
#######################################################
#                                                     #
#                        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      7   19  100  120  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     20  101  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     83  114  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  114  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  114  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  114  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  114  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     68  114  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     68  114  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  114  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  114  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  114  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  114  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  114  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  114  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     86  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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     81  114  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     67  114  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     80  114  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  114  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     83  114  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     40  114  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     28  114  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     28  114  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     37  114  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     20  114  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  114  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     85  114  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  114  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  114  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  114  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  114  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  114  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     85  114  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     18   89  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     42  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     83  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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    3   32   47  114  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    3   36   69   96  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   22   99  120  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     39  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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     20  114  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  114  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     40  114  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     47  114  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     40  114  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     60  114  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     17  114  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     31  104  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     13   73  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     37  114  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     85  114  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     44  114  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  114  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     44  114  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     16  114  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  114  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  114  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  114  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  114  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     86  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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  114  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    114    119    120    121    123    124    124    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  69.35  91.94  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    0.30   0.46   0.52   0.54   0.60   0.75   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   0.85   0.87   0.86   0.86   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   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     2.555     0    0.621   1.322     9.531   55.357   29.524
LGA    V     2_B      V     2_B     1.308     0    0.035   1.006     3.339   77.143   73.265
LGA    Q     3_B      Q     3_B     0.650     0    0.061   0.227     2.498   90.476   82.646
LGA    L     4_B      L     4_B     0.448     0    0.018   0.064     0.508   97.619   98.810
LGA    V     5_B      V     5_B     0.414     0    0.057   0.115     0.557  100.000   98.639
LGA    E     6_B      E     6_B     0.399     0    0.067   0.153     0.656   97.619   97.884
LGA    S     7_B      S     7_B     0.553     0    0.024   0.049     0.632   92.857   93.651
LGA    G     8_B      G     8_B     0.821     0    0.054   0.054     1.191   88.214   88.214
LGA    G     9_B      G     9_B     0.774     0    0.087   0.087     1.079   88.214   88.214
LGA    G    10_B      G    10_B     0.285     0    0.017   0.017     0.290  100.000  100.000
