
#######################################################
#                                                     #
#                        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  124 (  941),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  941),  selected  124 , 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:   124       1_B - 124_B       1.78     1.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.78     1.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66      32_B - 97_B        0.98     2.01
  LONGEST_CONTINUOUS_SEGMENT:    66      33_B - 98_B        0.96     2.06
  LCS_AVERAGE:     36.62

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     Q     1_B     Q     1_B     29  124  124     25   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     29  124  124     31   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     29  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     29  124  124     68   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     29  124  124     53   90  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     29  124  124      3   79  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     29  124  124      3    3   26  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     29  124  124      3    3   12   29   74  111  114  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B     29  124  124      3   29   99  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B      7  124  124      4   31   89  105  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     21  124  124      4   34   78  103  110  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     66  124  124     13   73   98  106  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     66  124  124     58   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     66  124  124     12   89  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     66  124  124      8   71   99  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     66  124  124     30   88   99  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     66  124  124     48   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     66  124  124     65   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     66  124  124     67   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     66  124  124      3   13   53  105  111  113  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B     66  124  124      3    3    6    6   98  107  114  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     66  124  124      3    3    3   32  108  113  114  118  120  122  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     66  124  124     11   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     66  124  124     26   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     66  124  124     60   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     66  124  124     43   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     66  124  124     40   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     66  124  124     22   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     66  124  124     52   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     66  124  124     63   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     66  124  124     63   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     66  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     66  124  124     61   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     66  124  124     26   90   99  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     66  124  124      3   21   91  107  111  113  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B     46  124  124      3    5   15   74  110  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      4  124  124      3    5    6    6   11   44  109  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      4  124  124      3    5    6   27   45   89  111  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      5  124  124      3    9   24   33   87  109  115  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      5  124  124      3    4    5   36   50   67  115  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B      5  124  124      3    6    8   30   45   67   92  117  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B      5  124  124      3   58   96  105  110  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B     10  124  124      7   53   98  106  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     10  124  124      9   85  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     10  124  124      4   72  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     10  124  124      4   