
#######################################################
#                                                     #
#                        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       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.82     0.82
  LCS_AVERAGE:    100.00

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    124  124  124      7   70  108  118  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B    124  124  124     37  108  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B    124  124  124     87  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B    124  124  124     79  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B    124  124  124     64  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B    124  124  124     89  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B    124  124  124     75  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B    124  124  124     88  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B    124  124  124      8   96  117  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B    124  124  124     54  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B    124  124  124     91  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B    124  124  124     80  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B    124  124  124      3    4   65  111  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B    124  124  124      3    4    4    6  108  118  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B    124  124  124      3    3   80  105  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B    124  124  124     46  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B    124  124  124     91  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B    124  124  124     37  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B    124  124  124     92  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B    124  124  124     34  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B    124  124  124     22  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B    124  124  124     15   80  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B    124  124  124      3    4  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B    124  124  124     14   51  119  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B    124  124  124     19  102  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B    124  124  124     36  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B    124  124  124     36  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B    124  124  124     91  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B    124  124  124     73  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B    124  124  124     37  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B    124  124  124     19  109  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B    124  124  124     93  113  119  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     93    113    119    120    122    123    124    124    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  75.00  91.13  95.97  96.77  98.39  99.19 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.42   0.54   0.56   0.71   0.73   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82
GDT RMS_ALL_AT   0.82   0.82   0.83   0.83   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  Y    91_B      Y    91_B
#   possible swapping detected:  Y    92_B      Y    92_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   111_B      Y   111_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     2.403     0    0.626   1.324     9.315   59.167   32.116
LGA    V     2_B      V     2_B     1.198     0    0.025   0.988     3.092   79.286   74.490
LGA    Q     3_B      Q     3_B     0.667     0    0.039   0.145     2.228   95.238   85.767
LGA    L     4_B      L     4_B     0.375     0    0.015   0.065     0.490  100.000  100.000
LGA    V     5_B      V     5_B     0.390     0    0.063   0.113     0.590  100.000   98.639
LGA    E     6_B      E     6_B     0.382     0    0.072   0.151     0.699   97.619   96.825
LGA    S     7_B      S     7_B     0.563     0    0.033   0.047     0.633   92.857   92.063
LGA    G     8_B      G     8_B     0.745     0    0.048   0.048     1.059   88.214   88.214
LGA    G     9_B      G     9_B     0.682     0    0.068   0.068     0.916   90.476   90.476
LGA    G    10_B      G    10_B     0.265     0    0.026   0.026     0.275  100.000  100.000
LGA    S    11_B      S    11_B     0.067     0    0.027   0.060     0.247  100.000  100.000
LGA    V    12_B      V    12_B     0.135     0    0.067   1.185     2.629  100.000   88.844
LGA    Q    13_B      Q    13_B     0.354     0    0.036   0.848     3.418   97.619   84.339
LGA    A    14_B      A    14_B     0.398     0    0.023   0.051     0.404  100.000  100.000
LGA    G    15_B      G    15_B     0.337     0    0.034   0.034     0.448  100.000  100.000
LGA    G    16_B      G    16_B     0.468     0    0.024   0.024     0.468  100.000  100.000
LGA    S    17_B      S    17_B     0.025     0    0.096   0.658     2.425  100.000   94.127
LGA    L    18_B      L    18_B     0.173     0    0.041   1.260     3.141   97.619   84.762
LGA    R    19_B      R    19_B     0.179     0    0.069   0.993     4.722  100.000   82.597
