Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kw6_B.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.B N LEU 164.B O no hydrogen 3.058 N/A GLU 3.B N GLU 65.B O no hydrogen 2.901 N/A ARG 4.B NE ASP 140.B O no hydrogen 2.889 N/A ARG 4.B NH1 ASP 67.B OD2 no hydrogen 3.454 N/A ARG 4.B NH2 GLU 65.B OE1 no hydrogen 2.851 N/A ARG 4.B NH2 ASP 67.B OD2 no hydrogen 2.827 N/A GLY 6.B N GLY 63.B O no hydrogen 2.817 N/A TYR 7.B N GLY 63.B O no hydrogen 3.456 N/A TYR 7.B OH GLU 114.B OE1 no hydrogen 2.776 N/A LEU 8.B N ARG 48.B O no hydrogen 3.039 N/A GLY 9.B N TYR 61.B O no hydrogen 2.961 N/A PHE 10.B N ALA 50.B O no hydrogen 2.809 N/A ALA 11.B N ASP 58.B O no hydrogen 2.987 N/A VAL 12.B N GLN 52.B O no hydrogen 2.891 N/A LYS 13.B N ASP 57.B OD1 no hydrogen 3.000 N/A ALA 17.B N ASP 14.B OD2 no hydrogen 2.995 N/A TRP 18.B N ASP 14.B O no hydrogen 3.065 N/A TRP 18.B NE1 SER 254.B OG no hydrogen 2.912 N/A ASP 19.B N VAL 15.B O no hydrogen 2.870 N/A HIS 20.B N PRO 16.B O no hydrogen 2.993 N/A PHE 21.B N ALA 17.B O no hydrogen 2.909 N/A LEU 22.B N TRP 18.B O no hydrogen 2.895 N/A THR 23.B N ASP 19.B O no hydrogen 3.086 N/A THR 23.B OG1 ASP 19.B O no hydrogen 2.685 N/A THR 23.B OG1 HIS 20.B O no hydrogen 3.486 N/A LYS 24.B N HIS 20.B O no hydrogen 2.873 N/A SER 25.B N HIS 20.B O no hydrogen 3.401 N/A VAL 26.B N PHE 21.B O no hydrogen 2.882 N/A LEU 28.B N LEU 22.B O no hydrogen 2.863 N/A MET 29.B N ARG 41.B O no hydrogen 2.966 N/A ALA 31.B N LEU 39.B O no hydrogen 2.842 N/A ALA 34.B N ALA 37.B O no hydrogen 2.867 N/A ALA 37.B N ALA 34.B O no hydrogen 2.982 N/A ALA 38.B N VAL 51.B O no hydrogen 2.837 N/A LEU 39.B N GLY 32.B O no hydrogen 2.935 N/A TYR 40.B N ILE 49.B O no hydrogen 2.889 N/A TYR 40.B OH ASP 19.B OD1 no hydrogen 2.658 N/A ARG 41.B N MET 29.B O no hydrogen 2.799 N/A ARG 41.B NE ASP 43.B O no hydrogen 3.215 N/A ARG 41.B NE ARG 45.B O no hydrogen 3.020 N/A ARG 41.B NH1 ASP 43.B O no hydrogen 2.922 N/A ARG 41.B NH1 GLU 125.B O no hydrogen 2.903 N/A ARG 41.B NH2 GLU 125.B O no hydrogen 2.764 N/A GLN 44.B N GLN 44.B OE1 no hydrogen 2.788 N/A GLN 44.B NE2 GLU 121.B OE1 no hydrogen 3.053 N/A ARG 45.B N ASP 43.B OD2 no hydrogen 3.045 N/A ARG 45.B NE GLU 121.B OE1 no hydrogen 2.910 N/A ARG 45.B NH1 GLU 65.B OE1 no hydrogen 3.398 N/A ARG 45.B NH1 GLU 65.B OE2 no hydrogen 3.545 N/A ARG 45.B NH2 GLU 65.B OE2 no hydrogen 2.810 N/A ALA 46.B N ALA 120.B O no hydrogen 2.974 N/A TRP 47.B NE1 ARG 97.B O no hydrogen 2.852 N/A ARG 48.B N TYR 40.B O no hydrogen 2.812 N/A ARG 48.B NE ASP 43.B OD1 no hydrogen 3.334 N/A ARG 48.B NE ASP 