
#######################################################
#                                                     #
#                        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       1.87     1.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.87     1.87
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    98       1_B - 98_B        0.96     2.03
  LCS_AVERAGE:     65.21

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     98  124  124      3   57  102  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     98  124  124     73  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     98  124  124     74  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     98  124  124     73  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     98  124  124     73  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     98  124  124     73  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     98  124  124     67  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     98  124  124     22  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     98  124  124     61  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     98  124  124     63  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     98  124  124     20  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B     98  124  124     25  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B     98  124  124     25  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     98  124  124     65  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     98  124  124     30  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     98  124  124     66  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     98  124  124     15  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     98  124  124     12   40  104  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     98  124  124     20  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     98  124  124     31  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     98  124  124     64  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     98  124  124     73  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     98  124  124     73  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     98  124  124      3    8   48  104  113  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B     98  124  124      3    3    5    6   25  111  114  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     98  124  124      3    4    4   57  108  115  117  117  118  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     98  124  124      6   87  108  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     98  124  124     75  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     98  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     98  124  124     47  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     98  124  124     30  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     98  124  124     57  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     98  124  124      5    8   90  110  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B      3  124  124      3    3    3    4    6    7   24   66  116  119  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      4  124  124      3    4    4   12   20   28   38   54   63   74  115  121  123  123  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      4  124  124      3    5   20   40   58   85  113  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      4  124  124      5   12   32   57  102  115  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      4  124  124      3   12   34   60  103  115  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B      3  124  124      3    3    4   22   52   77  113  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B     20  124  124      3   22   60  108  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B     20  124  124      3   62  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     20  124  124     17  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     20  124  124     20   89  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     20  124  124     10   55  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     20  124  124     34  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     20  124  124     72  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     20  124  124     78  100  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     20  124  124     12   94  110  113  115  116  117  118  119  120  121  122  123  123  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  88.40  (  65.21  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     78    100    110    113    115    116    117    118    119    120    121    122    123    123    124    124    124    124    124    124 
