
#######################################################
#                                                     #
#                        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       0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       0.81     0.81
  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   25   91  120  122  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     30  103  120  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B    124  124  124     84  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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     64  114  120  120  122  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     64  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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     84  114  120  120  122  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  114  120  120  122  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     64  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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     67  114  120  120  122  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     67  114  120  120  122  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     29  114  120  120  122  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     29  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  122  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      8   96  120  120  122  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     69  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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   40   84  116  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   65   99  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   68  108  122  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     78  114  120  120  122  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     87  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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     84  114  120  120  122  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     89  114  120  120  122  123  124  124  124  124  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B    124  124  124     86  114  120  120  122  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     89  114  120  120  122  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  114  120  120  122  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     47  114  120  120  122  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     47  114  120  120  122  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     32  106  120  120  122  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     15  113  120  120  122  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     47  114  120  120  122  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     89  114  120  120  122  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     39  114  120  120  122  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  114  120  120  122  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     37  106  120  120  122  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     37  113  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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  114  120  120  122  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    114    120    120    122    123    124    124    124    124    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  71.77  91.94  96.77  96.77  98.39  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   0.43   0.51   0.51   0.65   0.73   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81
GDT RMS_ALL_AT   0.82   0.82   0.83   0.83   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81

# 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   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     2.711     0    0.616   1.335     9.818   53.690   28.677
LGA    V     2_B      V     2_B     1.268     0    0.030   0.956     3.190   79.286   74.490
LGA    Q     3_B      Q     3_B     0.602     0    0.045   0.236     2.590   92.857   83.862
LGA    L     4_B      L     4_B     0.456     0    0.019   0.058     0.563   95.238   97.619
LGA    V     5_B      V     5_B     0.409     0    0.053   0.106     0.579  100.000   98.639
LGA    E     6_B      E     6_B     0.408     0    0.067   0.141     0.758   97.619   97.884
LGA    S     7_B      S     7_B     0.554     0    0.025   0.049     0.657   92.857   92.063
LGA    G     8_B      G     8_B     0.816     0    0.044   0.044     1.143   88.214   88.214
LGA    G     9_B      G     9_B     0.719     0    0.073   0.073     1.041   88.214   88.214
LGA    G    10_B      G    10_B     0.263     0    0.019   0.019     0.263  100.000  100.000
LGA    S    11_B      S    11_B     0.108     0    0.057   0.096     0.401  100.000  100.000
LGA    V    12_B      V    12_B     0.381     0    0.094   0.989     2.231  100.000   89.728
LGA    Q    13_B      Q    13_B     0.217     0    0.037   0.888     3.562   97.619   83.757
LGA    A    14_B      A    14_B     0.258     0    0.030   0.069     0.271  100.000  100.000
LGA    G    15_B      G    15_B     0.233     0    0.026   0.026     0.327  100.000  100.000
LGA    G    16_B      G    16_B     0.535     0    0.024   0.024     0.535   97.619   97.619
LGA    S    17_B      S    17_B     0.211     0    0.089   0.664     2.244  100.000   94.127
