
#######################################################
#                                                     #
#                        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  118 (  885),  selected  115 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  115 , 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:   115      11_C - 125_C       1.36     1.36
  LCS_AVERAGE:     95.04

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      11_C - 125_C       1.36     1.36
  LCS_AVERAGE:     95.04

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84      12_C - 95_C        0.98     1.50
  LCS_AVERAGE:     57.45

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  115
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     75  115  115      0    4   57   84   95  112  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     T    12_B     T    12_C     84  115  115     25   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     D    13_B     D    13_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     K    14_B     K    14_C     84  115  115     25   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    15_B     L    15_C     84  115  115     25   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     W    16_B     W    16_C     84  115  115      7   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     Y    17_B     Y    17_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    18_B     I    18_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    19_B     L    19_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     Q    20_B     Q    20_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     E    21_B     E    21_C     84  115  115     12   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    22_B     L    22_C     84  115  115     25   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     T    23_B     T    23_C     84  115  115      5   29   86  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     S    24_B     S    24_C     84  115  115      5   30   61  101  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     N    25_B     N    25_C     84  115  115      5   22   61   96  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     R    26_B     R    26_C     84  115  115      6   16   86  104  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     G    27_B     G    27_C     84  115  115      5   39   86  104  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     D    28_B     D    28_C     84  115  115     28   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    29_B     I    29_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     Q    30_B     Q    30_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     G    31_B     G    31_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     C    32_B     C    32_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     T    33_B     T    33_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    34_B     I    34_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     V    35_B     V    35_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     T    36_B     T    36_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     T    37_B     T    37_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     Q    38_B     Q    38_C     84  115  115     13   61   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     G    39_B     G    39_C     84  115  115      4    8   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    40_B     L    40_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     P    41_B     P    41_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    42_B     I    42_C     84  115  115      5   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     T    43_B     T    43_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     S    44_B     S    44_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    45_B     L    45_C     84  115  115     33   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    46_B     L    46_C     84  115  115      6   31   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A    47_B     A    47_C     84  115  115      6   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     D    48_B     D    48_C     84  115  115      8   64   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     D    49_B     D    49_C     84  115  115      8   61   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A    50_B     A    50_C     84  115  115      8   64   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     N    51_B     N    51_C     84  115  115     14   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     V    52_B     V    52_C     84  115  115     14   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     S    53_B     S    53_C     84  115  115     14   61   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    54_B     L    54_C     84  115  115     14   59   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    55_B     I    55_C     84  115  115     21   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     S    56_B     S    56_C     84  115  115     13   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A    57_B     A    57_C     84  115  115     13   61   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     M    58_B     M    58_C     84  115  115     13   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     S    59_B     S    59_C     84  115  115     13   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A    60_B     A    60_C     84  115  115     13   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A    61_B     A    61_C     84  115  115     24   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    62_B     I    62_C     84  115  115     16   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    63_B     I    63_C     84  115  115     14   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     S    64_B     S    64_C     84  115  115     18   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     V    65_B     V    65_C     84  115  115     27   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A    66_B     A    66_C     84  