
#######################################################
#                                                     #
#                        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       0.84     0.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.84     0.84
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.84     0.84
  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   23   61  116  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     24  100  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     82  114  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     88  114  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     88  114  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     88  114  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     87  114  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     61  114  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     37  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     85  114  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     37  114  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     85  114  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     18  114  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     19  114  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     19  114  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     19  114  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     19  114  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     19  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     87  114  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     30  109  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     82  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     83  114  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     88  114  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    4   27   72  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    3   38   86  123  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   61  104  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     38  114  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     85  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     19  114  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     88  114  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     81  114  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     88  114  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     63  114  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     80  114  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     63  114  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     33   87  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     12  113  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     18  114  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     88  114  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     33  114  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     54  114  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     33   87  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     33   87  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88  114  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     88    114    120    120    121    123    124    124    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  70.97  91.94  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    0.31   0.46   0.54   0.54   0.61   0.76   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84
GDT RMS_ALL_AT   0.86   0.86   0.86   0.86   0.86   0.85   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84   0.84

# 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     2.873     0    0.614   1.368     9.833   53.690   28.677
LGA    V     2_B      V     2_B     1.367     0    0.037   0.974     3.383   77.143   73.265
LGA    Q     3_B      Q     3_B     0.606     0    0.054   0.249     2.600   92.857   83.862
LGA    L     4_B      L     4_B     0.435     0    0.021   0.061     0.577   97.619   98.810
LGA    V     5_B      V     5_B     0.406     0    0.054   0.108     0.608  100.000   98.639
LGA    E     6_B      E     6_B     0.378     0    0.062   0.136     0.697   97.619   97.884
LGA    S     7_B      S     7_B     0.598     0    0.023   0.059     0.665   92.857   92.063
LGA    G     8_B      G     8_B     0.879     0    0.039   0.039     1.195   85.952   85.952
LGA    G     9_B      G     9_B     0.861     0    0.094   0.094     1.132   88.214   88.214
LGA    G    10_B      G    10_B     0.305     0    0.011   0.011     0.311  100.000  100.000
LGA    S    11_B      S    11_B     0.217     0    0.049   0.085     0.405  100.000  100.000
LGA    V    12_B      V    12_B     0.328     0    0.098   0.973     2.217  100.000   89.728
LGA    Q    13_B      Q    13_B     0.167     0    0.035   0.911     3.245   97.619   84.550
LGA    A    14_B      A    14_B     0.162     0    0.030   0.070     0.186  100.000  100.000
LGA    G    15_B      G    15_B     0.161     0    0.034   0.034     0.301  100.000  100.000
LGA    G    16_B      G    16_B     0.555     0    0.024   0.024     0.555   97.619   97.619
LGA    S    17_B      S    17_B     0.172     0    0.088   0.665     2.305  100.000   94.127
