Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kws_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ARG 31.A O no hydrogen 2.906 N/A TYR 4.A N VAL 104.A O no hydrogen 2.730 N/A VAL 5.A N HIS 33.A O no hydrogen 2.956 N/A VAL 6.A N TYR 106.A O no hydrogen 2.638 N/A THR 7.A N LEU 35.A O no hydrogen 2.936 N/A THR 7.A OG1 ALA 108.A O no hydrogen 2.760 N/A THR 9.A N VAL 37.A O no hydrogen 2.946 N/A THR 9.A OG1 ASP 110.A OD2 no hydrogen 2.884 N/A ARG 12.A NH1 TYR 10.A O no hydrogen 2.837 N/A ARG 12.A NH1 ASP 110.A OD2 no hydrogen 2.789 N/A ARG 12.A NH2 ASP 110.A OD1 no hydrogen 3.047 N/A ARG 12.A NH2 ASP 110.A OD2 no hydrogen 3.108 N/A GLN 15.A N ARG 12.A O no hydrogen 2.947 N/A GLN 15.A NE2 THR 9.A OG1 no hydrogen 3.057 N/A LYS 16.A NZ GLU 249.A OE1 no hydrogen 2.565 N/A GLU 18.A N VAL 14.A O no hydrogen 2.984 N/A LEU 19.A N GLN 15.A O no hydrogen 2.913 N/A VAL 20.A N LYS 16.A O no hydrogen 2.786 N/A ARG 21.A N ALA 17.A O no hydrogen 3.107 N/A ARG 21.A NE GLU 18.A OE1 no hydrogen 3.123 N/A ARG 21.A NH2 GLU 18.A OE1 no hydrogen 2.906 N/A LEU 22.A N GLU 18.A O no hydrogen 2.963 N/A SER 23.A N LEU 19.A O no hydrogen 2.825 N/A SER 23.A OG LEU 19.A O no hydrogen 2.653 N/A SER 23.A OG VAL 20.A O no hydrogen 2.902 N/A GLN 24.A N VAL 20.A O no hydrogen 2.852 N/A THR 25.A N ARG 21.A O no hydrogen 2.881 N/A THR 25.A OG1 ARG 21.A O no hydrogen 3.198 N/A LEU 26.A N LEU 22.A O no hydrogen 2.857 N/A SER 27.A N SER 23.A O no hydrogen 3.027 N/A SER 27.A OG GLN 24.A O no hydrogen 2.697 N/A LEU 28.A N THR 25.A O no hydrogen 3.036 N/A VAL 29.A N LEU 26.A O no hydrogen 3.058 N/A HIS 33.A N ILE 3.A O no hydrogen 2.815 N/A HIS 33.A NE2 THR 59.A OG1 no hydrogen 2.653 N/A TRP 34.A N LEU 57.A O no hydrogen 2.926 N/A TRP 34.A NE1 THR 7.A OG1 no hydrogen 2.933 N/A LEU 35.A N VAL 5.A O no hydrogen 2.693 N/A LEU 36.A N THR 59.A O no hydrogen 3.256 N/A VAL 37.A N THR 7.A O no hydrogen 2.916 N/A GLU 38.A N LEU 61.A O no hydrogen 2.938 N/A ASP 39.A N THR 9.A O no hydrogen 2.797 N/A THR 44.A N GLU 38.A OE2 no hydrogen 2.975 N/A THR 44.A OG1 GLU 38.A OE1 no hydrogen 2.524 N/A THR 44.A OG1 GLU 38.A OE2 no hydrogen 3.454 N/A VAL 47.A N THR 44.A OG1 no hydrogen 3.188 N/A SER 48.A N THR 44.A O no hydrogen 2.844 N/A SER 48.A OG THR 44.A O no hydrogen 2.771 N/A GLY 49.A N PRO 45.A O no hydrogen 2.814 N/A LEU 50.A N LEU 46.A O no hydrogen 2.990 N/A LEU 51.A N VAL 47.A O no hydrogen 2.902 N/A ALA 52.A N SER 48.A O no hydrogen 3.070 N/A ALA 53.A N GLY 49.A O no hydrogen 3.055 N/A SER 54.A N LEU 51.A O no hydrogen 3.080 