LGA    L    18_B      L    18_B     0.241     0    0.044   1.306     3.091  100.000   85.833
LGA    R    19_B      R    19_B     0.186     0    0.074   0.952     4.595   97.619   81.732
LGA    L    20_B      L    20_B     0.372     0    0.027   0.096     0.534  100.000   98.810
LGA    S    21_B      S    21_B     0.358     0    0.009   0.142     0.576  100.000   98.413
LGA    C    22_B      C    22_B     0.380     0    0.025   0.145     0.864  100.000   98.413
LGA    A    23_B      A    23_B     0.353     0    0.092   0.126     0.381  100.000  100.000
LGA    A    24_B      A    24_B     0.597     0    0.021   0.033     0.722   90.476   90.476
LGA    S    25_B      S    25_B     0.552     0    0.071   0.585     2.446   90.476   87.778
LGA    G    26_B      G    26_B     0.781     0    0.037   0.037     0.998   90.476   90.476
LGA    S    27_B      S    27_B     0.350     0    0.080   0.245     0.561   97.619   98.413
LGA    T    28_B      T    28_B     0.407     0    0.096   1.121     2.220   97.619   88.571
LGA    V    29_B      V    29_B     0.580     0    0.052   0.121     0.678   92.857   91.837
LGA    S    30_B      S    30_B     0.735     0    0.046   0.177     1.036   88.214   88.968
LGA    A    31_B      A    31_B     0.800     0    0.028   0.039     0.869   90.476   90.476
LGA    Y    32_B      Y    32_B     1.004     0    0.023   0.211     1.693   83.690   81.508
LGA    Y    33_B      Y    33_B     0.930     0    0.048   0.163     1.568   92.857   83.810
LGA    M    34_B      M    34_B     0.444     0    0.067   0.643     2.116   92.857   90.833
LGA    A    35_B      A    35_B     0.435     0    0.041   0.047     0.503  100.000   98.095
LGA    W    36_B      W    36_B     0.407     0    0.056   0.049     0.672  100.000   94.558
LGA    F    37_B      F    37_B     0.298     0    0.038   0.066     0.327  100.000  100.000
LGA    R    38_B      R    38_B     0.190     0    0.009   0.088     0.934  100.000   95.671
LGA    Q    39_B      Q    39_B     0.222     0    0.022   0.235     0.882  100.000   98.942
LGA    A    40_B      A    40_B     0.255     0    0.018   0.037     0.619   97.619   98.095
LGA    P    41_B      P    41_B     0.676     0    0.025   0.342     1.213   92.857   93.265
LGA    G    42_B      G    42_B     1.630     0    0.118   0.118     2.320   72.976   72.976
LGA    K    43_B      K    43_B     0.962     0    0.021   0.594     1.186   88.214   85.450
LGA    G    44_B      G    44_B     0.499     0    0.051   0.051     0.929   92.857   92.857
LGA    R    45_B      R    45_B     0.207     0    0.011   0.174     2.036  100.000   89.307
LGA    E    46_B      E    46_B     0.493     0    0.084   0.666     1.715  100.000   89.735
LGA    G    47_B      G    47_B     0.311     0    0.012   0.012     0.342  100.000  100.000
LGA    V    48_B      V    48_B     0.311     0    0.017   0.059     0.499  100.000  100.000
LGA    A    49_B      A    49_B     0.331     0    0.016   0.019     0.472  100.000  100.000
LGA    V    50_B      V    50_B     0.434     0    0.019   1.044     3.037  100.000   87.619
LGA    I    51_B      I    51_B     0.333     0    0.040   0.979     2.836   82.500   73.690
LGA    G    52_B      G    52_B     3.487     0    0.587   0.587     6.277   42.262   42.262
LGA    G    53_B      G    53_B     3.966     0    0.087   0.087     3.966   50.357   50.357
LGA    S    54_B      S    54_B     3.273     0    0.531   0.503     5.500   42.381   38.810
LGA    G    55_B      G    55_B     0.791     0    0.022   0.022     1.069   88.214   88.214
LGA    V    56_B      V    56_B     0.555     0    0.029   0.101     1.281   95.238   91.905
LGA    Y    57_B      Y    57_B     0.218     0    0.023   0.108     0.835  100.000   96.825
LGA    A    58_B      A    58_B     0.237     0    0.013   0.029     0.301  100.000  100.000
LGA    D    59_B      D    59_B     0.281     0    0.028   0.211     0.671  100.000   98.810
LGA    A    60_B      A    60_B     0.227     0    0.029   0.030     0.266  100.000  100.000
LGA    V    61_B      V    61_B     0.145     0    0.017   0.059     0.379  100.000  100.000
LGA    K    62_B      K    62_B     0.232     0    0.025   0.801     2.691  100.000   88.201
LGA    G    63_B      G    63_B     0.269     0    0.016   0.016     0.284  100.000  100.000
LGA    R    64_B      R    64_B     0.226     0    0.020   0.066     0.374  100.000  100.000
LGA    F    65_B      F    65_B     0.130     0    0.033   0.105     0.345  100.000  100.000
LGA    T    66_B      T    66_B     0.172     0    0.073   0.081     0.544   97.619   95.918
LGA    I    67_B      I    67_B     0.198     0    0.047   0.081     0.324  100.000  100.000
LGA    S    68_B      S    68_B     0.352     0    0.033   0.061     0.390  100.000  100.000
LGA    Q    69_B      Q    69_B     0.348     0    0.046   0.504     1.748  100.000   94.868
LGA    D    70_B      D    70_B     0.135     0    0.051   0.114     0.625  100.000   98.810
LGA    N    71_B      N    71_B     0.052     0    0.011   1.083     2.252  100.000   91.190
LGA    A    72_B      A    72_B     0.461     0    0.103   0.119     0.766  100.000   98.095
LGA    K    73_B      K    73_B     0.293     0    0.045   0.592     2.563  100.000   94.180
LGA    N    74_B      N    74_B     0.126     0    0.040   0.210     0.695  100.000   98.810
LGA    T    75_B      T    75_B     0.221     0    0.030   0.045     0.302  100.000  100.000