LGA    L    18_B      L    18_B     0.234     0    0.038   1.300     3.102   97.619   84.643
LGA    R    19_B      R    19_B     0.207     0    0.055   0.980     4.656  100.000   82.597
LGA    L    20_B      L    20_B     0.381     0    0.031   0.086     0.521  100.000   98.810
LGA    S    21_B      S    21_B     0.430     0    0.022   0.560     1.326  100.000   95.317
LGA    C    22_B      C    22_B     0.343     0    0.017   0.136     0.776  100.000   98.413
LGA    A    23_B      A    23_B     0.335     0    0.088   0.120     0.356  100.000  100.000
LGA    A    24_B      A    24_B     0.549     0    0.025   0.031     0.671   95.238   96.190
LGA    S    25_B      S    25_B     0.532     0    0.066   0.559     2.453   90.476   87.778
LGA    G    26_B      G    26_B     0.834     0    0.035   0.035     1.091   88.214   88.214
LGA    S    27_B      S    27_B     0.521     0    0.096   0.272     0.682   95.238   95.238
LGA    T    28_B      T    28_B     0.739     0    0.078   1.091     2.391   90.476   84.286
LGA    V    29_B      V    29_B     0.915     0    0.048   0.068     0.990   90.476   90.476
LGA    S    30_B      S    30_B     0.887     0    0.046   0.184     1.220   88.214   87.460
LGA    A    31_B      A    31_B     0.890     0    0.028   0.038     0.916   90.476   90.476
LGA    Y    32_B      Y    32_B     1.051     0    0.033   0.230     1.792   83.690   80.794
LGA    Y    33_B      Y    33_B     0.949     0    0.038   0.174     1.451   90.595   85.992
LGA    M    34_B      M    34_B     0.473     0    0.072   0.661     2.246   90.595   89.702
LGA    A    35_B      A    35_B     0.445     0    0.035   0.033     0.450  100.000  100.000
LGA    W    36_B      W    36_B     0.437     0    0.061   0.055     0.756  100.000   93.878
LGA    F    37_B      F    37_B     0.346     0    0.036   0.064     0.353  100.000  100.000
LGA    R    38_B      R    38_B     0.242     0    0.013   0.149     0.729  100.000   98.268
LGA    Q    39_B      Q    39_B     0.309     0    0.019   0.190     0.906  100.000   98.942
LGA    A    40_B      A    40_B     0.359     0    0.011   0.029     0.561   97.619   98.095
LGA    P    41_B      P    41_B     0.615     0    0.024   0.346     1.292   92.857   91.905
LGA    G    42_B      G    42_B     1.344     0    0.120   0.120     1.975   79.286   79.286
LGA    K    43_B      K    43_B     0.816     0    0.021   0.589     1.356   90.476   87.460
LGA    G    44_B      G    44_B     0.486     0    0.038   0.038     0.844   92.857   92.857
LGA    R    45_B      R    45_B     0.229     0    0.012   0.225     2.117  100.000   89.307
LGA    E    46_B      E    46_B     0.399     0    0.045   0.333     1.495  100.000   92.698
LGA    G    47_B      G    47_B     0.307     0    0.013   0.013     0.311  100.000  100.000
LGA    V    48_B      V    48_B     0.355     0    0.016   0.059     0.513  100.000   98.639
LGA    A    49_B      A    49_B     0.373     0    0.011   0.013     0.509   97.619   98.095
LGA    V    50_B      V    50_B     0.544     0    0.007   1.060     2.862   97.619   88.503
LGA    I    51_B      I    51_B     0.394     0    0.031   1.001     2.757   82.500   72.738
LGA    G    52_B      G    52_B     3.545     0    0.658   0.658     6.507   38.214   38.214
LGA    G    53_B      G    53_B     4.186     0    0.171   0.171     4.186   48.810   48.810
LGA    S    54_B      S    54_B     3.384     0    0.535   0.508     5.605   41.190   37.222
LGA    G    55_B      G    55_B     0.938     0    0.022   0.022     1.236   88.214   88.214
LGA    V    56_B      V    56_B     0.511     0    0.043   0.116     1.110   95.238   93.265
LGA    Y    57_B      Y    57_B     0.232     0    0.021   0.069     0.518  100.000   99.206
LGA    A    58_B      A    58_B     0.249     0    0.015   0.029     0.318  100.000  100.000
LGA    D    59_B      D    59_B     0.290     0    0.026   0.216     0.727  100.000   98.810
LGA    A    60_B      A    60_B     0.261     0    0.030   0.031     0.286  100.000  100.000
LGA    V    61_B      V    61_B     0.164     0    0.013   0.057     0.398  100.000  100.000
LGA    K    62_B      K    62_B     0.259     0    0.025   0.792     2.720  100.000   88.201
LGA    G    63_B      G    63_B     0.317     0    0.020   0.020     0.355  100.000  100.000
LGA    R    64_B      R    64_B     0.233     0    0.014   0.072     0.383  100.000  100.000
LGA    F    65_B      F    65_B     0.160     0    0.038   0.093     0.372  100.000  100.000
LGA    T    66_B      T    66_B     0.243     0    0.039   0.070     0.599  100.000   98.639
LGA    I    67_B      I    67_B     0.315     0    0.049   0.073     0.421  100.000  100.000
LGA    S    68_B      S    68_B     0.396     0    0.042   0.084     0.464  100.000  100.000
LGA    Q    69_B      Q    69_B     0.165     0    0.100   0.550     1.883   97.619   89.788
LGA    D    70_B      D    70_B     0.084     0    0.031   0.125     0.622  100.000   98.810
LGA    N    71_B      N    71_B     0.170     0    0.014   1.072     2.428  100.000   92.202
LGA    A    72_B      A    72_B     0.472     0    0.112   0.128     0.695  100.000   98.095
LGA    K    73_B      K    73_B     0.349     0    0.039   0.599     2.749  100.000   94.180
LGA    N    74_B      N    74_B     0.104     0    0.035   0.241     0.747  100.000   98.810