43.B OD2 no hydrogen 3.110 N/A ARG 48.B NH1 ASP 43.B OD1 no hydrogen 2.818 N/A ARG 48.B NH2 GLY 6.B O no hydrogen 2.894 N/A ILE 49.B N TYR 40.B O no hydrogen 3.137 N/A ALA 50.B N LEU 8.B O no hydrogen 2.897 N/A VAL 51.B N ALA 38.B O no hydrogen 2.851 N/A GLN 52.B N PHE 10.B O no hydrogen 2.884 N/A GLY 54.B N VAL 12.B O no hydrogen 2.917 N/A ASP 58.B N ALA 11.B O no hydrogen 3.033 N/A LEU 59.B N ASP 58.B OD2 no hydrogen 2.775 N/A ALA 60.B N GLY 9.B O no hydrogen 2.688 N/A TYR 61.B N GLY 9.B O no hydrogen 3.245 N/A ALA 62.B N PRO 112.B O no hydrogen 3.162 N/A GLY 63.B N TYR 7.B O no hydrogen 2.817 N/A LEU 64.B N GLU 114.B O no hydrogen 2.695 N/A GLU 65.B N ARG 4.B O no hydrogen 2.829 N/A VAL 66.B N TYR 116.B O no hydrogen 2.914 N/A ALA 71.B N ASP 68.B OD1 no hydrogen 2.821 N/A LEU 72.B N ASP 68.B O no hydrogen 3.182 N/A GLU 73.B N ALA 69.B O no hydrogen 3.083 N/A ARG 74.B N ALA 70.B O no hydrogen 2.964 N/A MET 75.B N ALA 71.B O no hydrogen 2.983 N/A ALA 76.B N LEU 72.B O no hydrogen 2.926 N/A ASP 77.B N GLU 73.B O no hydrogen 2.925 N/A LYS 78.B N ARG 74.B O no hydrogen 2.948 N/A LEU 79.B N MET 75.B O no hydrogen 2.916 N/A ARG 80.B N ALA 76.B O no hydrogen 2.918 N/A GLN 81.B N ASP 77.B O no hydrogen 2.881 N/A ALA 82.B N LYS 78.B O no hydrogen 2.975 N/A GLY 83.B N ARG 80.B O no hydrogen 3.076 N/A VAL 84.B N LEU 79.B O no hydrogen 2.947 N/A THR 87.B N CYS 104.B O no hydrogen 2.922 N/A ARG 88.B NH1 GLU 73.B OE1 no hydrogen 3.418 N/A ARG 88.B NH1 GLU 73.B OE2 no hydrogen 2.539 N/A ARG 88.B NH2 GLU 73.B OE1 no hydrogen 2.927 N/A GLY 89.B N LEU 102.B O no hydrogen 2.850 N/A LEU 93.B N ASP 90.B OD1 no hydrogen 2.993 N/A MET 94.B N ASP 90.B O no hydrogen 2.928 N/A GLN 95.B N GLU 91.B O no hydrogen 2.884 N/A GLN 96.B N ALA 92.B O no hydrogen 2.908 N/A GLN 96.B NE2 ALA 34.B O no hydrogen 2.804 N/A ARG 97.B N LEU 93.B O no hydrogen 2.856 N/A ARG 97.B NE GLU 114.B OE1 no hydrogen 2.717 N/A ARG 97.B NE GLU 114.B OE2 no hydrogen 3.345 N/A ARG 97.B NH1 GLU 114.B OE2 no hydrogen 2.700 N/A LYS 98.B N GLN 95.B O no hydrogen 3.366 N/A VAL 99.B N MET 94.B O no hydrogen 3.132 N/A MET 100.B N TYR 117.B O no hydrogen 3.031 N/A LEU 103.B N ILE 115.B O no hydrogen 2.746 N/A CYS 104.B N THR 87.B O no hydrogen 2.755 N/A LEU 105.B N LEU 113.B O no hydrogen 3.029 N/A ASP 107.B N LEU 111.B O no hydrogen 2.949 N/A PHE 109.B N ASP 107.B OD1 no hydrogen 2.986 N/A GLY 110.B N ASP 107.B O no hydrogen 3.124 N/A LEU 111.B N ASP 107.B OD1 no hydrogen 3.175 N/A LEU 113.B N LEU 105.B O no hydrogen 2.826 N/A GLU 114.B N ALA 62.B O no hydrogen 2.887 N/A ILE 115.B