
#######################################################
#                                                     #
#                        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  123 (  932),  selected  123 , name one
# Molecule2: number of CA atoms  124 (  941),  selected  123 , 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:   123       2_B - 124_B       3.27     3.27
  LCS_AVERAGE:     99.19

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    97       2_B - 98_B        1.69     3.32
  LCS_AVERAGE:     63.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      55_B - 97_B        0.90     3.34
  LONGEST_CONTINUOUS_SEGMENT:    43      56_B - 98_B        0.96     3.34
  LCS_AVERAGE:     22.21

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     V     2_B     V     2_B     27   97  123      4   68   95  100  102  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Q     3_B     Q     3_B     27   97  123     50   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     L     4_B     L     4_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     V     5_B     V     5_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     E     6_B     E     6_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S     7_B     S     7_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G     8_B     G     8_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G     9_B     G     9_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    10_B     G    10_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S    11_B     S    11_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     V    12_B     V    12_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Q    13_B     Q    13_B     27   97  123     66   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    14_B     A    14_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    15_B     G    15_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    16_B     G    16_B     27   97  123     29   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S    17_B     S    17_B     27   97  123     64   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     L    18_B     L    18_B     27   97  123     66   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     R    19_B     R    19_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     L    20_B     L    20_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S    21_B     S    21_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     C    22_B     C    22_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    23_B     A    23_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    24_B     A    24_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S    25_B     S    25_B     27   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    26_B     G    26_B     27   97  123      4   66   95  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S    27_B     S    27_B     27   97  123      3   11   83   99  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     T    28_B     T    28_B     27   97  123      3   13   76   99  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     V    29_B     V    29_B      4   97  123      3    4    6    8   11   24   33  109  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S    30_B     S    30_B      4   97  123      3    4    6   16   45  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    31_B     A    31_B     21   97  123      3    9   19   88  103  104  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Y    32_B     Y    32_B     21   97  123      3   34   87   99  103  104  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Y    33_B     Y    33_B     21   97  123     38   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     M    34_B     M    34_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    35_B     A    35_B     21   97  123     34   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     W    36_B     W    36_B     21   97  123     46   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     F    37_B     F    37_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     R    38_B     R    38_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Q    39_B     Q    39_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    40_B     A    40_B     21   97  123     50   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     P    41_B     P    41_B     21   97  123     41   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    42_B     G    42_B     21   97  123      9   61   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     K    43_B     K    43_B     21   97  123     47   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    44_B     G    44_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     R    45_B     R    45_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     E    46_B     E    46_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    47_B     G    47_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     V    48_B     V    48_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    49_B     A    49_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     V    50_B     V    50_B     21   97  123     35   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     I    51_B     I    51_B     21   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    52_B     G    52_B     20   97  123      3   19   66   91  102  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    53_B     G    53_B      4   97  123      3    3    6    9   18   28   59   96  107  108  110  113  115  116  117  117  119  119  120  121 
