
#######################################################
#                                                     #
#                        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  111 (  795),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  764),  selected  105 , 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:   105       7_B - 111_B       2.00     2.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       7_B - 111_B       2.00     2.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      10_B - 86_B        0.99     2.07
  LONGEST_CONTINUOUS_SEGMENT:    77      11_B - 87_B        1.00     2.08
  LCS_AVERAGE:     58.96

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     E     7_B     E     7_B      9  105  105      6    6   15   28   41   78   89   98  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B     15  105  105      6   10   30   60   85   95   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B     44  105  105      8   23   62   88   94   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B     77  105  105      6   23   56   88   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B     77  105  105     14   68   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B     77  105  105      8   69   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B     77  105  105      8   69   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B     77  105  105     36   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     77  105  105      3   14   69   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     77  105  105     10   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     77  105  105     10   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     77  105  105     40   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     77  105  105      4   57   83   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     77  105  105      5   34   83   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     77  105  105     38   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     77  105  105     40   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     77  105  105     43   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     77  105  105     36   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     77  105  105     16   64   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     77  105  105     16   52   80   90   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     77  105  105     16   23   80   90   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     77  105  105     16   24   80   90   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     77  105  105     16   64   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     77  105  105     35   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     77  105  105     39   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     77  105  105     39   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     77  105  105     37   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     77  105  105     39   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B     77  105  105      4   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B     77  105  105      8   67   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B     77  105  105     33   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B     77  105  105     16   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B     77  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B     77  105  105     40   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B     77  105  105     39   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B     77  105  105     36   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B     77  105  105     20   66   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B     77  105  105     16   64   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B     77  105  105     35   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B     77  105  105     22   64   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B     77  105  105     32   69   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B     77  105  105     32   68   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B     77  105  105     13   53   83   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B     77  105  105      5   16   50   79   93   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B     47  105  105      5    9   14   57   88   95   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      