
#######################################################
#                                                     #
#                        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       1.83     1.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       1_B - 124_B       1.83     1.83
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48       4_B - 51_B        0.99     1.88
  LCS_AVERAGE:     30.54

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     27  124  124      6   28   74   96  105  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     V     2_B     V     2_B     27  124  124     12   55   97  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Q     3_B     Q     3_B     27  124  124     35   85  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     L     4_B     L     4_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     V     5_B     V     5_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     E     6_B     E     6_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S     7_B     S     7_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G     8_B     G     8_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G     9_B     G     9_B     48  124  124     48   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    10_B     G    10_B     48  124  124     32   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S    11_B     S    11_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     48  124  124     39   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Q    13_B     Q    13_B     48  124  124     35   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    14_B     A    14_B     48  124  124     50   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    15_B     G    15_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    16_B     G    16_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S    17_B     S    17_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     L    18_B     L    18_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     L    20_B     L    20_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S    21_B     S    21_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     C    22_B     C    22_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    24_B     A    24_B     48  124  124     57   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S    25_B     S    25_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    26_B     G    26_B     48  124  124     26   84  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S    27_B     S    27_B     48  124  124      3   68   99  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     T    28_B     T    28_B     48  124  124      3    3   53  100  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     V    29_B     V    29_B     48  124  124      3    3   16   83  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S    30_B     S    30_B     48  124  124      3    3   26  102  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    31_B     A    31_B     48  124  124      3   11   91  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y    32_B     Y    32_B     48  124  124     16   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y    33_B     Y    33_B     48  124  124     56   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     M    34_B     M    34_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    35_B     A    35_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     W    36_B     W    36_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     F    37_B     F    37_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     R    38_B     R    38_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Q    39_B     Q    39_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     P    41_B     P    41_B     48  124  124     29   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    42_B     G    42_B     48  124  124     28   83  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     K    43_B     K    43_B     48  124  124     57   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    44_B     G    44_B     48  124  124     57   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     R    45_B     R    45_B     48  124  124     48   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     E    46_B     E    46_B     48  124  124     27   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    47_B     G    47_B     48  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     V    48_B     V    48_B     48  124  124     54   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    49_B     A    49_B     48  124  124     53   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     48  124  124     50   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     I    51_B     I    51_B     48  124  124     36   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    52_B     G    52_B     21  124  124      3   19   64   96  106  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    53_B     G    53_B      6  124  124      3    5    7   20   45   67  113  119  119  122  122  123  124  124  124  124  124  124  124  124 
