
#######################################################
#                                                     #
#                        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  131 (  981),  selected  121 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  121 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.19     1.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.19     1.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      11_C - 72_C        1.00     1.28
  LCS_AVERAGE:     48.47

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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     H    11_B     H    11_C     62  121  121     34   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C     62  121  121     31   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C     62  121  121     18   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C     62  121  121     19   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C     62  121  121     19   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C     62  121  121     18   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C     62  121  121     18   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C     62  121  121     18   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C     62  121  121      9   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C     62  121  121     27   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C     62  121  121     37   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C     62  121  121      4   73  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C     62  121  121     24   70  107  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C     62  121  121     34   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C     62  121  121     34   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C     62  121  121     40   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C     62  121  121     32   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C     62  121  121     35   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C     62  121  121     41   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C     62  121  121      3   55  103  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C     62  121  121     10   57  103  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C     62  121  121      7   49   86  113  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C     62  121  121      3    4    6   57  116  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C     62  121  121      3   22   72  110  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C     62  121  121     37   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C     62  121  121     27   95  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C     62  121  121     30   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C     62  121  121     36   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C     62  121  121     34   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C     62  121  121     34   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C     62  121  121     39   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C     62  121  121     34   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C     62  121  121     40   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C     62  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C     62  121  121     35   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C     62  121  121     40   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C     62  121  121     31   96  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C     62  121  121     27   92  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C     62  121  121     26   81  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C     62  121  121     26   77  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C     62  121  121     27   81  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C     46  121  121     11   57  102  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C     46  121  121     14   50   93  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C     25  121  121      3    3    3   27   49  111  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C     56  121  121     10   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C     56  121  121     39   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C     56  121  121     41   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C     56  121  121     41   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C     56  121  121     40   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C     56  121  121     40   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C     56  121  121     40   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C     56  121  121     36   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C     56  121  121     26   83  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C     