
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , 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:   126       7_B - 134_B       3.02     3.02
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74       7_B - 80_B        1.94     3.56
  LCS_AVERAGE:     53.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41       7_B - 47_B        0.87     3.59
  LCS_AVERAGE:     22.06

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     41   74  126     20   49   78   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E     8_B     E     8_B     41   74  126     15   48   73   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     A     9_B     A     9_B     41   74  126     18   51   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K    10_B     K    10_B     41   74  126     18   54   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E    11_B     E    11_B     41   74  126     18   50   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     A    12_B     A    12_B     41   74  126     18   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     I    13_B     I    13_B     41   74  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     I    14_B     I    14_B     41   74  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     A    15_B     A    15_B     41   74  126     18   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     M    16_B     M    16_B     41   74  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     L    17_B     L    17_B     41   74  126     18   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K    18_B     K    18_B     41   74  126     18   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E    19_B     E    19_B     41   74  126     18   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     W    20_B     W    20_B     41   74  126     18   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Y    21_B     Y    21_B     41   74  126     16   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    22_B     D    22_B     41   74  126     13   50   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     A    23_B     A    23_B     41   74  126     15   45   80   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     M    24_B     M    24_B     41   74  126     17   48   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     N    25_B     N    25_B     41   74  126     18   45   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E    26_B     E    26_B     41   74  126     12   45   80   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     G    27_B     G    27_B     41   74  126     18   45   74   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    28_B     D    28_B     41   74  126     18   47   80   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     M    29_B     M    29_B     41   74  126      7   48   68   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E    30_B     E    30_B     41   74  126     18   50   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K    31_B     K    31_B     41   74  126     18   57   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     L    32_B     L    32_B     41   74  126     18   57   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     R    33_B     R    33_B     41   74  126     18   57   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     S    34_B     S    34_B     41   74  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     L    35_B     L    35_B     41   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    36_B     V    36_B     41   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    37_B     D    37_B     41   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     P    38_B     P    38_B     41   74  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    39_B     D    39_B     41   74  126     18   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     A    40_B     A    40_B     41   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     S    41_B     S    41_B     41   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     F    42_B     F    42_B     41   74  126     19   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    43_B     V    43_B     41   74  126     17   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    44_B     D    44_B     41   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     A    45_B     A    45_B     41   74  126      4   48   72   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     R    46_B     R    46_B     41   74  126     18   49   67   93  102  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     T    47_B     T    47_B     41   74  126     20   50   78   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     N    48_B     N    48_B     35   74  126      3   10   16   24   83  103  110  115  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Q    49_B     Q    49_B     35   74  126     17   45   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    50_B     V    50_B     35   74  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Y    51_B     Y    51_B     35   74  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    52_B     D    52_B     35   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K    53_B     K    53_B     35   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    54_B     D    54_B     35   74  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Q    55_B     Q    55_B     35   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     F    56_B     F    56_B     