
#######################################################
#                                                     #
#                        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       1.99     1.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       7_B - 111_B       1.99     1.99
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      10_B - 86_B        0.96     2.06
  LONGEST_CONTINUOUS_SEGMENT:    77      11_B - 87_B        0.95     2.07
  LCS_AVERAGE:     59.06

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   44   77   95  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P     8_B     P     8_B     15  105  105      6   10   32   60   88   95  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K     9_B     K     9_B     45  105  105      8   21   64   88   94   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    10_B     V    10_B     77  105  105      6   17   58   88   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    11_B     Y    11_B     77  105  105     14   68   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    12_B     A    12_B     77  105  105     15   68   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    13_B     P    13_B     77  105  105      8   68   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    14_B     V    14_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    15_B     T    15_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    16_B     T    16_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    17_B     G    17_B     77  105  105     36   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    18_B     A    18_B     77  105  105     45   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    19_B     D    19_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    20_B     G    20_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    21_B     K    21_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    22_B     L    22_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    23_B     S    23_B     77  105  105      7   15   81   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    24_B     L    24_B     77  105  105     10   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    25_B     S    25_B     77  105  105     10   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    26_B     V    26_B     77  105  105     34   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    27_B     G    27_B     77  105  105     17   58   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    28_B     G    28_B     77  105  105     17   52   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    29_B     Y    29_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    30_B     K    30_B     77  105  105     44   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    31_B     K    31_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    32_B     T    32_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     F    33_B     F    33_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    34_B     T    34_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    35_B     K    35_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    36_B     V    36_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    37_B     D    37_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    38_B     A    38_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    39_B     A    39_B     77  105  105     44   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    40_B     T    40_B     77  105  105     34   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    41_B     K    41_B     77  105  105     45   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    42_B     A    42_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    43_B     P    43_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    44_B     L    44_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    45_B     A    45_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    46_B     G    46_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    47_B     A    47_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    48_B     V    48_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     F    49_B     F    49_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Q    50_B     Q    50_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    51_B     V    51_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    52_B     V    52_B     77  105  105     38   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    53_B     E    53_B     77  105  105     17   67   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    54_B     K    54_B     77  105  105     14   59   81   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    55_B     D    55_B     77  105  105     14   29   81   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    56_B     G    56_B     77  105  105     14   35   81   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    57_B     D    57_B     77  105  105     14   67   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     I    58_B     I    58_B     77  105  105     36   69   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    59_B     T    59_B     77  105  105     44   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    60_B     L    60_B     77  105  105     45   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    61_B     Y    61_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    