
#######################################################
#                                                     #
#                        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       1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.76     1.76
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49       3_B - 51_B        1.00     1.84
  LCS_AVERAGE:     31.63

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     27  124  124      6   52   83  102  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     27  124  124     16   75  102  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     49  124  124     44   97  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     49  124  124     48   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     49  124  124     53   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     49  124  124     56   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     49  124  124     66   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     49  124  124     63   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     49  124  124     63   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     49  124  124     58   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     49  124  124     51   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     49  124  124      3   80  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     49  124  124      3    5   46  104  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B     49  124  124      3    5   17   73  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B     49  124  124      3    3   24  106  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     49  124  124      3   44   98  106  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     49  124  124     53   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     49  124  124     26   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     49  124  124     58   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     49  124  124     32   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     49  124  124     66   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     49  124  124     34   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     49  124  124      6   86  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     49  124  124     65   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     49  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     49  124  124     58   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     49  124  124     66   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     21  124  124      3   10   70   98  108  113  115  118  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B      3  124  124      1    6    8   30   50  100  112  116  118  121  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     45  124  124      3    7   11   65  100  110  115  117  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     45  124  124     12   96  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     45  124  124     66   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     45  124  124     53   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     45  124  124     36   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     45  124  124     36   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     45  124  124     53   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     45  124  124     63   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     45  124  124     63   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     45  124  124     63   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     45  124  124     53   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     45  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     45  124  124     26   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     45  124  124     26   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     45  124  124     36   97  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     45  124  124      3   24   57   78  109  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B      4  124  124      0    3   26   71   99  110  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      4  124  124      3    3    4   12   75  106  114  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      4  124  124      3    5    7   11   47   92  111  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      4  124  124      4    5   17   38   86  108  114  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      4  124  124      4   31   70  100  109  