LGA    L    76_B      L    76_B     0.413     0    0.060   0.668     2.491   97.619   89.762
LGA    Y    77_B      Y    77_B     0.307     0    0.017   0.061     0.398  100.000  100.000
LGA    L    78_B      L    78_B     0.396     0    0.044   0.060     0.558  100.000   96.429
LGA    Q    79_B      Q    79_B     0.317     0    0.020   0.932     3.817  100.000   86.772
LGA    M    80_B      M    80_B     0.240     0    0.021   0.128     0.420  100.000  100.000
LGA    N    81_B      N    81_B     0.239     0    0.023   0.265     1.209  100.000   95.298
LGA    S    82_B      S    82_B     0.224     0    0.046   0.075     0.429  100.000  100.000
LGA    L    83_B      L    83_B     0.255     0    0.021   0.086     0.293  100.000  100.000
LGA    K    84_B      K    84_B     0.333     0    0.030   0.664     1.901  100.000   93.862
LGA    P    85_B      P    85_B     0.185     0    0.019   0.035     0.269  100.000  100.000
LGA    E    86_B      E    86_B     0.172     0    0.045   0.577     1.711  100.000   93.862
LGA    D    87_B      D    87_B     0.180     0    0.014   0.091     0.292  100.000  100.000
LGA    T    88_B      T    88_B     0.197     0    0.092   0.146     0.539   97.619   98.639
LGA    A    89_B      A    89_B     0.272     0    0.021   0.022     0.312  100.000  100.000
LGA    M    90_B      M    90_B     0.276     0    0.023   1.010     1.954  100.000   90.893
LGA    Y    91_B      Y    91_B     0.230     0    0.032   0.083     0.260  100.000  100.000
LGA    Y    92_B      Y    92_B     0.456     0    0.025   0.133     0.650  100.000   97.619
LGA    C    93_B      C    93_B     0.212     0    0.029   0.731     2.685  100.000   92.857
LGA    A    94_B      A    94_B     0.247     0    0.034   0.040     0.334  100.000  100.000
LGA    A    95_B      A    95_B     0.323     0    0.022   0.029     0.374  100.000  100.000
LGA    Y    96_B      Y    96_B     0.694     0    0.024   0.166     2.450   90.476   79.563
LGA    W    97_B      W    97_B     0.674     0    0.042   0.156     0.972   92.857   93.197
LGA    K    98_B      K    98_B     0.791     0    0.032   0.156     1.187   90.476   86.455
LGA    G    99_B      G    99_B     0.652     0    0.119   0.119     1.227   88.214   88.214
LGA    Y   100_B      Y   100_B     0.851     0    0.033   0.107     1.496   90.476   85.198
LGA    K   101_B      K   101_B     0.933     0    0.204   0.671     1.985   83.810   83.598
LGA    Y   102_B      Y   102_B     1.148     0    0.033   0.089     2.068   83.690   77.222
LGA    H   103_B      H   103_B     1.572     0    0.033   0.212     2.575   79.286   70.619
LGA    P   104_B      P   104_B     1.190     0    0.081   0.280     2.520   85.952   78.095
LGA    K   105_B      K   105_B     0.836     0    0.071   0.890     4.559   90.476   72.275
LGA    F   106_B      F   106_B     0.423     0    0.015   0.211     0.625   95.238   95.671
LGA    D   107_B      D   107_B     0.781     0    0.050   0.091     1.496   90.476   87.083
LGA    D   108_B      D   108_B     0.617     0    0.021   0.295     1.324   90.476   89.345
LGA    S   109_B      S   109_B     1.212     0    0.023   0.037     1.602   83.690   80.079
LGA    A   110_B      A   110_B     1.230     0    0.027   0.049     1.370   83.690   83.238
LGA    Y   111_B      Y   111_B     0.425     0    0.134   0.143     0.676   95.238   95.238
LGA    E   112_B      E   112_B     0.186     0    0.017   0.677     2.288  100.000   93.968
LGA    Y   113_B      Y   113_B     0.212     0    0.056   0.141     1.435  100.000   91.429
LGA    W   114_B      W   114_B     0.402     0    0.032   0.069     0.577   97.619   97.279
LGA    G   115_B      G   115_B     0.440     0    0.067   0.067     0.740   97.619   97.619
LGA    Q   116_B      Q   116_B     0.344     0    0.017   1.036     5.141  100.000   80.159
LGA    G   117_B      G   117_B     0.230     0    0.038   0.038     0.288  100.000  100.000
LGA    T   118_B      T   118_B     0.436     0    0.017   1.281     2.682  100.000   87.483
LGA    Q   119_B      Q   119_B     0.392     0    0.018   0.117     0.451  100.000  100.000
LGA    V   120_B      V   120_B     0.110     0    0.022   0.070     0.407  100.000  100.000
LGA    T   121_B      T   121_B     0.234     0    0.010   0.084     0.432  100.000  100.000
LGA    V   122_B      V   122_B     0.140     0    0.044   0.094     0.231  100.000  100.000
LGA    S   123_B      S   123_B     0.072     0    0.088   0.170     0.659   97.619   98.413
LGA    S   124_B      S   124_B     0.454     0    0.395   0.838     3.296   95.357   85.476

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     941    941  100.00               124
SUMMARY(RMSD_GDC):     0.808          0.875                  1.219           94.593   91.223

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    124    0.81    97.177    98.741    13.655

LGA_LOCAL      RMSD:   0.808  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.808  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   0.808  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.164935 * X  +  -0.058687 * Y  +  -0.984557 * Z  +   0.326086
  Y_new =   0.648558 * X  +  -0.758518 * Y  +  -0.063435 * Z  + -42.783714
  Z_new =  -0.743081 * X  +  -0.649005 * Y  +   0.163168 * Z  +  17.437471 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.819828  0.837663 -1.324488   [DEG:  104.2685   47.9945  -75.8876 ]
ZXZ: -1.506456  1.406895 -2.288718   [DEG:  -86.3135   80.6092 -131.1339 ]
 
# END of job
