
#######################################################
#                                                     #
#                        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       1.73     1.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.73     1.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50       2_B - 51_B        0.98     1.80
  LCS_AVERAGE:     32.11

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     28  124  124      8   53   83  101  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     50  124  124      7   74  103  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     50  124  124     57   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     50  124  124     50   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     50  124  124     57   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     50  124  124     51   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     50  124  124     61   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     50  124  124     56   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     50  124  124     56   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     50  124  124     56   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     50  124  124     62   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     50  124  124      5   86  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     50  124  124      5    5   18  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B     50  124  124      5    5    6   22  108  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B     50  124  124      3    4   18  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     50  124  124      4    4   96  106  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     50  124  124     35   91  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     50  124  124     29   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     50  124  124     58   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     50  124  124     37   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     50  124  124     62   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     50  124  124     57   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     50  124  124     57   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     50  124  124     61   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     50  124  124     58   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     50  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     22  124  124      3   28   77   96  108  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B      4  124  124      1    7    8   33   51  104  112  116  118  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     45  124  124      3    6   10   61   85  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     45  124  124     13   95  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     45  124  124     53   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     45  124  124     38   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     45  124  124     45   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     45  124  124     45   91  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     45  124  124     53   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     45  124  124     59   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     45  124  124     56   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     45  124  124     53   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     45  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     45  124  124     29   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     45  124  124     29   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     45  124  124     18   94  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     45  124  124      7   26   55   82  109  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B      4  124  124      0    3   35   77  104  111  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      4  124  124      3    3    5   10   77  110  115  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      4  124  124      3    4    7   10   53   97  114  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      4  124  124      3    4   20   30   87  111  114  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      4  124  124      3   31   72  101  109  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B      4  124  124      3    4    5   61   84  106  110  