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B      4  124  124      4    5    5    5   91  105  110  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B      3  124  124      3    5   15   59   89  110  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B      8  124  124      3    7   10   22   51   81  112  117  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     18  124  124      5   23   96  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     18  124  124     60   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     18  124  124     33   95  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     18  124  124     62   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     18  124  124     53   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     18  124  124     67   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     18  124  124     29   99  105  107  110  114  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  77.21  (  31.63  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     67     99    105    107    110    114    115    119    121    123    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  54.03  79.84  84.68  86.29  88.71  91.94  92.74  95.97  97.58  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    0.31   0.49   0.59   0.67   0.83   1.03   1.08   1.45   1.54   1.68   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76
GDT RMS_ALL_AT   1.84   1.87   1.86   1.85   1.83   1.80   1.80   1.77   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76   1.76

# Checking swapping
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  Y   100_B      Y   100_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  F   106_B      F   106_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     3.297     0    0.585   1.135    10.875   50.476   25.397
LGA    V     2_B      V     2_B     2.281     0    0.116   1.171     3.770   66.905   61.837
LGA    Q     3_B      Q     3_B     1.175     0    0.077   1.041     6.656   88.333   61.958
LGA    L     4_B      L     4_B     0.433     0    0.049   0.081     0.822   92.857   91.667
LGA    V     5_B      V     5_B     0.570     0    0.037   0.805     2.272   90.476   83.129
LGA    E     6_B      E     6_B     0.495     0    0.015   0.337     1.237   92.857   91.640
LGA    S     7_B      S     7_B     0.804     0    0.052   0.083     1.323   92.857   89.048
LGA    G     8_B      G     8_B     0.289     0    0.725   0.725     2.971   84.524   84.524
LGA    G     9_B      G     9_B     0.750     0    0.106   0.106     1.405   85.952   85.952
LGA    G    10_B      G    10_B     0.914     0    0.032   0.032     0.914   92.857   92.857
LGA    S    11_B      S    11_B     0.576     0    0.046   0.070     0.694   90.476   93.651
LGA    V    12_B      V    12_B     0.522     0    0.096   1.155     2.871   90.476   83.401
LGA    Q    13_B      Q    13_B     0.591     0    0.060   0.720     3.312   92.857   80.317
LGA    A    14_B      A    14_B     0.444     0    0.029   0.039     0.478  100.000  100.000
LGA    G    15_B      G    15_B     0.425     0    0.057   0.057     0.545   95.238   95.238
LGA    G    16_B      G    16_B     0.647     0    0.049   0.049     0.671   95.238   95.238
LGA    S    17_B      S    17_B     0.204     0    0.046   0.670     2.393  100.000   94.127
LGA    L    18_B      L    18_B     0.267     0    0.059   0.934     3.899  100.000   86.012
LGA    R    19_B      R    19_B     0.174     0    0.054   0.208     1.020  100.000   95.714
LGA    L    20_B      L    20_B     0.207     0    0.038   0.063     0.267  100.000  100.000
LGA    S    21_B      S    21_B     0.395     0    0.057   0.077     0.529  100.000   96.825
LGA    C    22_B      C    22_B     0.497     0    0.052   0.062     0.982   95.238   93.651
LGA    A    23_B      A    23_B     0.512     0    0.069   0.120     0.726   95.238   94.286
LGA    A    24_B      A    24_B     0.359     0    0.041   0.081     0.481  100.000  100.000
LGA    S    25_B      S    25_B     0.765     0    0.483   0.539     3.922   76.667   76.825
LGA    G    26_B      G    26_B     1.490     0    0.428   0.428     2.084   79.524   79.524
LGA    S    27_B      S    27_B     1.819     0    0.098   0.500     2.136   72.976   71.587
LGA    T    28_B      T    28_B     2.933     0    0.029   1.056     5.610   57.143   48.163
LGA    V    29_B      V    29_B     3.113     0    0.299   1.375     3.961   53.571   51.088
LGA    S    30_B      S    30_B     2.800     0    0.144   0.547     3.415   65.357   61.429
LGA    A    31_B      A    31_B     2.095     0    0.054   0.053     2.979   64.881   63.333
LGA    Y    32_B      Y    32_B     1.416     0    0.087   0.599     3.802   79.286   64.921