10   58   97  108  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     15  124  124      3   23   70  101  110  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     15  124  124     41   90  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     15  124  124     60   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     15  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     15  124  124     65   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     15  124  124     23   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     15  124  124     15   88  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     15  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     15  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     15  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     15  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     15  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     15  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     15  124  124     71   91  100  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     15  124  124      6   67   99  107  111  114  116  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  78.87  (  36.62  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     71     91    100    107    111    114    116    118    120    123    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  57.26  73.39  80.65  86.29  89.52  91.94  93.55  95.16  96.77  99.19 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.48   0.63   0.80   0.91   1.09   1.15   1.26   1.40   1.75   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78
GDT RMS_ALL_AT   1.89   1.87   1.85   1.89   1.88   1.80   1.81   1.83   1.82   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78   1.78

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    77_B      Y    77_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.200     0    0.096   1.341     6.084   81.429   62.381
LGA    V     2_B      V     2_B     1.079     0    0.026   0.953     3.126   83.690   78.231
LGA    Q     3_B      Q     3_B     0.384     0    0.039   0.940     5.284   95.238   75.556
LGA    L     4_B      L     4_B     0.481     0    0.036   0.067     0.659   97.619   95.238
LGA    V     5_B      V     5_B     0.362     0    0.035   0.089     0.493  100.000  100.000
LGA    E     6_B      E     6_B     0.221     0    0.062   0.770     2.519   97.619   87.143
LGA    S     7_B      S     7_B     0.349     0    0.043   0.055     0.426  100.000  100.000
LGA    G     8_B      G     8_B     0.383     0    0.077   0.077     0.629   97.619   97.619
LGA    G     9_B      G     9_B     0.280     0    0.128   0.128     1.055   95.357   95.357
LGA    G    10_B      G    10_B     0.305     0    0.017   0.017     0.465  100.000  100.000
LGA    S    11_B      S    11_B     0.372     0    0.072   0.720     2.250   97.619   92.540
LGA    V    12_B      V    12_B     0.482     0    0.129   1.028     2.290   97.619   87.211
LGA    Q    13_B      Q    13_B     0.299     0    0.030   0.869     2.664  100.000   86.402
LGA    A    14_B      A    14_B     0.087     0    0.022   0.035     0.190  100.000  100.000
LGA    G    15_B      G    15_B     0.315     0    0.039   0.039     0.370  100.000  100.000
LGA    G    16_B      G    16_B     0.271     0    0.022   0.022     0.354  100.000  100.000
LGA    S    17_B      S    17_B     0.229     0    0.065   0.676     2.571  100.000   92.857
LGA    L    18_B      L    18_B     0.525     0    0.030   0.647     2.363   95.238   87.440
LGA    R    19_B      R    19_B     0.358     0    0.015   1.222     5.996  100.000   80.606
LGA    L    20_B      L    20_B     0.314     0    0.020   0.118     0.498  100.000  100.000
LGA    S    21_B      S    21_B     0.359     0    0.100   0.670     1.681   97.619   92.302
LGA    C    22_B      C    22_B     0.561     0    0.029   0.098     0.981   92.857   92.063
LGA    A    23_B      A    23_B     0.656     0    0.046   0.060     0.658   92.857   92.381
LGA    A    24_B      A    24_B     0.775     0    0.026   0.036     1.222   88.214   86.857
LGA    S    25_B      S    25_B     1.107     0    0.037   0.614     2.435   85.952   81.667
LGA    G    26_B      G    26_B     1.718     0    0.644   0.644     2.106   72.976   72.976
LGA    S    27_B      S    27_B     2.879     0    0.650   0.812     5.174   45.952   43.333
LGA    T    28_B      T    28_B     4.822     0    0.274   1.206     8.832   43.690   29.184
LGA    V    29_B      V    29_B     2.097     0    0.210   1.155     5.764   67.262   59.048
LGA    S    30_B      S    30_B     2.379     0    0.036   0.089     3.774   61.429   62.619
LGA    A    31_B      A    31_B     3.368     0    0.186   0.179     4.475   54.048   50.667
