
#######################################################
#                                                     #
#                        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   34   98  117  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     43  111  120  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     80  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     79  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     77  112  120  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     77  112  120  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     40  111  120  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     81  112  120  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     80  112  120  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     51  112  120  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     51  112  120  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     51  112  120  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     45  112  120  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     28  112  120  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     79  112  120  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     79  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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      7   94  120  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     41  112  120  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     41  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     79  112  120  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     80  112  120  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     81  112  120  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   22   82  115  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    5   34   96  122  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   57  105  121  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     45  111  120  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     76  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     80  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     51  112  120  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     28  112  120  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     51  112  120  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     28  112  120  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     12  112  120  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     18   86  120  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      4  100  120  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     15  108  120  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     20  106  120  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     11  112  120  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     45  112  120  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     52  112  120  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  112  120  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     81  112  120  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  112  120  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     14  112  120  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     79  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     51  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81  112  120  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     81    112    120    120    121    123    124    124    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  65.32  90.32  96.77  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   0.49   0.58   0.58   0.63   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   0.86   0.87   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   0.85

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  D    59_B      D    59_B
#   possible swapping detected:  F    65_B      F    65_B
#   possible swapping detected:  D    70_B      D    70_B
#   possible swapping detected:  Y    77_B      Y    77_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  D    87_B      D    87_B
#   possible swapping detected:  Y   100_B      Y   100_B
#   possible swapping detected:  F   106_B      F   106_B
#   possible swapping detected:  D   107_B      D   107_B
#   possible swapping detected:  D   108_B      D   108_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     2.506     0    0.584   1.377     9.594   57.262   30.847
LGA    V     2_B      V     2_B     1.103     0    0.017   0.961     3.139   81.548   75.782
LGA    Q     3_B      Q     3_B     0.534     0    0.032   0.153     2.222   92.857   83.757
LGA    L     4_B      L     4_B     0.413     0    0.030   0.053     0.596   97.619   96.429
LGA    V     5_B      V     5_B     0.349     0    0.057   0.103     0.683  100.000   98.639
LGA    E     6_B      E     6_B     0.299     0    0.043   0.165     0.933   97.619   95.767
LGA    S     7_B      S     7_B     0.528     0    0.017   0.033     0.774   95.238   93.651
LGA    G     8_B      G     8_B     0.642     0    0.076   0.076     0.984   90.476   90.476
LGA    G     9_B      G     9_B     0.365     0    0.142   0.142     1.129   95.357   95.357
LGA    G    10_B      G    10_B     0.287     0    0.049   0.049     0.327  100.000  100.000
LGA    S    11_B      S    11_B     0.151     0    0.012   0.053     0.250  100.000  100.000
LGA    V    12_B      V    12_B     0.260     0    0.064   1.123     2.492  100.000   89.932
