
LGA    G    67_B      G    67_B     0.909     0    0.126   0.126     0.909   90.476   90.476
LGA    V    68_B      V    68_B     0.493     0    0.041   0.985     2.127   97.619   87.211
LGA    D    69_B      D    69_B     0.449     0    0.038   0.480     1.391  100.000   94.167
LGA    Y    70_B      Y    70_B     0.318     0    0.027   0.041     0.490  100.000  100.000
LGA    T    71_B      T    71_B     0.269     0    0.028   0.117     0.466  100.000  100.000
LGA    I    72_B      I    72_B     0.204     0    0.020   0.326     1.563  100.000   95.417
LGA    T    73_B      T    73_B     0.241     0    0.042   1.023     2.275  100.000   89.728
LGA    V    74_B      V    74_B     0.275     0    0.033   0.094     0.392  100.000  100.000
LGA    Y    75_B      Y    75_B     0.655     0    0.085   0.178     0.865   92.857   93.651
LGA    A    76_B      A    76_B     1.185     0    0.062   0.066     1.362   81.429   81.429
LGA    E    77_B      E    77_B     1.663     0    0.075   0.864     6.195   79.286   60.053
LGA    H    78_B      H    78_B     1.019     0    0.097   1.004     2.375   77.143   75.667
LGA    P    79_B      P    79_B     2.594     0    0.101   0.310     4.330   62.976   52.789
LGA    Y    80_B      Y    80_B     1.044     0    0.626   1.326     9.062   77.619   40.040
LGA    Y    81_B      Y    81_B     3.711     0    0.563   0.719    11.837   42.738   20.714
LGA    D    82_B      D    82_B     7.066     0    0.262   1.093    12.232    9.286    5.238
LGA    P    83_B      P    83_B    11.889     0    0.033   0.208    14.540    0.000    0.068
LGA    S    84_B      S    84_B    15.900     0    0.617   0.911    17.643    0.000    0.000
LGA    S    85_B      S    85_B    13.678     0    0.547   0.729    14.699    0.000    0.000
LGA    S    86_B      S    86_B    12.574     0    0.701   0.840    14.090    0.000    0.000
LGA    Y    87_B      Y    87_B     6.504     0    0.253   1.143     8.595    9.167   37.103
LGA    Y    88_B      Y    88_B     6.449     0    0.119   1.380    18.529   24.286    8.333
LGA    F    89_B      F    89_B     1.793     0    0.087   1.316     7.888   51.190   38.052
LGA    S    90_B      S    90_B     1.971     0    0.092   0.145     4.275   72.976   63.175
LGA    S    91_B      S    91_B     0.761     0    0.072   0.697     2.881   92.976   86.587
LGA    K    92_B      K    92_B     0.345     0    0.041   0.692     2.765   97.619   80.741
LGA    P    93_B      P    93_B     0.492     0    0.029   0.202     0.492  100.000  100.000
LGA    I    94_B      I    94_B     0.376     0    0.000   0.485     1.156  100.000   95.298
LGA    S    95_B      S    95_B     0.288     0    0.020   0.064     0.693  100.000   98.413
LGA    I    96_B      I    96_B     0.323     0    0.025   0.527     1.562  100.000   96.607
LGA    N    97_B      N    97_B     0.552     0    0.013   0.337     1.200   90.476   89.345
LGA    Y    98_B      Y    98_B     0.689     0    0.040   0.096     1.428   95.238   86.786
LGA    R    99_B      R    99_B     0.425     3    0.048   0.575     1.416   97.619   67.619
LGA    T   100_B      T   100_B     0.551     0    0.025   0.148     0.688   92.857   94.558
LGA    P   101_B      P   101_B     0.601     0    0.073   0.137     0.829   90.476   91.837
LGA    H   102_B      H   102_B     1.179     0    0.026   1.091     7.895   85.952   50.619
LGA    H   103_B      H   103_B     0.965     0    0.074   1.214     2.883   79.643   75.857
LGA    H   104_B      H   104_B     2.542     5    0.151   0.197     3.052   62.976   30.190
LGA    H   105_B      H   105_B     4.662     0    0.554   1.218    10.916   34.286   17.048
LGA    H   106_B      H   106_B     5.436     0    0.237   0.764     7.331   19.881   22.238
LGA    H   107_B      H   107_B     6.569     0    0.625   0.914     9.112   16.310   10.238

# 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):     3.022          2.995                  3.604           80.207   74.465

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107  106    4.0     97    1.38    86.085    81.716     6.533

LGA_LOCAL      RMSD:   1.385  Number of atoms:   97  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.245  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.022  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.435233 * X  +  -0.485889 * Y  +   0.757947 * Z  + -85.327484
  Y_new =   0.259040 * X  +   0.738685 * Y  +   0.622289 * Z  +  20.434496
  Z_new =  -0.862247 * X  +   0.467180 * Y  +  -0.195635 * Z  + 119.027092 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.604728  1.039690  1.967368   [DEG:  149.2399   59.5698  112.7219 ]
ZXZ:  2.258223  1.767702 -1.074258   [DEG:  129.3866  101.2818  -61.5504 ]
 
# END of job