GDT PERCENT_AT  62.90  80.65  88.71  91.13  92.74  93.55  94.35  95.16  95.97  96.77  97.58  98.39  99.19  99.19 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.46   0.63   0.69   0.79   0.84   0.91   1.06   1.35   1.21   1.36   1.50   1.63   1.63   1.87   1.87   1.87   1.87   1.87   1.87
GDT RMS_ALL_AT   1.99   1.98   1.94   1.94   1.93   1.94   1.96   1.91   1.87   1.92   1.90   1.88   1.87   1.87   1.87   1.87   1.87   1.87   1.87   1.87

# Checking swapping
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  Y   100_B      Y   100_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     2.058     0    0.598   1.548     4.460   69.048   55.079
LGA    V     2_B      V     2_B     0.568     0    0.151   1.034     3.141   88.214   80.884
LGA    Q     3_B      Q     3_B     0.550     0    0.048   0.941     3.827   95.238   80.794
LGA    L     4_B      L     4_B     0.306     0    0.048   0.081     0.543  100.000   98.810
LGA    V     5_B      V     5_B     0.575     0    0.044   1.039     2.934   92.857   83.401
LGA    E     6_B      E     6_B     0.543     0    0.013   0.592     1.542   90.476   89.577
LGA    S     7_B      S     7_B     0.639     0    0.029   0.684     1.664   90.476   87.540
LGA    G     8_B      G     8_B     0.845     0    0.048   0.048     1.053   88.214   88.214
LGA    G     9_B      G     9_B     0.777     0    0.096   0.096     1.056   88.214   88.214
LGA    G    10_B      G    10_B     0.310     0    0.027   0.027     0.396  100.000  100.000
LGA    S    11_B      S    11_B     0.127     0    0.061   0.095     0.284  100.000  100.000
LGA    V    12_B      V    12_B     0.261     0    0.074   0.133     0.414  100.000  100.000
LGA    Q    13_B      Q    13_B     0.420     0    0.047   0.505     2.381   97.619   87.778
LGA    A    14_B      A    14_B     0.267     0    0.043   0.049     0.307  100.000  100.000
LGA    G    15_B      G    15_B     0.319     0    0.092   0.092     0.401  100.000  100.000
LGA    G    16_B      G    16_B     0.566     0    0.047   0.047     0.675   95.238   95.238
LGA    S    17_B      S    17_B     0.373     0    0.037   0.669     2.352   97.619   92.540
LGA    L    18_B      L    18_B     0.468     0    0.083   1.373     2.813   97.619   84.583
LGA    R    19_B      R    19_B     0.428     0    0.071   1.236     5.614   95.238   75.325
LGA    L    20_B      L    20_B     0.481     0    0.025   0.071     0.817  100.000   95.238
LGA    S    21_B      S    21_B     0.495     0    0.040   0.656     1.533  100.000   93.889
LGA    C    22_B      C    22_B     0.400     0    0.037   0.042     0.722  100.000   96.825
LGA    A    23_B      A    23_B     0.312     0    0.062   0.108     0.416  100.000  100.000
LGA    A    24_B      A    24_B     0.284     0    0.020   0.042     0.561   97.619   98.095
LGA    S    25_B      S    25_B     0.924     0    0.070   0.663     3.232   92.857   83.810
LGA    G    26_B      G    26_B     0.950     0    0.466   0.466     2.572   77.619   77.619
LGA    S    27_B      S    27_B     1.059     0    0.067   0.727     2.940   81.429   78.889
LGA    T    28_B      T    28_B     1.289     0    0.065   0.998     3.491   81.429   73.469
LGA    V    29_B      V    29_B     1.036     0    0.045   0.086     1.215   81.429   81.429
LGA    S    30_B      S    30_B     1.147     0    0.048   0.119     1.284   85.952   84.444
LGA    A    31_B      A    31_B     0.248     0    0.111   0.114     1.104   90.595   92.476
LGA    Y    32_B      Y    32_B     0.533     0    0.047   0.229     1.169   92.857   91.310
LGA    Y    33_B      Y    33_B     1.017     0    0.208   0.543     4.361   85.952   68.532
LGA    M    34_B      M    34_B     0.534     0    0.063   0.486     2.468   92.857   88.452
LGA    A    35_B      A    35_B     0.397     0    0.013   0.027     0.522   97.619   98.095
LGA    W    36_B      W    36_B     0.383     0    0.025   0.123     0.613   97.619   97.959
LGA    F    37_B      F    37_B     0.456     0    0.051   0.324     2.129  100.000   84.416
