
#######################################################
#                                                     #
#                        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       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116       2_B - 117_B       1.13     1.13
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65       2_B - 66_B        0.98     1.21
  LCS_AVERAGE:     50.05

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     65  116  116      4   41   95  109  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     3_C     K     3_B     65  116  116     43   91  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     4_C     S     4_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K     5_C     K     5_B     65  116  116     44   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     M     6_C     M     6_B     65  116  116     38   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L     7_C     L     7_B     65  116  116     33   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S     8_C     S     8_B     65  116  116     33   84  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N     9_C     N     9_B     65  116  116     33   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    10_C     I    10_B     65  116  116     45   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    11_C     V    11_B     65  116  116     52   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    12_C     I    12_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    13_C     Q    13_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    14_C     E    14_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    15_C     V    15_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K    16_C     K    16_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    17_C     F    17_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    18_C     A    18_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    19_C     I    19_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    20_C     E    20_B     65  116  116     46   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    21_C     D    21_B     65  116  116     38   90  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    22_C     Y    22_B     65  116  116     46   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    23_C     C    23_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    24_C     A    24_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    25_C     I    25_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    26_C     L    26_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    27_C     S    27_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    28_C     F    28_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     A    29_C     A    29_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    30_C     S    30_B     65  116  116     52   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    31_C     D    31_B     65  116  116     44   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    32_C     S    32_B     65  116  116     34   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    33_C     Y    33_B     65  116  116     24   90  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    34_C     E    34_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    35_C     V    35_B     65  116  116     52   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    36_C     P    36_B     65  116  116     53   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    37_C     E    37_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Q    38_C     Q    38_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    39_C     Y    39_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    40_C     F    40_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    41_C     I    41_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    42_C     I    42_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    43_C     T    43_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    44_C     R    44_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    45_C     S    45_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    46_C     T    46_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     T    47_C     T    47_B     65  116  116     46   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    48_C     E    48_B     65  116  116     46   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    49_C     R    49_B     65  116  116     46   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    50_C     S    50_B     65  116  116     46   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    51_C     G    51_B     65  116  116     46   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    52_C     G    52_B     65  116  116     38   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    53_C     I    53_B     65  116  116     28   91  106  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    54_C     P    54_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    55_C     E    55_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    56_C     G    56_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    57_C     D    57_B     65  116  116     54   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    58_C     I    58_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    59_C     Y    59_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    60_C     L    60_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    61_C     E    61_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    62_C     S    62_B     65  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    63_C     N    63_B     65  116  116     43   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    64_C     L    64_B     