LGA    Y    33_B      Y    33_B     1.456     0    0.165   0.345     2.283   79.286   72.302
LGA    M    34_B      M    34_B     0.938     0    0.073   0.744     2.816   83.690   79.524
LGA    A    35_B      A    35_B     1.003     0    0.058   0.070     1.003   88.214   86.857
LGA    W    36_B      W    36_B     0.343     0    0.018   0.068     0.488  100.000  100.000
LGA    F    37_B      F    37_B     0.170     0    0.057   0.164     1.251  100.000   93.160
LGA    R    38_B      R    38_B     0.196     0    0.036   1.181     2.923  100.000   87.143
LGA    Q    39_B      Q    39_B     0.456     0    0.092   0.173     0.793   97.619   94.709
LGA    A    40_B      A    40_B     0.703     0    0.090   0.102     0.914   90.476   90.476
LGA    P    41_B      P    41_B     1.168     0    0.031   0.365     1.729   81.548   80.272
LGA    G    42_B      G    42_B     1.661     0    0.106   0.106     2.078   72.976   72.976
LGA    K    43_B      K    43_B     0.656     0    0.045   0.675     2.175   90.476   82.804
LGA    G    44_B      G    44_B     0.789     0    0.069   0.069     0.789   92.857   92.857
LGA    R    45_B      R    45_B     0.625     0    0.058   0.227     1.535   90.476   87.229
LGA    E    46_B      E    46_B     0.566     0    0.047   0.742     1.697   95.238   88.624
LGA    G    47_B      G    47_B     0.433     0    0.037   0.037     0.815   95.238   95.238
LGA    V    48_B      V    48_B     0.382     0    0.050   0.110     0.480  100.000  100.000
LGA    A    49_B      A    49_B     0.457     0    0.025   0.041     0.661   95.238   96.190
LGA    V    50_B      V    50_B     1.035     0    0.056   1.205     3.713   83.690   73.810
LGA    I    51_B      I    51_B     0.964     0    0.072   1.005     3.092   73.929   68.452
LGA    G    52_B      G    52_B     3.975     0    0.648   0.648     7.282   34.167   34.167
LGA    G    53_B      G    53_B     6.088     0    0.416   0.416     6.088   34.405   34.405
LGA    S    54_B      S    54_B     4.505     0    0.576   0.713     7.615   29.048   22.778
LGA    G    55_B      G    55_B     1.502     0    0.031   0.031     1.919   75.000   75.000
LGA    V    56_B      V    56_B     0.927     0    0.068   1.015     2.810   90.476   83.197
LGA    Y    57_B      Y    57_B     0.796     0    0.056   0.074     0.975   90.476   93.651
LGA    A    58_B      A    58_B     0.880     0    0.074   0.076     0.880   90.476   90.476
LGA    D    59_B      D    59_B     0.863     0    0.031   1.011     2.867   90.476   79.940
LGA    A    60_B      A    60_B     0.668     0    0.091   0.089     1.042   88.214   88.667
LGA    V    61_B      V    61_B     0.377     0    0.073   0.135     0.478  100.000  100.000
LGA    K    62_B      K    62_B     0.530     0    0.037   0.597     1.538   95.238   88.624
LGA    G    63_B      G    63_B     0.359     0    0.126   0.126     0.811   97.619   97.619
LGA    R    64_B      R    64_B     0.285     0    0.045   0.881     1.980  100.000   87.446
LGA    F    65_B      F    65_B     0.226     0    0.054   0.222     0.640  100.000   96.537
LGA    T    66_B      T    66_B     0.440     0    0.047   0.072     0.557   95.238   97.279
LGA    I    67_B      I    67_B     0.743     0    0.017   0.113     0.945   90.476   90.476
LGA    S    68_B      S    68_B     0.978     0    0.050   0.146     1.173   85.952   87.460
LGA    Q    69_B      Q    69_B     1.351     0    0.127   1.055     4.161   79.286   69.206
LGA    D    70_B      D    70_B     1.147     0    0.030   0.178     1.161   81.429   82.560
LGA    N    71_B      N    71_B     1.318     0    0.080   0.869     3.454   81.429   72.262
LGA    A    72_B      A    72_B     0.804     0    0.122   0.121     1.051   90.595   90.571
LGA    K    73_B      K    73_B     0.432     0    0.108   0.702     2.241   92.857   89.894
LGA    N    74_B      N    74_B     0.656     0    0.043   0.704     3.113   90.476   82.083
LGA    T    75_B      T    75_B     0.647     0    0.046   0.091     0.872   90.476   94.558
LGA    L    76_B      L    76_B     0.849     0    0.071   0.647     3.179   92.857   85.476
LGA    Y    77_B      Y    77_B     0.525     0    0.034   0.106     0.725   90.476   90.476
LGA    L    78_B      L    78_B     0.398     0    0.036   0.105     0.599  100.000   97.619
LGA    Q    79_B      Q    79_B     0.222     0    0.009   0.963     4.549  100.000   82.646
LGA    M    80_B      M    80_B     0.179     0    0.066   0.113     0.380  100.000  100.000
LGA    N    81_B      N    81_B     0.134     0    0.020   0.105     0.498  100.000  100.000
LGA    S    82_B      S    82_B     0.170     0    0.041   0.679     1.926  100.000   95.476
LGA    L    83_B      L    83_B     0.315     0    0.032   0.640     1.709  100.000   91.905