LCS_GDT     S    54_B     S    54_B      4   97  123      3    3    6   12   19   49   76  103  107  110  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    55_B     G    55_B     43   97  123      3   12   47   94  101  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     V    56_B     V    56_B     43   97  123      3   84   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Y    57_B     Y    57_B     43   97  123     40   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    58_B     A    58_B     43   97  123     40   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     D    59_B     D    59_B     43   97  123     66   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    60_B     A    60_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     V    61_B     V    61_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     K    62_B     K    62_B     43   97  123     66   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    63_B     G    63_B     43   97  123     66   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     R    64_B     R    64_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     F    65_B     F    65_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     T    66_B     T    66_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     I    67_B     I    67_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S    68_B     S    68_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Q    69_B     Q    69_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     D    70_B     D    70_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     N    71_B     N    71_B     43   97  123     65   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    72_B     A    72_B     43   97  123     58   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     K    73_B     K    73_B     43   97  123     52   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     N    74_B     N    74_B     43   97  123     66   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     T    75_B     T    75_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     L    76_B     L    76_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Y    77_B     Y    77_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     L    78_B     L    78_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Q    79_B     Q    79_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     M    80_B     M    80_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     N    81_B     N    81_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S    82_B     S    82_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     L    83_B     L    83_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     K    84_B     K    84_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     P    85_B     P    85_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     E    86_B     E    86_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     D    87_B     D    87_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     T    88_B     T    88_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    89_B     A    89_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     M    90_B     M    90_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Y    91_B     Y    91_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Y    92_B     Y    92_B     43   97  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     C    93_B     C    93_B     43   97  123     50   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    94_B     A    94_B     43   97  123     35   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A    95_B     A    95_B     43   97  123     33   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Y    96_B     Y    96_B     43   97  123     64   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     W    97_B     W    97_B     43   97  123      5   34   80   99  103  104  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     K    98_B     K    98_B     43   97  123      3   17   48   88  103  104  106  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G    99_B     G    99_B      3   45  123      2    3    6   10   12   19   33   44   63   84   98  107  109  111  115  116  118  118  120  121 
LCS_GDT     Y   100_B     Y   100_B      3    5  123      1    3    6    8    9   11   15   17   21   32   46   64   79   93  111  114  116  117  120  121 
LCS_GDT     K   101_B     K   101_B      3    5  123      0    3    4    4    7   13   15   22   30   36   47   63   77   93  104  113  116  118  120  121 
LCS_GDT     Y   102_B     Y   102_B      4    5  123      4    4    4    7    9   13   15   22   30   36   48   58   75   91  104  113  116  117  119  121 