56  121  121     34   93  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C     56  121  121     33   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C     56  121  121     11   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C     56  121  121     41   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C     56  121  121      5   54  104  114  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C     56  121  121     34   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C     56  121  121     40   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C     56  121  121     23   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C     56  121  121     19   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C     56  121  121      7   66  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C     56  121  121     12   80  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C     56  121  121     23   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C     56  121  121     19   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C     56  121  121     21   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C     56  121  121     30   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C     56  121  121     30   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C     56  121  121     37   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C     56  121  121     43   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C     56  121  121     36   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C     56  121  121     33   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C     56  121  121     33   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C     56  121  121     35   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C     56  121  121     32   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C     56  121  121     30   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C     56  121  121     30   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C     56  121  121     30   97  110  115  117  119  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C     56  121  121      0    3   22   51   82  113  119  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  82.82  (  48.47  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     43     97    110    115    117    119    119    120    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  35.54  80.17  90.91  95.04  96.69  98.35  98.35  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.63   0.77   0.89   0.94   1.02   1.02   1.09   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19
GDT RMS_ALL_AT   1.32   1.27   1.22   1.20   1.20   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19   1.19

# Checking swapping
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  E    72_B      E    72_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  E    86_B      E    86_C
#   possible swapping detected:  D   106_B      D   106_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.764     0    0.172   1.496     6.449   92.976   66.143
LGA    T    12_B      T    12_C     0.678     0    0.058   1.181     2.555   90.476   83.197
LGA    D    13_B      D    13_C     0.886     0    0.033   0.939     3.955   90.476   75.357
LGA    K    14_B      K    14_C     0.870     0    0.029   1.276     4.391   88.214   74.603
LGA    L    15_B      L    15_C     0.802     0    0.020   1.022     3.746   90.476   80.179
LGA    W    16_B      W    16_C     0.847     0    0.058   1.102     5.239   90.476   70.374
LGA    Y    17_B      Y    17_C     1.023     0    0.048   0.515     2.023   83.690   77.262
LGA    I    18_B      I    18_C     1.058     0    0.019   0.682     3.806   85.952   78.929
LGA    L    19_B      L    19_C     0.557     0    0.033   0.100     0.950   90.476   90.476
LGA    Q    20_B      Q    20_C     0.925     0    0.048   1.276     4.714   90.476   65.820
LGA    E    21_B      E    21_C     0.977     0    0.032   0.799     2.355   90.476   81.693
LGA    L    22_B      L    22_C     0.435     0    0.025   0.251     0.750   97.619   96.429
LGA    T    23_B      T    23_C     0.173     0    0.076   1.280     3.078  100.000   86.735
LGA    S    24_B      S    24_C     0.165     0    0.069   0.645     2.406   97.619   92.540
LGA    N    25_B      N    25_C     0.463     0    0.103   0.330     1.863   95.238   87.321
LGA    R    26_B      R    26_C     1.610     0    0.110   0.409     4.290   77.143   62.208
LGA    G    27_B      G    27_C     2.016     0    0.671   0.671     3.993   63.452   63.452
LGA    D    28_B      D    28_C     1.079     0    0.065   1.008     4.669   81.548   66.548
LGA    I    29_B      I    29_C     0.570     0    0.103   1.092     2.909   90.476   80.119
LGA    Q    30_B      Q    30_C     1.196     0    0.631   0.782     3.066   79.881   75.344
LGA    G    31_B      G    31_C     0.827     0    0.129   0.129     0.978   92.857   92.857
LGA    C    32_B      C    32_C     0.680     0    0.081   0.290     1.535   88.214   86.032