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B      3  124  124      3    6   14   57   93  111  114  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B      8  124  124      3    4    9   11   51   68  112  118  120  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B     18  124  124      4   27   84  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     18  124  124     40   94  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     18  124  124     60   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     18  124  124     49   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     18  124  124     63   98  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     18  124  124     31   92  105  107  110  113  116  119  121  123  124  124  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  77.37  (  32.11  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     63     98    105    107    110    113    116    119    121    123    124    124    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  50.81  79.03  84.68  86.29  88.71  91.13  93.55  95.97  97.58  99.19 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.49   0.59   0.66   0.78   0.95   1.13   1.37   1.51   1.65   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73
GDT RMS_ALL_AT   1.80   1.82   1.82   1.81   1.79   1.79   1.77   1.74   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73

# Checking swapping
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  D   107_B      D   107_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     3.384     0    0.592   1.196    10.647   48.571   24.815
LGA    V     2_B      V     2_B     1.801     0    0.093   0.906     3.090   72.976   67.415
LGA    Q     3_B      Q     3_B     0.878     0    0.044   0.586     5.055   92.976   67.778
LGA    L     4_B      L     4_B     0.446     0    0.042   0.093     0.923   95.238   92.857
LGA    V     5_B      V     5_B     0.725     0    0.035   0.868     2.906   90.476   82.041
LGA    E     6_B      E     6_B     0.481     0    0.028   0.537     1.407   92.857   92.646
LGA    S     7_B      S     7_B     0.701     0    0.035   0.711     1.445   95.238   90.635
LGA    G     8_B      G     8_B     0.247     0    0.731   0.731     3.031   85.119   85.119
LGA    G     9_B      G     9_B     0.670     0    0.112   0.112     1.384   85.952   85.952
LGA    G    10_B      G    10_B     0.881     0    0.035   0.035     0.881   92.857   92.857
LGA    S    11_B      S    11_B     0.510     0    0.042   0.072     0.663   90.476   93.651
LGA    V    12_B      V    12_B     0.545     0    0.089   1.139     2.918   90.476   83.197
LGA    Q    13_B      Q    13_B     0.580     0    0.054   0.625     2.468   90.476   82.698
LGA    A    14_B      A    14_B     0.504     0    0.029   0.044     0.553   92.857   92.381
LGA    G    15_B      G    15_B     0.510     0    0.060   0.060     0.616   92.857   92.857
LGA    G    16_B      G    16_B     0.641     0    0.044   0.044     0.696   95.238   95.238
LGA    S    17_B      S    17_B     0.211     0    0.044   0.090     0.277  100.000  100.000
LGA    L    18_B      L    18_B     0.398     0    0.042   0.075     1.047  100.000   94.107
LGA    R    19_B      R    19_B     0.217     0    0.033   0.357     0.695  100.000   96.537
LGA    L    20_B      L    20_B     0.234     0    0.037   0.091     0.330  100.000  100.000
LGA    S    21_B      S    21_B     0.396     0    0.051   0.085     0.481  100.000  100.000
LGA    C    22_B      C    22_B     0.567     0    0.051   0.059     1.061   90.476   88.968
LGA    A    23_B      A    23_B     0.684     0    0.073   0.126     0.851   92.857   92.381
LGA    A    24_B      A    24_B     0.656     0    0.034   0.041     0.826   90.476   90.476
LGA    S    25_B      S    25_B     0.814     0    0.088   0.609     2.095   95.238   87.857
LGA    G    26_B      G    26_B     0.580     0    0.054   0.054     1.228   90.595   90.595
LGA    S    27_B      S    27_B     1.449     0    0.097   0.181     2.270   79.405   77.302
LGA    T    28_B      T    28_B     2.552     0    0.166   1.134     5.141   57.262   49.932
LGA    V    29_B      V    29_B     3.190     0    0.385   1.358     4.669   55.357   49.456
LGA    S    30_B      S    30_B     2.403     0    0.130   0.706     2.934   69.048   66.349
LGA    A    31_B      A    31_B     2.379     0    0.035   0.035     3.192   61.071   58.857
LGA    Y    32_B      Y    32_B     1.651     0    0.114   0.568     6.315   75.000   53.095
LGA    Y    33_B      Y    33_B     1.391     0    0.164   0.407     2.308   79.286   72.302
