Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a36_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N GLU 2.A O no hydrogen 2.763 N/A LEU 5.A N LEU 297.A O no hydrogen 2.749 N/A HIS 6.A ND1 ASN 298.A OD1 no hydrogen 2.649 N/A LEU 8.A N LEU 5.A O no hydrogen 2.939 N/A ILE 9.A N LEU 5.A O no hydrogen 2.794 N/A THR 10.A N HIS 6.A O no hydrogen 2.864 N/A SER 11.A N LEU 8.A O no hydrogen 2.961 N/A SER 11.A OG HIS 14.A ND1 no hydrogen 2.620 N/A THR 13.A N SER 11.A OG no hydrogen 3.090 N/A THR 13.A OG1 ASP 197.A O no hydrogen 3.444 N/A HIS 14.A N SER 11.A OG no hydrogen 3.134 N/A HIS 14.A ND1 SER 11.A OG no hydrogen 2.620 N/A LYS 15.A N LEU 198.A O no hydrogen 2.750 N/A TRP 16.A N LEU 198.A O no hydrogen 3.066 N/A ILE 17.A N VAL 126.A O no hydrogen 2.943 N/A PHE 18.A N THR 200.A O no hydrogen 2.998 N/A VAL 19.A N PHE 128.A O no hydrogen 2.907 N/A GLY 20.A N VAL 202.A O no hydrogen 3.167 N/A LYS 22.A NZ GLU 214.A OE1 no hydrogen 3.257 N/A LYS 22.A NZ GLU 214.A OE2 no hydrogen 3.235 N/A LYS 27.A NZ THR 28.A OG1 no hydrogen 3.199 N/A SER 30.A N GLY 26.A O no hydrogen 3.012 N/A SER 30.A OG GLY 26.A O no hydrogen 2.703 N/A SER 31.A N LYS 27.A O no hydrogen 2.895 N/A SER 31.A OG LYS 27.A O no hydrogen 3.223 N/A SER 31.A OG ASP 129.A OD1 no hydrogen 2.817 N/A CYS 32.A N THR 28.A O no hydrogen 2.977 N/A CYS 32.A SG THR 28.A O no hydrogen 3.468 N/A SER 33.A N THR 29.A O no hydrogen 2.871 N/A SER 33.A OG THR 29.A O no hydrogen 2.856 N/A ILE 34.A N SER 30.A O no hydrogen 2.963 N/A ALA 35.A N SER 31.A O no hydrogen 3.019 N/A ILE 36.A N CYS 32.A O no hydrogen 2.847 N/A GLN 37.A N SER 33.A O no hydrogen 2.839 N/A MET 38.A N ILE 34.A O no hydrogen 2.965 N/A ALA 39.A N ALA 35.A O no hydrogen 2.896 N/A LEU 40.A N ILE 36.A O no hydrogen 2.741 N/A SER 41.A N GLN 37.A O no hydrogen 3.223 N/A SER 41.A OG ILE 9.A O no hydrogen 3.383 N/A SER 41.A OG GLN 37.A O no hydrogen 2.656 N/A SER 41.A OG MET 38.A O no hydrogen 3.161 N/A GLN 42.A N ALA 39.A O no hydrogen 3.367 N/A GLN 42.A NE2 ILE 9.A O no hydrogen 3.041 N/A GLN 42.A NE2 SER 11.A O no hydrogen 2.836 N/A LYS 45.A N GLN 42.A O no hydrogen 2.897 N/A GLN 46.A N ASP 124.A OD1 no hydrogen 2.724 N/A GLN 46.A NE2 ASN 77.A O no hydrogen 3.034 N/A PHE 47.A N ASN 78.A O no hydrogen 2.746 N/A LEU 48.A N THR 125.A O no hydrogen 2.956 N/A LEU 49.A N SER 80.A O no hydrogen 2.819 N/A ILE 50.A N ILE 127.A O no hydrogen 3.077 N/A SER 51.A N MET 82.A O no hydrogen 3.028 N/A SER 51.A OG ASN 57.A OD1 no hydrogen 2.731 N/A SER 51.A OG ASP 129.A OD2 no hydrogen 2.964 N/A ALA 55.A N ASP 53.A OD1 no hydrogen 3.185 N/A HIS 56.A N ASP 53.A O no hydrogen 3.041 N/A HIS 56.A ND1 GLU 83.A OE2 no hydrogen 3.105 N/A ASN 57.A ND2 THR 28.A OG1 no hydrogen 2.723 N/A ASN 57.A ND2 ASP 129.A OD2 no hydrogen 2.617 N/A LEU 58.A N GLU 83.A OE1 no hydrogen 3.227 N/A SER 59.A N GLU 83.A OE2 no hydrogen 3.149 N/A SER 59.A