65  116  116     34   91  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    65_C     F    65_B     65  116  116      3    4   32   62  107  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    66_C     L    66_B     65  116  116      6   14   29   61   95  106  113  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    67_C     D    67_B     10  116  116      4   20   54   85  109  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F    68_C     F    68_B     50  116  116      4   14   74  100  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    69_C     N    69_B     50  116  116     18   61  100  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    70_C     P    70_B     50  116  116     45   90  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    71_C     Y    71_B     50  116  116     46   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    72_C     G    72_B     50  116  116     33   74  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    73_C     L    73_B     50  116  116     33   83  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    74_C     S    74_B     50  116  116     33   86  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     G    75_C     G    75_B     50  116  116     38   90  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    76_C     Y    76_B     50  116  116     47   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    77_C     L    77_B     50  116  116     54   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    78_C     L    78_B     50  116  116     44   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     S    79_C     S    79_B     50  116  116      6   11   98  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    80_C     E    80_B     50  116  116      2   62  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    81_C     P    81_B     50  116  116      4    4   41   79  108  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    82_C     N    82_B     50  116  116     43   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     C    83_C     C    83_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    84_C     V    84_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D    85_C     D    85_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    86_C     L    86_B     50  116  116     54   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    87_C     L    87_B     50  116  116     54   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    88_C     I    88_B     50  116  116     33   92  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E    89_C     E    89_B     50  116  116     33   90  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     P    90_C     P    90_B     50  116  116     33   92  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    91_C     N    91_B     50  116  116     54   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N    92_C     N    92_B     50  116  116     33   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     Y    93_C     Y    93_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V    94_C     V    94_B     50  116  116     52   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    95_C     R    95_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    96_C     L    96_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     R    97_C     R    97_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L    98_C     L    98_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I    99_C     I    99_B     50  116  116     54   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   100_C     E   100_B     50  116  116     29   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   101_C     K   101_B     50  116  116     44   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   102_C     I   102_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   103_C     D   103_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     I   104_C     I   104_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   105_C     L   105_B     50  116  116     53   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   106_C     E   106_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     V   107_C     V   107_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     E   108_C     E   108_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   109_C     N   109_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     H   110_C     H   110_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   111_C     L   111_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     K   112_C     K   112_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   113_C     F   113_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     L   114_C     L   114_B     50  116  116     55   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     F   115_C     F   115_B     50  116  116     52   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     D   116_C     D   116_B     50  116  116     32   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_GDT     N   117_C     N   117_B     50  116  116     44   93  107  110  111  113  115  116  116  116  116  116  116  116  116  116  116  116  116  116 
LCS_AVERAGE  LCS_A:  83.35  (  50.05  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     55     93    107    110    111    113    115    116    116    116    116    116    116    116    116    116    116    116    116    116 
GDT PERCENT_AT  47.41  80.17  92.24  94.83  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
GDT RMS_LOCAL    0.35   0.57   0.71   0.77   0.81   0.91   1.04   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13
GDT RMS_ALL_AT   1.16   1.17   1.15   1.14   1.14   1.14   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13   1.13