115  115     16   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     E    67_B     E    67_C     84  115  115     17   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     S    68_B     S    68_C     84  115  115     17   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A    69_B     A    69_C     84  115  115     17   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     S    70_B     S    70_C     84  115  115     12   63   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     Q    71_B     Q    71_C     84  115  115     13   63   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     E    72_B     E    72_C     84  115  115     12   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    73_B     L    73_C     84  115  115     14   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     Q    74_B     Q    74_C     84  115  115     14   63   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     R    75_B     R    75_C     84  115  115     17   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     G    76_B     G    76_C     84  115  115     21   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     Y    77_B     Y    77_C     84  115  115     26   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    78_B     L    78_C     84  115  115     29   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     Q    79_B     Q    79_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     R    80_B     R    80_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    81_B     I    81_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    82_B     L    82_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    83_B     L    83_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     E    84_B     E    84_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     G    85_B     G    85_C     84  115  115     25   61   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     E    86_B     E    86_C     84  115  115     21   61   87  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L    87_B     L    87_C     84  115  115     25   61   87  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     G    88_B     G    88_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     T    89_B     T    89_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    90_B     I    90_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    91_B     I    91_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I    92_B     I    92_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     S    93_B     S    93_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     K    94_B     K    94_C     84  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A    95_B     A    95_C     84  115  115      3   51   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     G    96_B     G    96_C     71  115  115      3    4   74  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     P    97_B     P    97_C     33  115  115      9   23   49   77  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     H    98_B     H    98_C     33  115  115      3    3    6   81  109  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A    99_B     A    99_C     33  115  115     32   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I   100_B     I   100_C     33  115  115     25   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L   101_B     L   101_C     33  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     V   102_B     V   102_C     33  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     S   103_B     S   103_C     33  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L   104_B     L   104_C     33  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     V   105_B     V   105_C     33  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     D   106_B     D   106_C     33  115  115     24   61   87  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     K   107_B     K   107_C     33  115  115     24   61   86  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     D   108_B     D   108_C     33  115  115     25   61   86  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A   109_B     A   109_C     33  115  115     37   66   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     K   110_B     K   110_C     23  115  115      7   57   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L   111_B     L   111_C     23  115  115     10   52   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     G   112_B     G   112_C     23  115  115     10   34   78  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I   113_B     I   113_C     23  115  115     10   30   68  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I   114_B     I   114_C     23  115  115     10   33   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L   115_B     L   115_C     23  115  115     10   57   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     M   116_B     M   116_C     23  115  115     10   38   87  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     L   117_B     L   117_C     23  115  115     10   31   76  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I   118_B     I   118_C     23  115  115      9   30   87  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     D   119_B     D   119_C     23  115  115     17   58   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     K   120_B     K   120_C     23  115  115     10   31   77  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     A   121_B     A   121_C     22  115  115      6   15   37   75  111  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I   122_B     I   122_C     22  115  115      6   13   31   76  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     K   123_B     K   123_C     22  115  115      7   26   85  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     Q   124_B     Q   124_C     22  115  115      6   54   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_GDT     I   125_B     I   125_C     22  115  115      4   52   88  106  112  114  115  115  115  115  115  115  115  115  115  115  115  115  115  115 
LCS_AVERAGE  LCS_A:  82.51  (  57.45   95.04   95.04 )