LGA    T    33_B      T    33_C     0.570     0    0.032   0.225     1.482   90.476   89.184
LGA    I    34_B      I    34_C     0.555     0    0.021   0.651     2.541   90.476   86.310
LGA    V    35_B      V    35_C     0.501     0    0.024   0.738     2.349   90.476   86.871
LGA    T    36_B      T    36_C     0.799     0    0.028   1.129     3.613   92.857   80.340
LGA    T    37_B      T    37_C     1.075     0    0.004   0.065     1.686   83.690   81.497
LGA    Q    38_B      Q    38_C     0.798     0    0.028   1.088     2.943   90.476   86.825
LGA    G    39_B      G    39_C     0.251     0    0.075   0.075     0.847   97.619   97.619
LGA    L    40_B      L    40_C     0.469     0    0.043   1.399     4.385  100.000   80.238
LGA    P    41_B      P    41_C     0.277     0    0.058   0.239     1.139  100.000   97.347
LGA    I    42_B      I    42_C     0.495     0    0.089   0.912     3.003   95.238   87.857
LGA    T    43_B      T    43_C     0.803     0    0.057   1.037     3.147   90.476   82.109
LGA    S    44_B      S    44_C     0.641     0    0.021   0.575     1.989   90.476   87.540
LGA    L    45_B      L    45_C     0.927     0    0.209   0.865     3.524   90.476   79.048
LGA    L    46_B      L    46_C     1.879     0    0.052   0.306     4.252   66.905   59.583
LGA    A    47_B      A    47_C     2.103     0    0.133   0.200     3.350   61.071   60.286
LGA    D    48_B      D    48_C     2.752     0    0.425   0.826     5.357   52.262   47.381
LGA    D    49_B      D    49_C     3.395     0    0.488   1.304     6.031   63.333   44.405
LGA    A    50_B      A    50_C     2.488     0    0.080   0.111     4.563   62.976   56.667
LGA    N    51_B      N    51_C     0.432     0    0.613   1.001     4.048   78.214   67.143
LGA    V    52_B      V    52_C     0.995     0    0.095   0.178     1.878   88.214   84.082
LGA    S    53_B      S    53_C     0.690     0    0.033   0.086     1.065   92.857   90.556
LGA    L    54_B      L    54_C     0.470     0    0.021   1.409     4.099   95.238   77.321
LGA    I    55_B      I    55_C     0.643     0    0.015   1.014     3.114   92.857   82.262
LGA    S    56_B      S    56_C     0.667     0    0.037   0.058     0.959   90.476   90.476
LGA    A    57_B      A    57_C     0.401     0    0.015   0.026     0.478  100.000  100.000
LGA    M    58_B      M    58_C     0.537     0    0.012   1.112     4.011   92.857   76.726
LGA    S    59_B      S    59_C     0.775     0    0.025   0.082     1.131   90.476   88.968
LGA    A    60_B      A    60_C     0.430     0    0.028   0.033     0.562   97.619   98.095
LGA    A    61_B      A    61_C     0.254     0    0.015   0.031     0.414  100.000  100.000
LGA    I    62_B      I    62_C     0.587     0    0.020   0.249     1.599   92.857   88.333
LGA    I    63_B      I    63_C     0.587     0    0.040   0.561     1.262   95.238   90.595
LGA    S    64_B      S    64_C     0.167     0    0.075   0.154     0.751  100.000   98.413
LGA    V    65_B      V    65_C     0.172     0    0.038   1.311     2.843  100.000   87.755
LGA    A    66_B      A    66_C     0.488     0    0.024   0.029     0.630   97.619   96.190
LGA    E    67_B      E    67_C     0.199     0    0.064   0.805     3.825   97.619   87.566
LGA    S    68_B      S    68_C     0.651     0    0.029   0.742     2.778   92.857   86.508
LGA    A    69_B      A    69_C     0.970     0    0.031   0.035     1.151   85.952   86.857
LGA    S    70_B      S    70_C     1.356     0    0.683   0.743     3.998   69.762   69.603
LGA    Q    71_B      Q    71_C     1.413     0    0.087   0.780     3.570   77.143   67.249
LGA    E    72_B      E    72_C     1.362     0    0.067   0.800     2.938   77.143   78.836
LGA    L    73_B      L    73_C     2.189     0    0.251   0.986     4.458   59.524   59.702
LGA    Q    74_B      Q    74_C     2.548     0    0.639   0.645     6.318   44.048   40.053
LGA    R    75_B      R    75_C     5.303     0    0.705   1.379    15.479   39.167   14.935
LGA    G    76_B      G    76_C     0.978     0    0.456   0.456     2.261   77.381   77.381
LGA    Y    77_B      Y    77_C     0.983     0    0.046   0.320     1.543   85.952   83.770
LGA    L    78_B      L    78_C     1.184     0    0.038   1.281     3.129   81.429   76.488
LGA    Q    79_B      Q    79_C     0.847     0    0.036   1.285     3.590   90.476   79.841
LGA    R    80_B      R    80_C     0.630     0    0.040   1.154     3.305   92.857   73.247
LGA    I    81_B      I    81_C     0.466     0    0.019   0.953     2.683   97.619   83.512
LGA    L    82_B      L    82_C     0.340     0    0.063   0.990     3.909  100.000   87.202
LGA    L    83_B      L    83_C     0.642     0    0.064   0.973     3.383   90.476   82.202
LGA    E    84_B      E    84_C     0.736     0    0.095   0.681     3.424   90.476   72.487
LGA    G    85_B      G    85_C     0.909     0    0.038   0.038     0.984   90.476   90.476
LGA    E    86_B      E    86_C     1.267     0    0.114   0.848     2.016   81.429   80.635