# 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:  E    61_C      E    61_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  F    68_C      F    68_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     2.470     0    0.082   0.102     3.349   66.905   61.701
LGA    K     3_C      K     3_B     1.367     0    0.100   0.927     3.584   81.548   73.598
LGA    S     4_C      S     4_B     0.596     0    0.013   0.116     1.070   88.214   87.460
LGA    K     5_C      K     5_B     1.145     0    0.015   1.043     3.739   85.952   72.910
LGA    M     6_C      M     6_B     1.087     0    0.016   0.888     2.442   81.429   79.345
LGA    L     7_C      L     7_B     1.288     0    0.063   0.108     1.783   79.286   80.357
LGA    S     8_C      S     8_B     1.433     0    0.053   0.187     2.024   81.429   77.222
LGA    N     9_C      N     9_B     1.182     0    0.034   0.419     2.096   81.429   79.345
LGA    I    10_C      I    10_B     0.835     0    0.036   0.688     1.936   90.476   86.071
LGA    V    11_C      V    11_B     0.673     0    0.045   0.049     0.885   90.476   90.476
LGA    I    12_C      I    12_B     0.251     0    0.006   0.095     0.710  100.000   97.619
LGA    Q    13_C      Q    13_B     0.321     0    0.047   0.923     2.691   97.619   92.116
LGA    E    14_C      E    14_B     0.427     0    0.029   0.618     2.263  100.000   87.884
LGA    V    15_C      V    15_B     0.439     0    0.040   0.094     0.781   95.238   97.279
LGA    K    16_C      K    16_B     0.356     0    0.057   0.544     2.364   97.619   93.968
LGA    F    17_C      F    17_B     0.192     0    0.039   0.120     0.453  100.000  100.000
LGA    A    18_C      A    18_B     0.150     0    0.027   0.042     0.282  100.000  100.000
LGA    I    19_C      I    19_B     0.122     0    0.016   0.044     0.304  100.000  100.000
LGA    E    20_C      E    20_B     0.605     0    0.032   0.140     0.934   92.857   91.534
LGA    D    21_C      D    21_B     1.122     0    0.041   0.323     2.201   83.690   78.333
LGA    Y    22_C      Y    22_B     0.819     0    0.018   0.108     1.559   90.476   83.730
LGA    C    23_C      C    23_B     0.420     0    0.013   0.037     0.527   97.619   96.825
LGA    A    24_C      A    24_B     0.162     0    0.026   0.030     0.392  100.000  100.000
LGA    I    25_C      I    25_B     0.275     0    0.008   0.042     0.774  100.000   97.619
LGA    L    26_C      L    26_B     0.107     0    0.016   0.127     0.564  100.000   98.810
LGA    S    27_C      S    27_B     0.190     0    0.025   0.095     0.497  100.000  100.000
LGA    F    28_C      F    28_B     0.136     0    0.109   0.113     0.543   97.619   99.134
LGA    A    29_C      A    29_B     0.514     0    0.020   0.033     0.600   95.238   94.286
LGA    S    30_C      S    30_B     0.679     0    0.017   0.031     0.729   90.476   90.476
LGA    D    31_C      D    31_B     0.822     0    0.014   0.141     1.079   90.476   87.083
LGA    S    32_C      S    32_B     1.112     0    0.050   0.633     3.531   83.690   76.587
LGA    Y    33_C      Y    33_B     1.472     0    0.044   0.359     3.381   83.690   68.016
LGA    E    34_C      E    34_B     0.768     0    0.058   0.695     3.166   90.476   78.413
LGA    V    35_C      V    35_B     0.876     0    0.141   0.140     1.713   92.857   86.735
LGA    P    36_C      P    36_B     0.740     0    0.030   0.302     0.855   90.476   91.837
LGA    E    37_C      E    37_B     0.607     0    0.029   0.735     3.217   90.476   74.868
LGA    Q    38_C      Q    38_B     0.344     0    0.023   0.193     1.164  100.000   94.762
LGA    Y    39_C      Y    39_B     0.234     0    0.007   0.101     0.875  100.000   96.825
LGA    F    40_C      F    40_B     0.271     0    0.037   0.122     1.230  100.000   90.649
LGA    I    41_C      I    41_B     0.313     0    0.036   0.088     0.505  100.000   98.810
LGA    I    42_C      I    42_B     0.135     0    0.043   0.081     0.312  100.000  100.000
LGA    T    43_C      T    43_B     0.268     0    0.012   0.182     0.789  100.000   97.279
LGA    R    44_C      R    44_B     0.147     0    0.024   0.153     0.922  100.000   96.537
LGA    S    45_C      S    45_B     0.353     0    0.033   0.084     0.435  100.000  100.000
LGA    T    46_C      T    46_B     0.436     0    0.037   0.051     0.689   95.238   97.279
LGA    T    47_C      T    47_B     0.954     0    0.018   0.043     1.187   88.214   85.306
LGA    E    48_C      E    48_B     0.913     0    0.040   0.232     1.950   90.476   86.508
LGA    R    49_C      R    49_B     0.844     0    0.029   0.305     2.252   90.476   80.866
LGA    S    50_C      S    50_B     0.712     0    0.092   0.558     2.448   90.476   86.190
LGA    G    51_C      G    51_B     0.680     0    0.019   0.019     0.759   90.476   90.476
LGA    G    52_C      G    52_B     0.992     0    0.030   0.030     1.214   85.952   85.952
LGA    I    53_C      I    53_B     1.311     0    0.109   1.052     3.083   83.690   73.452
LGA    P    54_C      P    54_B     0.371     0    0.043   0.247     1.096   97.619   93.333
LGA    E    55_C      E    55_B     0.589     0    0.082   0.540     1.207   97.619   89.630
LGA    G    56_C      G    56_B     0.217     0    0.033   0.033     0.252  100.000  100.000
LGA    D    57_C      D    57_B     0.301     0    0.051   0.217     0.945   97.619   94.048
LGA    I    58_C      I    58_B     0.353     0    0.068   1.002     2.324  100.000   87.619
LGA    Y    59_C      Y    59_B     0.364     0    0.028   1.273     8.019  100.000   63.333
LGA    L    60_C      L    60_B     0.229     0    0.082   0.090     0.490  100.000  100.000
LGA    E    61_C      E    61_B     0.234     0    0.034   0.331     2.233   97.619   86.878
LGA    S    62_C      S    62_B     0.519     0    0.043   0.070     1.135   90.595   90.556
LGA    N    63_C      N    63_B     1.034     0    0.084   0.125     1.408   83.690   87.083