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     37     66     88    106    112    114    115    115    115    115    115    115    115    115    115    115    115    115    115    115 
GDT PERCENT_AT  30.58  54.55  72.73  87.60  92.56  94.21  95.04  95.04  95.04  95.04  95.04  95.04  95.04  95.04  95.04  95.04  95.04  95.04  95.04  95.04
GDT RMS_LOCAL    0.33   0.66   0.90   1.15   1.27   1.32   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36
GDT RMS_ALL_AT   1.48   1.44   1.40   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36   1.36

# Checking swapping
#   possible swapping detected:  D    49_B      D    49_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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     3.876     0    0.182   0.820     6.687   45.476   32.429
LGA    T    12_B      T    12_C     1.125     0    0.043   0.118     1.338   81.429   81.429
LGA    D    13_B      D    13_C     0.930     0    0.054   1.149     4.387   85.952   72.083
LGA    K    14_B      K    14_C     1.297     0    0.031   1.482     7.075   81.429   60.212
LGA    L    15_B      L    15_C     1.143     0    0.066   0.132     1.468   81.429   81.429
LGA    W    16_B      W    16_C     1.074     0    0.000   1.250     8.134   85.952   49.388
LGA    Y    17_B      Y    17_C     1.044     0    0.011   1.253     8.338   88.214   55.317
LGA    I    18_B      I    18_C     0.587     0    0.076   0.112     0.720   90.476   95.238
LGA    L    19_B      L    19_C     0.659     0    0.030   0.200     1.160   90.476   88.214
LGA    Q    20_B      Q    20_C     0.534     0    0.093   1.559     5.423   92.857   70.370
LGA    E    21_B      E    21_C     1.151     0    0.027   1.104     6.047   85.952   68.571
LGA    L    22_B      L    22_C     0.719     0    0.023   1.392     4.634   95.238   81.131
LGA    T    23_B      T    23_C     1.581     0    0.053   1.040     4.936   75.238   68.367
LGA    S    24_B      S    24_C     2.669     0    0.045   0.658     5.351   59.286   52.222
LGA    N    25_B      N    25_C     2.477     0    0.087   0.196     3.069   62.857   59.107
LGA    R    26_B      R    26_C     2.028     0    0.204   1.387    10.826   68.810   41.385
LGA    G    27_B      G    27_C     2.245     0    0.070   0.070     2.253   66.786   66.786
LGA    D    28_B      D    28_C     1.335     0    0.132   1.119     3.632   77.262   71.429
LGA    I    29_B      I    29_C     0.807     0    0.017   1.055     3.275   90.476   76.190
LGA    Q    30_B      Q    30_C     0.919     0    0.022   0.212     2.076   90.476   82.646
LGA    G    31_B      G    31_C     0.993     0    0.023   0.023     1.024   88.214   88.214
LGA    C    32_B      C    32_C     0.361     0    0.035   0.819     2.787   95.238   89.683
LGA    T    33_B      T    33_C     0.439     0    0.032   0.132     0.598   97.619   95.918
LGA    I    34_B      I    34_C     0.483     0    0.033   0.661     1.579  100.000   93.036
LGA    V    35_B      V    35_C     0.168     0    0.005   0.067     0.258  100.000  100.000
LGA    T    36_B      T    36_C     0.207     0    0.057   0.092     0.322  100.000  100.000
LGA    T    37_B      T    37_C     0.296     0    0.089   1.206     2.858  100.000   88.639
LGA    Q    38_B      Q    38_C     1.056     0    0.308   1.380     5.592   83.690   68.783
LGA    G    39_B      G    39_C     1.327     0    0.250   0.250     1.352   85.952   85.952
LGA    L    40_B      L    40_C     0.489     0    0.063   0.090     1.730   97.619   90.714
LGA    P    41_B      P    41_C     0.124     0    0.041   0.094     0.751   95.238   97.279
LGA    I    42_B      I    42_C     0.971     0    0.061   0.077     1.872   90.476   82.738
LGA    T    43_B      T    43_C     0.445     0    0.049   1.046     2.597   97.619   87.483
LGA    S    44_B      S    44_C     0.374     0    0.027   0.568     1.834   97.619   93.889
LGA    L    45_B      L    45_C     0.586     0    0.356   0.735     3.289   88.452   81.071
LGA    L    46_B      L    46_C     1.212     0    0.096   0.111     1.795   79.286   80.417
LGA    A    47_B      A    47_C     0.950     0    0.059   0.081     1.019   88.214   88.667