4  105  105      3    3    4    4    6   50   75   92   98  101  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      4  105  105      3    3    4    4    5    5    6   26   49   70   93   97  101  104  105  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      4  105  105      3    3    4    5   15   33   51   83   94   98  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     19  105  105     20   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     19  105  105     29   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     19  105  105     29   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     19  105  105     35   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     19  105  105     27   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     19  105  105     20   66   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     19  105  105     36   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     19  105  105     42   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     19  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     19  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     19  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     19  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     19  105  105     31   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     19  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     19  105  105     44   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     19  105  105     20   70   84   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     19  105  105      3   21   61   89   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B     19  105  105      3   16   75   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B     19  105  105      3   52   83   91   95   98   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      6  105  105      3    3    6   63   90   95   99  101  102  102  103  104  104  104  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  86.32  (  58.96  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     44     70     84     91     95     98     99    101    102    102    103    104    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  41.90  66.67  80.00  86.67  90.48  93.33  94.29  96.19  97.14  97.14  98.10  99.05  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.52   0.73   0.91   1.01   1.16   1.22   1.37   1.51   1.51   1.63   1.76   1.76   1.76   2.00   2.00   2.00   2.00   2.00   2.00
GDT RMS_ALL_AT   2.13   2.13   2.11   2.05   2.08   2.05   2.04   2.02   2.02   2.02   2.01   2.00   2.00   2.00   2.00   2.00   2.00   2.00   2.00   2.00

# Checking swapping
#   possible swapping detected:  F    33_B      F    33_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  Y    69_B      Y    69_B
#   possible swapping detected:  Y    78_B      Y    78_B
#   possible swapping detected:  E    84_B      E    84_B
#   possible swapping detected:  E    96_B      E    96_B
#   possible swapping detected:  Y   100_B      Y   100_B
#   possible swapping detected:  Y   101_B      Y   101_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     6.726     0    0.058   1.366    11.837   19.048    9.947
LGA    P     8_B      P     8_B     4.533     0    0.082   0.324     6.326   32.976   28.095
LGA    K     9_B      K     9_B     3.125     0    0.027   0.849     3.421   55.476   56.455
LGA    V    10_B      V    10_B     2.891     0    0.015   0.079     4.745   57.262   49.592
LGA    Y    11_B      Y    11_B     1.059     0    0.059   0.233     1.591   79.286   83.016
LGA    A    12_B      A    12_B     1.025     0    0.021   0.026     1.067   83.690   85.048
LGA    P    13_B      P    13_B     1.028     0    0.060   0.358     1.356   85.952   84.014
LGA    V    14_B      V    14_B     0.386     0    0.092   1.059     2.813   97.619   87.279
LGA    T    15_B      T    15_B     0.190     0    0.048   0.079     0.560   97.619   98.639
LGA    T    16_B      T    16_B     0.191     0    0.021   0.072     0.457  100.000  100.000
LGA    G    17_B      G    17_B     0.555     0    0.052   0.052     0.555   97.619   97.619
LGA    A    18_B      A    18_B     0.440     0    0.022   0.023     0.758   97.619   96.190
LGA    D    19_B      D    19_B     0.654     0    0.097   0.168     1.457   97.619   92.917
LGA    G    20_B      G    20_B     0.374     0    0.019   0.019     0.492  100.000  100.000
LGA    K    21_B      K    21_B     0.547     0    0.062   0.864     2.766   92.857   87.090
LGA    L    22_B      L    22_B     0.489     0    0.101   1.027     4.525   90.595   78.810