LGA    S    11_B      S    11_B     0.187     0    0.048   0.087     0.353  100.000  100.000
LGA    V    12_B      V    12_B     0.203     0    0.087   0.964     2.075  100.000   89.728
LGA    Q    13_B      Q    13_B     0.340     0    0.039   0.897     3.502   97.619   83.598
LGA    A    14_B      A    14_B     0.356     0    0.024   0.061     0.356  100.000  100.000
LGA    G    15_B      G    15_B     0.298     0    0.031   0.031     0.429  100.000  100.000
LGA    G    16_B      G    16_B     0.544     0    0.029   0.029     0.544   97.619   97.619
LGA    S    17_B      S    17_B     0.088     0    0.097   0.665     2.408  100.000   94.127
LGA    L    18_B      L    18_B     0.249     0    0.049   1.301     3.196   97.619   83.571
LGA    R    19_B      R    19_B     0.189     0    0.062   0.994     4.778  100.000   83.333
LGA    L    20_B      L    20_B     0.347     0    0.024   0.087     0.485  100.000  100.000
LGA    S    21_B      S    21_B     0.429     0    0.039   0.681     1.668  100.000   93.889
LGA    C    22_B      C    22_B     0.248     0    0.009   0.140     0.688  100.000   98.413
LGA    A    23_B      A    23_B     0.338     0    0.089   0.121     0.347  100.000  100.000
LGA    A    24_B      A    24_B     0.608     0    0.043   0.046     0.719   90.476   90.476
LGA    S    25_B      S    25_B     0.665     0    0.038   0.544     2.922   90.476   84.921
LGA    G    26_B      G    26_B     0.683     0    0.091   0.091     0.683   92.857   92.857
LGA    S    27_B      S    27_B     0.580     0    0.052   0.697     1.622   92.857   89.127
LGA    T    28_B      T    28_B     0.635     0    0.083   1.101     2.540   90.476   83.197
LGA    V    29_B      V    29_B     0.805     0    0.047   0.092     0.878   90.476   90.476
LGA    S    30_B      S    30_B     0.901     0    0.036   0.200     1.215   88.214   87.460
LGA    A    31_B      A    31_B     0.948     0    0.021   0.067     1.021   90.476   88.667
LGA    Y    32_B      Y    32_B     0.930     0    0.025   0.145     1.300   90.476   87.460
LGA    Y    33_B      Y    33_B     0.865     0    0.057   0.164     1.546   92.857   84.563
LGA    M    34_B      M    34_B     0.448     0    0.056   0.652     2.291   92.857   90.833
LGA    A    35_B      A    35_B     0.469     0    0.037   0.038     0.488  100.000  100.000
LGA    W    36_B      W    36_B     0.405     0    0.057   0.066     0.488  100.000  100.000
LGA    F    37_B      F    37_B     0.267     0    0.033   0.061     0.314  100.000  100.000
LGA    R    38_B      R    38_B     0.190     0    0.008   0.127     0.905  100.000   97.403
LGA    Q    39_B      Q    39_B     0.253     0    0.026   0.146     0.920  100.000   97.884
LGA    A    40_B      A    40_B     0.191     0    0.017   0.038     0.619   97.619   98.095
LGA    P    41_B      P    41_B     0.614     0    0.029   0.341     0.997   92.857   94.558
LGA    G    42_B      G    42_B     1.652     0    0.102   0.102     2.368   72.976   72.976
LGA    K    43_B      K    43_B     1.063     0    0.023   0.587     1.465   85.952   85.450
LGA    G    44_B      G    44_B     0.726     0    0.030   0.030     0.945   90.476   90.476
LGA    R    45_B      R    45_B     0.200     0    0.022   0.313     2.071  100.000   89.307
LGA    E    46_B      E    46_B     0.295     0    0.029   0.373     1.229  100.000   93.757
LGA    G    47_B      G    47_B     0.315     0    0.010   0.010     0.328  100.000  100.000
LGA    V    48_B      V    48_B     0.296     0    0.017   0.059     0.470  100.000  100.000
LGA    A    49_B      A    49_B     0.342     0    0.014   0.016     0.478  100.000  100.000
LGA    V    50_B      V    50_B     0.434     0    0.021   1.039     2.905  100.000   88.639
LGA    I    51_B      I    51_B     0.296     0    0.029   0.979     2.624   82.500   73.810
LGA    G    52_B      G    52_B     3.478     0    0.632   0.632     6.415   40.833   40.833
LGA    G    53_B      G    53_B     4.407     0    0.217   0.217     4.407   48.810   48.810
LGA    S    54_B      S    54_B     3.429     0    0.542   0.518     5.614   41.190   37.222
LGA    G    55_B      G    55_B     0.919     0    0.023   0.023     1.253   88.214   88.214
LGA    V    56_B      V    56_B     0.555     0    0.031   0.109     1.217   95.238   93.265
LGA    Y    57_B      Y    57_B     0.209     0    0.011   0.053     0.582  100.000   99.206
LGA    A    58_B      A    58_B     0.295     0    0.015   0.034     0.442  100.000  100.000
LGA    D    59_B      D    59_B     0.390     0    0.027   0.214     0.850  100.000   98.810
LGA    A    60_B      A    60_B     0.318     0    0.033   0.033     0.368  100.000  100.000
LGA    V    61_B      V    61_B     0.194     0    0.020   0.068     0.422  100.000  100.000
LGA    K    62_B      K    62_B     0.326     0    0.027   0.807     2.653  100.000   88.201
LGA    G    63_B      G    63_B     0.340     0    0.024   0.024     0.411  100.000  100.000
LGA    R    64_B      R    64_B     0.288     0    0.029   0.071     0.459  100.000  100.000
LGA    F    65_B      F    65_B     0.130     0    0.042   0.116     0.285  100.000  100.000
LGA    T    66_B      T    66_B     0.202     0    0.036   0.045     0.559  100.000   97.279
LGA    I    67_B      I    67_B     0.251     0    0.047   0.078     0.347  100.000  100.000
LGA    S    68_B      S    68_B     0.272     0    0.052   0.088     0.349  100.000  100.000
LGA    Q    69_B      Q    69_B     0.165     0    0.091   0.550     2.274   97.619   85.079
LGA    D    70_B      D    70_B     0.060     0    0.035   0.100     0.407  100.000  100.000
LGA    N    71_B      N    71_B     0.061     0    0.014   1.065     2.446  100.000   92.202
LGA    A    72_B      A    72_B     0.331     0    0.102   0.118     0.614  100.000   98.095