35   74  126     20   54   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     L    57_B     L    57_B     35   74  126     18   50   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Q    58_B     Q    58_B     35   74  126     18   50   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     M    59_B     M    59_B     35   74  126     18   50   78   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     I    60_B     I    60_B     35   74  126     18   50   75   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K    61_B     K    61_B     35   74  126     18   50   67   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E    62_B     E    62_B     35   74  126     18   49   67   91  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     A    63_B     A    63_B     14   74  126      3    5    5   11   38   72   90  106  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     L    64_B     L    64_B     14   74  126     16   50   68   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E    65_B     E    65_B      4   74  126      4    5    6   23   77   88  105  115  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Q    66_B     Q    66_B      4   74  126      4   10   44   85   99  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    67_B     D    67_B      7   74  126      4   15   74   92  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     L    68_B     L    68_B      7   74  126      4    9   45   84  101  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K    69_B     K    69_B      7   74  126     17   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    70_B     V    70_B      7   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E    71_B     E    71_B      7   74  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    72_B     V    72_B      7   74  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K    73_B     K    73_B      7   74  126     13   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     S    74_B     S    74_B      6   74  126      3    5   49   75  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     I    75_B     I    75_B      5   74  126      3    7   14   18   85  104  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    76_B     D    76_B      5   74  126      4    5   30   51   85  104  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     I    77_B     I    77_B      5   74  126      4   18   30   56   73   90  111  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E    78_B     E    78_B      5   74  126      4    5   43   63   91  106  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Q    79_B     Q    79_B      5   74  126      4    5    6    7   20   24   62  104  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Q    80_B     Q    80_B      5   74  126      3    5    8   26   63  104  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     P    81_B     P    81_B      4   61  126      3    4    6    6   10   43   83  113  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    82_B     D    82_B      4   61  126     10   27   56   93  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     G    83_B     G    83_B     14   61  126      9   59   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D    84_B     D    84_B     14   61  126      4   39   73   93  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    85_B     V    85_B     14   61  126     11   59   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    86_B     V    86_B     22   61  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     I    87_B     I    87_B     22   61  126     19   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    88_B     V    88_B     22   61  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K    89_B     K    89_B     22   61  126     19   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    90_B     V    90_B     22   61  126     19   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K    91_B     K    91_B     22   61  126     17   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    92_B     V    92_B     22   61  126     16   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     R    93_B     R    93_B     22   61  126     12   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     A    94_B     A    94_B     22   61  126     16   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     T    95_B     T    95_B     22   61  126     11   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     M    96_B     M    96_B     22   61  126      6   36   77   93  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V    97_B     V    97_B     22   61  126      5   18   54   85   95  107  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     R    98_B     R    98_B     22   61  126      6   18   54   85   95  106  112  116  118  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Q   101_B     Q   101_B     23   61  126      5   20   58   85   95  107  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E   102_B     E   102_B     28   61  126     12   44   80   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     H   103_B     H   103_B     28   61  126     16   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V   104_B     V   104_B     28   61  126     19   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     F   105_B     F   105_B     28   61  126     19   53   78   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E   106_B     E   106_B     28   61  126     17   53   79   