
#######################################################
#                                                     #
#                        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       0.85     0.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.85     0.85
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.85     0.85
  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      5   19   90  110  121  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     15   96  119  120  121  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     84  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     76  113  119  120  121  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     51  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     32  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     85  113  119  120  121  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     51  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     74  113  119  120  121  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     30  113  119  120  121  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     30  113  119  120  121  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     52  113  119  120  121  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     30  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     19  104  119  120  121  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     76  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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   26   66  110  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    3   26   43   68  112  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   60  100  119  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     69  113  119  120  121  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     85  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     52  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     43  113  119  120  121  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     19  113  119  120  121  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     76  113  119  120  121  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     30  113  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      9   96  119  120  121  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      8   63  119  120  121  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     52  113  119  120  121  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     86  113  119  120  121  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     27  113  119  120  121  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     86  113  119  120  121  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     32  113  119  120  121  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      9  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     84  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86  113  119  120  121  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     86    113    119    120    121    123    124    124    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  69.35  91.13  95.97  96.77  97.58  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    0.29   0.44   0.52   0.54   0.62   0.77   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85
GDT RMS_ALL_AT   0.87   0.87   0.88   0.87   0.87   0.86   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85   0.85

# 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    46_B      E    46_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   102_B      Y   102_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     3.173     0    0.587   1.278    10.112   48.571   25.450
LGA    V     2_B      V     2_B     1.460     0    0.018   0.943     3.537   77.143   72.313
LGA    Q     3_B      Q     3_B     0.603     0    0.035   0.237     2.702   92.857   82.910
LGA    L     4_B      L     4_B     0.438     0    0.040   0.056     0.740   95.238   97.619
LGA    V     5_B      V     5_B     0.436     0    0.032   0.091     0.638  100.000   98.639
LGA    E     6_B      E     6_B     0.376     0    0.042   0.157     0.738   97.619   97.884
LGA    S     7_B      S     7_B     0.616     0    0.016   0.036     0.713   92.857   92.063
LGA    G     8_B      G     8_B     0.759     0    0.045   0.045     1.096   88.214   88.214
LGA    G     9_B      G     9_B     0.741     0    0.109   0.109     1.189   88.214   88.214
LGA    G    10_B      G    10_B     0.346     0    0.028   0.028     0.352  100.000  100.000
LGA    S    11_B      S    11_B     0.237     0    0.028   0.058     0.390  100.000  100.000
LGA    V    12_B      V    12_B     0.243     0    0.113   1.011     2.136  100.000   88.571
LGA    Q    13_B      Q    13_B     0.313     0    0.051   0.871     3.198   97.619   82.593
LGA    A    14_B      A    14_B     0.325     0    0.000   0.016     0.336  100.000  100.000
LGA    G    15_B      G    15_B     0.352     0    0.052   0.052     0.406  100.000  100.000
LGA    G    16_B      G    16_B     0.639     0    0.013   0.013     0.639   95.238   95.238
LGA    S    17_B      S    17_B     0.246     0    0.071   0.676     2.198  100.000   94.127
LGA    L    18_B      L    18_B     0.259     0    0.042   1.342     3.173   97.619   83.571