N/A SER 54.A OG LEU 51.A O no hydrogen 2.780 N/A LEU 56.A N SER 54.A OG no hydrogen 2.961 N/A THR 59.A N TRP 34.A O no hydrogen 2.963 N/A THR 59.A OG1 HIS 33.A NE2 no hydrogen 2.653 N/A THR 59.A OG1 GLU 93.A O no hydrogen 2.713 N/A HIS 60.A N GLY 91.A O no hydrogen 2.856 N/A HIS 60.A NE2 GLU 38.A OE2 no hydrogen 2.508 N/A LEU 61.A N LEU 36.A O no hydrogen 2.924 N/A VAL 63.A N GLU 38.A O no hydrogen 2.936 N/A THR 65.A N ASP 39.A OD1 no hydrogen 2.940 N/A THR 65.A OG1 ASP 39.A OD2 no hydrogen 2.577 N/A THR 65.A OG1 GLU 74.A OE1 no hydrogen 3.041 N/A GLN 75.A NE2 VAL 63.A O no hydrogen 3.059 N/A GLN 75.A NE2 THR 65.A OG1 no hydrogen 2.840 N/A ARG 76.A N GLY 72.A O no hydrogen 2.862 N/A ARG 76.A NH1 ARG 71.A O no hydrogen 2.802 N/A ARG 76.A NH2 ARG 71.A O no hydrogen 3.521 N/A ARG 76.A NH2 ASP 109.A OD2 no hydrogen 2.740 N/A ASN 77.A N VAL 73.A O no hydrogen 2.859 N/A ASN 77.A ND2 PHE 186.A O no hydrogen 3.000 N/A LYS 78.A N GLU 74.A O no hydrogen 2.893 N/A ALA 79.A N GLN 75.A O no hydrogen 3.151 N/A LEU 80.A N ARG 76.A O no hydrogen 3.094 N/A ASP 81.A N ASN 77.A O no hydrogen 2.853 N/A TRP 82.A N LYS 78.A O no hydrogen 2.993 N/A TRP 82.A NE1 LYS 94.A O no hydrogen 2.992 N/A LEU 83.A N ALA 79.A O no hydrogen 2.997 N/A ARG 84.A N LEU 80.A O no hydrogen 2.873 N/A ARG 84.A NE LEU 178.A O no hydrogen 3.265 N/A ARG 84.A NH1 ALA 184.A O no hydrogen 2.849 N/A ARG 84.A NH2 LEU 178.A O no hydrogen 2.934 N/A ARG 84.A NH2 ALA 184.A O no hydrogen 2.721 N/A GLY 85.A N TRP 82.A O no hydrogen 3.056 N/A ARG 86.A N ASP 81.A O no hydrogen 2.963 N/A ARG 86.A NH1 ASP 81.A OD1 no hydrogen 2.761 N/A VAL 90.A N HIS 60.A O no hydrogen 2.825 N/A GLU 93.A N PHE 58.A O no hydrogen 2.821 N/A THR 101.A N PRO 98.A O no hydrogen 3.174 N/A THR 101.A OG1 PRO 98.A O no hydrogen 2.733 N/A VAL 104.A N THR 2.A O no hydrogen 3.116 N/A VAL 105.A N VAL 173.A O no hydrogen 2.656 N/A TYR 106.A N TYR 4.A O no hydrogen 2.810 N/A TYR 106.A OH ALA 169.A O no hydrogen 2.768 N/A ALA 108.A N VAL 6.A O no hydrogen 2.908 N/A ASN 112.A ND2 TYR 114.A OH no hydrogen 3.086 N/A THR 113.A N TRP 222.A O no hydrogen 2.961 N/A THR 113.A OG1 THR 224.A OG1 no hydrogen 2.876 N/A TYR 114.A OH ASP 109.A O no hydrogen 2.604 N/A SER 115.A N LEU 220.A O no hydrogen 3.192 N/A SER 115.A OG LEU 220.A O no hydrogen 3.080 N/A LEU 118.A N SER 115.A O no hydrogen 3.042 N/A LEU 118.A N SER 115.A OG no hydrogen 3.317 N/A PHE 119.A N ARG 116.A O no hydrogen 3.286 N/A GLU 120.A N GLU 117.A O no hydrogen 3.179 N/A GLU 121.A N GLU 117.A O no hydrogen 3.355 N/A