OG GLU 64.A O no hydrogen 3.142 N/A SER 59.A OG GLU 83.A OE2 no hydrogen 2.611 N/A ASP 60.A N HIS 56.A O no hydrogen 3.153 N/A ALA 61.A N ASN 57.A O no hydrogen 2.837 N/A PHE 62.A N LEU 58.A O no hydrogen 2.946 N/A GLY 63.A N SER 59.A O no hydrogen 2.739 N/A GLU 64.A N SER 59.A O no hydrogen 3.228 N/A PHE 66.A N SER 59.A OG no hydrogen 2.709 N/A ALA 70.A N GLN 115.A OE1 no hydrogen 3.156 N/A ARG 71.A N CYS 81.A O no hydrogen 3.265 N/A LYS 72.A NZ ASN 77.A O no hydrogen 3.304 N/A VAL 73.A N LEU 79.A O no hydrogen 2.831 N/A THR 74.A N GLU 64.A OE1 no hydrogen 2.996 N/A THR 74.A N GLU 64.A OE2 no hydrogen 2.634 N/A THR 74.A OG1 GLU 64.A OE1 no hydrogen 2.567 N/A MET 76.A N VAL 73.A O no hydrogen 3.027 N/A ASN 78.A ND2 ALA 39.A O no hydrogen 2.881 N/A ASN 78.A ND2 LYS 45.A O no hydrogen 2.711 N/A SER 80.A N PHE 47.A O no hydrogen 2.957 N/A CYS 81.A N ARG 71.A O no hydrogen 2.975 N/A MET 82.A N LEU 49.A O no hydrogen 3.035 N/A GLU 83.A N GLY 67.A O no hydrogen 2.858 N/A ILE 84.A N SER 51.A O no hydrogen 3.082 N/A ALA 88.A N ASP 85.A OD1 no hydrogen 3.236 N/A ALA 89.A N ASP 85.A O no hydrogen 3.238 N/A SER 95.A N LEU 92.A O no hydrogen 3.011 N/A ILE 96.A N LEU 92.A O no hydrogen 2.720 N/A ALA 102.A N GLY 98.A O no hydrogen 3.077 N/A LEU 103.A N ILE 99.A O no hydrogen 3.013 N/A SER 104.A N ASP 100.A O no hydrogen 2.720 N/A SER 104.A OG ASP 100.A O no hydrogen 3.337 N/A SER 104.A OG ASP 100.A OD1 no hydrogen 3.441 N/A PHE 105.A N GLU 101.A O no hydrogen 2.758 N/A MET 106.A N ALA 102.A O no hydrogen 2.963 N/A GLU 107.A N LEU 103.A O no hydrogen 3.172 N/A VAL 108.A N SER 104.A O no hydrogen 3.185 N/A MET 109.A N PHE 105.A O no hydrogen 2.887 N/A LYS 110.A N MET 106.A O no hydrogen 2.967 N/A LYS 110.A N GLU 107.A O no hydrogen 2.975 N/A HIS 111.A N GLU 107.A O no hydrogen 2.985 N/A ILE 112.A N VAL 108.A O no hydrogen 3.158 N/A LYS 113.A N MET 109.A O no hydrogen 3.264 N/A ARG 114.A N LYS 110.A O no hydrogen 3.093 N/A GLN 115.A N HIS 111.A O no hydrogen 3.254 N/A GLN 115.A N ILE 112.A O no hydrogen 2.771 N/A GLU 116.A N ILE 112.A O no hydrogen 2.890 N/A GLN 117.A N LYS 113.A O no hydrogen 2.869 N/A ASP 118.A N ARG 114.A O no hydrogen 3.315 N/A GLU 119.A N GLN 115.A O no hydrogen 3.138 N/A THR 122.A OG1 GLU 116.A OE1 no hydrogen 3.028 N/A THR 122.A OG1 PHE 123.A O no hydrogen 3.464 N/A PHE 123.A N GLU 116.A OE1 no hydrogen 3.008 N/A ASP 124.A N GLN 46.A O no hydrogen 2.927 N/A THR 125.A N GLN 46.A O no hydrogen 3.364 N/A THR 125.A OG1 HIS 14.A O no hydrogen 2.702 N/A VAL 126.A N LYS 15.A O no hydrogen 2.928 N/A ILE 127.A N LEU 48.A O no hydrogen 2.739 N/A PHE 128.A N ILE 17.A O no hydrogen 2.677 N/A ASP 129.A N ILE 50.A O no hydrogen 2.857 N/A THR 130.A N VAL 19.A O no hydrogen 3.071 N/A THR 130.A OG1 VAL 19.A O no hydrogen 2.761 N/A ARG 138.A N HIS 135.A O no hydrogen 2.805 N/A GLN 141.A N ARG 138.A O no hydrogen 2.944 N/A