N LEU 103.B O no hydrogen 2.906 N/A TYR 116.B N LEU 64.B O no hydrogen 2.955 N/A TYR 116.B OH GLU 65.B OE2 no hydrogen 2.589 N/A TYR 117.B N GLY 101.B O no hydrogen 3.136 N/A ALA 120.B N LYS 98.B O no hydrogen 3.056 N/A ILE 122.B N GLN 44.B O no hydrogen 2.902 N/A GLU 125.B N ILE 122.B O no hydrogen 2.933 N/A SER 130.B N GLY 27.B O no hydrogen 3.033 N/A SER 130.B OG LEU 28.B O no hydrogen 2.616 N/A SER 134.B N ASP 219.B OD2 no hydrogen 2.780 N/A SER 134.B OG ASP 219.B OD1 no hydrogen 2.673 N/A SER 134.B OG ASP 219.B OD2 no hydrogen 3.440 N/A VAL 137.B N GLN 213.B O no hydrogen 2.774 N/A THR 138.B OG1 ASP 43.B OD1 no hydrogen 2.665 N/A GLN 141.B N THR 138.B O no hydrogen 3.080 N/A GLY 142.B N GLY 139.B O no hydrogen 2.984 N/A ILE 143.B N LEU 5.B O no hydrogen 2.909 N/A HIS 145.B N MET 211.B O no hydrogen 3.269 N/A PHE 146.B N THR 195.B O no hydrogen 3.093 N/A VAL 147.B N HIS 209.B O no hydrogen 3.064 N/A ARG 148.B N ALA 197.B O no hydrogen 2.755 N/A ARG 148.B NE ASP 107.B OD2 no hydrogen 2.789 N/A ARG 148.B NH1 ASP 107.B OD1 no hydrogen 2.941 N/A ARG 148.B NH1 ASP 107.B OD2 no hydrogen 3.342 N/A ARG 148.B NH2 ARG 206.B O no hydrogen 2.964 N/A CYS 149.B N ARG 206.B O no hydrogen 2.940 N/A CYS 149.B SG LYS 205.B O no hydrogen 3.542 N/A VAL 150.B N ALA 199.B O no hydrogen 2.989 N/A LYS 155.B N ASP 152.B OD1 no hydrogen 3.044 N/A ALA 156.B N ASP 152.B O no hydrogen 3.051 N/A MET 157.B N THR 153.B O no hydrogen 2.729 N/A ALA 158.B N ALA 154.B O no hydrogen 3.004 N/A PHE 159.B N LYS 155.B O no hydrogen 3.295 N/A TYR 160.B N ALA 156.B O no hydrogen 2.957 N/A TYR 160.B OH ASP 107.B OD2 no hydrogen 2.655 N/A THR 161.B N MET 157.B O no hydrogen 2.929 N/A THR 161.B OG1 MET 157.B O no hydrogen 2.708 N/A GLU 162.B N ALA 158.B O no hydrogen 2.870 N/A VAL 163.B N PHE 159.B O no hydrogen 3.022 N/A LEU 164.B N PHE 159.B O no hydrogen 3.212 N/A GLY 165.B N THR 161.B O no hydrogen 3.059 N/A PHE 166.B N TYR 160.B O no hydrogen 2.928 N/A VAL 167.B N HIS 188.B O no hydrogen 2.838 N/A SER 169.B N PHE 186.B O no hydrogen 2.721 N/A SER 169.B OG HIS 188.B ND1 no hydrogen 2.759 N/A SER 169.B OG HIS 193.B O no hydrogen 2.691 N/A ILE 171.B N ALA 275.B O no hydrogen 3.182 N/A ILE 172.B N ALA 184.B O no hydrogen 2.967 N/A ASP 173.B N HIS 277.B O no hydrogen 2.919 N/A ILE 174.B N VAL 182.B O no hydrogen 2.808 N/A GLN 175.B NE2 GLY 177.B O no hydrogen 2.952 N/A MET 176.B N THR 180.B O no hydrogen 2.828 N/A GLY 177.B N THR 180.B O no hydrogen 3.319 N/A VAL 182.B N ILE 174.B O no hydrogen 2.904 N/A ALA 184.B N ILE 172.B O no hydrogen 2.807 N/A HIS 185.B