LGA    S    23_B      S    23_B     2.149     0    0.257   0.258     4.324   70.833   60.635
LGA    L    24_B      L    24_B     1.001     0    0.025   0.075     1.407   83.690   83.690
LGA    S    25_B      S    25_B     0.932     0    0.288   0.753     4.015   90.595   78.730
LGA    V    26_B      V    26_B     0.567     0    0.049   0.083     1.483   88.214   86.599
LGA    G    27_B      G    27_B     1.744     0    0.053   0.053     1.893   75.000   75.000
LGA    G    28_B      G    28_B     1.895     0    0.019   0.019     1.895   77.143   77.143
LGA    Y    29_B      Y    29_B     0.504     0    0.480   0.784     2.812   79.881   83.254
LGA    K    30_B      K    30_B     0.833     0    0.016   0.280     4.674   92.857   72.857
LGA    K    31_B      K    31_B     0.252     0    0.083   0.366     1.099  100.000   95.820
LGA    T    32_B      T    32_B     0.377     0    0.048   1.071     2.908  100.000   86.395
LGA    F    33_B      F    33_B     0.319     0    0.023   0.170     1.442  100.000   91.515
LGA    T    34_B      T    34_B     0.240     0    0.020   0.074     0.525  100.000   98.639
LGA    K    35_B      K    35_B     0.184     0    0.032   0.508     1.059  100.000   95.820
LGA    V    36_B      V    36_B     0.530     0    0.038   0.040     0.605   92.857   91.837
LGA    D    37_B      D    37_B     0.697     0    0.020   0.382     1.334   90.476   90.536
LGA    A    38_B      A    38_B     0.784     0    0.024   0.030     0.923   90.476   90.476
LGA    A    39_B      A    39_B     1.012     0    0.094   0.092     1.228   83.690   85.048
LGA    T    40_B      T    40_B     1.081     0    0.008   0.078     1.091   85.952   85.306
LGA    K    41_B      K    41_B     0.735     0    0.114   1.394     7.125   88.214   69.471
LGA    A    42_B      A    42_B     0.706     0    0.017   0.026     0.996   90.476   90.476
LGA    P    43_B      P    43_B     0.474     0    0.011   0.342     1.477   95.238   93.265
LGA    L    44_B      L    44_B     0.417     0    0.140   0.176     0.771   97.619   95.238
LGA    A    45_B      A    45_B     0.287     0    0.040   0.055     0.343  100.000  100.000
LGA    G    46_B      G    46_B     0.520     0    0.063   0.063     0.520   97.619   97.619
LGA    A    47_B      A    47_B     0.378     0    0.069   0.081     0.639   97.619   98.095
LGA    V    48_B      V    48_B     0.370     0    0.012   0.051     0.610  100.000   98.639
LGA    F    49_B      F    49_B     0.420     0    0.048   0.129     0.812  100.000   94.805
LGA    Q    50_B      Q    50_B     0.416     0    0.033   0.405     1.178  100.000   91.693
LGA    V    51_B      V    51_B     0.526     0    0.019   1.193     2.718   97.619   86.122
LGA    V    52_B      V    52_B     0.544     0    0.145   1.088     3.252   92.857   83.469
LGA    E    53_B      E    53_B     1.866     0    0.066   0.921     3.680   70.952   62.593
LGA    K    54_B      K    54_B     2.416     0    0.048   0.767     5.809   60.952   50.159
LGA    D    55_B      D    55_B     2.670     0    0.086   0.113     2.849   57.143   57.143
LGA    G    56_B      G    56_B     2.635     0    0.302   0.302     3.457   55.357   55.357
LGA    D    57_B      D    57_B     1.838     0    0.113   0.720     2.696   70.833   67.857
LGA    I    58_B      I    58_B     1.208     0    0.057   0.630     3.322   79.286   76.429
LGA    T    59_B      T    59_B     0.734     0    0.066   1.073     2.557   92.857   82.313
LGA    L    60_B      L    60_B     0.607     0    0.018   0.121     0.851   95.238   92.857
LGA    Y    61_B      Y    61_B     0.313     0    0.072   0.193     1.300  100.000   91.429
LGA    E    62_B      E    62_B     0.141     0    0.029   0.213     0.598  100.000   98.942
LGA    L    63_B      L    63_B     0.305     0    0.047   1.147     2.366  100.000   90.000
LGA    S    64_B      S    64_B     0.421     0    0.023   0.041     0.614   97.619   96.825
LGA    S    65_B      S    65_B     0.569     0    0.018   0.713     2.371   92.857   89.365
LGA    P    66_B      P    66_B     0.803     0    0.044   0.062     0.915   92.857   91.837
LGA    A    67_B      A    67_B     0.841     0    0.018   0.022     1.057   90.476   88.667
LGA    G    68_B      G    68_B     0.287     0    0.033   0.033     0.452  100.000  100.000
LGA    Y    69_B      Y    69_B     0.489     0    0.051   0.117     0.731  100.000   93.651
LGA    V    70_B      V    70_B     0.432     0    0.028   0.044     0.585   95.238   95.918
LGA    P    71_B      P    71_B     0.973     0    0.113   0.370     1.397   90.476   86.599