LGA    R    38_B      R    38_B     0.359     0    0.047   1.051     2.542   97.619   86.883
LGA    Q    39_B      Q    39_B     0.417     0    0.071   0.427     2.052   97.619   91.852
LGA    A    40_B      A    40_B     1.201     0    0.094   0.099     1.638   83.690   81.524
LGA    P    41_B      P    41_B     1.858     0    0.593   0.851     4.933   58.571   61.293
LGA    G    42_B      G    42_B     1.367     0    0.299   0.299     3.537   70.000   70.000
LGA    K    43_B      K    43_B     1.064     0    0.049   0.711     3.628   85.952   73.228
LGA    G    44_B      G    44_B     0.888     0    0.083   0.083     0.951   90.476   90.476
LGA    R    45_B      R    45_B     0.149     0    0.032   0.751     2.411  100.000   88.355
LGA    E    46_B      E    46_B     0.559     0    0.096   0.688     3.023   97.619   84.233
LGA    G    47_B      G    47_B     0.674     0    0.051   0.051     0.857   90.476   90.476
LGA    V    48_B      V    48_B     0.535     0    0.080   1.008     2.393   92.857   85.646
LGA    A    49_B      A    49_B     0.404     0    0.034   0.045     0.471  100.000  100.000
LGA    V    50_B      V    50_B     0.604     0    0.062   1.127     2.909   92.857   84.558
LGA    I    51_B      I    51_B     0.552     0    0.044   0.957     2.479   79.643   75.298
LGA    G    52_B      G    52_B     3.170     0    0.452   0.452     6.524   39.881   39.881
LGA    G    53_B      G    53_B     5.085     0    0.431   0.431     5.085   44.405   44.405
LGA    S    54_B      S    54_B     4.148     0    0.600   0.774     6.289   32.143   27.857
LGA    G    55_B      G    55_B     1.844     0    0.133   0.133     2.346   70.833   70.833
LGA    V    56_B      V    56_B     0.865     0    0.066   0.114     1.691   92.976   88.095
LGA    Y    57_B      Y    57_B     0.530     0    0.063   0.139     0.839   90.476   93.651
LGA    A    58_B      A    58_B     0.490     0    0.082   0.089     0.654   95.238   96.190
LGA    D    59_B      D    59_B     0.608     0    0.048   0.075     0.672   90.476   91.667
LGA    A    60_B      A    60_B     0.462     0    0.075   0.075     0.851   95.238   96.190
LGA    V    61_B      V    61_B     0.532     0    0.076   0.132     0.763   97.619   94.558
LGA    K    62_B      K    62_B     0.711     0    0.046   0.811     1.730   90.476   86.508
LGA    G    63_B      G    63_B     0.832     0    0.139   0.139     1.391   88.214   88.214
LGA    R    64_B      R    64_B     0.520     0    0.017   0.360     1.411   90.476   90.606
LGA    F    65_B      F    65_B     0.424     0    0.048   0.324     1.182   97.619   91.429
LGA    T    66_B      T    66_B     0.389     0    0.016   0.072     0.808  100.000   95.918
LGA    I    67_B      I    67_B     0.317     0    0.020   0.665     2.249  100.000   95.595
LGA    S    68_B      S    68_B     0.374     0    0.044   0.626     2.404  100.000   94.127
LGA    Q    69_B      Q    69_B     0.339     0    0.131   0.998     3.298   97.619   80.794
LGA    D    70_B      D    70_B     0.623     0    0.054   0.316     1.592   95.238   88.393
LGA    N    71_B      N    71_B     0.710     0    0.061   1.103     2.651   92.857   84.286
LGA    A    72_B      A    72_B     0.636     0    0.125   0.124     1.072   88.214   90.571
LGA    K    73_B      K    73_B     0.716     0    0.101   0.585     1.854   95.238   84.709
LGA    N    74_B      N    74_B     0.398     0    0.062   0.915     3.155   97.619   86.726
LGA    T    75_B      T    75_B     0.201     0    0.064   0.149     0.467  100.000  100.000
LGA    L    76_B      L    76_B     0.501     0    0.080   0.943     3.639   92.857   83.512
LGA    Y    77_B      Y    77_B     0.357     0    0.051   0.138     0.830  100.000   96.032
LGA    L    78_B      L    78_B     0.461     0    0.028   0.076     0.779  100.000   95.238
LGA    Q    79_B      Q    79_B     0.467     0    0.024   1.003     3.584  100.000   83.810
LGA    M    80_B      M    80_B     0.439     0    0.053   0.436     1.607  100.000   95.417
LGA    N    81_B      N    81_B     0.318     0    0.015   0.055     0.485  100.000  100.000
LGA    S    82_B      S    82_B     0.365     0    0.044   0.048     0.540   97.619   98.413
LGA    L    83_B      L    83_B     0.403     0    0.020   0.215     1.266  100.000   95.298
LGA    K    84_B      K    84_B     0.276     0    0.027   1.048     4.140  100.000   85.344
LGA    P    85_B      P    85_B     0.426     0    0.089   0.106     0.705  100.000   95.918
