
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  124 (  941),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  941),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.82     0.82
  LCS_AVERAGE:    100.00

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

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

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     Q     1_B     Q     1_B    124  124  124      5   45  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     32  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     87  112  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     89  112  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     89  112  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     89  112  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     89  112  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     77  112  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     77  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     88  112  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     86  112  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     89  112  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     89  112  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     89  112  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     78  112  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     86  112  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     48  112  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     78  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     88  112  119  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B    124  124  124     19   90  117  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     48  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  119  120  121  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B    124  124  124      3    4   78   99  119  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B    124  124  124      3    4    4    6   91  113  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   21  101  119  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B    124  124  124     45  112  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     88  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     48  112  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     88  112  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     48  112  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     48  112  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     22  105  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      3   90  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     21   88  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     13  105  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     17  112  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     48  112  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     88  112  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     79  112  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     89  112  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     49  112  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     17  111  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89  112  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     89    112    119    120    121    123    124    124    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  71.77  90.32  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    0.28   0.41   0.51   0.53   0.59   0.73   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82
GDT RMS_ALL_AT   0.83   0.83   0.84   0.84   0.83   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  Y    91_B      Y    91_B
#   possible swapping detected:  Y    92_B      Y    92_B
#   possible swapping detected:  Y    96_B      Y    96_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   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     2.530     0    0.624   1.343     9.428   55.595   30.529
LGA    V     2_B      V     2_B     1.330     0    0.036   1.009     3.278   77.143   73.265
LGA    Q     3_B      Q     3_B     0.656     0    0.045   0.139     2.202   92.857   84.709
LGA    L     4_B      L     4_B     0.347     0    0.018   0.064     0.453  100.000  100.000
LGA    V     5_B      V     5_B     0.353     0    0.054   0.106     0.552  100.000   98.639
LGA    E     6_B      E     6_B     0.340     0    0.063   0.140     0.689   97.619   97.884
LGA    S     7_B      S     7_B     0.536     0    0.036   0.052     0.729   92.857   92.063
LGA    G     8_B      G     8_B     0.693     0    0.043   0.043     0.948   90.476   90.476
LGA    G     9_B      G     9_B     0.600     0    0.056   0.056     0.810   90.476   90.476
LGA    G    10_B      G    10_B     0.279     0    0.024   0.024     0.286  100.000  100.000
LGA    S    11_B      S    11_B     0.140     0    0.026   0.051     0.268  100.000  100.000
LGA    V    12_B      V    12_B     0.155     0    0.068   1.107     2.516  100.000   88.844
LGA    Q    13_B      Q    13_B     0.368     0    0.034   0.878     3.316   97.619   84.339
LGA    A    14_B      A    14_B     0.270     0    0.023   0.058     0.316  100.000  100.000
LGA    G    15_B      G    15_B     0.385     0    0.032   0.032     0.414  100.000  100.000
LGA    G    16_B      G    16_B     0.412     0    0.033   0.033     0.419  100.000  100.000