LGA    Y    32_B      Y    32_B     1.954     0    0.032   0.222     7.232   75.119   47.857
LGA    Y    33_B      Y    33_B     0.643     0    0.059   0.962     8.293   88.333   57.778
LGA    M    34_B      M    34_B     0.237     0    0.065   0.557     2.168  100.000   93.214
LGA    A    35_B      A    35_B     0.451     0    0.056   0.060     0.501   97.619   98.095
LGA    W    36_B      W    36_B     0.384     0    0.039   0.174     0.655  100.000   96.599
LGA    F    37_B      F    37_B     0.407     0    0.013   1.153     6.194   97.619   67.186
LGA    R    38_B      R    38_B     0.581     0    0.056   0.544     1.554   95.238   89.784
LGA    Q    39_B      Q    39_B     0.329     0    0.032   0.197     0.691  100.000   98.942
LGA    A    40_B      A    40_B     0.691     0    0.045   0.042     1.010   90.476   88.667
LGA    P    41_B      P    41_B     1.394     0    0.018   0.333     2.181   77.143   76.599
LGA    G    42_B      G    42_B     2.185     0    0.153   0.153     2.841   64.881   64.881
LGA    K    43_B      K    43_B     1.703     0    0.040   0.591     2.246   77.143   75.820
LGA    G    44_B      G    44_B     1.220     0    0.115   0.115     1.402   83.690   83.690
LGA    R    45_B      R    45_B     0.718     0    0.048   0.656     2.052   88.214   80.866
LGA    E    46_B      E    46_B     0.749     0    0.026   0.201     1.114   90.476   89.471
LGA    G    47_B      G    47_B     0.534     0    0.042   0.042     0.607   90.476   90.476
LGA    V    48_B      V    48_B     0.430     0    0.021   0.053     0.527  100.000   98.639
LGA    A    49_B      A    49_B     0.421     0    0.017   0.021     0.519  100.000   98.095
LGA    V    50_B      V    50_B     0.592     0    0.054   0.070     0.715   92.857   91.837
LGA    I    51_B      I    51_B     0.546     0    0.048   1.025     2.711   81.786   76.488
LGA    G    52_B      G    52_B     2.783     0    0.312   0.312     5.282   49.881   49.881
LGA    G    53_B      G    53_B     4.388     0    0.628   0.628     4.388   46.905   46.905
LGA    S    54_B      S    54_B     3.640     0    0.553   0.840     5.641   36.310   36.667
LGA    G    55_B      G    55_B     1.239     0    0.031   0.031     1.574   79.286   79.286
LGA    V    56_B      V    56_B     0.702     0    0.031   0.075     1.084   92.857   90.544
LGA    Y    57_B      Y    57_B     0.368     0    0.051   0.190     0.713   97.619   98.413
LGA    A    58_B      A    58_B     0.619     0    0.007   0.012     0.703   92.857   92.381
LGA    D    59_B      D    59_B     0.910     0    0.027   0.129     1.377   90.476   87.083
LGA    A    60_B      A    60_B     1.189     0    0.015   0.021     1.330   81.429   81.429
LGA    V    61_B      V    61_B     0.780     0    0.023   0.107     0.882   90.476   90.476
LGA    K    62_B      K    62_B     0.571     0    0.017   0.621     2.012   90.476   85.608
LGA    G    63_B      G    63_B     0.814     0    0.011   0.011     1.030   88.214   88.214
LGA    R    64_B      R    64_B     0.726     0    0.025   0.219     1.612   90.476   85.628
LGA    F    65_B      F    65_B     0.477     0    0.012   0.065     0.818   97.619   93.939
LGA    T    66_B      T    66_B     0.428     0    0.037   0.112     0.646  100.000   97.279
LGA    I    67_B      I    67_B     0.458     0    0.031   0.090     0.644  100.000   97.619
LGA    S    68_B      S    68_B     0.494     0    0.008   0.104     0.527   95.238   95.238
LGA    Q    69_B      Q    69_B     0.564     0    0.082   0.119     0.939   92.857   92.593
LGA    D    70_B      D    70_B     0.283     0    0.084   0.083     0.692   97.619   96.429
LGA    N    71_B      N    71_B     0.203     0    0.011   1.095     2.725  100.000   90.060
LGA    A    72_B      A    72_B     0.430     0    0.044   0.046     0.785  100.000   98.095
LGA    K    73_B      K    73_B     0.439     0    0.095   1.049     3.121  100.000   89.259
LGA    N    74_B      N    74_B     0.463     0    0.024   0.728     2.276   97.619   90.833
LGA    T    75_B      T    75_B     0.427     0    0.062   0.060     0.524   97.619   98.639
LGA    L    76_B      L    76_B     0.456     0    0.061   0.735     2.617   95.238   87.619
LGA    Y    77_B      Y    77_B     0.301     0    0.025   0.164     0.417  100.000  100.000
LGA    L    78_B      L    78_B     0.315     0    0.017   0.050     0.423  100.000  100.000
LGA    Q    79_B      Q    79_B     0.390     0    0.046   0.937     4.525  100.000   84.550
LGA    M    80_B      M    80_B     0.540     0    0.044   0.108     0.884   95.238   92.857
LGA    N    81_B      N    81_B     0.350     0    0.042   0.287     1.100   97.619   96.488
LGA    S    82_B      S    82_B     0.249     0    0.023   0.026     0.368  100.000  100.000