LGA    E    86_B      E    86_B     0.109     0    0.078   0.484     1.163  100.000   96.878
LGA    D    87_B      D    87_B     0.201     0    0.049   0.200     0.521  100.000   98.810
LGA    T    88_B      T    88_B     0.326     0    0.020   0.998     2.151  100.000   89.728
LGA    A    89_B      A    89_B     0.269     0    0.057   0.072     0.469  100.000  100.000
LGA    M    90_B      M    90_B     0.365     0    0.035   0.818     1.481  100.000   91.845
LGA    Y    91_B      Y    91_B     0.174     0    0.020   0.076     0.238  100.000  100.000
LGA    Y    92_B      Y    92_B     0.477     0    0.071   0.166     0.716   97.619   96.032
LGA    C    93_B      C    93_B     0.350     0    0.062   0.730     2.733  100.000   92.857
LGA    A    94_B      A    94_B     0.371     0    0.050   0.057     0.458  100.000  100.000
LGA    A    95_B      A    95_B     0.655     0    0.049   0.061     0.671   90.476   90.476
LGA    Y    96_B      Y    96_B     0.849     0    0.080   0.307     1.257   90.476   85.952
LGA    W    97_B      W    97_B     0.870     0    0.617   0.809     5.925   83.810   56.735
LGA    K    98_B      K    98_B     3.021     0    0.687   0.585    13.958   42.619   22.487
LGA    G    99_B      G    99_B     7.510     0    0.681   0.681     8.266   10.714   10.714
LGA    Y   100_B      Y   100_B    10.765     0    0.381   1.384    21.587    0.357    0.119
LGA    K   101_B      K   101_B     7.307     0    0.396   0.740     7.975    9.405   13.016
LGA    Y   102_B      Y   102_B     5.192     0    0.122   0.271     5.782   25.000   26.825
LGA    H   103_B      H   103_B     4.689     0    0.310   1.510     6.781   24.405   25.381
LGA    P   104_B      P   104_B     6.923     0    0.737   0.704     8.321   21.786   16.599
LGA    K   105_B      K   105_B     2.909     0    0.341   1.012     4.236   56.071   51.323
LGA    F   106_B      F   106_B     1.512     0    0.346   0.724     2.627   79.286   78.528
LGA    D   107_B      D   107_B     1.129     0    0.186   0.962     4.304   83.690   67.560
LGA    D   108_B      D   108_B     0.350     0    0.046   0.213     1.805   95.238   88.393
LGA    S   109_B      S   109_B     1.574     0    0.048   0.554     2.231   75.000   72.937
LGA    A   110_B      A   110_B     1.970     0    0.051   0.053     2.387   72.857   71.238
LGA    Y   111_B      Y   111_B     0.719     0    0.066   0.231     1.076   88.214   90.516
LGA    E   112_B      E   112_B     0.329     0    0.064   0.279     1.354   97.619   94.762
LGA    Y   113_B      Y   113_B     0.095     0    0.025   0.208     1.463  100.000   93.770
LGA    W   114_B      W   114_B     0.323     0    0.046   0.090     0.552  100.000   97.279
LGA    G   115_B      G   115_B     0.358     0    0.061   0.061     0.662   97.619   97.619
LGA    Q   116_B      Q   116_B     0.172     0    0.092   1.559     5.050  100.000   78.995
LGA    G   117_B      G   117_B     0.359     0    0.070   0.070     0.437  100.000  100.000
LGA    T   118_B      T   118_B     0.217     0    0.038   1.298     2.798  100.000   88.844
LGA    Q   119_B      Q   119_B     0.202     0    0.048   0.244     0.918  100.000   96.825
LGA    V   120_B      V   120_B     0.087     0    0.038   0.050     0.331  100.000  100.000
LGA    T   121_B      T   121_B     0.286     0    0.044   0.113     0.778  100.000   97.279
LGA    V   122_B      V   122_B     0.161     0    0.167   0.159     0.711   97.619   95.918
LGA    S   123_B      S   123_B     0.150     0    0.092   0.700     1.513   97.619   93.889
LGA    S   124_B      S   124_B     1.346     0    0.403   0.800     3.374   73.690   70.794

# 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):     1.869          1.903                  2.614           87.611   83.128

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    118    1.06    91.734    95.023    10.146

LGA_LOCAL      RMSD:   1.063  Number of atoms:  118  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.905  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.869  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.357171 * X  +   0.928663 * Y  +   0.100069 * Z  +   0.293025
  Y_new =   0.520259 * X  +   0.108821 * Y  +   0.847047 * Z  + -59.353889
  Z_new =   0.775732 * X  +   0.354602 * Y  +  -0.522013 * Z  +  26.353807 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.172421 -0.887874  2.544896   [DEG:  124.4706  -50.8714  145.8118 ]
ZXZ:  3.023999  2.120005  1.142038   [DEG:  173.2624  121.4674   65.4339 ]
 
# END of job