LGA    L    64_C      L    64_B     1.378     0    0.664   1.061     3.289   73.214   74.524
LGA    F    65_C      F    65_B     3.193     0    0.012   1.174    12.144   44.643   18.831
LGA    L    66_C      L    66_B     4.898     0    0.659   1.417     9.934   38.452   22.738
LGA    D    67_C      D    67_B     3.900     0    0.534   1.315     8.120   37.262   30.000
LGA    F    68_C      F    68_B     3.320     0    0.136   1.226     3.695   53.571   61.558
LGA    N    69_C      N    69_B     2.156     0    0.047   0.077     2.661   69.048   70.000
LGA    P    70_C      P    70_B     0.801     0    0.020   0.236     1.556   92.976   86.871
LGA    Y    71_C      Y    71_B     0.844     0    0.032   0.158     2.342   85.952   78.690
LGA    G    72_C      G    72_B     1.620     0    0.048   0.048     1.668   75.000   75.000
LGA    L    73_C      L    73_B     1.338     0    0.091   1.344     2.607   81.429   77.560
LGA    S    74_C      S    74_B     1.252     0    0.043   0.051     1.281   81.429   81.429
LGA    G    75_C      G    75_B     0.943     0    0.053   0.053     1.032   88.214   88.214
LGA    Y    76_C      Y    76_B     0.613     0    0.021   0.151     0.962   90.476   90.476
LGA    L    77_C      L    77_B     0.458     0    0.033   0.107     1.237  100.000   95.298
LGA    L    78_C      L    78_B     0.637     0    0.159   0.954     2.886   88.214   82.976
LGA    S    79_C      S    79_B     1.927     0    0.658   0.747     4.482   64.048   69.921
LGA    E    80_C      E    80_B     1.649     0    0.050   1.052     7.921   56.786   41.164
LGA    P    81_C      P    81_B     3.580     0    0.093   0.468     6.378   54.048   41.565
LGA    N    82_C      N    82_B     0.871     0    0.111   0.646     2.555   90.833   86.548
LGA    C    83_C      C    83_B     0.516     0    0.037   0.106     1.308   95.238   92.143
LGA    V    84_C      V    84_B     0.353     0    0.021   0.057     0.395  100.000  100.000
LGA    D    85_C      D    85_B     0.321     0    0.017   0.095     0.763  100.000   98.810
LGA    L    86_C      L    86_B     0.493     0    0.018   0.045     0.692  100.000   96.429
LGA    L    87_C      L    87_B     0.449     0    0.013   0.093     0.933   92.857   95.238
LGA    I    88_C      I    88_B     1.056     0    0.049   0.267     2.072   88.214   82.738
LGA    E    89_C      E    89_B     1.063     0    0.040   0.190     1.558   79.286   80.476
LGA    P    90_C      P    90_B     0.930     0    0.034   0.042     1.256   88.214   86.599
LGA    N    91_C      N    91_B     0.403     0    0.060   0.800     3.059   92.857   82.381
LGA    N    92_C      N    92_B     0.757     0    0.007   0.213     1.487   90.476   85.952
LGA    Y    93_C      Y    93_B     0.518     0    0.040   0.077     0.923   90.476   92.857
LGA    V    94_C      V    94_B     0.662     0    0.015   0.092     1.257   95.238   91.905
LGA    R    95_C      R    95_B     0.508     0    0.038   0.151     1.375   92.857   90.519
LGA    L    96_C      L    96_B     0.492     0    0.045   0.188     0.706   95.238   94.048
LGA    R    97_C      R    97_B     0.529     0    0.018   1.244     6.412   95.238   68.961
LGA    L    98_C      L    98_B     0.399     0    0.032   0.068     0.455  100.000  100.000
LGA    I    99_C      I    99_B     0.530     0    0.024   0.383     1.439   90.476   91.726
LGA    E   100_C      E   100_B     0.932     0    0.043   0.601     1.727   88.214   83.492
LGA    K   101_C      K   101_B     0.921     0    0.117   0.837     4.003   83.810   72.275
LGA    I   102_C      I   102_B     0.614     0    0.023   0.104     0.664   90.476   94.048
LGA    D   103_C      D   103_B     0.635     0    0.025   0.106     0.657   95.238   92.857
LGA    I   104_C      I   104_B     0.366     0    0.026   0.659     1.514   97.619   89.583
LGA    L   105_C      L   105_B     0.836     0    0.040   0.114     1.851   90.476   83.810
LGA    E   106_C      E   106_B     0.681     0    0.063   0.514     2.879   95.238   87.884
LGA    V   107_C      V   107_B     0.183     0    0.016   0.037     0.352  100.000  100.000
LGA    E   108_C      E   108_B     0.270     0    0.041   0.180     1.106  100.000   95.820
LGA    N   109_C      N   109_B     0.488     0    0.026   0.102     0.856   97.619   94.048
LGA    H   110_C      H   110_B     0.507     0    0.033   1.149     2.484   92.857   85.381
LGA    L   111_C      L   111_B     0.487     0    0.057   0.054     0.554   95.238   97.619
LGA    K   112_C      K   112_B     0.458     0    0.111   0.598     1.937   95.238   90.794
LGA    F   113_C      F   113_B     0.457     0    0.023   0.079     0.676  100.000   96.537
LGA    L   114_C      L   114_B     0.349     0    0.038   0.060     0.581   97.619   97.619
LGA    F   115_C      F   115_B     0.631     0    0.126   0.118     1.082   92.857   88.874
LGA    D   116_C      D   116_B     1.140     0    0.121   0.819     4.876   83.690   64.940
LGA    N   117_C      N   117_B     1.166     0    0.618   1.178     5.321   60.357   51.905

# 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):     1.129          1.208                  1.833           89.451   85.143

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0    116    1.13    93.750    97.002     9.438

LGA_LOCAL      RMSD:   1.129  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.129  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   1.129  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.594809 * X  +   0.131938 * Y  +   0.792966 * Z  + -19.448488
  Y_new =  -0.803860 * X  +   0.093530 * Y  +   0.587419 * Z  + -15.733904
  Z_new =   0.003337 * X  +  -0.986836 * Y  +   0.161692 * Z  +  -4.891435 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.933764 -0.003337 -1.408391   [DEG:  -53.5007   -0.1912  -80.6948 ]
ZXZ:  2.208375  1.408392  3.138212   [DEG:  126.5306   80.6949  179.8063 ]
 
# END of job