LGA    V    72_B      V    72_B     1.074     0    0.071   0.295     1.572   81.429   81.497
LGA    T    73_B      T    73_B     0.536     0    0.016   0.935     2.707   92.857   84.558
LGA    N    74_B      N    74_B     0.714     0    0.055   0.826     2.208   90.595   82.857
LGA    K    75_B      K    75_B     1.209     0    0.077   0.984     7.189   88.214   60.635
LGA    P    76_B      P    76_B     0.802     0    0.025   0.085     1.306   88.214   85.306
LGA    I    77_B      I    77_B     0.351     0    0.157   1.509     3.360   95.238   81.607
LGA    Y    78_B      Y    78_B     0.415     0    0.054   0.168     1.041   95.238   92.897
LGA    N    79_B      N    79_B     0.747     0    0.035   0.165     1.457   90.595   87.143
LGA    I    80_B      I    80_B     1.342     0    0.027   0.609     2.212   77.143   77.202
LGA    S    81_B      S    81_B     1.782     0    0.034   0.524     2.056   77.143   74.365
LGA    T    82_B      T    82_B     0.885     0    0.061   0.064     1.167   88.214   90.544
LGA    G    83_B      G    83_B     1.284     0    0.148   0.148     1.869   79.286   79.286
LGA    E    84_B      E    84_B     1.108     0    0.035   0.678     2.628   83.690   75.979
LGA    A    85_B      A    85_B     1.013     0    0.017   0.021     1.282   83.690   85.048
LGA    F    86_B      F    86_B     1.703     0    0.041   0.217     2.427   70.952   81.775
LGA    D    87_B      D    87_B     3.371     0    0.623   1.298     6.381   50.119   39.821
LGA    S    88_B      S    88_B     3.833     0    0.653   0.678     5.945   45.000   38.810
LGA    A    89_B      A    89_B     6.510     0    0.152   0.163     8.572   11.667    9.905
LGA    A    90_B      A    90_B    10.229     0    0.063   0.085    12.408    1.548    1.238
LGA    A    91_B      A    91_B     7.034     0    0.652   0.589     8.493   17.143   14.667
LGA    S    92_B      S    92_B     1.580     0    0.682   0.624     2.963   73.214   71.746
LGA    V    93_B      V    93_B     1.210     0    0.006   0.096     1.967   79.286   77.755
LGA    V    94_B      V    94_B     1.205     0    0.028   1.091     3.484   83.690   77.007
LGA    K    95_B      K    95_B     1.162     0    0.008   0.171     1.468   81.429   87.566
LGA    E    96_B      E    96_B     1.246     0    0.435   0.439     3.226   75.357   67.937
LGA    D    97_B      D    97_B     1.515     0    0.197   0.175     2.053   77.143   72.976
LGA    G    98_B      G    98_B     0.906     0    0.033   0.033     1.118   90.595   90.595
LGA    Q    99_B      Q    99_B     0.575     0    0.048   0.292     2.172   92.857   83.704
LGA    Y   100_B      Y   100_B     0.437     0    0.051   0.077     1.127  100.000   91.389
LGA    Y   101_B      Y   101_B     0.391     0    0.027   0.062     1.145   95.238   91.310
LGA    I   102_B      I   102_B     0.673     0    0.058   0.122     1.184   90.476   89.345
LGA    T   103_B      T   103_B     0.604     0    0.050   0.071     0.779   90.476   90.476
LGA    N   104_B      N   104_B     1.102     1    0.026   0.767     2.571   83.690   67.262
LGA    T   105_B      T   105_B     0.990     0    0.019   0.070     1.172   88.214   85.306
LGA    A   106_B      A   106_B     0.792     0    0.014   0.020     1.221   85.952   86.857
LGA    A   107_B      A   107_B     1.083     0    0.022   0.029     1.404   81.429   81.429
LGA    L   108_B      L   108_B     2.366     0    0.157   1.013     6.227   75.238   55.357
LGA    A   109_B      A   109_B     2.061     0    0.170   0.219     3.055   68.810   65.048
LGA    A   110_B      A   110_B     1.574     0    0.637   0.585     3.500   63.452   67.048
LGA    A   111_B      A   111_B     4.263     0    0.048   0.067     6.786   56.548   47.905

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     764    764  100.00               105
SUMMARY(RMSD_GDC):     1.999          1.935                  2.234           83.118   79.086

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0    101    1.37    87.381    92.953     6.886

LGA_LOCAL      RMSD:   1.367  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.025  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.999  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.505483 * X  +  -0.166685 * Y  +   0.846583 * Z  +  17.456671
  Y_new =   0.823834 * X  +   0.384894 * Y  +  -0.416117 * Z  + -53.077858
  Z_new =  -0.256484 * X  +   0.907784 * Y  +   0.331878 * Z  + -13.175908 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.020456  0.259383  1.220299   [DEG:   58.4678   14.8616   69.9180 ]
ZXZ:  1.113951  1.232502 -0.275362   [DEG:   63.8247   70.6172  -15.7771 ]
 
# END of job
