
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.65     0.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.65     0.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       0.65     0.65
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B    116  116  116     11   84  105  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     3_C     K     3_B    116  116  116     57  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     4_C     S     4_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     5_C     K     5_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     M     6_C     M     6_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L     7_C     L     7_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     8_C     S     8_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N     9_C     N     9_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    10_C     I    10_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    11_C     V    11_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    12_C     I    12_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    13_C     Q    13_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    14_C     E    14_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    15_C     V    15_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K    16_C     K    16_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    17_C     F    17_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    18_C     A    18_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    19_C     I    19_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    20_C     E    20_B    116  116  116     58  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    21_C     D    21_B    116  116  116     34  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    22_C     Y    22_B    116  116  116     73  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    23_C     C    23_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    24_C     A    24_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    25_C     I    25_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    26_C     L    26_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    27_C     S    27_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    28_C     F    28_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    29_C     A    29_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    30_C     S    30_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    31_C     D    31_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    32_C     S    32_B    116  116  116     67  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    33_C     Y    33_B    116  116  116     67  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    34_C     E    34_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    35_C     V    35_B    116  116  116     78  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    36_C     P    36_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    37_C     E    37_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    38_C     Q    38_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    39_C     Y    39_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    40_C     F    40_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    41_C     I    41_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    42_C     I    42_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    43_C     T    43_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    44_C     R    44_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    45_C     S    45_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    46_C     T    46_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    47_C     T    47_B    116  116  116     64  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    48_C     E    48_B    116  116  116     73  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    49_C     R    49_B    116  116  116     73  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    50_C     S    50_B    116  116  116     78  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    51_C     G    51_B    116  116  116     80  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    52_C     G    52_B    116  116  116     63  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    53_C     I    53_B    116  116  116     37  108  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    54_C     P    54_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    55_C     E    55_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    56_C     G    56_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    57_C     D    57_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    58_C     I    58_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    59_C     Y    59_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    60_C     L    60_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    61_C     E    61_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    62_C     S    62_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    63_C     N    63_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    64_C     L    64_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    65_C     F    65_B    116  116  116     72  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    66_C     L    66_B    116  116  116     15  