LEU 142.A N PHE 139.A O no hydrogen 2.889 N/A THR 145.A N GLN 141.A O no hydrogen 2.895 N/A THR 145.A OG1 GLN 141.A O no hydrogen 2.655 N/A LEU 146.A N LEU 142.A O no hydrogen 2.737 N/A SER 147.A N PRO 143.A O no hydrogen 3.074 N/A SER 147.A OG PRO 143.A O no hydrogen 3.255 N/A LYS 148.A N ASN 144.A O no hydrogen 3.299 N/A LEU 149.A N THR 145.A O no hydrogen 3.352 N/A LEU 150.A N LEU 146.A O no hydrogen 2.646 N/A GLU 151.A N LYS 148.A O no hydrogen 3.371 N/A LYS 152.A N LYS 148.A O no hydrogen 3.105 N/A LYS 152.A N LEU 149.A O no hydrogen 2.945 N/A PHE 153.A N LEU 149.A O no hydrogen 3.215 N/A GLU 155.A N GLU 151.A O no hydrogen 3.095 N/A ILE 156.A N PHE 153.A O no hydrogen 3.154 N/A THR 157.A N PHE 153.A O no hydrogen 2.466 N/A ASN 158.A N GLY 154.A O no hydrogen 3.366 N/A LYS 159.A N ILE 156.A O no hydrogen 2.896 N/A LEU 160.A N THR 157.A O no hydrogen 3.261 N/A ASN 165.A N GLY 161.A O no hydrogen 2.837 N/A SER 166.A N PRO 162.A O no hydrogen 3.181 N/A PHE 167.A N MET 163.A O no hydrogen 2.584 N/A PHE 167.A N LEU 164.A O no hydrogen 3.120 N/A ASN 172.A N ALA 170.A O no hydrogen 2.328 N/A ILE 175.A N ASN 172.A O no hydrogen 2.656 N/A SER 176.A N ASN 172.A O no hydrogen 3.270 N/A LEU 179.A N ILE 175.A O no hydrogen 2.807 N/A ASN 180.A N SER 176.A O no hydrogen 3.434 N/A GLU 181.A N GLY 177.A O no hydrogen 3.230 N/A LEU 182.A N LYS 178.A O no hydrogen 2.992 N/A LYS 183.A N LEU 179.A O no hydrogen 2.846 N/A LYS 183.A NZ GLU 187.A OE1 no hydrogen 2.921 N/A ALA 184.A N ASN 180.A O no hydrogen 3.254 N/A ASN 185.A N GLU 181.A O no hydrogen 3.247 N/A VAL 186.A N LEU 182.A O no hydrogen 2.900 N/A GLU 187.A N LYS 183.A O no hydrogen 3.193 N/A THR 188.A N ALA 184.A O no hydrogen 3.325 N/A THR 188.A OG1 ASN 185.A O no hydrogen 3.286 N/A ILE 189.A N ASN 185.A O no hydrogen 3.396 N/A ARG 190.A N VAL 186.A O no hydrogen 2.839 N/A ARG 190.A NE LEU 140.A O no hydrogen 2.805 N/A ARG 190.A NH2 ASP 226.A OD1 no hydrogen 2.956 N/A GLN 191.A N GLU 187.A O no hydrogen 3.226 N/A GLN 192.A N ILE 189.A O no hydrogen 2.787 N/A PHE 193.A N ILE 189.A O no hydrogen 2.683 N/A THR 194.A OG1 ASP 226.A O no hydrogen 3.019 N/A ASP 195.A N GLN 192.A O no hydrogen 3.214 N/A LEU 198.A N ASP 195.A O no hydrogen 2.799 N/A THR 199.A N ASP 195.A O no hydrogen 2.983 N/A THR 199.A OG1 PHE 193.A O no hydrogen 2.810 N/A THR 200.A N TRP 16.A O no hydrogen 3.166 N/A THR 200.A OG1 ASP 228.A O no hydrogen 3.162 N/A THR 200.A OG1 ASP 228.A OD2 no hydrogen 2.682 N/A PHE 201.A N ASP 228.A O no hydrogen 2.900 N/A VAL 202.A N PHE 18.A O no hydrogen 2.790 N/A CYS 203.A N SER 231.A O no hydrogen 3.110 N/A VAL 204.A N GLY 20.A O no hydrogen 2.767 N/A CYS 205.A N ILE 233.A O no hydrogen 3.021 N/A CYS 205.A SG ILE 233.A O no hydrogen 3.804 N/A ILE 206.A N SER 211.A OG no hydrogen 3.109 N/A SER 207.A OG GLN 258.A O no hydrogen 2.755 N/A GLU 208.A N ILE 206.A O no hydrogen 