62_B     E    62_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L    63_B     L    63_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    64_B     S    64_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    65_B     S    65_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    66_B     P    66_B     77  105  105     44   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    67_B     A    67_B     77  105  105     44   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    68_B     G    68_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    69_B     Y    69_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    70_B     V    70_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    71_B     P    71_B     77  105  105      9   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    72_B     V    72_B     77  105  105     38   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    73_B     T    73_B     77  105  105     43   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     N    74_B     N    74_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    75_B     K    75_B     77  105  105     14   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     P    76_B     P    76_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     I    77_B     I    77_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y    78_B     Y    78_B     77  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     N    79_B     N    79_B     77  105  105     44   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     I    80_B     I    80_B     77  105  105     22   69   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    81_B     S    81_B     77  105  105     14   66   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T    82_B     T    82_B     77  105  105     39   69   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    83_B     G    83_B     77  105  105     21   69   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    84_B     E    84_B     77  105  105     31   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    85_B     A    85_B     77  105  105     29   69   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     F    86_B     F    86_B     77  105  105     10   56   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    87_B     D    87_B     77  105  105      4   15   47   87   93   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    88_B     S    88_B     60  105  105      4    9   17   58   92   95   99  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    89_B     A    89_B      3  105  105      3    3    4    4   31   62   75   93   98  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A    90_B     A    90_B      3  105  105      3    3    4    4    5    5    6   23   29   61   90   95  100  104  105  105  105  105  105  105 
LCS_GDT     A    91_B     A    91_B      3  105  105      3    3    4    5   16   35   50   79   95   98  102  103  104  104  105  105  105  105  105  105 
LCS_GDT     S    92_B     S    92_B     19  105  105     26   69   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    93_B     V    93_B     19  105  105     27   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     V    94_B     V    94_B     19  105  105     26   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     K    95_B     K    95_B     19  105  105     29   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     E    96_B     E    96_B     19  105  105     29   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     D    97_B     D    97_B     19  105  105     21   57   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     G    98_B     G    98_B     19  105  105     29   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Q    99_B     Q    99_B     19  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y   100_B     Y   100_B     19  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     Y   101_B     Y   101_B     19  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     I   102_B     I   102_B     19  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T   103_B     T   103_B     19  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     N   104_B     N   104_B     19  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     T   105_B     T   105_B     19  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   106_B     A   106_B     19  105  105     46   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   107_B     A   107_B     19  105  105     21   70   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     L   108_B     L   108_B     19  105  105      4   51   82   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   109_B     A   109_B     19  105  105      4   39   82   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   110_B     A   110_B     19  105  105     12   61   83   91   96   98  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_GDT     A   111_B     A   111_B      6  105  105      3    3    7   60   86   96  100  101  102  102  103  103  104  104  105  105  105  105  105  105 
LCS_AVERAGE  LCS_A:  86.35  (  59.06  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     46     70     83     91     96     98    100    101    102    102    103    103    104    104    105    105    105    105    105    105 
GDT PERCENT_AT  43.81  66.67  79.05  86.67  91.43  93.33  95.24  96.19  97.14  97.14  98.10  98.10  99.05  99.05 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.52   0.71   0.88   1.03   1.13   1.30   1.35   1.49   1.49   1.60   1.60   1.74   1.74   1.99   1.99   1.99   1.99   1.99   1.99