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V   107_B     V   107_B     28   61  126      8   45   70   92  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V   108_B     V   108_B     28   61  126     17   53   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D   109_B     D   109_B     28   61  126     10   58   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     T   110_B     T   110_B     28   61  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Y   111_B     Y   111_B     28   61  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E   112_B     E   112_B     28   61  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     F   113_B     F   113_B     28   61  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     R   114_B     R   114_B     28   61  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     R   115_B     R   115_B     28   61  126     12   57   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K   116_B     K   116_B     28   61  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     G   117_B     G   117_B     28   61  126     19   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     D   118_B     D   118_B     28   61  126      6   59   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     S   119_B     S   119_B     28   61  126     12   59   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     W   120_B     W   120_B     28   61  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K   121_B     K   121_B     28   61  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     I   122_B     I   122_B     28   61  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V   123_B     V   123_B     28   61  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     K   124_B     K   124_B     28   61  126     20   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     L   125_B     L   125_B     28   61  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     V   126_B     V   126_B     28   61  126     21   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     S   127_B     S   127_B     28   61  126     19   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     E   128_B     E   128_B     28   61  126     19   60   81   94  103  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     I   129_B     I   129_B     28   61  126      4   35   65   85  101  108  112  116  120  121  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     T   130_B     T   130_B     13   60  126      3    7   15   35   76   94  102  113  116  119  121  122  122  123  124  124  124  125  125  125 
LCS_GDT     Q   131_B     Q   131_B      6   51  126      3    7   12   21   34   45   67   86  104  112  117  121  122  123  124  124  124  125  125  125 
LCS_GDT     L   132_B     L   132_B      6   49  126      3    7   12   21   28   42   61   74   95  108  114  118  122  123  124  124  124  125  125  125 
LCS_GDT     G   133_B     G   133_B      5   25  126      0    4    7   14   23   28   34   43   46   62   75  103  104  116  124  124  124  125  125  125 
LCS_GDT     S   134_B     S   134_B      3    6  126      0    0    3    3    7   10   11   12   12   12   12   12   23   27   39   56   68   74   83  104 
LCS_AVERAGE  LCS_A:  58.61  (  22.06   53.75  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     21     60     81     94    103    108    112    116    120    121    121    122    122    123    124    124    124    125    125    125 
GDT PERCENT_AT  16.67  47.62  64.29  74.60  81.75  85.71  88.89  92.06  95.24  96.03  96.03  96.83  96.83  97.62  98.41  98.41  98.41  99.21  99.21  99.21
GDT RMS_LOCAL    0.34   0.68   0.91   1.08   1.26   1.39   1.54   1.71   2.00   2.03   2.03   2.08   2.08   2.20   2.36   2.36   2.36   2.61   2.61   2.61
GDT RMS_ALL_AT   3.15   3.08   3.09   3.11   3.11   3.12   3.10   3.11   3.15   3.14   3.14   3.12   3.12   3.09   3.07   3.07   3.07   3.04   3.04   3.04

# Checking swapping
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  E   102_B      E   102_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  E   128_B      E   128_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.995     0    0.253   0.487     3.733   66.905   62.646
LGA    E     8_B      E     8_B     1.853     0    0.085   1.605     7.206   72.857   52.963
LGA    A     9_B      A     9_B     1.107     0    0.038   0.041     1.363   85.952   85.048
LGA    K    10_B      K    10_B     1.084     0    0.054   0.957     5.122   81.429   64.339
LGA    E    11_B      E    11_B     1.288     0    0.031   1.158     6.068   81.429   59.365
LGA    A    12_B      A    12_B     1.056     0    0.020   0.038     1.165   85.952   85.048
LGA    I    13_B      I    13_B     0.905     0    0.041   0.421     1.568   90.476   88.333
LGA    I    14_B      I    14_B     0.863     0    0.024   0.994     3.273   88.214   79.940
LGA    A    15_B      A    15_B     0.910     0    0.032   0.037     1.046   88.214   88.667
LGA    M    16_B      M    16_B     0.844     0    0.057   0.659     1.349   90.476   89.405
LGA    L    17_B      L    17_B     0.925     0    0.030   0.218     1.097   85.952   85.952
LGA    K    18_B      K    18_B     1.029     0    0.021   0.988     5.199   85.952   69.153
LGA    E    19_B      E    19_B     0.891     0    0.027   0.780     2.306   90.476   83.651
LGA    W    20_B      W    20_B     0.844     0    0.061   0.267     1.704   90.476   84.082
LGA    Y    21_B      Y    21_B     0.613     0    0.052   0.187     2.690   88.214   80.357