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    67_C     D    67_B    116  116  116     49  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    68_C     F    68_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    69_C     N    69_B    116  116  116     80  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    70_C     P    70_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    71_C     Y    71_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    72_C     G    72_B    116  116  116     80  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    73_C     L    73_B    116  116  116     41  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    74_C     S    74_B    116  116  116     41  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    75_C     G    75_B    116  116  116     76  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    76_C     Y    76_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    77_C     L    77_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    78_C     L    78_B    116  116  116     80  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    79_C     S    79_B    116  116  116      5   29  112  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    80_C     E    80_B    116  116  116      2   84  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    81_C     P    81_B    116  116  116      3    5   66   98  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    82_C     N    82_B    116  116  116     76  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    83_C     C    83_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    84_C     V    84_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    85_C     D    85_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    86_C     L    86_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    87_C     L    87_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    88_C     I    88_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    89_C     E    89_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    90_C     P    90_B    116  116  116     80  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    91_C     N    91_B    116  116  116     80  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    92_C     N    92_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    93_C     Y    93_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    94_C     V    94_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    95_C     R    95_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    96_C     L    96_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    97_C     R    97_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    98_C     L    98_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    99_C     I    99_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   100_C     E   100_B    116  116  116     45  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   101_C     K   101_B    116  116  116     78  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   102_C     I   102_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   103_C     D   103_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   104_C     I   104_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   105_C     L   105_B    116  116  116     67  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   106_C     E   106_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V   107_C     V   107_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   108_C     E   108_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   109_C     N   109_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     H   110_C     H   110_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   111_C     L   111_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   112_C     K   112_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   113_C     F   113_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   114_C     L   114_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   115_C     F   115_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   116_C     D   116_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   117_C     N   117_B    116  116  116     81  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     81    111    113    115    116    116    116    116    116    116    116    116    116    116    116    116    116    116    116    116 
GDT PERCENT_AT  69.83  95.69  97.41  99.14 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.47   0.50   0.58   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65
GDT RMS_ALL_AT   0.66   0.66   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  Y    59_C      Y    59_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B     2.096     0    0.098   0.117     3.227   70.952   64.014
LGA    K     3_C      K     3_B     0.833     0    0.092   0.946     3.792   90.595   77.619
LGA    S     4_C      S     4_B     0.252     0    0.015   0.093     0.797   97.619   96.825
LGA    K     5_C      K     5_B     0.334     0    0.011   1.063     3.760  100.000   84.974
LGA    M     6_C      M     6_B     0.272     0    0.025   0.864     2.773  100.000   93.452
LGA    L     7_C      L     7_B     0.419     0    0.055   0.088     0.719   97.619   98.810
LGA    S     8_C      S     8_B     0.578     0    0.049   0.158     1.142   92.857   90.556
LGA    N     9_C      N     9_B     0.499     0    0.045   0.446     1.940   97.619   91.845