LCS_GDT     S    54_B     S    54_B     44  124  124      3    6   17   56   98  109  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    55_B     G    55_B     44  124  124      7   49   99  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     V    56_B     V    56_B     44  124  124     21   86  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y    57_B     Y    57_B     44  124  124     21   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    58_B     A    58_B     44  124  124     21   85  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     D    59_B     D    59_B     44  124  124     24   85  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    60_B     A    60_B     44  124  124     24   85  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     V    61_B     V    61_B     44  124  124     49   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     K    62_B     K    62_B     44  124  124     53   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    63_B     G    63_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     R    64_B     R    64_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     F    65_B     F    65_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     T    66_B     T    66_B     44  124  124     57   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     I    67_B     I    67_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S    68_B     S    68_B     44  124  124     56   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Q    69_B     Q    69_B     44  124  124     15   65  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     D    70_B     D    70_B     44  124  124     18   85  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     N    71_B     N    71_B     44  124  124     17   86  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    72_B     A    72_B     44  124  124     56   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     N    74_B     N    74_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     T    75_B     T    75_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     L    76_B     L    76_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y    77_B     Y    77_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     L    78_B     L    78_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     M    80_B     M    80_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     N    81_B     N    81_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S    82_B     S    82_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     L    83_B     L    83_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     K    84_B     K    84_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     P    85_B     P    85_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     E    86_B     E    86_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     D    87_B     D    87_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     T    88_B     T    88_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    89_B     A    89_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     M    90_B     M    90_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y    91_B     Y    91_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y    92_B     Y    92_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     C    93_B     C    93_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     44  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A    95_B     A    95_B     44  124  124     42   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y    96_B     Y    96_B     44  124  124     28   85  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     W    97_B     W    97_B     44  124  124     28   85  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     K    98_B     K    98_B     44  124  124      0   21   54   80  102  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G    99_B     G    99_B      5  124  124      1    3   18   73   95  108  116  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y   100_B     Y   100_B      5  124  124      4    4    5   51   95  107  116  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     K   101_B     K   101_B      5  124  124      4    4   16   29   37   62   88  108  119  121  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y   102_B     Y   102_B      5  124  124      4    4    5   30   65   94  114  118  120  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     H   103_B     H   103_B      5  124  124      4    4   47   68   90  108  116  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     P   104_B     P   104_B      5  124  124      3    4   50   99  106  111  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     K   105_B     K   105_B      5  124  124      5   53   85  102  107  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     F   106_B     F   106_B      3  124  124      3   