LGA    D    48_B      D    48_C     1.415     0    0.052   0.148     1.691   77.143   76.071
LGA    D    49_B      D    49_C     1.603     0    0.188   0.773     4.351   71.071   63.750
LGA    A    50_B      A    50_C     1.380     0    0.101   0.130     1.409   81.429   81.429
LGA    N    51_B      N    51_C     1.193     0    0.038   0.150     1.302   81.429   82.560
LGA    V    52_B      V    52_C     1.117     0    0.046   0.209     1.330   83.690   84.014
LGA    S    53_B      S    53_C     1.610     0    0.070   0.075     1.859   75.000   74.286
LGA    L    54_B      L    54_C     1.586     0    0.000   0.064     2.345   77.143   71.964
LGA    I    55_B      I    55_C     0.605     0    0.020   0.671     2.891   95.238   88.690
LGA    S    56_B      S    56_C     1.070     0    0.006   0.056     1.448   83.690   82.937
LGA    A    57_B      A    57_C     1.507     0    0.078   0.086     1.933   79.286   78.000
LGA    M    58_B      M    58_C     1.088     0    0.000   1.063     4.216   88.214   69.524
LGA    S    59_B      S    59_C     0.869     0    0.074   0.666     3.566   88.214   79.603
LGA    A    60_B      A    60_C     0.944     0    0.006   0.014     1.253   90.476   88.667
LGA    A    61_B      A    61_C     0.836     0    0.031   0.038     1.120   90.476   88.667
LGA    I    62_B      I    62_C     0.810     0    0.025   0.714     2.631   90.476   82.917
LGA    I    63_B      I    63_C     0.916     0    0.013   0.141     1.524   90.476   84.881
LGA    S    64_B      S    64_C     0.609     0    0.137   0.679     2.571   92.857   86.508
LGA    V    65_B      V    65_C     0.602     0    0.004   0.052     1.306   92.857   87.959
LGA    A    66_B      A    66_C     0.963     0    0.130   0.141     1.301   88.214   86.857
LGA    E    67_B      E    67_C     0.925     0    0.026   0.425     1.999   85.952   83.492
LGA    S    68_B      S    68_C     0.876     0    0.029   0.694     2.580   88.214   83.413
LGA    A    69_B      A    69_C     0.962     0    0.028   0.035     1.103   85.952   86.857
LGA    S    70_B      S    70_C     1.484     0    0.023   0.586     3.176   77.143   71.905
LGA    Q    71_B      Q    71_C     1.557     0    0.050   1.058     3.277   75.000   70.370
LGA    E    72_B      E    72_C     1.156     0    0.026   0.877     3.372   81.429   74.392
LGA    L    73_B      L    73_C     1.373     0    0.093   0.273     1.902   77.143   79.345
LGA    Q    74_B      Q    74_C     1.732     0    0.104   0.329     4.097   75.000   62.910
LGA    R    75_B      R    75_C     1.252     0    0.103   1.517     7.630   83.690   55.498
LGA    G    76_B      G    76_C     0.950     0    0.055   0.055     1.247   85.952   85.952
LGA    Y    77_B      Y    77_C     0.736     0    0.024   0.134     1.610   90.476   86.032
LGA    L    78_B      L    78_C     0.763     0    0.064   0.104     1.298   90.476   87.083
LGA    Q    79_B      Q    79_C     0.284     0    0.113   0.909     3.187   97.619   84.339
LGA    R    80_B      R    80_C     0.746     0    0.070   1.172     2.800   92.857   86.883
LGA    I    81_B      I    81_C     0.438     0    0.033   0.116     0.651   92.857   96.429
LGA    L    82_B      L    82_C     0.527     0    0.066   0.856     3.122   90.476   79.048
LGA    L    83_B      L    83_C     0.701     0    0.006   1.104     4.645   90.476   75.714
LGA    E    84_B      E    84_C     0.920     0    0.035   0.677     2.681   85.952   76.190
LGA    G    85_B      G    85_C     1.322     0    0.010   0.010     1.436   81.429   81.429
LGA    E    86_B      E    86_C     1.654     0    0.097   0.705     2.874   72.857   69.312
LGA    L    87_B      L    87_C     1.642     0    0.125   0.121     3.026   77.143   68.214
LGA    G    88_B      G    88_C     0.980     0    0.035   0.035     1.173   88.214   88.214
LGA    T    89_B      T    89_C     0.657     0    0.010   0.087     1.186   90.476   89.184
LGA    I    90_B      I    90_C     0.481     0    0.020   0.083     0.636  100.000   97.619
LGA    I    91_B      I    91_C     0.657     0    0.014   0.108     0.951   90.476   91.667