LGA    K    73_B      K    73_B     0.237     0    0.046   0.608     2.367  100.000   95.026
LGA    N    74_B      N    74_B     0.197     0    0.039   0.267     0.926  100.000   97.619
LGA    T    75_B      T    75_B     0.201     0    0.033   0.052     0.228  100.000  100.000
LGA    L    76_B      L    76_B     0.388     0    0.052   0.683     2.517  100.000   90.000
LGA    Y    77_B      Y    77_B     0.267     0    0.019   0.083     0.362  100.000  100.000
LGA    L    78_B      L    78_B     0.354     0    0.034   0.055     0.512  100.000   97.619
LGA    Q    79_B      Q    79_B     0.303     0    0.020   0.928     3.699  100.000   86.772
LGA    M    80_B      M    80_B     0.208     0    0.018   0.685     2.035  100.000   94.405
LGA    N    81_B      N    81_B     0.226     0    0.032   0.334     1.566  100.000   94.226
LGA    S    82_B      S    82_B     0.252     0    0.053   0.078     0.468  100.000  100.000
LGA    L    83_B      L    83_B     0.270     0    0.016   0.083     0.457  100.000  100.000
LGA    K    84_B      K    84_B     0.207     0    0.031   0.654     1.883  100.000   93.862
LGA    P    85_B      P    85_B     0.123     0    0.020   0.040     0.280  100.000  100.000
LGA    E    86_B      E    86_B     0.207     0    0.030   0.571     1.887  100.000   92.804
LGA    D    87_B      D    87_B     0.082     0    0.015   0.084     0.226  100.000  100.000
LGA    T    88_B      T    88_B     0.171     0    0.094   0.150     0.615   97.619   98.639
LGA    A    89_B      A    89_B     0.247     0    0.021   0.023     0.286  100.000  100.000
LGA    M    90_B      M    90_B     0.256     0    0.026   1.011     2.020  100.000   89.881
LGA    Y    91_B      Y    91_B     0.224     0    0.032   0.068     0.249  100.000  100.000
LGA    Y    92_B      Y    92_B     0.391     0    0.024   0.085     0.505  100.000   98.413
LGA    C    93_B      C    93_B     0.204     0    0.023   0.731     2.766  100.000   92.857
LGA    A    94_B      A    94_B     0.228     0    0.036   0.044     0.371  100.000  100.000
LGA    A    95_B      A    95_B     0.404     0    0.010   0.024     0.447  100.000  100.000
LGA    Y    96_B      Y    96_B     0.758     0    0.025   0.171     2.652   90.476   77.579
LGA    W    97_B      W    97_B     0.680     0    0.056   1.554     6.050   90.476   68.265
LGA    K    98_B      K    98_B     0.862     0    0.031   0.153     1.202   90.476   86.455
LGA    G    99_B      G    99_B     0.913     0    0.057   0.057     1.286   85.952   85.952
LGA    Y   100_B      Y   100_B     1.021     0    0.012   0.129     1.439   85.952   82.937
LGA    K   101_B      K   101_B     0.887     0    0.273   0.663     1.914   83.810   82.593
LGA    Y   102_B      Y   102_B     1.300     0    0.044   0.105     2.628   79.286   70.992
LGA    H   103_B      H   103_B     1.602     0    0.025   0.188     2.563   77.143   69.000
LGA    P   104_B      P   104_B     1.340     0    0.101   0.290     2.897   83.690   75.646
LGA    K   105_B      K   105_B     0.872     0    0.071   0.846     4.419   88.214   71.905
LGA    F   106_B      F   106_B     0.616     0    0.016   0.251     1.112   90.476   88.009
LGA    D   107_B      D   107_B     0.823     0    0.069   0.087     1.397   88.214   84.821
LGA    D   108_B      D   108_B     0.542     0    0.016   0.250     1.121   90.476   89.345
LGA    S   109_B      S   109_B     1.205     0    0.017   0.032     1.589   83.690   80.079
LGA    A   110_B      A   110_B     1.296     0    0.043   0.062     1.482   85.952   85.048
LGA    Y   111_B      Y   111_B     0.517     0    0.120   0.128     0.796   92.857   93.651
LGA    E   112_B      E   112_B     0.247     0    0.028   0.820     3.301  100.000   86.455
LGA    Y   113_B      Y   113_B     0.237     0    0.049   0.074     1.025  100.000   93.690
LGA    W   114_B      W   114_B     0.296     0    0.030   0.065     0.448  100.000  100.000
LGA    G   115_B      G   115_B     0.314     0    0.058   0.058     0.670   97.619   97.619
LGA    Q   116_B      Q   116_B     0.350     0    0.016   1.046     5.081  100.000   80.159
LGA    G   117_B      G   117_B     0.337     0    0.054   0.054     0.367  100.000  100.000
LGA    T   118_B      T   118_B     0.424     0    0.031   1.241     2.714  100.000   87.483
LGA    Q   119_B      Q   119_B     0.420     0    0.019   0.068     0.511  100.000   97.884
LGA    V   120_B      V   120_B     0.200     0    0.034   0.084     0.399  100.000  100.000
LGA    T   121_B      T   121_B     0.216     0    0.011   0.069     0.396  100.000  100.000
LGA    V   122_B      V   122_B     0.056     0    0.047   0.098     0.307  100.000  100.000
LGA    S   123_B      S   123_B     0.079     0    0.087   0.162     0.671   97.619   98.413
LGA    S   124_B      S   124_B     0.447     0    0.392   0.833     3.271   95.357   85.476

# 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):     0.845          0.908                  1.289           94.294   90.615

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    124    0.85    97.177    98.628    13.117

LGA_LOCAL      RMSD:   0.845  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.845  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   0.845  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.004304 * X  +  -0.598463 * Y  +  -0.801139 * Z  +   1.314699
  Y_new =   0.999787 * X  +   0.018742 * Y  +  -0.008630 * Z  + -41.427303
  Z_new =   0.020180 * X  +  -0.800931 * Y  +   0.598417 * Z  +  18.334682 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.566492 -0.020181 -0.929121   [DEG:   89.7534   -1.1563  -53.2347 ]
ZXZ: -1.560025  0.929273  3.116403   [DEG:  -89.3828   53.2434  178.5567 ]
 
# END of job