11   34   75  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     D   107_B     D   107_B      5  124  124      4    5   17   70   97  110  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     D   108_B     D   108_B      5  124  124      4    9   19   56  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S   109_B     S   109_B     16  124  124      4   29   80  103  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     A   110_B     A   110_B     16  124  124     11   15   46   99  106  111  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     16  124  124     18   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     16  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Y   113_B     Y   113_B     16  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     W   114_B     W   114_B     16  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G   115_B     G   115_B     16  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Q   116_B     Q   116_B     16  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     16  124  124     39   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     T   118_B     T   118_B     16  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     Q   119_B     Q   119_B     16  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     V   120_B     V   120_B     16  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     T   121_B     T   121_B     16  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     V   122_B     V   122_B     16  124  124     58   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S   123_B     S   123_B     16  124  124     48   87  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_GDT     S   124_B     S   124_B     16  124  124     44   86  100  104  108  112  118  120  121  122  123  123  124  124  124  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  76.85  (  30.54  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     58     87    100    104    108    112    118    120    121    122    123    123    124    124    124    124    124    124    124    124 
GDT PERCENT_AT  46.77  70.16  80.65  83.87  87.10  90.32  95.16  96.77  97.58  98.39  99.19  99.19 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.53   0.69   0.79   0.96   1.13   1.35   1.47   1.53   1.62   1.74   1.71   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83
GDT RMS_ALL_AT   1.91   1.91   1.92   1.90   1.88   1.88   1.87   1.85   1.84   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83   1.83

# Checking swapping
#   possible swapping detected:  Y    33_B      Y    33_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y   102_B      Y   102_B
#   possible swapping detected:  F   106_B      F   106_B
#   possible swapping detected:  D   107_B      D   107_B
#   possible swapping detected:  Y   111_B      Y   111_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     3.319     0    0.582   1.414    10.576   48.571   25.238
LGA    V     2_B      V     2_B     1.825     0    0.086   0.112     2.594   68.810   67.143
LGA    Q     3_B      Q     3_B     0.972     0    0.008   0.896     4.524   90.476   69.365
LGA    L     4_B      L     4_B     0.544     0    0.044   1.037     2.427   90.476   84.048
LGA    V     5_B      V     5_B     0.716     0    0.039   0.131     1.153   90.476   89.184
LGA    E     6_B      E     6_B     0.665     0    0.021   0.344     0.923   90.476   92.593
LGA    S     7_B      S     7_B     0.661     0    0.038   0.072     0.779   90.476   90.476
LGA    G     8_B      G     8_B     0.692     0    0.071   0.071     0.980   90.476   90.476
LGA    G     9_B      G     9_B     0.789     0    0.216   0.216     1.547   86.071   86.071
LGA    G    10_B      G    10_B     0.850     0    0.026   0.026     0.850   95.238   95.238
LGA    S    11_B      S    11_B     0.519     0    0.041   0.050     0.996   90.476   93.651
LGA    V    12_B      V    12_B     0.719     0    0.070   1.158     2.769   90.476   83.197
LGA    Q    13_B      Q    13_B     0.891     0    0.034   0.924     3.589   90.476   76.561
LGA    A    14_B      A    14_B     0.756     0    0.031   0.041     0.874   90.476   90.476
LGA    G    15_B      G    15_B     0.590     0    0.050   0.050     0.608   90.476   90.476
LGA    G    16_B      G    16_B     0.388     0    0.040   0.040     0.505   97.619   97.619
LGA    S    17_B      S    17_B     0.117     0    0.032   0.065     0.292  100.000  100.000
LGA    L    18_B      L    18_B     0.385     0    0.037   0.068     1.270  100.000   94.107
LGA    R    19_B      R    19_B     0.388     0    0.036   1.084     4.178  100.000   85.325
LGA    L    20_B      L    20_B     0.534     0    0.038   0.099     0.980   97.619   94.048
LGA    S    21_B      S    21_B     0.548     0    0.054   0.079     0.684   92.857   92.063
LGA    C    22_B      C    22_B     0.471     0    0.093   0.587     2.649   97.619   91.270
LGA    A    23_B      A    23_B     0.590     0    0.074   0.127     0.639   95.238   94.286
LGA    A    24_B      A    24_B     0.924     0    0.024   0.037     1.108   85.952   86.857