LGA    S    17_B      S    17_B     0.152     0    0.098   0.679     2.395  100.000   94.127
LGA    L    18_B      L    18_B     0.217     0    0.026   0.074     0.577  100.000   97.619
LGA    R    19_B      R    19_B     0.124     0    0.055   0.999     4.708  100.000   82.597
LGA    L    20_B      L    20_B     0.310     0    0.026   0.072     0.404  100.000  100.000
LGA    S    21_B      S    21_B     0.306     0    0.010   0.131     0.639  100.000   96.825
LGA    C    22_B      C    22_B     0.190     0    0.007   0.140     0.676  100.000   98.413
LGA    A    23_B      A    23_B     0.261     0    0.092   0.124     0.294  100.000  100.000
LGA    A    24_B      A    24_B     0.515     0    0.027   0.033     0.643   95.238   96.190
LGA    S    25_B      S    25_B     0.479     0    0.037   0.558     2.533   95.238   89.683
LGA    G    26_B      G    26_B     0.592     0    0.080   0.080     1.132   88.214   88.214
LGA    S    27_B      S    27_B     0.502     0    0.053   0.471     2.112   95.238   89.365
LGA    T    28_B      T    28_B     0.375     0    0.101   1.099     2.308   97.619   88.571
LGA    V    29_B      V    29_B     0.572     0    0.050   0.085     0.639   92.857   91.837
LGA    S    30_B      S    30_B     0.714     0    0.049   0.162     0.973   90.476   90.476
LGA    A    31_B      A    31_B     0.796     0    0.026   0.038     0.803   90.476   90.476
LGA    Y    32_B      Y    32_B     0.797     0    0.021   0.086     1.019   90.476   89.722
LGA    Y    33_B      Y    33_B     0.726     0    0.054   0.154     0.980   90.476   90.476
LGA    M    34_B      M    34_B     0.466     0    0.055   0.612     2.115   92.857   90.833
LGA    A    35_B      A    35_B     0.431     0    0.033   0.033     0.443  100.000  100.000
LGA    W    36_B      W    36_B     0.391     0    0.055   0.057     0.474  100.000  100.000
LGA    F    37_B      F    37_B     0.241     0    0.037   0.054     0.339  100.000  100.000
LGA    R    38_B      R    38_B     0.158     0    0.015   0.084     0.808  100.000   97.403
LGA    Q    39_B      Q    39_B     0.165     0    0.038   0.221     0.674  100.000   97.884
LGA    A    40_B      A    40_B     0.255     0    0.015   0.034     0.628   97.619   98.095
LGA    P    41_B      P    41_B     0.631     0    0.029   0.335     1.141   92.857   93.265
LGA    G    42_B      G    42_B     1.711     0    0.101   0.101     2.367   72.976   72.976
LGA    K    43_B      K    43_B     0.939     0    0.020   0.581     1.538   88.214   85.503
LGA    G    44_B      G    44_B     0.427     0    0.034   0.034     0.736   95.238   95.238
LGA    R    45_B      R    45_B     0.150     0    0.014   0.268     1.620  100.000   92.424
LGA    E    46_B      E    46_B     0.479     0    0.079   0.810     3.018  100.000   89.259
LGA    G    47_B      G    47_B     0.303     0    0.021   0.021     0.303  100.000  100.000
LGA    V    48_B      V    48_B     0.249     0    0.018   0.050     0.433  100.000  100.000
LGA    A    49_B      A    49_B     0.388     0    0.032   0.041     0.572   97.619   98.095
LGA    V    50_B      V    50_B     0.450     0    0.024   1.076     3.055  100.000   87.619
LGA    I    51_B      I    51_B     0.272     0    0.034   0.990     2.631   84.405   76.726
LGA    G    52_B      G    52_B     3.091     0    0.696   0.696     6.218   42.262   42.262
LGA    G    53_B      G    53_B     4.316     0    0.331   0.331     4.316   48.810   48.810
LGA    S    54_B      S    54_B     3.391     0    0.559   0.537     5.558   41.190   38.016
LGA    G    55_B      G    55_B     0.873     0    0.033   0.033     1.212   88.214   88.214
LGA    V    56_B      V    56_B     0.512     0    0.027   0.102     1.070   95.238   93.265
LGA    Y    57_B      Y    57_B     0.219     0    0.017   0.063     0.437  100.000  100.000
LGA    A    58_B      A    58_B     0.264     0    0.022   0.041     0.397  100.000  100.000
LGA    D    59_B      D    59_B     0.422     0    0.020   0.217     0.952  100.000   96.429
LGA    A    60_B      A    60_B     0.272     0    0.039   0.036     0.343  100.000  100.000
LGA    V    61_B      V    61_B     0.185     0    0.014   0.054     0.396  100.000  100.000
LGA    K    62_B      K    62_B     0.264     0    0.026   0.602     2.148  100.000   92.910
LGA    G    63_B      G    63_B     0.298     0    0.020   0.020     0.365  100.000  100.000
LGA    R    64_B      R    64_B     0.330     0    0.023   0.110     0.631  100.000   97.403
LGA    F    65_B      F    65_B     0.153     0    0.018   0.079     0.231  100.000  100.000
LGA    T    66_B      T    66_B     0.228     0    0.045   0.047     0.520  100.000   98.639
LGA    I    67_B      I    67_B     0.247     0    0.051   0.076     0.336  100.000  100.000
LGA    S    68_B      S    68_B     0.328     0    0.041   0.062     0.456  100.000  100.000
LGA    Q    69_B      Q    69_B     0.276     0    0.104   0.504     2.438   97.619   84.180
LGA    D    70_B      D    70_B     0.079     0    0.040   0.096     0.253  100.000  100.000
LGA    N    71_B      N    71_B     0.123     0    0.016   1.056     2.362  100.000   92.202
LGA    A    72_B      A    72_B     0.294     0    0.102   0.118     0.497  100.000  100.000
LGA    K    73_B      K    73_B     0.248     0    0.042   0.608     2.226  100.000   95.026
LGA    N    74_B      N    74_B     0.225     0    0.048   0.226     0.833  100.000   97.619