N LEU 198.B O no hydrogen 2.863 N/A HIS 185.B ND1 PRO 183.B O no hydrogen 2.920 N/A PHE 186.B N ASP 170.B O no hydrogen 2.965 N/A LEU 187.B N ILE 196.B O no hydrogen 2.849 N/A HIS 188.B N VAL 167.B O no hydrogen 2.696 N/A HIS 188.B ND1 SER 169.B OG no hydrogen 2.759 N/A ASN 190.B ND2 GLU 3.B O no hydrogen 2.897 N/A ARG 192.B N ASN 190.B OD1 no hydrogen 2.867 N/A ARG 192.B NE GLN 141.B O no hydrogen 2.916 N/A ARG 192.B NH1 VAL 137.B O no hydrogen 3.051 N/A ARG 192.B NH1 GLN 141.B O no hydrogen 3.556 N/A ARG 192.B NH1 GLY 142.B O no hydrogen 3.049 N/A HIS 193.B ND1 HIS 194.B ND1 no hydrogen 2.778 N/A HIS 193.B NE2 ASP 170.B OD2 no hydrogen 2.658 N/A HIS 194.B ND1 HIS 193.B ND1 no hydrogen 2.778 N/A THR 195.B N LEU 187.B O no hydrogen 2.846 N/A ILE 196.B N LEU 187.B O no hydrogen 3.407 N/A ALA 197.B N PHE 146.B O no hydrogen 3.070 N/A LEU 198.B N HIS 185.B O no hydrogen 2.748 N/A ALA 199.B N ARG 148.B O no hydrogen 3.073 N/A LYS 205.B NZ LEU 56.B O no hydrogen 3.107 N/A LYS 205.B NZ ASP 57.B O no hydrogen 2.799 N/A ARG 206.B N ASP 58.B OD1 no hydrogen 2.844 N/A ARG 206.B N ASP 58.B OD2 no hydrogen 3.257 N/A ARG 206.B NH1 LEU 59.B O no hydrogen 2.896 N/A HIS 208.B N VAL 147.B O no hydrogen 2.891 N/A HIS 208.B ND1 HIS 209.B ND1 no hydrogen 2.812 N/A HIS 209.B ND1 HIS 208.B ND1 no hydrogen 2.812 N/A PHE 210.B N GLU 258.B O no hydrogen 3.286 N/A MET 211.B N HIS 145.B O no hydrogen 2.807 N/A LEU 212.B N GLU 260.B O no hydrogen 3.003 N/A ALA 214.B N GLY 262.B O no hydrogen 2.778 N/A ASN 215.B N GLY 135.B O no hydrogen 2.975 N/A THR 216.B N ASP 219.B OD1 no hydrogen 3.050 N/A ASP 219.B N THR 216.B OG1 no hydrogen 3.041 N/A VAL 220.B N THR 216.B O no hydrogen 3.390 N/A GLY 221.B N ILE 217.B O no hydrogen 2.938 N/A TYR 222.B N ASP 218.B O no hydrogen 2.822 N/A ALA 223.B N ASP 219.B O no hydrogen 3.016 N/A PHE 224.B N VAL 220.B O no hydrogen 2.921 N/A ASP 225.B N GLY 221.B O no hydrogen 3.340 N/A ARG 226.B N TYR 222.B O no hydrogen 3.132 N/A ARG 226.B NE SER 25.B O no hydrogen 2.818 N/A ARG 226.B NH1 SER 25.B O no hydrogen 3.047 N/A ARG 226.B NH2 PRO 132.B O no hydrogen 3.192 N/A LEU 227.B N ALA 223.B O no hydrogen 2.957 N/A ASP 228.B N PHE 224.B O no hydrogen 2.832 N/A ALA 229.B N ASP 225.B O no hydrogen 2.942 N/A ALA 230.B N ARG 226.B O no hydrogen 3.164 N/A GLY 231.B N ASP 228.B O no hydrogen 2.882 N/A ARG 232.B N LEU 227.B O no hydrogen 2.945 N/A ARG 232.B NH1 ASP 251.B O no hydrogen 3.466 N/A THR 234.B N TYR 249.B O no hydrogen 2.948 N/A THR 234.B OG1 GLU 258.B OE2 no hydrogen 2.682 N/A SER 235.B N TYR 249.B O no hydrogen 