LGA    Q    13_B      Q    13_B     0.530     0    0.026   0.807     3.092   92.857   81.376
LGA    A    14_B      A    14_B     0.402     0    0.005   0.014     0.431  100.000  100.000
LGA    G    15_B      G    15_B     0.363     0    0.053   0.053     0.366  100.000  100.000
LGA    G    16_B      G    16_B     0.409     0    0.044   0.044     0.598   95.238   95.238
LGA    S    17_B      S    17_B     0.160     0    0.060   0.677     2.494  100.000   94.127
LGA    L    18_B      L    18_B     0.265     0    0.024   0.064     0.906  100.000   96.429
LGA    R    19_B      R    19_B     0.244     0    0.006   1.005     4.594  100.000   84.199
LGA    L    20_B      L    20_B     0.280     0    0.014   0.041     0.290  100.000  100.000
LGA    S    21_B      S    21_B     0.405     0    0.043   0.672     1.652  100.000   93.889
LGA    C    22_B      C    22_B     0.300     0    0.019   0.044     0.455  100.000  100.000
LGA    A    23_B      A    23_B     0.472     0    0.056   0.081     0.485  100.000  100.000
LGA    A    24_B      A    24_B     0.675     0    0.023   0.024     0.742   90.476   90.476
LGA    S    25_B      S    25_B     0.547     0    0.043   0.617     2.803   90.476   86.508
LGA    G    26_B      G    26_B     0.694     0    0.020   0.020     0.749   90.476   90.476
LGA    S    27_B      S    27_B     0.512     0    0.099   0.273     0.704   95.238   93.651
LGA    T    28_B      T    28_B     0.534     0    0.037   1.099     2.353   90.476   84.286
LGA    V    29_B      V    29_B     0.654     0    0.038   0.079     0.672   90.476   90.476
LGA    S    30_B      S    30_B     0.854     0    0.034   0.105     1.190   90.476   88.968
LGA    A    31_B      A    31_B     0.865     0    0.025   0.027     0.890   90.476   90.476
LGA    Y    32_B      Y    32_B     0.937     0    0.033   0.164     1.382   90.476   87.460
LGA    Y    33_B      Y    33_B     0.942     0    0.058   0.222     1.628   90.476   83.016
LGA    M    34_B      M    34_B     0.598     0    0.030   0.531     2.140   90.476   87.262
LGA    A    35_B      A    35_B     0.529     0    0.022   0.031     0.529   95.238   96.190
LGA    W    36_B      W    36_B     0.475     0    0.051   0.048     0.798  100.000   93.197
LGA    F    37_B      F    37_B     0.352     0    0.042   0.078     0.471  100.000  100.000
LGA    R    38_B      R    38_B     0.286     0    0.008   0.069     1.276  100.000   93.203
LGA    Q    39_B      Q    39_B     0.163     0    0.031   0.180     1.245  100.000   95.820
LGA    A    40_B      A    40_B     0.126     0    0.035   0.056     0.555   97.619   98.095
LGA    P    41_B      P    41_B     0.385     0    0.026   0.319     0.818   95.238   95.918
LGA    G    42_B      G    42_B     1.475     0    0.108   0.108     2.425   75.119   75.119
LGA    K    43_B      K    43_B     1.134     0    0.026   0.684     3.410   81.429   72.751
LGA    G    44_B      G    44_B     1.122     0    0.068   0.068     1.158   85.952   85.952
LGA    R    45_B      R    45_B     0.441     0    0.017   0.842     4.533   97.619   79.913
LGA    E    46_B      E    46_B     0.231     0    0.032   0.320     1.180  100.000   94.762
LGA    G    47_B      G    47_B     0.289     0    0.011   0.011     0.298  100.000  100.000
LGA    V    48_B      V    48_B     0.277     0    0.018   0.045     0.453  100.000  100.000
LGA    A    49_B      A    49_B     0.496     0    0.018   0.021     0.604   95.238   94.286
LGA    V    50_B      V    50_B     0.512     0    0.009   1.113     3.147   95.238   84.898
LGA    I    51_B      I    51_B     0.309     0    0.042   1.006     2.602   82.500   73.810
LGA    G    52_B      G    52_B     3.591     0    0.694   0.694     6.507   38.214   38.214
LGA    G    53_B      G    53_B     4.130     0    0.146   0.146     4.130   46.905   46.905
LGA    S    54_B      S    54_B     3.187     0    0.545   0.522     5.273   42.381   40.714
LGA    G    55_B      G    55_B     0.957     0    0.020   0.020     1.253   85.952   85.952
LGA    V    56_B      V    56_B     0.583     0    0.034   0.084     1.073   92.857   91.905
LGA    Y    57_B      Y    57_B     0.316     0    0.021   0.126     0.786   97.619   96.032
LGA    A    58_B      A    58_B     0.415     0    0.029   0.040     0.481  100.000  100.000
LGA    D    59_B      D    59_B     0.473     0    0.027   0.125     0.651  100.000   97.619
LGA    A    60_B      A    60_B     0.532     0    0.021   0.021     0.567   92.857   92.381
LGA    V    61_B      V    61_B     0.264     0    0.037   0.084     0.428  100.000  100.000
LGA    K    62_B      K    62_B     0.562     0    0.024   0.820     2.580   92.857   84.974
LGA    G    63_B      G    63_B     0.482     0    0.037   0.037     0.482  100.000  100.000
LGA    R    64_B      R    64_B     0.261     0    0.053   0.330     1.443  100.000   95.758
LGA    F    65_B      F    65_B     0.140     0    0.038   0.108     0.219  100.000  100.000
LGA    T    66_B      T    66_B     0.121     0    0.023   0.059     0.461  100.000  100.000
LGA    I    67_B      I    67_B     0.232     0    0.038   0.089     0.424  100.000  100.000
LGA    S    68_B      S    68_B     0.377     0    0.023   0.084     0.484  100.000  100.000
LGA    Q    69_B      Q    69_B     0.278     0    0.082   0.446     1.635   97.619   92.804
LGA    D    70_B      D    70_B     0.075     0    0.097   0.124     0.320  100.000  100.000
LGA    N    71_B      N    71_B     0.207     0    0.027   1.103     2.416  100.000   91.190
LGA    A    72_B      A    72_B     0.331     0    0.085   0.091     0.702   97.619   98.095
LGA    K    73_B      K    73_B     0.469     0    0.008   0.562     1.488   97.619   93.704