LGA    K    84_B      K    84_B     0.315     0    0.031   0.640     1.711  100.000   92.804
LGA    P    85_B      P    85_B     0.262     0    0.094   0.275     0.808  100.000   98.639
LGA    E    86_B      E    86_B     0.212     0    0.071   0.806     3.031  100.000   86.667
LGA    D    87_B      D    87_B     0.195     0    0.048   0.168     0.591  100.000   98.810
LGA    T    88_B      T    88_B     0.260     0    0.023   0.103     0.506  100.000   98.639
LGA    A    89_B      A    89_B     0.284     0    0.058   0.074     0.536  100.000   98.095
LGA    M    90_B      M    90_B     0.238     0    0.035   0.951     4.670  100.000   86.071
LGA    Y    91_B      Y    91_B     0.223     0    0.031   0.106     0.291  100.000  100.000
LGA    Y    92_B      Y    92_B     0.210     0    0.028   0.079     0.383  100.000  100.000
LGA    C    93_B      C    93_B     0.473     0    0.042   0.128     0.938  100.000   96.825
LGA    A    94_B      A    94_B     0.533     0    0.067   0.068     0.967   90.476   90.476
LGA    A    95_B      A    95_B     1.053     0    0.072   0.078     1.118   85.952   85.048
LGA    Y    96_B      Y    96_B     1.323     0    0.045   0.189     1.891   79.286   75.000
LGA    W    97_B      W    97_B     1.549     0    0.624   1.529    11.188   69.286   35.952
LGA    K    98_B      K    98_B     3.762     0    0.641   0.661    15.667   48.452   23.545
LGA    G    99_B      G    99_B     4.434     0    0.735   0.735     5.902   35.000   35.000
LGA    Y   100_B      Y   100_B     5.057     0    0.646   1.349    14.370   31.548   13.810
LGA    K   101_B      K   101_B     6.600     0    0.380   0.868    13.183   19.524    9.206
LGA    Y   102_B      Y   102_B     5.316     0    0.064   1.270     5.875   29.048   39.921
LGA    H   103_B      H   103_B     3.116     0    0.493   0.860     4.120   48.571   64.095
LGA    P   104_B      P   104_B     4.813     0    0.645   0.776     8.550   37.262   25.578
LGA    K   105_B      K   105_B     4.507     0    0.595   1.063     6.618   31.310   32.698
LGA    F   106_B      F   106_B     4.498     0    0.661   1.275    13.982   50.357   20.173
LGA    D   107_B      D   107_B     2.360     0    0.196   0.971     3.405   67.262   62.262
LGA    D   108_B      D   108_B     0.863     0    0.054   0.973     3.477   85.952   75.774
LGA    S   109_B      S   109_B     1.646     0    0.047   0.664     3.388   75.000   69.127
LGA    A   110_B      A   110_B     0.949     0    0.071   0.072     1.151   88.214   88.667
LGA    Y   111_B      Y   111_B     0.542     0    0.065   0.156     0.800   90.476   94.444
LGA    E   112_B      E   112_B     0.566     0    0.061   0.781     3.021   95.238   85.132
LGA    Y   113_B      Y   113_B     0.432     0    0.015   0.185     1.568   97.619   89.127
LGA    W   114_B      W   114_B     0.258     0    0.051   0.059     0.667  100.000   95.238
LGA    G   115_B      G   115_B     0.182     0    0.059   0.059     0.490  100.000  100.000
LGA    Q   116_B      Q   116_B     0.174     0    0.092   1.091     3.197   95.238   78.942
LGA    G   117_B      G   117_B     0.824     0    0.115   0.115     1.008   88.214   88.214
LGA    T   118_B      T   118_B     0.372     0    0.033   0.875     1.929  100.000   90.884
LGA    Q   119_B      Q   119_B     0.451     0    0.027   0.120     0.568  100.000   98.942
LGA    V   120_B      V   120_B     0.418     0    0.041   0.053     0.655  100.000   98.639
LGA    T   121_B      T   121_B     0.375     0    0.027   0.074     0.710  100.000   95.918
LGA    V   122_B      V   122_B     0.215     0    0.100   0.110     0.536   97.619   98.639
LGA    S   123_B      S   123_B     0.274     0    0.071   0.707     2.653  100.000   92.857
LGA    S   124_B      S   124_B     0.776     0    0.544   0.694     2.108   86.071   81.746

# 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):     1.762          1.741                  2.710           85.108   80.645

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    119    1.45    90.524    94.288     7.664

LGA_LOCAL      RMSD:   1.453  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.769  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.762  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.022983 * X  +   0.071845 * Y  +   0.997151 * Z  + -12.690770
  Y_new =   0.847436 * X  +   0.527768 * Y  +  -0.057558 * Z  + -51.227211
  Z_new =  -0.530400 * X  +   0.846344 * Y  +  -0.048754 * Z  +  -4.812482 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.543682  0.559072  1.628338   [DEG:   88.4465   32.0325   93.2969 ]
ZXZ:  1.513138  1.619570 -0.559817   [DEG:   86.6964   92.7945  -32.0752 ]
 
# END of job