LGA    S    25_B      S    25_B     0.981     0    0.092   0.605     2.375   90.476   84.683
LGA    G    26_B      G    26_B     0.983     0    0.079   0.079     1.481   85.952   85.952
LGA    S    27_B      S    27_B     1.559     0    0.120   0.504     1.868   77.262   75.794
LGA    T    28_B      T    28_B     2.863     0    0.019   1.102     5.578   59.048   54.354
LGA    V    29_B      V    29_B     2.925     0    0.231   1.022     4.725   59.048   52.517
LGA    S    30_B      S    30_B     2.601     0    0.117   0.545     3.311   67.143   62.619
LGA    A    31_B      A    31_B     2.131     0    0.037   0.037     3.016   64.881   61.905
LGA    Y    32_B      Y    32_B     1.300     0    0.086   0.161     1.998   79.286   75.000
LGA    Y    33_B      Y    33_B     0.707     0    0.134   0.447     2.054   88.214   84.683
LGA    M    34_B      M    34_B     0.326     0    0.064   0.853     3.060   95.238   86.012
LGA    A    35_B      A    35_B     0.386     0    0.025   0.038     0.520  100.000   98.095
LGA    W    36_B      W    36_B     0.376     0    0.012   0.150     0.685  100.000   95.918
LGA    F    37_B      F    37_B     0.357     0    0.051   0.079     0.997  100.000   94.805
LGA    R    38_B      R    38_B     0.245     0    0.036   0.103     0.561  100.000   99.134
LGA    Q    39_B      Q    39_B     0.260     0    0.085   0.394     1.243  100.000   95.820
LGA    A    40_B      A    40_B     0.496     0    0.064   0.066     0.732   95.238   94.286
LGA    P    41_B      P    41_B     1.146     0    0.041   0.104     1.353   83.690   84.014
LGA    G    42_B      G    42_B     1.458     0    0.072   0.072     1.552   79.286   79.286
LGA    K    43_B      K    43_B     0.530     0    0.030   0.842     3.376   90.476   79.418
LGA    G    44_B      G    44_B     0.524     0    0.085   0.085     0.524   97.619   97.619
LGA    R    45_B      R    45_B     0.801     0    0.060   0.782     3.333   88.214   78.312
LGA    E    46_B      E    46_B     1.080     0    0.072   0.839     4.077   90.595   76.825
LGA    G    47_B      G    47_B     0.203     0    0.056   0.056     1.022   92.976   92.976
LGA    V    48_B      V    48_B     0.570     0    0.090   0.918     3.084   95.238   84.898
LGA    A    49_B      A    49_B     0.358     0    0.025   0.039     0.425  100.000  100.000
LGA    V    50_B      V    50_B     0.343     0    0.038   1.137     2.810   97.619   86.395
LGA    I    51_B      I    51_B     0.625     0    0.087   0.984     2.924   79.643   76.429
LGA    G    52_B      G    52_B     3.553     0    0.248   0.248     6.058   37.262   37.262
LGA    G    53_B      G    53_B     6.191     0    0.414   0.414     6.191   31.190   31.190
LGA    S    54_B      S    54_B     4.040     0    0.582   0.864     6.279   30.714   30.079
LGA    G    55_B      G    55_B     1.850     0    0.116   0.116     2.085   68.810   68.810
LGA    V    56_B      V    56_B     1.201     0    0.088   0.131     1.798   83.690   81.497
LGA    Y    57_B      Y    57_B     1.072     0    0.023   0.549     4.442   81.429   70.595
LGA    A    58_B      A    58_B     1.254     0    0.052   0.053     1.254   83.690   83.238
LGA    D    59_B      D    59_B     1.229     0    0.036   0.100     2.307   83.690   77.262
LGA    A    60_B      A    60_B     1.304     0    0.092   0.091     1.522   79.286   79.714
LGA    V    61_B      V    61_B     0.608     0    0.050   0.153     0.716   90.476   91.837
LGA    K    62_B      K    62_B     0.243     0    0.021   0.632     1.457   97.619   91.640
LGA    G    63_B      G    63_B     0.427     0    0.163   0.163     0.427  100.000  100.000
LGA    R    64_B      R    64_B     0.582     0    0.041   0.343     1.247   90.476   91.385
LGA    F    65_B      F    65_B     0.578     0    0.039   0.083     0.755   90.476   90.476
LGA    T    66_B      T    66_B     0.806     0    0.133   1.045     3.207   90.476   82.109
LGA    I    67_B      I    67_B     0.537     0    0.022   1.165     2.541   92.857   81.310
LGA    S    68_B      S    68_B     0.901     0    0.082   0.120     1.083   88.214   87.460
LGA    Q    69_B      Q    69_B     1.808     0    0.205   0.547     3.990   69.048   60.265
LGA    D    70_B      D    70_B     1.504     0    0.052   0.148     1.504   79.286   80.357
LGA    N    71_B      N    71_B     1.593     0    0.075   1.016     5.820   77.143   58.274
LGA    A    72_B      A    72_B     0.891     0    0.141   0.143     1.253   85.952   85.048
LGA    K    73_B      K    73_B     0.556     0    0.085   0.594     2.599   90.476   85.767
LGA    N    74_B      N    74_B     1.018     0    0.061   0.567     2.112   85.952   81.607
LGA    T    75_B      T    75_B     0.681     0    0.055   0.095     0.768   90.476   90.476
LGA    L    76_B      L    76_B     0.913     0    0.090   0.829     2.980   90.476   78.810
LGA    Y    77_B      Y    77_B     0.573     0    0.044   0.092     0.779   90.476   90.476
LGA    L    78_B      L    78_B     0.448     0    0.040   0.150     0.597   92.857   95.238
LGA    Q    79_B      Q    79_B     0.677     0    0.016   0.961     3.747   90.476   81.323