LGA    N    74_B      N    74_B     0.362     0    0.008   0.231     1.207  100.000   96.488
LGA    T    75_B      T    75_B     0.264     0    0.011   0.053     0.284  100.000  100.000
LGA    L    76_B      L    76_B     0.310     0    0.060   0.699     2.689   97.619   88.810
LGA    Y    77_B      Y    77_B     0.301     0    0.014   0.072     0.353  100.000  100.000
LGA    L    78_B      L    78_B     0.351     0    0.057   0.069     0.477  100.000  100.000
LGA    Q    79_B      Q    79_B     0.224     0    0.060   0.917     3.910  100.000   85.873
LGA    M    80_B      M    80_B     0.250     0    0.036   0.784     2.495  100.000   94.405
LGA    N    81_B      N    81_B     0.222     0    0.037   0.345     1.455  100.000   97.679
LGA    S    82_B      S    82_B     0.105     0    0.038   0.041     0.318  100.000  100.000
LGA    L    83_B      L    83_B     0.340     0    0.010   0.065     0.398  100.000  100.000
LGA    K    84_B      K    84_B     0.317     0    0.044   0.686     1.945  100.000   92.910
LGA    P    85_B      P    85_B     0.193     0    0.070   0.091     0.229  100.000  100.000
LGA    E    86_B      E    86_B     0.219     0    0.047   0.536     1.727  100.000   92.804
LGA    D    87_B      D    87_B     0.177     0    0.026   0.067     0.371  100.000  100.000
LGA    T    88_B      T    88_B     0.259     0    0.061   0.124     0.490  100.000  100.000
LGA    A    89_B      A    89_B     0.253     0    0.058   0.089     0.351  100.000  100.000
LGA    M    90_B      M    90_B     0.109     0    0.040   1.024     2.002  100.000   89.881
LGA    Y    91_B      Y    91_B     0.280     0    0.014   0.061     0.413  100.000  100.000
LGA    Y    92_B      Y    92_B     0.397     0    0.009   0.073     0.460  100.000  100.000
LGA    C    93_B      C    93_B     0.337     0    0.016   0.601     2.366  100.000   94.127
LGA    A    94_B      A    94_B     0.373     0    0.033   0.031     0.563   97.619   98.095
LGA    A    95_B      A    95_B     0.610     0    0.029   0.043     0.640   90.476   90.476
LGA    Y    96_B      Y    96_B     0.875     0    0.039   0.131     2.205   90.476   80.198
LGA    W    97_B      W    97_B     0.778     0    0.027   1.185     4.528   90.476   75.510
LGA    K    98_B      K    98_B     1.014     0    0.043   0.078     1.257   85.952   83.439
LGA    G    99_B      G    99_B     1.071     0    0.053   0.053     1.504   79.286   79.286
LGA    Y   100_B      Y   100_B     1.605     0    0.684   0.544     3.399   69.286   70.317
LGA    K   101_B      K   101_B     1.582     0    0.336   0.643     2.917   75.000   67.619
LGA    Y   102_B      Y   102_B     1.406     0    0.026   0.087     2.592   81.429   71.706
LGA    H   103_B      H   103_B     1.600     0    0.021   0.120     2.663   79.405   69.905
LGA    P   104_B      P   104_B     1.242     0    0.096   0.255     2.532   83.690   76.803
LGA    K   105_B      K   105_B     0.841     0    0.024   0.781     3.989   88.214   75.079
LGA    F   106_B      F   106_B     0.693     0    0.051   0.255     0.980   90.476   90.476
LGA    D   107_B      D   107_B     0.821     0    0.026   0.056     1.131   90.476   89.345
LGA    D   108_B      D   108_B     0.403     0    0.047   0.486     1.555   95.238   91.845
LGA    S   109_B      S   109_B     1.094     0    0.020   0.050     1.561   83.690   81.508
LGA    A   110_B      A   110_B     1.316     0    0.048   0.054     1.573   81.429   79.714
LGA    Y   111_B      Y   111_B     0.551     0    0.060   0.105     1.182   92.857   91.310
LGA    E   112_B      E   112_B     0.295     0    0.024   0.577     2.298  100.000   92.910
LGA    Y   113_B      Y   113_B     0.223     0    0.058   0.080     0.945  100.000   94.444
LGA    W   114_B      W   114_B     0.214     0    0.030   0.067     0.424  100.000  100.000
LGA    G   115_B      G   115_B     0.319     0    0.043   0.043     0.445  100.000  100.000
LGA    Q   116_B      Q   116_B     0.385     0    0.018   0.965     4.771   97.619   81.587
LGA    G   117_B      G   117_B     0.653     0    0.057   0.057     0.653   95.238   95.238
LGA    T   118_B      T   118_B     0.312     0    0.021   1.286     2.817  100.000   87.483
LGA    Q   119_B      Q   119_B     0.295     0    0.025   0.094     0.417  100.000  100.000
LGA    V   120_B      V   120_B     0.204     0    0.022   0.053     0.277  100.000  100.000
LGA    T   121_B      T   121_B     0.164     0    0.019   0.079     0.306  100.000  100.000
LGA    V   122_B      V   122_B     0.171     0    0.059   0.084     0.481  100.000  100.000
LGA    S   123_B      S   123_B     0.214     0    0.100   0.143     0.450  100.000  100.000
LGA    S   124_B      S   124_B     0.491     0    0.335   0.757     3.253   92.976   85.397

# 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):     0.852          0.922                  1.286           93.618   90.176

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    124    0.85    96.774    98.560    13.027

LGA_LOCAL      RMSD:   0.852  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.852  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   0.852  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.752038 * X  +   0.510017 * Y  +   0.417518 * Z  +   1.255661
  Y_new =   0.372120 * X  +  -0.194306 * Y  +   0.907619 * Z  + -40.155582
  Z_new =   0.544027 * X  +   0.837931 * Y  +  -0.043662 * Z  +  18.105154 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.682102 -0.575229  1.622856   [DEG:  153.6731  -32.9582   92.9828 ]
ZXZ:  2.710442  1.614472  0.575848   [DEG:  155.2969   92.5024   32.9937 ]
 
# END of job