LGA    R    19_B      R    19_B     0.129     0    0.023   1.073     5.022  100.000   82.857
LGA    L    20_B      L    20_B     0.401     0    0.017   0.052     0.496  100.000  100.000
LGA    S    21_B      S    21_B     0.420     0    0.046   0.674     1.746  100.000   93.889
LGA    C    22_B      C    22_B     0.325     0    0.036   0.066     0.552  100.000   98.413
LGA    A    23_B      A    23_B     0.327     0    0.077   0.108     0.331  100.000  100.000
LGA    A    24_B      A    24_B     0.537     0    0.020   0.020     0.584   90.476   90.476
LGA    S    25_B      S    25_B     0.511     0    0.054   0.616     2.634   92.857   88.095
LGA    G    26_B      G    26_B     0.831     0    0.043   0.043     1.141   88.214   88.214
LGA    S    27_B      S    27_B     0.405     0    0.108   0.276     0.532   97.619   96.825
LGA    T    28_B      T    28_B     0.458     0    0.041   1.095     2.369   95.238   87.211
LGA    V    29_B      V    29_B     0.580     0    0.030   0.080     0.678   92.857   91.837
LGA    S    30_B      S    30_B     0.723     0    0.021   0.103     0.986   90.476   90.476
LGA    A    31_B      A    31_B     0.827     0    0.033   0.031     0.880   90.476   90.476
LGA    Y    32_B      Y    32_B     1.008     0    0.025   0.160     1.559   81.429   81.468
LGA    Y    33_B      Y    33_B     0.838     0    0.027   0.180     1.308   92.857   87.500
LGA    M    34_B      M    34_B     0.455     0    0.028   0.594     2.187   92.857   90.833
LGA    A    35_B      A    35_B     0.413     0    0.023   0.021     0.428  100.000  100.000
LGA    W    36_B      W    36_B     0.391     0    0.057   0.075     0.689  100.000   94.558
LGA    F    37_B      F    37_B     0.342     0    0.025   0.050     0.376  100.000  100.000
LGA    R    38_B      R    38_B     0.136     0    0.009   0.086     0.888  100.000   95.671
LGA    Q    39_B      Q    39_B     0.221     0    0.014   0.199     1.146  100.000   95.820
LGA    A    40_B      A    40_B     0.249     0    0.023   0.039     0.641   97.619   98.095
LGA    P    41_B      P    41_B     0.618     0    0.025   0.308     0.983   92.857   94.558
LGA    G    42_B      G    42_B     1.552     0    0.112   0.112     2.299   72.976   72.976
LGA    K    43_B      K    43_B     1.018     0    0.025   0.593     1.498   85.952   85.450
LGA    G    44_B      G    44_B     0.663     0    0.036   0.036     0.773   90.476   90.476
LGA    R    45_B      R    45_B     0.141     0    0.019   0.186     1.394  100.000   93.203
LGA    E    46_B      E    46_B     0.257     0    0.020   0.308     1.172  100.000   94.762
LGA    G    47_B      G    47_B     0.271     0    0.006   0.006     0.271  100.000  100.000
LGA    V    48_B      V    48_B     0.198     0    0.026   0.040     0.222  100.000  100.000
LGA    A    49_B      A    49_B     0.250     0    0.009   0.009     0.407  100.000  100.000
LGA    V    50_B      V    50_B     0.460     0    0.007   1.132     2.900  100.000   88.639
LGA    I    51_B      I    51_B     0.370     0    0.063   0.984     2.789   82.500   72.738
LGA    G    52_B      G    52_B     3.503     0    0.634   0.634     6.322   40.595   40.595
LGA    G    53_B      G    53_B     4.191     0    0.175   0.175     4.191   48.810   48.810
LGA    S    54_B      S    54_B     3.407     0    0.531   0.522     5.529   41.190   38.016
LGA    G    55_B      G    55_B     0.921     0    0.014   0.014     1.187   88.214   88.214
LGA    V    56_B      V    56_B     0.509     0    0.031   0.096     1.180   95.238   93.265
LGA    Y    57_B      Y    57_B     0.160     0    0.018   0.099     0.682  100.000   97.619
LGA    A    58_B      A    58_B     0.268     0    0.023   0.032     0.288  100.000  100.000
LGA    D    59_B      D    59_B     0.457     0    0.028   0.137     0.568  100.000   97.619
LGA    A    60_B      A    60_B     0.349     0    0.016   0.016     0.377  100.000  100.000
LGA    V    61_B      V    61_B     0.183     0    0.043   0.082     0.334  100.000  100.000
LGA    K    62_B      K    62_B     0.247     0    0.022   0.787     2.806  100.000   88.201
LGA    G    63_B      G    63_B     0.263     0    0.020   0.020     0.263  100.000  100.000
LGA    R    64_B      R    64_B     0.180     0    0.032   0.175     0.756  100.000   97.403
LGA    F    65_B      F    65_B     0.176     0    0.040   0.108     0.452  100.000  100.000
LGA    T    66_B      T    66_B     0.192     0    0.026   0.054     0.445  100.000  100.000
LGA    I    67_B      I    67_B     0.335     0    0.040   0.084     0.379  100.000  100.000
LGA    S    68_B      S    68_B     0.272     0    0.037   0.107     0.333  100.000  100.000
LGA    Q    69_B      Q    69_B     0.396     0    0.087   0.280     1.039   95.238   93.704
LGA    D    70_B      D    70_B     0.201     0    0.074   0.119     0.711  100.000   98.810
LGA    N    71_B      N    71_B     0.117     0    0.022   1.089     2.293  100.000   91.190
LGA    A    72_B      A    72_B     0.509     0    0.114   0.122     0.812   95.238   94.286
LGA    K    73_B      K    73_B     0.396     0    0.021   0.559     2.259  100.000   96.085
LGA    N    74_B      N    74_B     0.202     0    0.019   0.250     0.958  100.000   98.810
LGA    T    75_B      T    75_B     0.271     0    0.021   0.075     0.459  100.000  100.000
LGA    L    76_B      L    76_B     0.381     0    0.054   0.715     2.709   97.619   88.810