LGA    L    20_B      L    20_B     0.320     0    0.025   0.079     0.462  100.000  100.000
LGA    S    21_B      S    21_B     0.326     0    0.012   0.128     0.625  100.000   96.825
LGA    C    22_B      C    22_B     0.195     0    0.007   0.134     0.632  100.000   98.413
LGA    A    23_B      A    23_B     0.237     0    0.080   0.110     0.288  100.000  100.000
LGA    A    24_B      A    24_B     0.470     0    0.060   0.068     0.563   95.238   96.190
LGA    S    25_B      S    25_B     0.415     0    0.039   0.560     2.463  100.000   94.127
LGA    G    26_B      G    26_B     0.583     0    0.054   0.054     0.889   90.476   90.476
LGA    S    27_B      S    27_B     0.159     0    0.048   0.457     1.274  100.000   96.905
LGA    T    28_B      T    28_B     0.275     0    0.106   1.163     2.685   97.619   87.483
LGA    V    29_B      V    29_B     0.358     0    0.049   1.112     2.390  100.000   88.571
LGA    S    30_B      S    30_B     0.482     0    0.049   0.161     0.656   97.619   95.238
LGA    A    31_B      A    31_B     0.431     0    0.023   0.040     0.633   95.238   96.190
LGA    Y    32_B      Y    32_B     0.594     0    0.023   0.097     0.838   90.476   90.476
LGA    Y    33_B      Y    33_B     0.683     0    0.076   0.147     1.158   90.476   88.968
LGA    M    34_B      M    34_B     0.492     0    0.054   0.590     2.239   92.857   90.833
LGA    A    35_B      A    35_B     0.423     0    0.032   0.031     0.452  100.000  100.000
LGA    W    36_B      W    36_B     0.385     0    0.058   0.058     0.516  100.000   98.639
LGA    F    37_B      F    37_B     0.229     0    0.042   0.047     0.291  100.000  100.000
LGA    R    38_B      R    38_B     0.191     0    0.016   0.088     0.918  100.000   95.671
LGA    Q    39_B      Q    39_B     0.184     0    0.038   0.192     0.685  100.000   97.884
LGA    A    40_B      A    40_B     0.336     0    0.015   0.032     0.678   95.238   94.286
LGA    P    41_B      P    41_B     0.691     0    0.031   0.330     1.178   88.333   90.680
LGA    G    42_B      G    42_B     1.848     0    0.114   0.114     2.578   71.071   71.071
LGA    K    43_B      K    43_B     1.023     0    0.020   0.585     1.604   85.952   84.497
LGA    G    44_B      G    44_B     0.622     0    0.049   0.049     0.838   90.476   90.476
LGA    R    45_B      R    45_B     0.178     0    0.008   0.292     1.524  100.000   93.290
LGA    E    46_B      E    46_B     0.560     0    0.086   0.838     2.996   97.619   87.989
LGA    G    47_B      G    47_B     0.250     0    0.023   0.023     0.256  100.000  100.000
LGA    V    48_B      V    48_B     0.236     0    0.019   0.049     0.429  100.000  100.000
LGA    A    49_B      A    49_B     0.391     0    0.021   0.025     0.508   97.619   98.095
LGA    V    50_B      V    50_B     0.450     0    0.023   1.004     2.822  100.000   88.639
LGA    I    51_B      I    51_B     0.232     0    0.034   0.982     2.559   86.548   76.845
LGA    G    52_B      G    52_B     2.931     0    0.618   0.618     5.684   48.690   48.690
LGA    G    53_B      G    53_B     4.103     0    0.231   0.231     4.103   48.810   48.810
LGA    S    54_B      S    54_B     3.270     0    0.515   0.499     5.504   42.381   38.016
LGA    G    55_B      G    55_B     0.852     0    0.029   0.029     1.164   88.214   88.214
LGA    V    56_B      V    56_B     0.485     0    0.032   0.112     1.038   97.619   94.626
LGA    Y    57_B      Y    57_B     0.228     0    0.022   0.071     0.477  100.000  100.000
LGA    A    58_B      A    58_B     0.249     0    0.023   0.045     0.399  100.000  100.000
LGA    D    59_B      D    59_B     0.348     0    0.014   0.217     0.910  100.000   98.810
LGA    A    60_B      A    60_B     0.310     0    0.037   0.035     0.361  100.000  100.000
LGA    V    61_B      V    61_B     0.183     0    0.020   0.068     0.412  100.000  100.000
LGA    K    62_B      K    62_B     0.338     0    0.034   0.790     2.509   97.619   88.148
LGA    G    63_B      G    63_B     0.350     0    0.020   0.020     0.440  100.000  100.000
LGA    R    64_B      R    64_B     0.338     0    0.019   0.095     0.567  100.000   99.134
LGA    F    65_B      F    65_B     0.148     0    0.018   0.085     0.242  100.000  100.000
LGA    T    66_B      T    66_B     0.289     0    0.042   0.046     0.583   97.619   97.279
LGA    I    67_B      I    67_B     0.305     0    0.054   0.072     0.400  100.000  100.000
LGA    S    68_B      S    68_B     0.397     0    0.036   0.053     0.525   97.619   98.413
LGA    Q    69_B      Q    69_B     0.327     0    0.098   0.513     2.140   97.619   85.079
LGA    D    70_B      D    70_B     0.130     0    0.047   0.102     0.218  100.000  100.000
LGA    N    71_B      N    71_B     0.166     0    0.025   1.069     2.404  100.000   91.190
LGA    A    72_B      A    72_B     0.304     0    0.087   0.102     0.574   97.619   98.095
LGA    K    73_B      K    73_B     0.375     0    0.042   0.636     2.142  100.000   92.910
LGA    N    74_B      N    74_B     0.377     0    0.041   0.753     2.495  100.000   92.024
LGA    T    75_B      T    75_B     0.232     0    0.045   0.103     0.318  100.000  100.000
LGA    L    76_B      L    76_B     0.238     0    0.064   0.684     2.505  100.000   90.000