LGA    L    83_B      L    83_B     0.353     0    0.061   0.050     0.395  100.000  100.000
LGA    K    84_B      K    84_B     0.306     0    0.026   0.702     2.121  100.000   88.942
LGA    P    85_B      P    85_B     0.697     0    0.044   0.036     0.810   90.476   90.476
LGA    E    86_B      E    86_B     0.770     0    0.014   1.026     3.228   90.476   82.011
LGA    D    87_B      D    87_B     0.541     0    0.023   0.083     0.596   90.476   95.238
LGA    T    88_B      T    88_B     0.631     0    0.032   0.103     0.853   90.476   90.476
LGA    A    89_B      A    89_B     0.662     0    0.030   0.032     0.703   95.238   94.286
LGA    M    90_B      M    90_B     0.391     0    0.036   0.227     1.039   97.619   95.298
LGA    Y    91_B      Y    91_B     0.280     0    0.033   0.111     0.626  100.000   99.206
LGA    Y    92_B      Y    92_B     0.349     0    0.020   0.048     0.876  100.000   93.651
LGA    C    93_B      C    93_B     0.360     0    0.021   0.142     0.781  100.000   98.413
LGA    A    94_B      A    94_B     0.342     0    0.031   0.029     0.589   97.619   98.095
LGA    A    95_B      A    95_B     0.407     0    0.089   0.128     0.549  100.000   98.095
LGA    Y    96_B      Y    96_B     0.759     0    0.067   0.526     1.496   85.952   82.937
LGA    W    97_B      W    97_B     1.674     0    0.602   1.572     6.943   69.286   50.272
LGA    K    98_B      K    98_B     2.705     0    0.647   0.676    12.711   61.190   32.328
LGA    G    99_B      G    99_B     3.763     0    0.380   0.380     6.145   42.024   42.024
LGA    Y   100_B      Y   100_B     6.397     0    0.375   1.159    14.145   14.048    6.865
LGA    K   101_B      K   101_B     6.828     0    0.250   0.676    10.576   11.310    7.090
LGA    Y   102_B      Y   102_B     6.334     0    0.062   1.353    15.764   22.738    8.333
LGA    H   103_B      H   103_B     5.139     0    0.351   0.951    10.527   35.238   20.095
LGA    P   104_B      P   104_B     6.924     0    0.362   0.512    10.527   15.476    9.456
LGA    K   105_B      K   105_B     2.526     0    0.341   0.927     4.622   57.500   53.968
LGA    F   106_B      F   106_B     1.830     0    0.573   1.036     6.974   63.095   47.403
LGA    D   107_B      D   107_B     1.595     0    0.135   0.311     2.843   77.143   71.012
LGA    D   108_B      D   108_B     1.563     0    0.011   0.980     2.508   70.952   70.000
LGA    S   109_B      S   109_B     3.788     0    0.052   0.054     4.598   43.810   39.683
LGA    A   110_B      A   110_B     3.524     0    0.152   0.164     3.867   48.452   47.429
LGA    Y   111_B      Y   111_B     0.994     0    0.027   0.302     1.692   79.405   89.960
LGA    E   112_B      E   112_B     0.573     0    0.030   0.726     2.225   90.476   84.656
LGA    Y   113_B      Y   113_B     0.431     0    0.022   0.116     1.326  100.000   92.183
LGA    W   114_B      W   114_B     0.622     0    0.058   1.157     6.892   88.214   66.327
LGA    G   115_B      G   115_B     0.826     0    0.117   0.117     0.826   90.476   90.476
LGA    Q   116_B      Q   116_B     1.207     0    0.630   1.305     4.123   70.476   66.825
LGA    G   117_B      G   117_B     0.435     0    0.030   0.030     0.435  100.000  100.000
LGA    T   118_B      T   118_B     0.260     0    0.060   0.219     1.272   97.619   93.265
LGA    Q   119_B      Q   119_B     0.235     0    0.017   0.898     3.454  100.000   85.767
LGA    V   120_B      V   120_B     0.443     0    0.026   0.049     0.521  100.000   98.639
LGA    T   121_B      T   121_B     0.465     0    0.038   0.118     0.677  100.000   97.279
LGA    V   122_B      V   122_B     0.543     0    0.098   0.104     0.670   90.476   91.837
LGA    S   123_B      S   123_B     0.647     0    0.118   0.790     2.316   90.476   87.778
LGA    S   124_B      S   124_B     1.809     0    0.509   0.541     2.722   71.071   70.317

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     941    941  100.00               124
SUMMARY(RMSD_GDC):     1.780          1.819                  2.730           85.211   80.557

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    118    1.26    88.710    93.495     8.665

LGA_LOCAL      RMSD:   1.262  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.825  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.780  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.526133 * X  +  -0.525466 * Y  +   0.668632 * Z  +  14.401079
  Y_new =   0.507473 * X  +  -0.436914 * Y  +  -0.742683 * Z  + -34.533470
  Z_new =   0.682389 * X  +   0.730063 * Y  +   0.036785 * Z  +   5.710686 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.767347 -0.751026  1.520452   [DEG:   43.9657  -43.0306   87.1155 ]
ZXZ:  0.732977  1.534003  0.751659   [DEG:   41.9965   87.8919   43.0669 ]
 
# END of job