LGA    D    22_B      D    22_B     1.251     0    0.036   0.315     1.721   79.286   78.214
LGA    A    23_B      A    23_B     1.559     0    0.034   0.039     1.710   77.143   76.286
LGA    M    24_B      M    24_B     1.282     0    0.027   1.187     3.434   81.429   72.381
LGA    N    25_B      N    25_B     1.434     0    0.119   1.159     4.043   75.119   64.167
LGA    E    26_B      E    26_B     1.479     0    0.613   1.011     6.515   71.429   54.286
LGA    G    27_B      G    27_B     1.771     0    0.447   0.447     1.771   79.286   79.286
LGA    D    28_B      D    28_B     1.625     0    0.103   0.306     1.990   72.857   73.929
LGA    M    29_B      M    29_B     1.857     0    0.091   1.041     8.164   72.857   50.536
LGA    E    30_B      E    30_B     1.387     0    0.049   0.368     1.517   79.286   82.487
LGA    K    31_B      K    31_B     1.015     0    0.035   0.761     2.854   81.429   78.889
LGA    L    32_B      L    32_B     0.949     0    0.022   0.993     4.548   88.214   72.500
LGA    R    33_B      R    33_B     1.038     0    0.067   1.485     8.418   85.952   57.706
LGA    S    34_B      S    34_B     0.662     0    0.159   0.523     2.365   90.476   86.190
LGA    L    35_B      L    35_B     0.104     0    0.158   0.144     0.615   97.619   97.619
LGA    V    36_B      V    36_B     0.172     0    0.080   0.983     2.358  100.000   91.088
LGA    D    37_B      D    37_B     0.356     0    0.092   0.828     3.500   97.619   81.905
LGA    P    38_B      P    38_B     0.521     0    0.032   0.102     0.589   92.857   91.837
LGA    D    39_B      D    39_B     0.642     0    0.214   0.187     3.034   88.214   75.655
LGA    A    40_B      A    40_B     0.902     0    0.061   0.091     1.141   90.476   88.667
LGA    S    41_B      S    41_B     0.896     0    0.122   0.660     2.684   90.476   84.921
LGA    F    42_B      F    42_B     0.652     0    0.101   0.107     1.768   90.476   82.381
LGA    V    43_B      V    43_B     0.705     0    0.083   1.118     2.912   90.476   83.197
LGA    D    44_B      D    44_B     0.755     0    0.108   1.003     4.121   85.952   74.167
LGA    A    45_B      A    45_B     2.197     0    0.044   0.050     2.728   64.881   63.333
LGA    R    46_B      R    46_B     2.871     0    0.160   1.356    11.330   59.048   32.944
LGA    T    47_B      T    47_B     2.027     0    0.650   0.951     5.140   49.762   51.156
LGA    N    48_B      N    48_B     5.036     0    0.656   1.274    11.490   44.167   23.452
LGA    Q    49_B      Q    49_B     1.659     0    0.126   0.919     5.797   65.000   49.841
LGA    V    50_B      V    50_B     0.748     0    0.037   0.105     1.505   88.214   84.082
LGA    Y    51_B      Y    51_B     0.598     0    0.050   1.464     6.710   90.476   65.556
LGA    D    52_B      D    52_B     0.672     0    0.033   0.390     1.649   90.476   88.274
LGA    K    53_B      K    53_B     0.718     0    0.025   0.432     1.841   90.476   86.561
LGA    D    54_B      D    54_B     0.607     0    0.049   0.069     0.799   90.476   90.476
LGA    Q    55_B      Q    55_B     0.940     0    0.027   0.491     2.833   85.952   80.794
LGA    F    56_B      F    56_B     1.319     0    0.045   0.185     2.085   79.286   74.459
LGA    L    57_B      L    57_B     1.480     0    0.054   0.995     2.341   81.429   75.119
LGA    Q    58_B      Q    58_B     1.449     0    0.019   1.442     6.186   77.143   60.053
LGA    M    59_B      M    59_B     1.793     0    0.068   0.995     3.620   70.833   68.155
LGA    I    60_B      I    60_B     1.869     0    0.034   1.091     4.027   68.810   62.500
LGA    K    61_B      K    61_B     2.275     0    0.077   0.806     5.528   61.190   52.381
LGA    E    62_B      E    62_B     2.842     0    0.663   1.248     6.278   55.476   48.360
LGA    A    63_B      A    63_B     6.037     0    0.567   0.525     7.827   32.619   27.524
LGA    L    64_B      L    64_B     2.309     0    0.058   0.818     5.305   57.500   50.179
LGA    E    65_B      E    65_B     5.164     0    0.097   0.659    11.552   29.524   14.550
LGA    Q    66_B      Q    66_B     3.469     0    0.438   0.399     4.565   50.119   43.704
LGA    D    67_B      D    67_B     2.425     0    0.360   0.939     2.726   62.857   62.857
LGA    L    68_B      L    68_B     3.023     0    0.136   0.981     3.580   57.381   54.643
LGA    K    69_B      K    69_B     1.529     0    0.030   0.758     8.009   72.976   49.683
LGA    V    70_B      V    70_B     0.628     0    0.122   1.082     2.687   88.214   81.020
LGA    E    71_B      E    71_B     0.510     0    0.065   0.723     2.543   95.238   85.926
LGA    V    72_B      V    72_B     0.795     0    0.070   1.190     3.469   90.595   80.952
LGA    K    73_B      K    73_B     0.846     0    0.521   0.702     3.977   82.262   68.783
LGA    S    74_B      S    74_B     2.821     0    0.648   0.554     6.910   65.000   49.127
LGA    I    75_B      I    75_B     4.076     0    0.147   0.211     8.299   47.143   29.881
LGA    D    76_B      D    76_B     4.006     0    0.307   0.867     5.654   35.714   31.131
LGA    I    77_B      I    77_B     4.639     0    0.025   1.013     6.431   35.714   29.881
LGA    E    78_B      E    78_B     3.701     0    0.096   0.764     5.149   35.952   38.201
LGA    Q    79_B      Q    79_B     5.848     0    0.062   1.075    11.073   25.119   12.063
LGA    Q    80_B      Q    80_B     4.453     0    0.127   1.131     5.027   31.548   44.815
LGA    P    81_B      P    81_B     6.388     0    0.265   0.383     9.482   25.357   16.395