LGA    I    10_C      I    10_B     0.450     0    0.028   0.732     2.030  100.000   92.083
LGA    V    11_C      V    11_B     0.399     0    0.046   0.052     0.517   97.619   97.279
LGA    I    12_C      I    12_B     0.093     0    0.005   0.125     0.605  100.000   98.810
LGA    Q    13_C      Q    13_B     0.251     0    0.020   0.968     2.727  100.000   93.175
LGA    E    14_C      E    14_B     0.365     0    0.026   0.571     1.593  100.000   90.794
LGA    V    15_C      V    15_B     0.423     0    0.032   0.102     0.677   97.619   98.639
LGA    K    16_C      K    16_B     0.301     0    0.071   0.643     2.817   97.619   91.058
LGA    F    17_C      F    17_B     0.108     0    0.035   0.104     0.320  100.000  100.000
LGA    A    18_C      A    18_B     0.049     0    0.027   0.041     0.150  100.000  100.000
LGA    I    19_C      I    19_B     0.216     0    0.022   0.049     0.440  100.000  100.000
LGA    E    20_C      E    20_B     0.695     0    0.028   0.139     1.156   90.476   87.460
LGA    D    21_C      D    21_B     0.974     0    0.046   0.355     2.028   88.214   80.595
LGA    Y    22_C      Y    22_B     0.686     0    0.055   0.104     1.147   90.476   87.460
LGA    C    23_C      C    23_B     0.325     0    0.009   0.037     0.412  100.000  100.000
LGA    A    24_C      A    24_B     0.135     0    0.031   0.032     0.343  100.000  100.000
LGA    I    25_C      I    25_B     0.217     0    0.008   0.057     0.715  100.000   98.810
LGA    L    26_C      L    26_B     0.084     0    0.021   0.124     0.597  100.000   98.810
LGA    S    27_C      S    27_B     0.190     0    0.021   0.082     0.305  100.000  100.000
LGA    F    28_C      F    28_B     0.149     0    0.082   0.097     0.462  100.000  100.000
LGA    A    29_C      A    29_B     0.270     0    0.021   0.034     0.287  100.000  100.000
LGA    S    30_C      S    30_B     0.379     0    0.019   0.032     0.478  100.000  100.000
LGA    D    31_C      D    31_B     0.469     0    0.023   0.116     0.639  100.000   97.619
LGA    S    32_C      S    32_B     0.707     0    0.025   0.658     3.196   90.476   83.730
LGA    Y    33_C      Y    33_B     0.819     0    0.048   0.350     2.842   95.238   77.063
LGA    E    34_C      E    34_B     0.134     0    0.053   0.685     2.276  100.000   91.005
LGA    V    35_C      V    35_B     0.567     0    0.153   0.149     1.298   92.857   90.544
LGA    P    36_C      P    36_B     0.441     0    0.038   0.307     0.640  100.000   98.639
LGA    E    37_C      E    37_B     0.152     0    0.028   0.729     2.320  100.000   84.339
LGA    Q    38_C      Q    38_B     0.200     0    0.012   0.263     0.953  100.000   98.942
LGA    Y    39_C      Y    39_B     0.361     0    0.007   0.051     0.424  100.000  100.000
LGA    F    40_C      F    40_B     0.278     0    0.021   0.045     0.492  100.000  100.000
LGA    I    41_C      I    41_B     0.285     0    0.034   0.090     0.433  100.000  100.000
LGA    I    42_C      I    42_B     0.126     0    0.044   0.102     0.334  100.000  100.000
LGA    T    43_C      T    43_B     0.292     0    0.010   0.167     0.793  100.000   97.279
LGA    R    44_C      R    44_B     0.155     0    0.008   0.192     1.102  100.000   94.892
LGA    S    45_C      S    45_B     0.325     0    0.057   0.124     0.560  100.000   98.413
LGA    T    46_C      T    46_B     0.384     0    0.031   0.077     0.546   95.238   97.279
LGA    T    47_C      T    47_B     0.817     0    0.018   0.041     1.075   88.214   87.891
LGA    E    48_C      E    48_B     0.741     0    0.048   0.208     1.583   90.476   86.508
LGA    R    49_C      R    49_B     0.700     0    0.039   0.343     2.060   90.476   83.290
LGA    S    50_C      S    50_B     0.599     0    0.088   0.550     2.316   90.476   86.190
LGA    G    51_C      G    51_B     0.516     0    0.023   0.023     0.641   92.857   92.857
LGA    G    52_C      G    52_B     0.861     0    0.030   0.030     1.122   85.952   85.952
LGA    I    53_C      I    53_B     1.325     0    0.120   1.066     3.132   83.690   73.452
LGA    P    54_C      P    54_B     0.444     0    0.041   0.396     1.851   97.619   90.748
LGA    E    55_C      E    55_B     0.429     0    0.079   0.539     1.277  100.000   93.704
LGA    G    56_C      G    56_B     0.117     0    0.026   0.026     0.166  100.000  100.000
LGA    D    57_C      D    57_B     0.344     0    0.033   0.196     0.747   97.619   95.238
LGA    I    58_C      I    58_B     0.417     0    0.068   1.001     2.115  100.000   86.607
LGA    Y    59_C      Y    59_B     0.456     0    0.040   0.069     0.920   97.619   92.857
LGA    L    60_C      L    60_B     0.186     0    0.104   0.125     0.540   97.619   98.810
LGA    E    61_C      E    61_B     0.247     0    0.028   0.349     2.199   97.619   86.878
LGA    S    62_C      S    62_B     0.208     0    0.025   0.042     0.296  100.000  100.000
LGA    N    63_C      N    63_B     0.197     0    0.117   0.171     0.696   97.619   98.810
LGA    L    64_C      L    64_B     0.368     0    0.006   0.242     0.965  100.000   97.619
LGA    F    65_C      F    65_B     0.581     0    0.087   1.119     6.739   92.857   60.519
LGA    L    66_C      L    66_B     0.837     0    0.055   1.234     3.124   92.857   84.345
LGA    D    67_C      D    67_B     1.000     0    0.209   1.027     3.129   88.214   80.952