LGA    M    80_B      M    80_B     0.587     0    0.081   0.118     0.777   95.238   92.857
LGA    N    81_B      N    81_B     0.462     0    0.027   0.107     0.642   95.238   95.238
LGA    S    82_B      S    82_B     0.440     0    0.020   0.031     0.531   97.619   95.238
LGA    L    83_B      L    83_B     0.388     0    0.012   0.171     0.502  100.000   98.810
LGA    K    84_B      K    84_B     0.663     0    0.033   0.783     3.396   90.476   81.058
LGA    P    85_B      P    85_B     0.508     0    0.097   0.146     1.185   90.476   87.891
LGA    E    86_B      E    86_B     0.591     0    0.069   1.134     3.933   92.857   83.333
LGA    D    87_B      D    87_B     0.410     0    0.056   0.233     1.101  100.000   94.107
LGA    T    88_B      T    88_B     0.274     0    0.028   0.107     0.528  100.000   98.639
LGA    A    89_B      A    89_B     0.289     0    0.058   0.071     0.469  100.000  100.000
LGA    M    90_B      M    90_B     0.199     0    0.036   1.160     4.730  100.000   84.881
LGA    Y    91_B      Y    91_B     0.175     0    0.046   0.064     0.218  100.000  100.000
LGA    Y    92_B      Y    92_B     0.152     0    0.035   0.077     0.697  100.000   97.619
LGA    C    93_B      C    93_B     0.308     0    0.042   0.190     0.513  100.000   98.413
LGA    A    94_B      A    94_B     0.329     0    0.079   0.079     0.559   97.619   98.095
LGA    A    95_B      A    95_B     0.770     0    0.108   0.134     1.055   90.476   88.667
LGA    Y    96_B      Y    96_B     1.271     0    0.031   0.222     2.439   81.429   75.833
LGA    W    97_B      W    97_B     1.590     0    0.614   0.776     6.347   68.929   53.163
LGA    K    98_B      K    98_B     3.843     0    0.641   0.784    14.809   48.452   23.545
LGA    G    99_B      G    99_B     4.622     0    0.746   0.746     5.809   33.571   33.571
LGA    Y   100_B      Y   100_B     4.865     0    0.707   0.908     9.288   31.548   19.762
LGA    K   101_B      K   101_B     7.835     0    0.402   0.861    11.603   10.119    4.656
LGA    Y   102_B      Y   102_B     6.306     0    0.070   1.436     6.939   22.024   20.794
LGA    H   103_B      H   103_B     4.654     0    0.212   1.238    11.003   41.190   19.524
LGA    P   104_B      P   104_B     3.241     0    0.083   0.228     5.953   50.119   39.932
LGA    K   105_B      K   105_B     2.648     0    0.423   1.210     7.624   59.167   42.646
LGA    F   106_B      F   106_B     2.974     0    0.546   1.120     9.906   59.524   26.840
LGA    D   107_B      D   107_B     3.403     0    0.542   1.081     6.160   57.262   37.738
LGA    D   108_B      D   108_B     2.873     0    0.089   0.184     5.752   60.952   47.857
LGA    S   109_B      S   109_B     3.184     0    0.205   0.737     4.247   52.024   51.667
LGA    A   110_B      A   110_B     3.246     0    0.107   0.107     3.702   53.571   51.524
LGA    Y   111_B      Y   111_B     1.310     0    0.103   0.294     1.783   81.548   81.468
LGA    E   112_B      E   112_B     0.522     0    0.039   0.774     1.972   90.476   85.608
LGA    Y   113_B      Y   113_B     0.463     0    0.023   0.164     1.389   97.619   91.429
LGA    W   114_B      W   114_B     0.469     0    0.040   0.058     0.909   97.619   92.517
LGA    G   115_B      G   115_B     0.359     0    0.061   0.061     0.487  100.000  100.000
LGA    Q   116_B      Q   116_B     0.241     0    0.079   0.785     3.565   97.619   85.556
LGA    G   117_B      G   117_B     0.628     0    0.099   0.099     0.835   92.857   92.857
LGA    T   118_B      T   118_B     0.307     0    0.020   1.290     2.926  100.000   88.844
LGA    Q   119_B      Q   119_B     0.282     0    0.037   0.119     0.654  100.000   98.942
LGA    V   120_B      V   120_B     0.314     0    0.043   0.049     0.482  100.000  100.000
LGA    T   121_B      T   121_B     0.270     0    0.026   0.070     0.557   97.619   98.639
LGA    V   122_B      V   122_B     0.584     0    0.097   0.100     1.131   90.595   89.252
LGA    S   123_B      S   123_B     0.971     0    0.037   0.644     2.110   90.476   84.683
LGA    S   124_B      S   124_B     1.231     0    0.401   0.477     2.276   77.262   75.794

# 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):     1.829          1.780                  2.594           83.666   78.794

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  124    4.0    120    1.47    87.702    92.933     7.641

LGA_LOCAL      RMSD:   1.470  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.846  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:   1.829  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.573448 * X  +   0.375949 * Y  +   0.727887 * Z  + -46.823788
  Y_new =  -0.218770 * X  +  -0.785951 * Y  +   0.578292 * Z  + -26.747276
  Z_new =   0.789492 * X  +  -0.490860 * Y  +  -0.368455 * Z  +  39.685940 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.364457 -0.909980 -2.214701   [DEG:  -20.8819  -52.1380 -126.8930 ]
ZXZ:  2.242162  1.948143  2.127049   [DEG:  128.4664  111.6204  121.8710 ]
 
# END of job