LCS_GDT     H   103_B     H   103_B      4    5  123      4    4    4    6    9   12   19   25   36   52   89  107  111  113  117  117  119  119  120  121 
LCS_GDT     P   104_B     P   104_B      4    5  123      4    4    6   10   17   24   54   61   79  109  110  112  115  116  117  117  119  119  120  121 
LCS_GDT     K   105_B     K   105_B      4    5  123      4    4    4    6    6    8   13   16   23   46   54   63   97  116  117  117  119  119  120  121 
LCS_GDT     F   106_B     F   106_B      3    4  123      3    3    3    5   15   26   53   80  100  109  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     D   107_B     D   107_B      3    4  123      3    3    4    7   13   17   32   69   95  109  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     D   108_B     D   108_B      3    4  123      3    3    4    7    8   10   11   16   20   23   32   57   93  116  116  117  119  119  120  121 
LCS_GDT     S   109_B     S   109_B     16   16  123      3    3    8   32  101  104  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     A   110_B     A   110_B     16   16  123      3   20   94  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Y   111_B     Y   111_B     16   16  123     21   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     E   112_B     E   112_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Y   113_B     Y   113_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     W   114_B     W   114_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G   115_B     G   115_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Q   116_B     Q   116_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     G   117_B     G   117_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     T   118_B     T   118_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     Q   119_B     Q   119_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     V   120_B     V   120_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     T   121_B     T   121_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     V   122_B     V   122_B     16   16  123     67   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S   123_B     S   123_B     16   16  123     64   92   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_GDT     S   124_B     S   124_B     16   16  123      7   82   96  100  103  105  107  110  111  111  112  114  115  116  117  117  119  119  120  121 
LCS_AVERAGE  LCS_A:  61.78  (  22.21   63.94   99.19 )

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     67     92     96    100    103    105    107    110    111    111    112    114    115    116    117    117    119    119    120    121 
GDT PERCENT_AT  54.03  74.19  77.42  80.65  83.06  84.68  86.29  88.71  89.52  89.52  90.32  91.94  92.74  93.55  94.35  94.35  95.97  95.97  96.77  97.58
GDT RMS_LOCAL    0.30   0.46   0.53   0.65   0.82   0.96   1.05   1.23   1.34   1.34   1.48   1.74   1.87   1.98   2.15   2.15   2.43   2.43   2.63   3.07
GDT RMS_ALL_AT   3.32   3.33   3.34   3.34   3.32   3.33   3.34   3.32   3.32   3.32   3.32   3.32   3.30   3.32   3.32   3.32   3.31   3.31   3.29   3.27

# Checking swapping
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  F   106_B      F   106_B
#   possible swapping detected:  D   108_B      D   108_B
#   possible swapping detected:  E   112_B      E   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V     2_B      V     2_B     2.398     0    0.081   0.113     3.025   61.071   59.456
LGA    Q     3_B      Q     3_B     1.097     0    0.065   1.064     5.915   88.333   60.265
LGA    L     4_B      L     4_B     0.460     0    0.042   0.077     0.965   92.857   91.667
LGA    V     5_B      V     5_B     0.523     0    0.033   0.111     0.843   95.238   93.197
LGA    E     6_B      E     6_B     0.443     0    0.037   0.432     1.291   97.619   95.820
LGA    S     7_B      S     7_B     0.468     0    0.054   0.119     0.647  100.000   96.825
LGA    G     8_B      G     8_B     0.508     0    0.023   0.023     0.642   90.476   90.476
LGA    G     9_B      G     9_B     0.541     0    0.096   0.096     0.922   92.857   92.857
LGA    G    10_B      G    10_B     0.210     0    0.043   0.043     0.254  100.000  100.000
LGA    S    11_B      S    11_B     0.303     0    0.034   0.683     2.237   97.619   92.540
LGA    V    12_B      V    12_B     0.443     0    0.156   1.039     2.469   97.619   88.367
LGA    Q    13_B      Q    13_B     0.612     0    0.124   1.062     2.303   90.476   84.762
LGA    A    14_B      A    14_B     0.663     0    0.011   0.028     0.995   95.238   94.286
LGA    G    15_B      G    15_B     0.335     0    0.104   0.104     0.587   97.619   97.619
LGA    G    16_B      G    16_B     0.791     0    0.039   0.039     0.791   95.238   95.238
LGA    S    17_B      S    17_B     0.512     0    0.053   0.671     2.156   95.238   89.365
LGA    L    18_B      L    18_B     0.484     0    0.080   0.899     3.073   97.619   85.655
LGA    R    19_B      R    19_B     0.162     0    0.045   1.270     5.490  100.000   77.489
LGA    L    20_B      L    20_B     0.068     0    0.030   0.090     0.218  100.000  100.000
LGA    S    21_B      S    21_B     0.164     0    0.059   0.084     0.387  100.000  100.000