GDT RMS_ALL_AT   2.08   2.10   2.07   2.05   2.05   2.03   2.02   2.01   2.00   2.00   2.00   2.00   1.99   1.99   1.99   1.99   1.99   1.99   1.99   1.99

# 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:  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     6.595     0    0.050   1.317    11.606   19.881   10.688
LGA    P     8_B      P     8_B     4.488     0    0.079   0.094     6.272   35.952   30.544
LGA    K     9_B      K     9_B     3.105     0    0.030   0.854     3.395   55.476   57.302
LGA    V    10_B      V    10_B     2.930     0    0.016   0.069     4.806   57.262   49.592
LGA    Y    11_B      Y    11_B     1.077     0    0.064   0.235     1.650   79.286   82.302
LGA    A    12_B      A    12_B     1.042     0    0.021   0.025     1.087   81.429   83.238
LGA    P    13_B      P    13_B     1.051     0    0.056   0.361     1.356   85.952   84.014
LGA    V    14_B      V    14_B     0.379     0    0.066   1.047     2.763   97.619   87.279
LGA    T    15_B      T    15_B     0.089     0    0.051   0.077     0.540   97.619   98.639
LGA    T    16_B      T    16_B     0.122     0    0.023   0.080     0.425  100.000  100.000
LGA    G    17_B      G    17_B     0.610     0    0.051   0.051     0.610   97.619   97.619
LGA    A    18_B      A    18_B     0.472     0    0.022   0.023     0.743   97.619   96.190
LGA    D    19_B      D    19_B     0.631     0    0.105   0.219     1.770   97.619   89.583
LGA    G    20_B      G    20_B     0.415     0    0.019   0.019     0.507   97.619   97.619
LGA    K    21_B      K    21_B     0.552     0    0.045   0.963     3.118   90.476   84.180
LGA    L    22_B      L    22_B     0.541     0    0.100   1.043     4.665   88.214   76.548
LGA    S    23_B      S    23_B     2.051     0    0.256   0.263     4.355   75.119   63.492
LGA    L    24_B      L    24_B     0.964     0    0.030   0.080     1.474   85.952   83.690
LGA    S    25_B      S    25_B     0.888     0    0.290   0.748     3.810   90.476   81.111
LGA    V    26_B      V    26_B     0.675     0    0.038   0.069     1.438   88.214   86.599
LGA    G    27_B      G    27_B     1.638     0    0.037   0.037     1.826   75.000   75.000
LGA    G    28_B      G    28_B     1.722     0    0.022   0.022     1.722   77.143   77.143
LGA    Y    29_B      Y    29_B     0.543     0    0.474   0.776     2.876   79.881   83.214
LGA    K    30_B      K    30_B     0.801     0    0.018   0.285     4.578   92.857   73.810
LGA    K    31_B      K    31_B     0.357     0    0.081   0.406     1.176  100.000   92.698
LGA    T    32_B      T    32_B     0.535     0    0.054   1.080     3.056   95.238   82.653
LGA    F    33_B      F    33_B     0.376     0    0.029   0.169     1.557  100.000   89.091
LGA    T    34_B      T    34_B     0.278     0    0.021   0.068     0.593  100.000   98.639
LGA    K    35_B      K    35_B     0.120     0    0.053   0.336     1.904  100.000   93.862
LGA    V    36_B      V    36_B     0.494     0    0.054   0.061     0.576   95.238   93.197
LGA    D    37_B      D    37_B     0.658     0    0.023   0.464     1.592   90.476   88.274
LGA    A    38_B      A    38_B     0.683     0    0.016   0.024     0.810   90.476   90.476
LGA    A    39_B      A    39_B     0.935     0    0.111   0.109     1.197   88.214   88.667
LGA    T    40_B      T    40_B     1.004     0    0.006   0.070     1.026   85.952   87.891
LGA    K    41_B      K    41_B     0.658     0    0.108   1.354     7.114   88.214   69.471
LGA    A    42_B      A    42_B     0.647     0    0.016   0.024     0.920   90.476   90.476
LGA    P    43_B      P    43_B     0.422     0    0.012   0.345     1.358   97.619   94.626
LGA    L    44_B      L    44_B     0.348     0    0.143   0.168     0.727   97.619   95.238
LGA    A    45_B      A    45_B     0.293     0    0.035   0.046     0.337  100.000  100.000
LGA    G    46_B      G    46_B     0.445     0    0.067   0.067     0.445  100.000  100.000
LGA    A    47_B      A    47_B     0.296     0    0.076   0.089     0.601   97.619   98.095
LGA    V    48_B      V    48_B     0.292     0    0.024   0.057     0.554  100.000   98.639
LGA    F    49_B      F    49_B     0.399     0    0.034   0.115     0.922  100.000   94.805
LGA    Q    50_B      Q    50_B     0.410     0    0.026   0.437     1.190  100.000   91.693
LGA    V    51_B      V    51_B     0.542     0    0.020   1.190     2.627   95.238   84.762
LGA    V    52_B      V    52_B     0.613     0    0.142   1.082     3.381   92.857   83.469
LGA    E    53_B      E    53_B     1.873     0    0.063   0.885     3.535   70.952   63.492
LGA    K    54_B      K    54_B     2.423     0    0.052   0.747     5.958   60.952   49.418
LGA    D    55_B      D    55_B     2.660     0    0.087   0.116     2.867   57.143   57.143
LGA    G    56_B      G    56_B     2.618     0    0.292   0.292     3.439   55.357   55.357
LGA    D    57_B      D    57_B     1.909     0    0.120   0.727     2.838   68.810   66.845
LGA    I    58_B      I    58_B     1.225     0    0.042   0.630     3.390   79.286   76.429
LGA    T    59_B      T    59_B     0.760     0    0.069   1.074     2.584   92.857   83.401
LGA    L    60_B      L    60_B     0.600     0    0.018   0.105     0.813   95.238   92.857
LGA    Y    61_B      Y    61_B     0.324     0    0.063   0.191     1.418  100.000   91.429