3.257 N/A SER 235.B OG.A LEU 236.B O no hydrogen 2.754 N/A LEU 236.B N LYS 286.B O no hydrogen 2.908 N/A GLY 238.B N SER 247.B O no hydrogen 2.957 N/A ARG 239.B N TRP 283.B O no hydrogen 2.902 N/A ARG 239.B NE GLN 244.B O no hydrogen 2.785 N/A ARG 239.B NH1 GLN 244.B O no hydrogen 3.421 N/A ARG 239.B NH1 GLY 264.B O no hydrogen 3.025 N/A HIS 240.B N THR 245.B O no hydrogen 2.936 N/A HIS 240.B ND1 THR 280.B O no hydrogen 2.861 N/A HIS 240.B NE2 GLU 260.B OE1 no hydrogen 2.663 N/A THR 241.B N THR 280.B O no hydrogen 3.116 N/A THR 241.B OG1 ARG 279.B O no hydrogen 2.786 N/A ASN 242.B ND2 ASP 170.B OD1 no hydrogen 2.992 N/A ASP 243.B N ASN 242.B OD1 no hydrogen 2.892 N/A GLN 244.B N HIS 240.B O no hydrogen 3.209 N/A THR 245.B N ASP 243.B OD2 no hydrogen 2.924 N/A THR 245.B OG1 ASP 243.B OD1 no hydrogen 2.809 N/A LEU 246.B N TRP 263.B O no hydrogen 2.816 N/A SER 247.B N GLY 238.B O no hydrogen 2.837 N/A SER 247.B OG GLU 260.B OE1 no hydrogen 2.725 N/A SER 247.B OG HIS 285.B NE2 no hydrogen 2.938 N/A PHE 248.B N PHE 261.B O no hydrogen 3.148 N/A TYR 249.B N SER 235.B OG.A no hydrogen 3.055 N/A TYR 249.B OH HIS 240.B NE2 no hydrogen 2.989 N/A ALA 250.B N VAL 259.B O no hydrogen 2.919 N/A ASP 251.B N ARG 232.B O no hydrogen 2.778 N/A THR 252.B N ILE 257.B O no hydrogen 2.996 N/A THR 252.B OG1 SER 254.B O no hydrogen 3.190 N/A THR 252.B OG1 ILE 257.B O no hydrogen 2.846 N/A SER 254.B N THR 252.B OG1 no hydrogen 3.035 N/A SER 254.B OG ASP 57.B OD1 no hydrogen 2.785 N/A ILE 257.B N SER 254.B O no hydrogen 3.109 N/A GLU 258.B N HIS 208.B O no hydrogen 3.075 N/A VAL 259.B N ALA 250.B O no hydrogen 2.791 N/A GLU 260.B N PHE 210.B O no hydrogen 2.857 N/A PHE 261.B N PHE 248.B O no hydrogen 3.041 N/A GLY 262.B N LEU 212.B O no hydrogen 3.053 N/A TRP 263.B N LEU 246.B O no hydrogen 2.803 N/A ARG 266.B N ASP 243.B O no hydrogen 2.751 N/A VAL 268.B N GLY 191.B O no hydrogen 2.772 N/A SER 271.B N ASP 269.B OD1 no hydrogen 2.726 N/A SER 271.B OG ASP 269.B OD1 no hydrogen 2.921 N/A TRP 272.B N ASP 269.B O no hydrogen 3.107 N/A THR 273.B OG1 SER 271.B O no hydrogen 3.499 N/A ARG 276.B NE ASP 173.B OD1 no hydrogen 2.755 N/A ARG 276.B NH2 ASP 173.B OD1 no hydrogen 3.543 N/A ARG 276.B NH2 ASP 173.B OD2 no hydrogen 2.803 N/A HIS 277.B N ILE 171.B O no hydrogen 2.931 N/A ARG 279.B NH1 SER 278.B O no hydrogen 3.004 N/A MET 282.B N ARG 239.B O no hydrogen 2.778 N/A HIS 285.B N LEU 237.B O no hydrogen 2.994 N/A HIS 285.B NE2 SER 247.B O no hydrogen 3.007 N/A HIS 285.B NE2 SER 247.B OG no hydrogen 2.938 N/A VAL 288.B N THR 234.B O no hydrogen 2.996 N/A