LGA    D    82_B      D    82_B     2.407     0    0.150   0.857     6.049   65.595   50.238
LGA    G    83_B      G    83_B     1.837     0    0.563   0.563     1.837   81.548   81.548
LGA    D    84_B      D    84_B     2.274     0    0.250   0.304     3.529   66.786   58.452
LGA    V    85_B      V    85_B     1.396     0    0.052   0.956     2.726   79.286   74.286
LGA    V    86_B      V    86_B     1.090     0    0.142   1.210     3.114   83.690   77.143
LGA    I    87_B      I    87_B     1.023     0    0.088   1.150     3.313   85.952   77.738
LGA    V    88_B      V    88_B     0.742     0    0.101   0.232     1.086   88.214   90.544
LGA    K    89_B      K    89_B     0.839     0    0.135   0.785     3.541   88.214   74.074
LGA    V    90_B      V    90_B     1.390     0    0.131   1.094     3.069   79.286   73.333
LGA    K    91_B      K    91_B     1.152     0    0.043   1.134     4.593   83.690   70.741
LGA    V    92_B      V    92_B     1.125     0    0.042   0.103     1.305   81.429   81.429
LGA    R    93_B      R    93_B     1.132     0    0.019   0.688     5.860   83.690   56.840
LGA    A    94_B      A    94_B     0.980     0    0.058   0.066     1.116   83.690   85.048
LGA    T    95_B      T    95_B     1.107     0    0.037   1.009     2.332   81.429   77.959
LGA    M    96_B      M    96_B     2.201     0    0.057   0.658     4.583   68.810   55.000
LGA    V    97_B      V    97_B     3.170     0    0.200   1.003     5.952   44.167   38.980
LGA    R    98_B      R    98_B     3.561     0    0.412   1.154    11.915   48.333   26.190
LGA    Q   101_B      Q   101_B     3.283     0    0.199   1.053     5.372   53.810   42.169
LGA    E   102_B      E   102_B     1.874     0    0.039   1.172     6.471   72.976   55.767
LGA    H   103_B      H   103_B     1.686     0    0.033   0.311     2.820   77.143   66.667
LGA    V   104_B      V   104_B     1.441     0    0.058   1.112     3.789   75.000   69.864
LGA    F   105_B      F   105_B     1.896     0    0.065   0.293     5.361   75.000   52.641
LGA    E   106_B      E   106_B     1.668     0    0.090   1.029     4.732   72.857   60.847
LGA    V   107_B      V   107_B     2.230     0    0.116   1.139     3.962   68.810   62.925
LGA    V   108_B      V   108_B     1.580     0    0.090   0.090     1.997   77.143   76.531
LGA    D   109_B      D   109_B     1.266     0    0.093   0.879     3.158   85.952   76.607
LGA    T   110_B      T   110_B     0.295     0    0.145   0.889     3.064   95.238   83.742
LGA    Y   111_B      Y   111_B     0.274     0    0.056   0.248     2.507  100.000   87.222
LGA    E   112_B      E   112_B     0.657     0    0.062   0.767     3.772   90.476   74.127
LGA    F   113_B      F   113_B     0.293     0    0.018   0.245     2.004   95.238   85.887
LGA    R   114_B      R   114_B     0.747     0    0.033   1.319     7.535   90.476   65.758
LGA    R   115_B      R   115_B     0.797     0    0.629   0.704     3.568   76.429   75.022
LGA    K   116_B      K   116_B     0.572     0    0.137   0.431     4.199   90.476   78.148
LGA    G   117_B      G   117_B     0.991     0    0.044   0.044     0.991   90.476   90.476
LGA    D   118_B      D   118_B     1.422     0    0.229   0.842     5.908   81.429   61.071
LGA    S   119_B      S   119_B     1.403     0    0.106   0.588     1.867   77.143   77.143
LGA    W   120_B      W   120_B     0.678     0    0.060   0.151     1.443   90.476   88.537
LGA    K   121_B      K   121_B     0.536     0    0.054   0.717     1.411   95.238   88.571
LGA    I   122_B      I   122_B     0.210     0    0.050   0.967     2.718   92.976   82.143
LGA    V   123_B      V   123_B     0.421     0    0.146   1.101     2.988   92.976   82.381
LGA    K   124_B      K   124_B     0.893     0    0.070   0.955     6.168   90.476   68.836
LGA    L   125_B      L   125_B     0.465     0    0.150   1.249     4.196   97.619   81.964
LGA    V   126_B      V   126_B     0.555     0    0.118   1.213     2.839   92.857   83.401
LGA    S   127_B      S   127_B     0.689     0    0.080   0.119     1.058   90.476   88.968
LGA    E   128_B      E   128_B     0.937     0    0.131   0.960     4.359   79.643   63.862
LGA    I   129_B      I   129_B     2.945     0    0.101   0.118     5.159   47.619   41.190
LGA    T   130_B      T   130_B     5.526     0    0.054   0.978     6.307   25.476   23.129
LGA    Q   131_B      Q   131_B     8.307     0    0.087   1.201    12.341    5.119    2.963
LGA    L   132_B      L   132_B     9.895     0    0.596   1.014    11.414    1.190    1.190
LGA    G   133_B      G   133_B    13.322     0    0.524   0.524    16.596    0.000    0.000
LGA    S   134_B      S   134_B    18.437     0    0.770   0.676    21.976    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     3.025          3.086                  3.618           73.872   65.519

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    116    1.71    78.175    75.803     6.412

LGA_LOCAL      RMSD:   1.709  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.108  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.025  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.139154 * X  +   0.942156 * Y  +  -0.304924 * Z  + 107.553253
  Y_new =  -0.981234 * X  +   0.172689 * Y  +   0.085781 * Z  +  17.428114
  Z_new =   0.133476 * X  +   0.287265 * Y  +   0.948506 * Z  +  -5.100531 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.429920 -0.133875  0.294079   [DEG:  -81.9284   -7.6705   16.8495 ]
ZXZ: -1.845028  0.322312  0.434965   [DEG: -105.7123   18.4671   24.9216 ]
 
# END of job