LGA    T    75_B      T    75_B     0.258     0    0.025   0.042     0.297  100.000  100.000
LGA    L    76_B      L    76_B     0.446     0    0.053   0.688     2.600   97.619   88.810
LGA    Y    77_B      Y    77_B     0.365     0    0.022   0.060     0.442  100.000  100.000
LGA    L    78_B      L    78_B     0.446     0    0.031   0.054     0.570  100.000   95.238
LGA    Q    79_B      Q    79_B     0.355     0    0.021   0.939     3.781  100.000   85.714
LGA    M    80_B      M    80_B     0.271     0    0.031   0.124     0.406  100.000  100.000
LGA    N    81_B      N    81_B     0.207     0    0.030   0.330     1.424  100.000   95.298
LGA    S    82_B      S    82_B     0.206     0    0.053   0.082     0.458  100.000  100.000
LGA    L    83_B      L    83_B     0.242     0    0.021   0.082     0.329  100.000  100.000
LGA    K    84_B      K    84_B     0.298     0    0.033   0.658     1.816  100.000   93.862
LGA    P    85_B      P    85_B     0.152     0    0.020   0.038     0.247  100.000  100.000
LGA    E    86_B      E    86_B     0.194     0    0.036   0.584     1.811  100.000   93.862
LGA    D    87_B      D    87_B     0.197     0    0.012   0.091     0.261  100.000  100.000
LGA    T    88_B      T    88_B     0.202     0    0.092   0.141     0.591   97.619   98.639
LGA    A    89_B      A    89_B     0.293     0    0.022   0.025     0.349  100.000  100.000
LGA    M    90_B      M    90_B     0.277     0    0.024   1.019     2.044  100.000   89.881
LGA    Y    91_B      Y    91_B     0.223     0    0.033   0.082     0.249  100.000  100.000
LGA    Y    92_B      Y    92_B     0.444     0    0.029   0.114     0.575  100.000   97.619
LGA    C    93_B      C    93_B     0.225     0    0.025   0.729     2.723  100.000   92.857
LGA    A    94_B      A    94_B     0.271     0    0.036   0.042     0.398  100.000  100.000
LGA    A    95_B      A    95_B     0.392     0    0.005   0.028     0.441  100.000  100.000
LGA    Y    96_B      Y    96_B     0.730     0    0.028   0.177     2.240   90.476   80.952
LGA    W    97_B      W    97_B     0.691     0    0.052   0.207     1.086   90.476   89.864
LGA    K    98_B      K    98_B     0.795     0    0.023   0.196     1.274   90.476   87.460
LGA    G    99_B      G    99_B     0.675     0    0.115   0.115     1.201   88.214   88.214
LGA    Y   100_B      Y   100_B     0.806     0    0.037   0.147     1.276   90.476   85.198
LGA    K   101_B      K   101_B     0.878     0    0.282   0.696     2.230   81.786   82.698
LGA    Y   102_B      Y   102_B     0.979     0    0.061   0.155     1.702   83.810   80.079
LGA    H   103_B      H   103_B     1.546     0    0.041   0.205     2.760   79.286   69.857
LGA    P   104_B      P   104_B     1.260     0    0.091   0.282     2.520   83.690   76.803
LGA    K   105_B      K   105_B     0.949     0    0.025   0.760     4.024   85.952   73.386
LGA    F   106_B      F   106_B     0.428     0    0.014   0.204     0.628   92.857   93.939
LGA    D   107_B      D   107_B     0.950     0    0.064   0.088     1.773   88.214   83.750
LGA    D   108_B      D   108_B     0.753     0    0.028   0.335     1.837   90.476   86.012
LGA    S   109_B      S   109_B     1.457     0    0.021   0.039     1.864   79.286   77.143
LGA    A   110_B      A   110_B     1.411     0    0.033   0.050     1.540   81.429   79.714
LGA    Y   111_B      Y   111_B     0.471     0    0.142   0.145     0.764   95.238   95.238
LGA    E   112_B      E   112_B     0.236     0    0.015   0.804     3.033  100.000   87.513
LGA    Y   113_B      Y   113_B     0.244     0    0.055   0.108     1.408  100.000   91.429
LGA    W   114_B      W   114_B     0.374     0    0.035   0.060     0.538   97.619   97.279
LGA    G   115_B      G   115_B     0.409     0    0.057   0.057     0.696   97.619   97.619
LGA    Q   116_B      Q   116_B     0.421     0    0.020   1.052     5.322  100.000   79.365
LGA    G   117_B      G   117_B     0.218     0    0.040   0.040     0.309  100.000  100.000
LGA    T   118_B      T   118_B     0.474     0    0.027   1.247     2.720  100.000   87.483
LGA    Q   119_B      Q   119_B     0.437     0    0.019   0.107     0.534  100.000   96.825
LGA    V   120_B      V   120_B     0.170     0    0.025   0.079     0.443  100.000  100.000
LGA    T   121_B      T   121_B     0.286     0    0.009   0.090     0.548  100.000   98.639
LGA    V   122_B      V   122_B     0.170     0    0.053   0.100     0.368  100.000  100.000
LGA    S   123_B      S   123_B     0.202     0    0.072   0.740     1.919  100.000   95.476
LGA    S   124_B      S   124_B     0.561     0    0.392   0.833     3.464   90.833   82.460

# 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          0.915                  1.240           94.243   90.880

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    124    0.84    97.177    98.688    13.122

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 =  -0.163661 * X  +  -0.136662 * Y  +  -0.977005 * Z  +   2.267967
  Y_new =   0.984969 * X  +  -0.078082 * Y  +  -0.154073 * Z  + -42.186882
  Z_new =  -0.055230 * X  +  -0.987536 * Y  +   0.147387 * Z  +  19.129818 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.735450  0.055258 -1.422642   [DEG:   99.4340    3.1661  -81.5114 ]
ZXZ: -1.414385  1.422870 -3.085723   [DEG:  -81.0383   81.5245 -176.7989 ]
 
# END of job