LGA    E    62_B      E    62_B     0.166     0    0.026   0.239     0.780  100.000   96.825
LGA    L    63_B      L    63_B     0.246     0    0.068   1.139     2.381  100.000   90.000
LGA    S    64_B      S    64_B     0.270     0    0.038   0.592     1.970   97.619   93.889
LGA    S    65_B      S    65_B     0.427     0    0.030   0.678     1.768   95.238   90.714
LGA    P    66_B      P    66_B     0.735     0    0.039   0.056     0.815   90.476   90.476
LGA    A    67_B      A    67_B     0.814     0    0.022   0.024     0.959   90.476   90.476
LGA    G    68_B      G    68_B     0.434     0    0.024   0.024     0.537   97.619   97.619
LGA    Y    69_B      Y    69_B     0.546     0    0.052   0.104     0.755   95.238   92.063
LGA    V    70_B      V    70_B     0.386     0    0.022   0.033     0.491  100.000  100.000
LGA    P    71_B      P    71_B     0.701     0    0.095   0.364     1.163   90.476   89.184
LGA    V    72_B      V    72_B     0.666     0    0.038   0.320     1.123   95.238   90.612
LGA    T    73_B      T    73_B     0.163     0    0.047   0.946     2.105  100.000   91.088
LGA    N    74_B      N    74_B     0.624     0    0.023   0.864     2.552   90.595   79.821
LGA    K    75_B      K    75_B     1.150     0    0.079   1.056     7.477   88.214   60.053
LGA    P    76_B      P    76_B     0.830     0    0.028   0.087     1.347   88.214   85.306
LGA    I    77_B      I    77_B     0.247     0    0.157   1.519     3.314   97.619   82.798
LGA    Y    78_B      Y    78_B     0.347     0    0.053   0.192     1.157   97.619   92.937
LGA    N    79_B      N    79_B     0.729     0    0.042   0.172     1.541   90.595   86.071
LGA    I    80_B      I    80_B     1.269     0    0.018   0.615     2.104   79.286   78.274
LGA    S    81_B      S    81_B     1.673     0    0.032   0.520     1.891   77.143   75.714
LGA    T    82_B      T    82_B     0.933     0    0.064   0.067     1.170   88.214   90.544
LGA    G    83_B      G    83_B     1.252     0    0.154   0.154     1.844   79.286   79.286
LGA    E    84_B      E    84_B     0.988     0    0.036   0.808     2.527   88.214   78.942
LGA    A    85_B      A    85_B     0.968     0    0.020   0.026     1.190   85.952   86.857
LGA    F    86_B      F    86_B     1.554     0    0.011   0.155     2.212   70.952   81.775
LGA    D    87_B      D    87_B     3.302     0    0.631   1.252     6.372   50.119   38.571
LGA    S    88_B      S    88_B     3.799     0    0.645   0.704     5.826   45.000   38.810
LGA    A    89_B      A    89_B     6.372     0    0.156   0.168     8.437   13.810   12.000
LGA    A    90_B      A    90_B    10.302     0    0.013   0.032    12.541    1.548    1.238
LGA    A    91_B      A    91_B     7.095     0    0.651   0.586     8.571   15.833   13.238
LGA    S    92_B      S    92_B     1.621     0    0.682   0.620     2.946   73.214   71.746
LGA    V    93_B      V    93_B     1.303     0    0.010   0.089     2.008   77.143   75.374
LGA    V    94_B      V    94_B     1.388     0    0.037   1.086     3.574   81.429   73.537
LGA    K    95_B      K    95_B     1.343     0    0.030   0.170     1.668   79.286   82.487
LGA    E    96_B      E    96_B     1.420     0    0.441   0.890     5.306   75.357   57.566
LGA    D    97_B      D    97_B     1.749     0    0.193   0.161     2.378   72.976   69.881
LGA    G    98_B      G    98_B     1.077     0    0.036   0.036     1.311   88.333   88.333
LGA    Q    99_B      Q    99_B     0.505     0    0.031   0.494     2.973   92.857   83.862
LGA    Y   100_B      Y   100_B     0.492     0    0.060   0.077     1.187  100.000   91.389
LGA    Y   101_B      Y   101_B     0.391     0    0.023   0.045     1.231   95.238   91.310
LGA    I   102_B      I   102_B     0.657     0    0.034   0.126     1.168   92.857   90.536
LGA    T   103_B      T   103_B     0.742     0    0.018   0.065     0.971   90.476   90.476
LGA    N   104_B      N   104_B     0.855     1    0.022   0.636     2.368   90.476   73.750
LGA    T   105_B      T   105_B     0.802     0    0.021   0.077     0.977   90.476   90.476
LGA    A   106_B      A   106_B     0.697     0    0.009   0.018     1.146   88.214   88.667
LGA    A   107_B      A   107_B     1.032     0    0.014   0.023     1.327   85.952   85.048
LGA    L   108_B      L   108_B     2.062     0    0.146   0.323     5.492   77.381   57.560
LGA    A   109_B      A   109_B     1.854     0    0.136   0.178     2.803   75.000   71.429
LGA    A   110_B      A   110_B     1.424     0    0.638   0.587     3.321   67.262   70.095
LGA    A   111_B      A   111_B     4.494     0    0.049   0.068     7.225   50.595   42.476

# 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):     1.985          1.925                  2.248           83.574   79.178

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0    101    1.35    87.381    92.966     6.968

LGA_LOCAL      RMSD:   1.349  Number of atoms:  101  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.011  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   1.985  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.180158 * X  +  -0.983338 * Y  +  -0.024282 * Z  +  16.968971
  Y_new =   0.784525 * X  +  -0.128755 * Y  +  -0.606583 * Z  + -53.225445
  Z_new =   0.593350 * X  +  -0.128331 * Y  +   0.794649 * Z  + -13.963327 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.796523 -0.635214 -0.160111   [DEG:  102.9332  -36.3951   -9.1737 ]
ZXZ: -0.040009  0.652367  1.783797   [DEG:   -2.2924   37.3779  102.2041 ]
 
# END of job