LGA    L    87_B      L    87_C     1.227     0    0.049   0.099     2.469   83.690   75.238
LGA    G    88_B      G    88_C     0.738     0    0.045   0.045     0.978   90.476   90.476
LGA    T    89_B      T    89_C     0.543     0    0.042   0.094     1.158   95.238   91.905
LGA    I    90_B      I    90_C     0.390     0    0.054   0.231     0.717   97.619   96.429
LGA    I    91_B      I    91_C     0.361     0    0.049   0.157     0.671  100.000   98.810
LGA    I    92_B      I    92_C     0.534     0    0.098   1.371     2.742   92.857   81.310
LGA    S    93_B      S    93_C     0.569     0    0.070   0.203     1.313   92.857   90.556
LGA    K    94_B      K    94_C     0.568     0    0.035   0.906     1.919   95.238   87.672
LGA    A    95_B      A    95_C     0.329     0    0.036   0.040     0.464  100.000  100.000
LGA    G    96_B      G    96_C     0.271     0    0.052   0.052     0.557   97.619   97.619
LGA    P    97_B      P    97_C     0.937     0    0.062   0.383     1.853   83.810   84.150
LGA    H    98_B      H    98_C     1.721     0    0.044   1.147     4.591   72.976   62.762
LGA    A    99_B      A    99_C     1.254     0    0.043   0.053     1.262   85.952   85.048
LGA    I   100_B      I   100_C     0.628     0    0.014   0.368     1.478   90.476   87.083
LGA    L   101_B      L   101_C     0.530     0    0.040   0.073     0.696   95.238   92.857
LGA    V   102_B      V   102_C     0.438     0    0.013   0.074     0.510  100.000   98.639
LGA    S   103_B      S   103_C     0.188     0    0.047   0.685     2.253  100.000   94.127
LGA    L   104_B      L   104_C     0.312     0    0.063   0.187     0.479  100.000  100.000
LGA    V   105_B      V   105_C     0.920     0    0.050   1.160     2.994   88.214   78.367
LGA    D   106_B      D   106_C     1.270     0    0.059   1.056     2.457   79.286   78.333
LGA    K   107_B      K   107_C     0.993     0    0.136   0.708     2.536   81.667   76.085
LGA    D   108_B      D   108_C     2.264     0    0.121   0.177     4.236   70.833   57.143
LGA    A   109_B      A   109_C     1.363     0    0.073   0.096     1.643   77.143   76.286
LGA    K   110_B      K   110_C     0.675     0    0.057   1.706     9.189   90.476   63.651
LGA    L   111_B      L   111_C     0.992     0    0.080   1.321     3.495   90.476   80.952
LGA    G   112_B      G   112_C     1.017     0    0.684   0.684     4.343   68.452   68.452
LGA    I   113_B      I   113_C     1.472     0    0.128   0.682     2.427   81.429   76.131
LGA    I   114_B      I   114_C     1.430     0    0.035   1.026     3.548   81.429   70.595
LGA    L   115_B      L   115_C     0.776     0    0.040   0.938     2.709   90.476   84.048
LGA    M   116_B      M   116_C     0.857     0    0.024   1.111     4.263   90.476   77.619
LGA    L   117_B      L   117_C     0.799     0    0.021   0.775     2.678   90.476   85.179
LGA    I   118_B      I   118_C     0.642     0    0.051   1.027     2.948   92.857   82.083
LGA    D   119_B      D   119_C     0.644     0    0.054   0.069     1.286   92.857   88.274
LGA    K   120_B      K   120_C     0.633     0    0.043   1.417     8.069   92.857   63.704
LGA    A   121_B      A   121_C     0.261     0    0.044   0.045     0.600   97.619   98.095
LGA    I   122_B      I   122_C     0.423     0    0.023   1.537     4.029   97.619   80.000
LGA    K   123_B      K   123_C     0.590     0    0.033   0.861     4.800   90.476   78.413
LGA    Q   124_B      Q   124_C     0.602     0    0.020   0.615     2.548   90.476   87.831
LGA    I   125_B      I   125_C     0.535     0    0.081   0.106     0.882   95.238   92.857
LGA    A   126_B      A   126_C     0.440     0    0.036   0.048     0.650   97.619   96.190
LGA    E   127_B      E   127_C     0.522     0    0.013   0.405     2.497   92.857   87.672
LGA    L   128_B      L   128_C     0.608     0    0.044   0.714     3.170   90.476   79.048
LGA    M   129_B      M   129_C     0.672     0    0.163   0.206     1.117   88.214   87.083
LGA    D   130_B      D   130_C     0.756     0    0.624   1.000     3.990   88.214   80.119
LGA    A   131_B      A   131_C     4.435     0    0.634   0.636     6.582   30.000   27.429

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     907    907  100.00               121
SUMMARY(RMSD_GDC):     1.187          1.277                  2.173           87.406   80.467

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    120    1.09    93.595    96.952    10.061

LGA_LOCAL      RMSD:   1.093  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.190  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.187  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.323578 * X  +  -0.810270 * Y  +  -0.488631 * Z  +  81.442215
  Y_new =   0.870499 * X  +  -0.457324 * Y  +   0.181899 * Z  + -49.792248
  Z_new =  -0.370849 * X  +  -0.366494 * Y  +   0.853319 * Z  + -10.488238 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.926685  0.379924 -0.405670   [DEG:  110.3909   21.7680  -23.2432 ]
ZXZ: -1.927164  0.548479 -2.350288   [DEG: -110.4184   31.4255 -134.6616 ]
 
# END of job