LGA    C    22_B      C    22_B     0.194     0    0.035   0.068     0.529  100.000   98.413
LGA    A    23_B      A    23_B     0.242     0    0.067   0.119     0.675   97.619   98.095
LGA    A    24_B      A    24_B     0.176     0    0.028   0.062     0.262  100.000  100.000
LGA    S    25_B      S    25_B     0.493     0    0.493   0.756     3.034   86.905   81.349
LGA    G    26_B      G    26_B     1.612     0    0.028   0.028     1.739   72.857   72.857
LGA    S    27_B      S    27_B     2.138     0    0.197   0.234     3.203   79.643   70.952
LGA    T    28_B      T    28_B     3.064     0    0.674   1.361     6.976   55.714   41.973
LGA    V    29_B      V    29_B     5.759     0    0.620   1.015     9.442   31.905   20.068
LGA    S    30_B      S    30_B     3.948     0    0.156   0.543     4.922   53.333   46.984
LGA    A    31_B      A    31_B     3.826     0    0.634   0.570     6.120   54.167   46.762
LGA    Y    32_B      Y    32_B     2.486     0    0.137   1.377    11.307   59.167   32.937
LGA    Y    33_B      Y    33_B     0.987     0    0.091   0.565     5.322   88.214   62.500
LGA    M    34_B      M    34_B     0.541     0    0.091   0.964     2.738   90.476   81.964
LGA    A    35_B      A    35_B     0.807     0    0.053   0.069     0.916   90.476   90.476
LGA    W    36_B      W    36_B     0.699     0    0.020   0.127     0.721   90.476   93.878
LGA    F    37_B      F    37_B     0.429     0    0.052   0.184     1.363   95.238   90.606
LGA    R    38_B      R    38_B     0.332     0    0.025   0.183     0.887  100.000   98.268
LGA    Q    39_B      Q    39_B     0.210     0    0.104   0.544     1.837  100.000   95.926
LGA    A    40_B      A    40_B     0.619     0    0.093   0.109     0.983   90.476   90.476
LGA    P    41_B      P    41_B     0.816     0    0.022   0.369     1.669   85.952   85.374
LGA    G    42_B      G    42_B     1.795     0    0.058   0.058     2.020   72.976   72.976
LGA    K    43_B      K    43_B     0.887     0    0.057   0.852     3.723   88.214   74.868
LGA    G    44_B      G    44_B     0.315     0    0.057   0.057     0.437  100.000  100.000
LGA    R    45_B      R    45_B     0.289     0    0.044   0.971     2.968  100.000   87.662
LGA    E    46_B      E    46_B     0.212     0    0.046   0.192     0.913  100.000   94.709
LGA    G    47_B      G    47_B     0.558     0    0.031   0.031     0.613   95.238   95.238
LGA    V    48_B      V    48_B     0.303     0    0.092   1.177     2.463  100.000   88.571
LGA    A    49_B      A    49_B     0.417     0    0.037   0.055     0.610   95.238   96.190
LGA    V    50_B      V    50_B     0.698     0    0.074   1.121     2.778   90.476   82.041
LGA    I    51_B      I    51_B     0.425     0    0.061   0.974     2.771   80.119   74.583
LGA    G    52_B      G    52_B     3.823     0    0.190   0.190     6.109   37.857   37.857
LGA    G    53_B      G    53_B     7.845     0    0.514   0.514     7.845   13.690   13.690
LGA    S    54_B      S    54_B     7.038     0    0.487   0.707     8.583   13.690   10.794
LGA    G    55_B      G    55_B     3.535     0    0.144   0.144     4.538   42.024   42.024
LGA    V    56_B      V    56_B     1.780     0    0.167   0.168     2.050   70.833   74.150
LGA    Y    57_B      Y    57_B     1.211     0    0.083   0.135     1.392   81.429   82.937
LGA    A    58_B      A    58_B     1.042     0    0.057   0.077     1.059   83.690   83.238
LGA    D    59_B      D    59_B     0.645     0    0.067   1.006     3.866   90.476   77.202
LGA    A    60_B      A    60_B     0.554     0    0.052   0.054     0.976   92.857   92.381
LGA    V    61_B      V    61_B     0.305     0    0.098   0.121     0.568  100.000   98.639
LGA    K    62_B      K    62_B     0.636     0    0.029   0.959     4.603   90.476   73.757
LGA    G    63_B      G    63_B     0.612     0    0.136   0.136     1.144   88.214   88.214
LGA    R    64_B      R    64_B     0.123     0    0.019   0.256     1.209  100.000   94.026
LGA    F    65_B      F    65_B     0.231     0    0.034   0.263     0.649  100.000   96.537
LGA    T    66_B      T    66_B     0.378     0    0.023   0.069     0.468  100.000  100.000
LGA    I    67_B      I    67_B     0.455     0    0.024   1.115     2.942  100.000   86.667
LGA    S    68_B      S    68_B     0.250     0    0.060   0.149     0.520  100.000   98.413
LGA    Q    69_B      Q    69_B     0.171     0    0.080   0.803     3.896  100.000   82.328
LGA    D    70_B      D    70_B     0.121     0    0.038   0.199     0.865  100.000   98.810
LGA    N    71_B      N    71_B     0.454     0    0.058   1.027     2.345   95.238   86.429
LGA    A    72_B      A    72_B     0.636     0    0.151   0.154     1.181   88.214   88.667
LGA    K    73_B      K    73_B     0.615     0    0.097   0.666     3.237   90.476   83.968
LGA    N    74_B      N    74_B     0.414     0    0.064   0.783     2.556   97.619   87.738
LGA    T    75_B      T    75_B     0.235     0    0.049   0.989     2.338  100.000   89.932
LGA    L    76_B      L    76_B     0.061     0    0.071   0.697     2.580  100.000   90.000
LGA    Y    77_B      Y    77_B     0.154     0    0.054   0.077     0.310  100.000  100.000
LGA    L    78_B      L    78_B     0.209     0    0.035   0.087     0.378  100.000  100.000