LGA    I    92_B      I    92_C     0.472     0    0.044   0.097     0.686   95.238   95.238
LGA    S    93_B      S    93_C     0.598     0    0.058   0.750     2.530   95.238   88.095
LGA    K    94_B      K    94_C     0.675     0    0.132   0.648     2.792   86.071   77.989
LGA    A    95_B      A    95_C     1.283     0    0.355   0.422     3.479   73.690   73.524
LGA    G    96_B      G    96_C     1.869     0    0.631   0.631     3.531   67.619   67.619
LGA    P    97_B      P    97_C     2.908     0    0.042   0.313     4.816   65.000   53.265
LGA    H    98_B      H    98_C     2.920     0    0.034   1.142     6.024   59.524   44.429
LGA    A    99_B      A    99_C     0.510     0    0.057   0.071     1.066   88.214   90.571
LGA    I   100_B      I   100_C     0.832     0    0.058   1.469     3.192   90.476   77.024
LGA    L   101_B      L   101_C     0.383     0    0.057   0.958     2.070   95.238   87.619
LGA    V   102_B      V   102_C     0.550     0    0.038   0.117     0.984   97.619   94.558
LGA    S   103_B      S   103_C     0.581     0    0.026   0.685     2.411   90.476   86.190
LGA    L   104_B      L   104_C     0.638     0    0.018   0.101     0.734   90.476   94.048
LGA    V   105_B      V   105_C     0.939     0    0.024   0.157     1.696   83.810   85.374
LGA    D   106_B      D   106_C     1.545     0    0.032   0.073     1.766   75.000   73.929
LGA    K   107_B      K   107_C     1.722     0    0.050   1.101     8.966   72.857   49.630
LGA    D   108_B      D   108_C     1.732     0    0.113   0.203     3.144   79.405   68.333
LGA    A   109_B      A   109_C     0.563     0    0.112   0.150     1.325   85.952   86.857
LGA    K   110_B      K   110_C     1.413     0    0.056   1.133     3.566   81.548   71.746
LGA    L   111_B      L   111_C     1.669     0    0.090   0.125     1.768   72.857   72.857
LGA    G   112_B      G   112_C     2.247     0    0.053   0.053     2.290   64.762   64.762
LGA    I   113_B      I   113_C     2.455     0    0.086   1.089     4.342   64.762   66.786
LGA    I   114_B      I   114_C     1.743     0    0.022   0.642     1.985   72.857   75.000
LGA    L   115_B      L   115_C     1.267     0    0.013   0.023     1.452   81.429   82.560
LGA    M   116_B      M   116_C     1.868     0    0.015   1.249     5.302   72.857   59.583
LGA    L   117_B      L   117_C     2.236     0    0.060   0.134     3.039   64.762   60.060
LGA    I   118_B      I   118_C     1.748     0    0.037   0.931     2.822   72.857   76.488
LGA    D   119_B      D   119_C     1.025     0    0.086   0.141     1.892   81.429   79.286
LGA    K   120_B      K   120_C     2.271     0    0.062   0.844     8.830   61.190   39.683
LGA    A   121_B      A   121_C     3.106     0    0.049   0.056     3.429   51.786   51.429
LGA    I   122_B      I   122_C     2.732     0    0.150   0.180     3.097   60.952   60.060
LGA    K   123_B      K   123_C     1.908     0    0.129   0.943     6.801   70.833   57.407
LGA    Q   124_B      Q   124_C     1.238     0    0.180   0.711     2.492   81.429   79.577
LGA    I   125_B      I   125_C     1.374     0    0.214   0.253     1.609   77.143   80.417

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      115     460    460  100.00     864    864  100.00               121
SUMMARY(RMSD_GDC):     1.361          1.361                  2.209           79.102   73.464

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  118  121    4.0    115    1.36    83.058    89.445     7.872

LGA_LOCAL      RMSD:   1.361  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.361  Number of assigned atoms:  115 
Std_ASGN_ATOMS RMSD:   1.361  Standard rmsd on all 115 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.576649 * X  +  -0.777585 * Y  +   0.250675 * Z  +   5.571829
  Y_new =  -0.808719 * X  +  -0.499724 * Y  +   0.310239 * Z  + -70.661476
  Z_new =  -0.115969 * X  +  -0.381625 * Y  +  -0.917014 * Z  +   0.552959 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.951373  0.116231 -2.747233   [DEG:  -54.5096    6.6595 -157.4049 ]
ZXZ:  2.461991  2.731323 -2.846577   [DEG:  141.0617  156.4933 -163.0968 ]
 
# END of job