LGA    T    75_B      T    75_B     0.137     0    0.028   0.058     0.199  100.000  100.000
LGA    L    76_B      L    76_B     0.264     0    0.059   0.695     2.486  100.000   90.952
LGA    Y    77_B      Y    77_B     0.262     0    0.025   0.032     0.379  100.000  100.000
LGA    L    78_B      L    78_B     0.350     0    0.032   0.051     0.510  100.000   97.619
LGA    Q    79_B      Q    79_B     0.268     0    0.032   0.930     3.828  100.000   85.873
LGA    M    80_B      M    80_B     0.277     0    0.039   0.123     0.382  100.000  100.000
LGA    N    81_B      N    81_B     0.156     0    0.028   0.256     1.185  100.000   96.488
LGA    S    82_B      S    82_B     0.209     0    0.039   0.076     0.434  100.000  100.000
LGA    L    83_B      L    83_B     0.311     0    0.017   0.074     0.449  100.000  100.000
LGA    K    84_B      K    84_B     0.262     0    0.031   0.655     1.811  100.000   93.862
LGA    P    85_B      P    85_B     0.111     0    0.028   0.042     0.294  100.000  100.000
LGA    E    86_B      E    86_B     0.283     0    0.025   0.535     1.755  100.000   91.746
LGA    D    87_B      D    87_B     0.168     0    0.017   0.089     0.375  100.000  100.000
LGA    T    88_B      T    88_B     0.121     0    0.102   0.151     0.706   97.619   98.639
LGA    A    89_B      A    89_B     0.215     0    0.022   0.025     0.279  100.000  100.000
LGA    M    90_B      M    90_B     0.208     0    0.032   1.006     2.060  100.000   89.881
LGA    Y    91_B      Y    91_B     0.201     0    0.041   0.080     0.230  100.000  100.000
LGA    Y    92_B      Y    92_B     0.407     0    0.022   0.089     0.496  100.000  100.000
LGA    C    93_B      C    93_B     0.226     0    0.022   0.724     2.767  100.000   92.857
LGA    A    94_B      A    94_B     0.244     0    0.042   0.053     0.390  100.000  100.000
LGA    A    95_B      A    95_B     0.513     0    0.007   0.028     0.513   95.238   96.190
LGA    Y    96_B      Y    96_B     0.719     0    0.030   0.194     2.504   90.476   78.968
LGA    W    97_B      W    97_B     0.690     0    0.049   0.698     2.398   90.476   84.966
LGA    K    98_B      K    98_B     0.862     0    0.075   0.140     1.122   90.476   89.471
LGA    G    99_B      G    99_B     0.837     0    0.085   0.085     1.492   85.952   85.952
LGA    Y   100_B      Y   100_B     1.496     0    0.614   0.533     3.391   71.429   71.706
LGA    K   101_B      K   101_B     1.583     0    0.273   0.659     3.148   70.833   63.333
LGA    Y   102_B      Y   102_B     1.742     0    0.034   1.301     8.322   72.857   47.579
LGA    H   103_B      H   103_B     1.481     0    0.018   0.206     2.216   79.286   73.810
LGA    P   104_B      P   104_B     1.075     0    0.041   0.266     1.910   85.952   82.789
LGA    K   105_B      K   105_B     0.923     0    0.023   0.773     4.042   88.214   74.392
LGA    F   106_B      F   106_B     0.588     0    0.017   0.240     1.100   90.476   89.654
LGA    D   107_B      D   107_B     0.693     0    0.092   0.131     1.070   88.214   88.214
LGA    D   108_B      D   108_B     0.357     0    0.014   0.279     1.164   97.619   94.107
LGA    S   109_B      S   109_B     1.119     0    0.016   0.034     1.522   83.690   81.508
LGA    A   110_B      A   110_B     1.262     0    0.012   0.025     1.437   81.429   81.429
LGA    Y   111_B      Y   111_B     0.536     0    0.125   0.121     0.806   92.857   92.063
LGA    E   112_B      E   112_B     0.150     0    0.028   0.850     3.130  100.000   87.513
LGA    Y   113_B      Y   113_B     0.144     0    0.052   0.080     0.829  100.000   96.032
LGA    W   114_B      W   114_B     0.242     0    0.030   0.053     0.418  100.000  100.000
LGA    G   115_B      G   115_B     0.271     0    0.062   0.062     0.640   97.619   97.619
LGA    Q   116_B      Q   116_B     0.278     0    0.016   0.988     4.710  100.000   82.646
LGA    G   117_B      G   117_B     0.347     0    0.056   0.056     0.358  100.000  100.000
LGA    T   118_B      T   118_B     0.346     0    0.026   1.284     2.688  100.000   87.483
LGA    Q   119_B      Q   119_B     0.332     0    0.018   0.087     0.436  100.000  100.000
LGA    V   120_B      V   120_B     0.137     0    0.021   0.056     0.350  100.000  100.000
LGA    T   121_B      T   121_B     0.149     0    0.005   0.065     0.308  100.000  100.000
LGA    V   122_B      V   122_B     0.062     0    0.042   0.086     0.294  100.000  100.000
LGA    S   123_B      S   123_B     0.165     0    0.067   0.131     0.439  100.000  100.000
LGA    S   124_B      S   124_B     0.501     0    0.392   0.833     3.270   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):     0.822          0.900                  1.298           94.336   91.080

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    124    0.82    96.774    98.500    13.451

LGA_LOCAL      RMSD:   0.822  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.822  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   0.822  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.878137 * X  +  -0.454654 * Y  +  -0.148879 * Z  +   0.395471
  Y_new =   0.268385 * X  +   0.725784 * Y  +  -0.633410 * Z  + -40.068302
  Z_new =   0.396037 * X  +   0.516263 * Y  +   0.759360 * Z  +  18.014814 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.296614 -0.407197  0.597086   [DEG:   16.9947  -23.3306   34.2105 ]
ZXZ: -0.230854  0.708468  0.654369   [DEG:  -13.2270   40.5922   37.4926 ]
 
# END of job