LGA    Q    79_B      Q    79_B     0.184     0    0.019   0.974     4.276  100.000   84.339
LGA    M    80_B      M    80_B     0.255     0    0.052   0.771     2.206  100.000   94.405
LGA    N    81_B      N    81_B     0.316     0    0.048   0.172     0.698  100.000   96.429
LGA    S    82_B      S    82_B     0.345     0    0.043   0.056     0.823  100.000   96.825
LGA    L    83_B      L    83_B     0.102     0    0.017   0.173     0.607  100.000   97.619
LGA    K    84_B      K    84_B     0.343     0    0.029   0.922     3.364  100.000   88.624
LGA    P    85_B      P    85_B     0.478     0    0.099   0.109     0.602   97.619   97.279
LGA    E    86_B      E    86_B     0.419     0    0.060   0.648     1.690   97.619   93.862
LGA    D    87_B      D    87_B     0.140     0    0.055   0.107     0.403  100.000  100.000
LGA    T    88_B      T    88_B     0.159     0    0.032   0.098     0.226  100.000  100.000
LGA    A    89_B      A    89_B     0.440     0    0.049   0.068     0.722  100.000   98.095
LGA    M    90_B      M    90_B     0.364     0    0.053   0.802     3.499  100.000   92.560
LGA    Y    91_B      Y    91_B     0.348     0    0.035   0.088     0.400  100.000  100.000
LGA    Y    92_B      Y    92_B     0.529     0    0.031   0.106     0.583   92.857   96.032
LGA    C    93_B      C    93_B     0.790     0    0.047   0.167     1.265   90.476   88.968
LGA    A    94_B      A    94_B     0.739     0    0.065   0.063     0.963   90.476   90.476
LGA    A    95_B      A    95_B     0.847     0    0.080   0.107     1.132   90.476   88.667
LGA    Y    96_B      Y    96_B     0.835     0    0.352   0.469     3.925   90.476   70.556
LGA    W    97_B      W    97_B     3.284     0    0.285   1.054    14.170   52.024   17.483
LGA    K    98_B      K    98_B     4.333     0    0.666   0.613     7.778   27.143   26.455
LGA    G    99_B      G    99_B    10.959     0    0.723   0.723    12.399    0.714    0.714
LGA    Y   100_B      Y   100_B    12.919     0    0.651   1.515    21.994    0.000    0.000
LGA    K   101_B      K   101_B    12.625     0    0.427   1.280    19.698    0.000    0.000
LGA    Y   102_B      Y   102_B    12.816     0    0.652   1.047    14.134    0.000    0.000
LGA    H   103_B      H   103_B     9.780     0    0.052   0.172    14.053    3.095    1.238
LGA    P   104_B      P   104_B     7.740     0    0.325   0.386     9.655    8.810    5.850
LGA    K   105_B      K   105_B     9.882     0    0.404   1.289    17.925    2.262    1.005
LGA    F   106_B      F   106_B     7.350     0    0.442   1.459    14.323    8.571    4.069
LGA    D   107_B      D   107_B     7.180     0    0.466   0.685     7.321   11.786   14.107
LGA    D   108_B      D   108_B     8.663     0    0.695   1.028    12.964   11.548    5.774
LGA    S   109_B      S   109_B     3.513     0    0.618   0.770     5.979   42.500   36.270
LGA    A   110_B      A   110_B     1.918     0    0.178   0.181     2.764   71.071   68.286
LGA    Y   111_B      Y   111_B     1.082     0    0.084   0.155     1.267   83.690   82.183
LGA    E   112_B      E   112_B     0.414     0    0.056   0.995     4.175   97.619   75.344
LGA    Y   113_B      Y   113_B     0.334     0    0.021   0.161     1.798  100.000   89.167
LGA    W   114_B      W   114_B     0.191     0    0.047   0.086     0.653  100.000   97.959
LGA    G   115_B      G   115_B     0.278     0    0.037   0.037     0.459  100.000  100.000
LGA    Q   116_B      Q   116_B     0.343     0    0.101   1.396     6.744  100.000   70.847
LGA    G   117_B      G   117_B     0.512     0    0.115   0.115     0.986   92.857   92.857
LGA    T   118_B      T   118_B     0.260     0    0.089   1.269     2.733   97.619   86.395
LGA    Q   119_B      Q   119_B     0.215     0    0.025   1.013     2.434  100.000   93.069
LGA    V   120_B      V   120_B     0.256     0    0.030   0.051     0.395  100.000  100.000
LGA    T   121_B      T   121_B     0.433     0    0.066   0.983     2.087  100.000   89.728
LGA    V   122_B      V   122_B     0.355     0    0.101   0.101     0.704  100.000   97.279
LGA    S   123_B      S   123_B     0.750     0    0.152   0.214     1.839   83.810   84.524
LGA    S   124_B      S   124_B     1.655     0    0.377   0.429     2.510   75.119   70.397

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     932    932  100.00               124
SUMMARY(RMSD_GDC):     3.265          3.180                  4.283           80.863   75.780

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  124    4.0    110    1.23    84.476    80.126     8.298

LGA_LOCAL      RMSD:   1.226  Number of atoms:  110  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.318  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.265  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.582292 * X  +   0.751560 * Y  +   0.309991 * Z  + -67.109962
  Y_new =  -0.428600 * X  +  -0.607798 * Y  +   0.668493 * Z  + -22.615980
  Z_new =   0.690824 * X  +   0.256396 * Y  +   0.676035 * Z  +  16.786362 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.507075 -0.762629  0.362504   [DEG: -143.6448  -43.6954   20.7700 ]
ZXZ:  2.707392  0.828429  1.215410   [DEG:  155.1221   47.4655   69.6378 ]
 
# END of job