LGA    Y    77_B      Y    77_B     0.358     0    0.024   0.082     0.437  100.000  100.000
LGA    L    78_B      L    78_B     0.414     0    0.044   0.059     0.521  100.000   98.810
LGA    Q    79_B      Q    79_B     0.336     0    0.054   0.920     3.812  100.000   86.772
LGA    M    80_B      M    80_B     0.271     0    0.009   0.752     2.434  100.000   94.405
LGA    N    81_B      N    81_B     0.157     0    0.034   0.312     1.273  100.000   97.679
LGA    S    82_B      S    82_B     0.149     0    0.030   0.037     0.336  100.000  100.000
LGA    L    83_B      L    83_B     0.214     0    0.011   0.059     0.305  100.000  100.000
LGA    K    84_B      K    84_B     0.409     0    0.047   0.689     1.883  100.000   92.910
LGA    P    85_B      P    85_B     0.212     0    0.050   0.082     0.245  100.000  100.000
LGA    E    86_B      E    86_B     0.274     0    0.032   0.587     1.992  100.000   92.804
LGA    D    87_B      D    87_B     0.147     0    0.015   0.105     0.295  100.000  100.000
LGA    T    88_B      T    88_B     0.228     0    0.059   0.148     0.506   97.619   98.639
LGA    A    89_B      A    89_B     0.315     0    0.051   0.080     0.377  100.000  100.000
LGA    M    90_B      M    90_B     0.144     0    0.040   1.032     2.055  100.000   89.881
LGA    Y    91_B      Y    91_B     0.269     0    0.009   0.078     0.386  100.000  100.000
LGA    Y    92_B      Y    92_B     0.302     0    0.016   0.120     0.720  100.000   96.825
LGA    C    93_B      C    93_B     0.210     0    0.038   0.733     2.848  100.000   92.857
LGA    A    94_B      A    94_B     0.182     0    0.033   0.031     0.264  100.000  100.000
LGA    A    95_B      A    95_B     0.294     0    0.018   0.028     0.387  100.000  100.000
LGA    Y    96_B      Y    96_B     0.806     0    0.040   0.136     2.384   90.476   78.810
LGA    W    97_B      W    97_B     0.658     0    0.028   1.536     6.126   90.476   68.265
LGA    K    98_B      K    98_B     0.738     0    0.054   0.085     1.243   90.476   87.460
LGA    G    99_B      G    99_B     0.788     0    0.075   0.075     1.215   88.214   88.214
LGA    Y   100_B      Y   100_B     1.020     0    0.067   0.158     1.596   88.214   82.262
LGA    K   101_B      K   101_B     0.961     0    0.134   0.619     1.753   83.810   83.598
LGA    Y   102_B      Y   102_B     1.300     0    0.027   0.078     2.470   81.429   73.730
LGA    H   103_B      H   103_B     1.690     0    0.015   0.161     2.515   77.143   69.762
LGA    P   104_B      P   104_B     1.365     0    0.055   0.265     2.783   81.548   74.422
LGA    K   105_B      K   105_B     0.896     0    0.025   0.810     4.339   88.214   71.905
LGA    F   106_B      F   106_B     0.566     0    0.040   0.207     0.757   90.476   92.208
LGA    D   107_B      D   107_B     0.860     0    0.027   0.084     1.288   90.476   85.952
LGA    D   108_B      D   108_B     0.577     0    0.022   0.368     1.607   90.476   86.012
LGA    S   109_B      S   109_B     1.233     0    0.027   0.054     1.572   83.690   80.079
LGA    A   110_B      A   110_B     1.307     0    0.034   0.038     1.447   81.429   81.429
LGA    Y   111_B      Y   111_B     0.419     0    0.066   0.118     0.795   97.619   95.238
LGA    E   112_B      E   112_B     0.202     0    0.018   0.726     2.404  100.000   89.947
LGA    Y   113_B      Y   113_B     0.264     0    0.042   0.103     1.268  100.000   92.183
LGA    W   114_B      W   114_B     0.358     0    0.013   0.097     0.569  100.000   97.959
LGA    G   115_B      G   115_B     0.533     0    0.048   0.048     0.701   90.476   90.476
LGA    Q   116_B      Q   116_B     0.490     0    0.052   0.985     5.281  100.000   79.365
LGA    G   117_B      G   117_B     0.311     0    0.025   0.025     0.311  100.000  100.000
LGA    T   118_B      T   118_B     0.420     0    0.024   1.284     2.746  100.000   87.483
LGA    Q   119_B      Q   119_B     0.489     0    0.030   0.130     0.678   97.619   93.651
LGA    V   120_B      V   120_B     0.215     0    0.030   0.088     0.431  100.000  100.000
LGA    T   121_B      T   121_B     0.320     0    0.030   0.072     0.473  100.000  100.000
LGA    V   122_B      V   122_B     0.213     0    0.074   0.114     0.514   97.619   98.639
LGA    S   123_B      S   123_B     0.106     0    0.096   0.150     0.490  100.000  100.000
LGA    S   124_B      S   124_B     0.603     0    0.337   0.836     3.296   92.976   83.889

# 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):     0.855          0.914                  1.297           94.125   90.555

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    124    0.85    96.976    98.564    12.991

LGA_LOCAL      RMSD:   0.855  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.855  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   0.855  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.605081 * X  +   0.671685 * Y  +  -0.427452 * Z  +   0.977902
  Y_new =   0.158334 * X  +  -0.627685 * Y  +  -0.762195 * Z  + -41.493851
  Z_new =  -0.780261 * X  +   0.393509 * Y  +  -0.486151 * Z  +  19.177315 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.255936  0.895083  2.461123   [DEG:   14.6640   51.2845  141.0120 ]
ZXZ: -0.511110  2.078477 -1.103690   [DEG:  -29.2845  119.0879  -63.2368 ]
 
# END of job