LGA    F    68_C      F    68_B     0.453     0    0.070   0.142     0.659   92.857   97.403
LGA    N    69_C      N    69_B     0.643     0    0.013   0.059     1.060   92.857   90.536
LGA    P    70_C      P    70_B     0.542     0    0.033   0.162     1.350   95.238   90.612
LGA    Y    71_C      Y    71_B     0.491     0    0.041   0.104     1.039   92.857   90.516
LGA    G    72_C      G    72_B     0.621     0    0.034   0.034     0.887   90.476   90.476
LGA    L    73_C      L    73_B     0.996     0    0.108   1.353     2.577   85.952   80.893
LGA    S    74_C      S    74_B     0.960     0    0.042   0.054     1.093   90.476   87.460
LGA    G    75_C      G    75_B     0.691     0    0.056   0.056     0.771   90.476   90.476
LGA    Y    76_C      Y    76_B     0.504     0    0.024   0.128     0.824   92.857   91.270
LGA    L    77_C      L    77_B     0.337     0    0.038   0.116     1.142  100.000   95.298
LGA    L    78_C      L    78_B     0.452     0    0.234   0.956     2.486   95.238   87.440
LGA    S    79_C      S    79_B     2.127     0    0.670   0.773     4.591   56.548   63.571
LGA    E    80_C      E    80_B     1.660     0    0.032   1.034     8.504   60.000   39.788
LGA    P    81_C      P    81_B     3.119     0    0.099   0.465     5.843   61.429   48.844
LGA    N    82_C      N    82_B     0.616     0    0.103   0.649     2.763   92.976   87.619
LGA    C    83_C      C    83_B     0.250     0    0.021   0.105     0.955  100.000   98.413
LGA    V    84_C      V    84_B     0.337     0    0.024   0.069     0.337  100.000  100.000
LGA    D    85_C      D    85_B     0.362     0    0.014   0.074     0.898  100.000   97.619
LGA    L    86_C      L    86_B     0.415     0    0.023   0.041     0.525  100.000   97.619
LGA    L    87_C      L    87_B     0.323     0    0.011   0.088     0.557   97.619   98.810
LGA    I    88_C      I    88_B     0.504     0    0.052   0.194     0.906   97.619   94.048
LGA    E    89_C      E    89_B     0.434     0    0.025   0.152     1.962   92.976   83.704
LGA    P    90_C      P    90_B     0.464     0    0.605   0.557     3.152   82.857   87.483
LGA    N    91_C      N    91_B     0.573     0    0.103   0.168     1.018   92.976   94.107
LGA    N    92_C      N    92_B     0.447     0    0.013   0.147     0.858  100.000   95.238
LGA    Y    93_C      Y    93_B     0.320     0    0.040   0.088     0.387  100.000  100.000
LGA    V    94_C      V    94_B     0.346     0    0.014   0.082     0.781  100.000   95.918
LGA    R    95_C      R    95_B     0.184     0    0.040   0.146     0.743  100.000   99.134
LGA    L    96_C      L    96_B     0.265     0    0.046   0.167     0.568   97.619   98.810
LGA    R    97_C      R    97_B     0.273     0    0.022   1.243     6.543  100.000   69.740
LGA    L    98_C      L    98_B     0.220     0    0.035   0.069     0.334  100.000  100.000
LGA    I    99_C      I    99_B     0.379     0    0.032   0.387     1.261  100.000   96.488
LGA    E   100_C      E   100_B     0.656     0    0.047   0.597     1.649   92.857   87.566
LGA    K   101_C      K   101_B     0.726     0    0.061   0.966     4.249   88.214   72.804
LGA    I   102_C      I   102_B     0.516     0    0.018   0.111     0.565   90.476   92.857
LGA    D   103_C      D   103_B     0.542     0    0.025   0.081     0.556   95.238   95.238
LGA    I   104_C      I   104_B     0.236     0    0.027   0.665     1.413  100.000   91.845
LGA    L   105_C      L   105_B     0.660     0    0.042   0.111     1.581   90.476   86.012
LGA    E   106_C      E   106_B     0.572     0    0.064   0.467     2.586   95.238   87.884
LGA    V   107_C      V   107_B     0.216     0    0.016   0.037     0.315  100.000  100.000
LGA    E   108_C      E   108_B     0.218     0    0.034   0.211     0.766  100.000   97.884
LGA    N   109_C      N   109_B     0.427     0    0.032   0.101     0.681  100.000   95.238
LGA    H   110_C      H   110_B     0.480     0    0.038   1.137     2.422   97.619   88.238
LGA    L   111_C      L   111_B     0.481     0    0.057   0.051     0.556   97.619   98.810
LGA    K   112_C      K   112_B     0.457     0    0.097   0.613     2.234   95.238   88.995
LGA    F   113_C      F   113_B     0.386     0    0.016   0.120     0.854  100.000   95.671
LGA    L   114_C      L   114_B     0.390     0    0.057   0.057     0.708   97.619   97.619
LGA    F   115_C      F   115_B     0.468     0    0.015   0.070     0.754   95.238   92.208
LGA    D   116_C      D   116_B     0.410     0    0.109   0.228     0.857   97.619   95.238
LGA    N   117_C      N   117_B     0.468     0    0.343   1.170     6.140   69.048   51.012

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     0.647          0.763                  1.241           94.994   90.866

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0    116    0.65    98.707    99.406    15.534

LGA_LOCAL      RMSD:   0.647  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.647  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   0.647  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.914139 * X  +   0.113528 * Y  +  -0.389181 * Z  + -19.586729
  Y_new =  -0.369210 * X  +  -0.629624 * Y  +   0.683562 * Z  + -16.380020
  Z_new =  -0.167434 * X  +   0.768560 * Y  +   0.617479 * Z  +  -4.022014 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.757739  0.168227  0.893971   [DEG: -158.0068    9.6387   51.2208 ]
ZXZ: -2.624021  0.905262 -0.214503   [DEG: -150.3453   51.8677  -12.2901 ]
 
# END of job