GLU 121.A N LEU 118.A O no hydrogen 3.094 N/A MET 122.A N LEU 118.A O no hydrogen 3.253 N/A ARG 123.A N PHE 119.A O no hydrogen 3.090 N/A ARG 123.A NE GLU 120.A OE2 no hydrogen 2.797 N/A ARG 123.A NH1 MET 1.A O no hydrogen 2.848 N/A ARG 123.A NH1 PRO 30.A O no hydrogen 3.159 N/A ARG 123.A NH1 ARG 31.A O no hydrogen 3.276 N/A ARG 123.A NH2 PRO 30.A O no hydrogen 2.883 N/A ARG 123.A NH2 GLU 120.A OE1 no hydrogen 2.815 N/A THR 125.A OG1 MET 122.A O no hydrogen 2.650 N/A THR 125.A OG1 SER 129.A OG no hydrogen 2.801 N/A ARG 126.A N GLU 210.A OE1 no hydrogen 2.946 N/A GLY 127.A N GLU 210.A OE2 no hydrogen 2.653 N/A SER 129.A N ALA 172.A O no hydrogen 2.978 N/A SER 129.A OG THR 125.A OG1 no hydrogen 2.801 N/A VAL 130.A N GLU 210.A O no hydrogen 2.761 N/A TRP 131.A N GLY 170.A O no hydrogen 3.131 N/A TRP 131.A NE1 ALA 169.A O no hydrogen 2.938 N/A VAL 133.A N GLU 142.A O no hydrogen 2.914 N/A GLY 134.A N VAL 221.A O no hydrogen 2.805 N/A LEU 135.A N ARG 140.A O no hydrogen 2.664 N/A LEU 139.A N VAL 136.A O no hydrogen 2.957 N/A GLU 142.A N VAL 133.A O no hydrogen 2.857 N/A GLY 143.A N HIS 155.A O no hydrogen 3.149 N/A GLN 145.A N GLY 153.A O no hydrogen 2.670 N/A GLN 147.A N ARG 150.A O no hydrogen 2.830 N/A ARG 150.A N GLN 147.A O no hydrogen 3.103 N/A ARG 150.A NH2 LYS 207.A O no hydrogen 3.566 N/A VAL 152.A N GLN 145.A O no hydrogen 2.921 N/A HIS 155.A N GLY 143.A O no hydrogen 2.690 N/A THR 156.A OG1 GLU 142.A OE2 no hydrogen 2.824 N/A SER 161.A OG GLU 159.A OE2 no hydrogen 3.397 N/A ARG 162.A N GLU 159.A O no hydrogen 3.310 N/A ARG 162.A NE GLU 159.A O no hydrogen 2.859 N/A ARG 162.A NH2 GLU 142.A OE2 no hydrogen 2.858 N/A ARG 162.A NH2 TRP 158.A O no hydrogen 2.746 N/A PHE 164.A N SER 197.A OG no hydrogen 3.002 N/A VAL 166.A N PHE 164.A O no hydrogen 2.771 N/A ALA 169.A N ASP 167.A OD1 no hydrogen 2.946 N/A GLY 170.A N ASP 167.A O no hydrogen 2.723 N/A ALA 172.A N SER 129.A O no hydrogen 3.123 N/A VAL 173.A N VAL 105.A O no hydrogen 2.913 N/A ALA 174.A N GLY 127.A O no hydrogen 2.843 N/A LEU 175.A N GLY 103.A O no hydrogen 2.901 N/A LEU 178.A N ALA 174.A O no hydrogen 3.209 N/A LEU 179.A N LEU 175.A O no hydrogen 3.118 N/A ASP 180.A N PRO 176.A O no hydrogen 2.898 N/A LYS 181.A N LEU 178.A O no hydrogen 3.234 N/A ALA 184.A N LYS 181.A O no hydrogen 2.902 N/A PHE 186.A N ASN 77.A OD1 no hydrogen 2.858 N/A ASP 187.A N SER 198.A OG no hydrogen 2.835 N/A THR 189.A N ASP 187.A OD1 no hydrogen 2.839 N/A THR 189.A OG1 ASP 187.A OD1 no hydrogen 2.736 N/A THR 189.A OG1 ASP 187.A OD2 no