LGA    M    34_B      M    34_B     0.799     0    0.077   0.902     2.894   85.952   78.750
LGA    A    35_B      A    35_B     0.899     0    0.062   0.074     0.916   90.476   90.476
LGA    W    36_B      W    36_B     0.323     0    0.012   0.122     0.425  100.000  100.000
LGA    F    37_B      F    37_B     0.091     0    0.061   0.154     1.118  100.000   94.892
LGA    R    38_B      R    38_B     0.123     0    0.033   0.145     0.425  100.000  100.000
LGA    Q    39_B      Q    39_B     0.228     0    0.064   0.254     1.685  100.000   92.857
LGA    A    40_B      A    40_B     0.686     0    0.072   0.074     0.891   90.476   90.476
LGA    P    41_B      P    41_B     0.933     0    0.043   0.356     1.424   88.214   86.599
LGA    G    42_B      G    42_B     0.970     0    0.089   0.089     1.151   88.214   88.214
LGA    K    43_B      K    43_B     0.500     0    0.036   1.387     5.491   90.476   76.667
LGA    G    44_B      G    44_B     0.625     0    0.067   0.067     0.639   92.857   92.857
LGA    R    45_B      R    45_B     0.573     0    0.060   0.399     1.380   90.476   87.186
LGA    E    46_B      E    46_B     0.487     0    0.031   0.297     1.292   97.619   94.762
LGA    G    47_B      G    47_B     0.235     0    0.034   0.034     0.653   97.619   97.619
LGA    V    48_B      V    48_B     0.220     0    0.049   0.112     0.570  100.000   98.639
LGA    A    49_B      A    49_B     0.248     0    0.026   0.041     0.464  100.000  100.000
LGA    V    50_B      V    50_B     0.817     0    0.065   1.233     3.561   90.476   78.980
LGA    I    51_B      I    51_B     0.714     0    0.045   1.049     2.888   75.714   70.298
LGA    G    52_B      G    52_B     3.514     0    0.429   0.429     7.043   36.071   36.071
LGA    G    53_B      G    53_B     5.709     0    0.490   0.490     5.709   36.786   36.786
LGA    S    54_B      S    54_B     4.206     0    0.561   0.702     7.198   33.333   26.746
LGA    G    55_B      G    55_B     1.254     0    0.042   0.042     1.640   79.286   79.286
LGA    V    56_B      V    56_B     0.669     0    0.067   0.999     2.653   90.476   83.401
LGA    Y    57_B      Y    57_B     0.555     0    0.057   0.137     0.680   90.476   96.825
LGA    A    58_B      A    58_B     0.610     0    0.074   0.091     0.610   90.476   90.476
LGA    D    59_B      D    59_B     0.552     0    0.069   0.160     1.416   92.857   90.536
LGA    A    60_B      A    60_B     0.359     0    0.081   0.080     0.824   97.619   98.095
LGA    V    61_B      V    61_B     0.283     0    0.085   0.143     0.622  100.000   98.639
LGA    K    62_B      K    62_B     0.344     0    0.033   1.024     2.413  100.000   89.841
LGA    G    63_B      G    63_B     0.080     0    0.143   0.143     0.599   97.619   97.619
LGA    R    64_B      R    64_B     0.249     0    0.038   0.484     1.938  100.000   89.134
LGA    F    65_B      F    65_B     0.240     0    0.055   0.188     0.887  100.000   97.403
LGA    T    66_B      T    66_B     0.508     0    0.041   0.074     0.603   92.857   94.558
LGA    I    67_B      I    67_B     0.709     0    0.022   0.116     0.912   90.476   90.476
LGA    S    68_B      S    68_B     0.986     0    0.052   0.144     1.110   85.952   87.460
LGA    Q    69_B      Q    69_B     1.390     0    0.142   1.008     3.398   79.286   71.429
LGA    D    70_B      D    70_B     1.198     0    0.037   0.366     1.901   81.429   80.357
LGA    N    71_B      N    71_B     1.577     0    0.101   1.105     4.880   79.286   68.988
LGA    A    72_B      A    72_B     0.922     0    0.121   0.120     1.205   88.214   88.667
LGA    K    73_B      K    73_B     0.635     0    0.124   0.624     2.699   90.476   88.889
LGA    N    74_B      N    74_B     0.966     0    0.035   0.235     1.446   90.476   88.214
LGA    T    75_B      T    75_B     0.725     0    0.060   1.004     2.715   90.476   83.197
LGA    L    76_B      L    76_B     0.867     0    0.071   0.735     3.460   90.476   82.083
LGA    Y    77_B      Y    77_B     0.482     0    0.038   0.150     0.731   92.857   96.032
LGA    L    78_B      L    78_B     0.368     0    0.035   0.108     0.915  100.000   96.429
LGA    Q    79_B      Q    79_B     0.246     0    0.018   0.946     4.592  100.000   81.799
LGA    M    80_B      M    80_B     0.240     0    0.079   0.198     0.726  100.000   97.619
LGA    N    81_B      N    81_B     0.174     0    0.018   0.304     1.484  100.000   96.488
LGA    S    82_B      S    82_B     0.234     0    0.056   0.692     1.901  100.000   93.889
LGA    L    83_B      L    83_B     0.181     0    0.018   0.158     0.731  100.000   98.810