LGA    Y    77_B      Y    77_B     0.308     0    0.025   0.039     0.454  100.000  100.000
LGA    L    78_B      L    78_B     0.389     0    0.035   0.063     0.529  100.000   96.429
LGA    Q    79_B      Q    79_B     0.303     0    0.032   0.929     3.854  100.000   85.873
LGA    M    80_B      M    80_B     0.218     0    0.013   0.138     0.336  100.000  100.000
LGA    N    81_B      N    81_B     0.196     0    0.028   0.234     1.120  100.000   96.488
LGA    S    82_B      S    82_B     0.215     0    0.040   0.069     0.442  100.000  100.000
LGA    L    83_B      L    83_B     0.292     0    0.023   0.077     0.338  100.000  100.000
LGA    K    84_B      K    84_B     0.304     0    0.031   0.647     1.806  100.000   93.862
LGA    P    85_B      P    85_B     0.120     0    0.030   0.045     0.273  100.000  100.000
LGA    E    86_B      E    86_B     0.231     0    0.031   0.580     1.655  100.000   92.804
LGA    D    87_B      D    87_B     0.130     0    0.019   0.093     0.290  100.000  100.000
LGA    T    88_B      T    88_B     0.136     0    0.105   0.154     0.701   97.619   98.639
LGA    A    89_B      A    89_B     0.229     0    0.021   0.024     0.297  100.000  100.000
LGA    M    90_B      M    90_B     0.243     0    0.034   1.007     2.078  100.000   89.881
LGA    Y    91_B      Y    91_B     0.199     0    0.042   0.084     0.244  100.000  100.000
LGA    Y    92_B      Y    92_B     0.442     0    0.022   0.094     0.568  100.000   98.413
LGA    C    93_B      C    93_B     0.233     0    0.022   0.730     2.786  100.000   92.857
LGA    A    94_B      A    94_B     0.267     0    0.046   0.059     0.360  100.000  100.000
LGA    A    95_B      A    95_B     0.479     0    0.009   0.038     0.479  100.000  100.000
LGA    Y    96_B      Y    96_B     0.686     0    0.025   0.180     2.495   90.476   79.603
LGA    W    97_B      W    97_B     0.640     0    0.055   0.922     3.219   90.476   80.816
LGA    K    98_B      K    98_B     0.910     0    0.100   0.172     1.149   88.214   88.466
LGA    G    99_B      G    99_B     1.055     0    0.056   0.056     1.590   81.548   81.548
LGA    Y   100_B      Y   100_B     1.640     0    0.648   0.568     3.249   69.286   67.659
LGA    K   101_B      K   101_B     2.046     0    0.279   0.652     4.331   66.786   55.344
LGA    Y   102_B      Y   102_B     1.998     0    0.037   1.320     8.496   72.857   45.119
LGA    H   103_B      H   103_B     1.458     0    0.014   0.250     2.029   79.286   75.524
LGA    P   104_B      P   104_B     1.099     0    0.043   0.264     1.839   85.952   82.789
LGA    K   105_B      K   105_B     0.960     0    0.019   0.784     3.909   88.214   75.079
LGA    F   106_B      F   106_B     0.620     0    0.012   0.264     1.211   90.476   88.009
LGA    D   107_B      D   107_B     0.685     0    0.085   0.121     1.033   88.214   88.214
LGA    D   108_B      D   108_B     0.346     0    0.024   0.274     1.140   95.238   92.917
LGA    S   109_B      S   109_B     1.087     0    0.017   0.032     1.486   83.690   82.937
LGA    A   110_B      A   110_B     1.250     0    0.012   0.023     1.431   81.429   81.429
LGA    Y   111_B      Y   111_B     0.537     0    0.104   0.097     0.785   92.857   92.063
LGA    E   112_B      E   112_B     0.186     0    0.023   0.465     2.232  100.000   91.905
LGA    Y   113_B      Y   113_B     0.071     0    0.050   0.085     0.811  100.000   96.825
LGA    W   114_B      W   114_B     0.264     0    0.034   0.056     0.413  100.000  100.000
LGA    G   115_B      G   115_B     0.262     0    0.062   0.062     0.634   97.619   97.619
LGA    Q   116_B      Q   116_B     0.277     0    0.016   0.978     4.622  100.000   83.492
LGA    G   117_B      G   117_B     0.355     0    0.059   0.059     0.355  100.000  100.000
LGA    T   118_B      T   118_B     0.366     0    0.024   1.281     2.657  100.000   87.483
LGA    Q   119_B      Q   119_B     0.341     0    0.019   0.088     0.459  100.000  100.000
LGA    V   120_B      V   120_B     0.150     0    0.029   0.070     0.348  100.000  100.000
LGA    T   121_B      T   121_B     0.123     0    0.010   0.067     0.287  100.000  100.000
LGA    V   122_B      V   122_B     0.024     0    0.040   0.088     0.282  100.000  100.000
LGA    S   123_B      S   123_B     0.056     0    0.065   0.130     0.670   97.619   98.413
LGA    S   124_B      S   124_B     0.464     0    0.394   0.840     3.222   93.214   85.556

# 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):     0.817          0.887                  1.328           94.402   90.851

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    124    0.82    96.976    98.617    13.522

LGA_LOCAL      RMSD:   0.817  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.817  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   0.817  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.995239 * X  +   0.087677 * Y  +   0.042559 * Z  +   0.792517
  Y_new =  -0.010038 * X  +   0.526571 * Y  +  -0.850072 * Z  + -40.453434
  Z_new =  -0.096942 * X  +   0.845598 * Y  +   0.524945 * Z  +  18.237778 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.010086  0.097094  1.015225   [DEG:   -0.5779    5.5631   58.1681 ]
ZXZ:  0.050023  1.018146 -0.114144   [DEG:    2.8661   58.3355   -6.5400 ]
 
# END of job