hydrogen 3.123 N/A ALA 190.A N ASP 187.A O no hydrogen 3.216 N/A HIS 194.A N PRO 191.A O no hydrogen 2.861 N/A HIS 194.A NE2 GLU 159.A OE2 no hydrogen 3.009 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.608 N/A SER 197.A OG PHE 164.A O no hydrogen 3.349 N/A SER 198.A N HIS 194.A O no hydrogen 3.042 N/A SER 198.A N LEU 195.A O no hydrogen 3.118 N/A SER 198.A OG LEU 195.A O no hydrogen 2.677 N/A LEU 199.A N GLU 196.A O no hydrogen 3.199 N/A LEU 200.A N GLU 196.A O no hydrogen 3.122 N/A SER 201.A N SER 197.A O no hydrogen 2.984 N/A SER 201.A OG SER 197.A O no hydrogen 3.116 N/A HIS 202.A N LEU 199.A O no hydrogen 3.071 N/A LEU 203.A N LEU 200.A O no hydrogen 2.819 N/A VAL 204.A N LEU 200.A O no hydrogen 3.003 N/A LYS 207.A NZ ASP 208.A OD1 no hydrogen 3.491 N/A LYS 207.A NZ ASP 208.A OD2 no hydrogen 2.892 N/A ASP 208.A N ASP 205.A O no hydrogen 2.853 N/A LEU 209.A N PRO 206.A O no hydrogen 3.119 N/A GLU 210.A N VAL 128.A O no hydrogen 2.840 N/A ARG 212.A N VAL 130.A O no hydrogen 2.814 N/A ARG 212.A NE GLU 121.A O no hydrogen 2.530 N/A ARG 212.A NH2 GLU 121.A O no hydrogen 3.145 N/A ALA 213.A N GLU 121.A OE1 no hydrogen 2.752 N/A CYS 216.A N ARG 212.A O no hydrogen 2.759 N/A CYS 216.A SG VAL 130.A O no hydrogen 3.676 N/A CYS 216.A SG ARG 212.A O no hydrogen 3.707 N/A THR 217.A N ALA 213.A O no hydrogen 3.018 N/A THR 217.A OG1 ALA 214.A O no hydrogen 2.577 N/A ARG 218.A N ALA 213.A O no hydrogen 3.203 N/A ARG 218.A NH1 GLU 117.A OE1 no hydrogen 2.965 N/A ARG 218.A NH2 GLU 117.A OE1 no hydrogen 2.618 N/A TRP 222.A N THR 113.A O no hydrogen 3.001 N/A HIS 223.A N GLY 134.A O no hydrogen 2.837 N/A THR 224.A OG1 ASP 111.A O no hydrogen 2.876 N/A THR 224.A OG1 THR 113.A OG1 no hydrogen 2.876 N/A THR 226.A OG1 GLU 18.A OE2 no hydrogen 2.466 N/A GLU 235.A N MET 231.A O no hydrogen 3.059 N/A GLN 236.A N LYS 232.A O no hydrogen 3.143 N/A LEU 237.A N GLN 233.A O no hydrogen 2.833 N/A GLN 238.A N GLU 234.A O no hydrogen 3.034 N/A GLN 238.A NE2 GLU 234.A O no hydrogen 3.257 N/A ARG 239.A N GLU 235.A O no hydrogen 3.492 N/A GLN 240.A N GLN 236.A O no hydrogen 3.366 N/A GLY 241.A N GLN 238.A O no hydrogen 2.643 N/A ARG 242.A N LEU 237.A O no hydrogen 2.878 N/A ARG 242.A NE GLN 240.A OE1 no hydrogen 2.831 N/A ARG 242.A NH2 GLN 240.A OE1 no hydrogen 3.030 N/A SER 244.A N GLU 234.A OE2 no hydrogen 2.870 N/A SER 244.A OG GLU 234.A OE1 no hydrogen 2.400 N/A SER 244.A OG GLU 234.A OE2 no hydrogen 3.347 N/A ALA 247.A N ASP 245.A OD1 no hydrogen 2.697 N/A ILE 248.A N ASP 245.A O no hydrogen 3.099 N/A