LGA    K    84_B      K    84_B     0.248     0    0.028   0.765     2.331  100.000   89.947
LGA    P    85_B      P    85_B     0.156     0    0.078   0.098     0.360  100.000  100.000
LGA    E    86_B      E    86_B     0.071     0    0.064   1.233     5.154  100.000   74.444
LGA    D    87_B      D    87_B     0.041     0    0.048   0.352     1.064  100.000   96.488
LGA    T    88_B      T    88_B     0.104     0    0.034   0.098     0.319  100.000  100.000
LGA    A    89_B      A    89_B     0.270     0    0.064   0.083     0.584  100.000   98.095
LGA    M    90_B      M    90_B     0.236     0    0.029   1.161     4.815  100.000   84.345
LGA    Y    91_B      Y    91_B     0.188     0    0.032   0.109     0.522  100.000   99.206
LGA    Y    92_B      Y    92_B     0.197     0    0.026   0.226     1.447  100.000   92.222
LGA    C    93_B      C    93_B     0.430     0    0.045   0.143     0.827  100.000   96.825
LGA    A    94_B      A    94_B     0.495     0    0.070   0.067     0.848   95.238   96.190
LGA    A    95_B      A    95_B     0.914     0    0.073   0.081     0.973   90.476   90.476
LGA    Y    96_B      Y    96_B     1.091     0    0.069   1.140     6.389   79.286   57.976
LGA    W    97_B      W    97_B     1.482     0    0.515   1.484    10.495   71.429   39.524
LGA    K    98_B      K    98_B     3.809     0    0.665   1.031    14.964   46.905   22.857
LGA    G    99_B      G    99_B     4.550     0    0.725   0.725     6.115   29.524   29.524
LGA    Y   100_B      Y   100_B     5.201     0    0.621   1.361    13.921   31.548   13.770
LGA    K   101_B      K   101_B     6.624     0    0.366   0.786    11.782   17.262    8.783
LGA    Y   102_B      Y   102_B     5.626     0    0.048   1.287     6.137   25.357   33.770
LGA    H   103_B      H   103_B     3.417     0    0.473   0.783     4.456   46.786   61.048
LGA    P   104_B      P   104_B     4.802     0    0.622   0.778     8.604   37.262   25.034
LGA    K   105_B      K   105_B     4.727     0    0.590   0.996     6.825   28.333   31.429
LGA    F   106_B      F   106_B     4.516     0    0.657   0.792    12.105   49.048   19.740
LGA    D   107_B      D   107_B     2.496     0    0.195   0.934     3.662   67.262   61.548
LGA    D   108_B      D   108_B     0.616     0    0.056   0.283     2.061   88.214   83.869
LGA    S   109_B      S   109_B     1.366     0    0.055   0.640     2.747   79.286   74.524
LGA    A   110_B      A   110_B     0.693     0    0.063   0.064     0.920   90.476   90.476
LGA    Y   111_B      Y   111_B     0.347     0    0.074   0.189     0.855   97.619   96.032
LGA    E   112_B      E   112_B     0.330     0    0.035   0.796     2.020   97.619   88.889
LGA    Y   113_B      Y   113_B     0.507     0    0.032   0.168     1.805   97.619   84.722
LGA    W   114_B      W   114_B     0.285     0    0.048   0.176     1.127  100.000   94.626
LGA    G   115_B      G   115_B     0.188     0    0.065   0.065     0.465  100.000  100.000
LGA    Q   116_B      Q   116_B     0.233     0    0.089   1.062     3.621   95.238   80.741
LGA    G   117_B      G   117_B     0.840     0    0.121   0.121     1.127   88.214   88.214
LGA    T   118_B      T   118_B     0.398     0    0.017   0.945     2.152  100.000   89.728
LGA    Q   119_B      Q   119_B     0.425     0    0.038   0.203     0.809  100.000   94.709
LGA    V   120_B      V   120_B     0.391     0    0.042   0.051     0.606  100.000   98.639
LGA    T   121_B      T   121_B     0.275     0    0.021   0.056     0.428  100.000  100.000
LGA    V   122_B      V   122_B     0.257     0    0.097   0.099     0.689   97.619   95.918
LGA    S   123_B      S   123_B     0.417     0    0.062   0.671     2.521   95.238   89.683
LGA    S   124_B      S   124_B     1.236     0    0.293   0.600     3.824   81.548   75.159

# 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):     1.727          1.713                  2.645           85.814   81.089

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    119    1.37    90.323    94.220     8.088

LGA_LOCAL      RMSD:   1.371  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.738  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.727  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.010597 * X  +   0.061987 * Y  +   0.998021 * Z  + -12.784365
  Y_new =   0.855387 * X  +   0.516353 * Y  +  -0.041153 * Z  + -51.264969
  Z_new =  -0.517882 * X  +   0.854130 * Y  +  -0.047551 * Z  +  -4.957091 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.558409  0.544373  1.626411   [DEG:   89.2903   31.1903   93.1865 ]
ZXZ:  1.529585  1.618366 -0.545059   [DEG:   87.6388   92.7255  -31.2296 ]
 
# END of job