2.776 N/A LEU 212.A N GLU 208.A O no hydrogen 2.920 N/A TYR 213.A N PHE 209.A O no hydrogen 2.973 N/A GLU 214.A N LEU 210.A O no hydrogen 3.015 N/A THR 215.A N SER 211.A O no hydrogen 2.889 N/A THR 215.A OG1 LEU 212.A O no hydrogen 3.267 N/A GLU 216.A N LEU 212.A O no hydrogen 2.932 N/A ARG 217.A N TYR 213.A O no hydrogen 3.118 N/A LEU 218.A N GLU 214.A O no hydrogen 2.928 N/A ILE 219.A N THR 215.A O no hydrogen 2.922 N/A GLN 220.A N GLU 216.A O no hydrogen 3.106 N/A GLU 221.A N ARG 217.A O no hydrogen 3.018 N/A LEU 222.A N LEU 218.A O no hydrogen 2.887 N/A ILE 223.A N ILE 219.A O no hydrogen 2.925 N/A SER 224.A N GLN 220.A O no hydrogen 2.931 N/A SER 224.A OG GLU 221.A O no hydrogen 2.690 N/A TYR 225.A N LEU 222.A O no hydrogen 3.157 N/A TYR 225.A OH GLU 221.A OE1 no hydrogen 3.045 N/A ASP 226.A N ILE 223.A O no hydrogen 2.931 N/A MET 227.A N LEU 222.A O no hydrogen 3.053 N/A ILE 232.A N HIS 273.A O no hydrogen 2.950 N/A ILE 233.A N CYS 203.A O no hydrogen 2.776 N/A VAL 234.A N VAL 275.A O no hydrogen 2.840 N/A ASN 235.A N CYS 205.A O no hydrogen 2.805 N/A ASN 235.A ND2 VAL 25.A O no hydrogen 3.040 N/A ASN 235.A ND2 SER 30.A OG no hydrogen 3.198 N/A GLN 236.A NE2 GLY 24.A O no hydrogen 3.119 N/A LEU 237.A N MET 277.A O no hydrogen 3.211 N/A LEU 238.A N GLN 258.A OE1 no hydrogen 2.989 N/A ALA 240.A N LEU 238.A O no hydrogen 2.535 N/A ASN 242.A N PHE 239.A O no hydrogen 2.949 N/A ASN 242.A ND2 PHE 239.A O no hydrogen 3.686 N/A ASP 243.A N ALA 240.A O no hydrogen 3.222 N/A GLN 244.A N ASN 242.A O no hydrogen 2.403 N/A HIS 246.A N ASP 243.A O no hydrogen 2.845 N/A GLN 252.A N CYS 248.A O no hydrogen 3.017 N/A GLN 252.A NE2 ASN 247.A O no hydrogen 2.579 N/A GLN 252.A NE2 CYS 248.A O no hydrogen 3.364 N/A ALA 253.A N LYS 249.A O no hydrogen 2.819 N/A ARG 254.A N ARG 250.A O no hydrogen 2.981 N/A TRP 255.A N CYS 251.A O no hydrogen 2.947 N/A TRP 255.A NE1 GLU 241.A OE1 no hydrogen 2.978 N/A LYS 256.A N GLN 252.A O no hydrogen 3.066 N/A MET 257.A N ALA 253.A O no hydrogen 3.316 N/A GLN 258.A N ARG 254.A O no hydrogen 2.870 N/A GLN 258.A NE2 GLN 236.A O no hydrogen 3.307 N/A LYS 259.A N TRP 255.A O no hydrogen 2.718 N/A LYS 260.A N LYS 256.A O no hydrogen 3.058 N/A TYR 261.A N MET 257.A O no hydrogen 3.330 N/A LEU 262.A N GLN 258.A O no hydrogen 2.746 N/A ASP 263.A N LYS 259.A O no hydrogen 3.108 N/A GLN 264.A N LYS 260.A O no hydrogen 3.316 N/A ILE 265.A N TYR 261.A O no hydrogen 2.782 N/A ASP 266.A N LEU 262.A O no hydrogen 2.995 N/A GLU 267.A N ASP 263.A O no hydrogen 3.092 N/A LEU 268.A N GLN 264.A O no hydrogen 2.765 N/A TYR 269.A N ILE 265.A O no hydrogen 2.776 N/A PHE 272.A N TYR 269.A O no hydrogen 3.072 N/A HIS 273.A N ASN 230.A O no hydrogen 2.709 N/A VAL 275.A N ILE 232.A O no hydrogen 3.035 N/A MET 277.A N VAL 234.A O no hydrogen 2.868 N/A LEU 279.A N LEU 237.A O no hydrogen 2.479 N/A CYS 280.A SG ILE 310.A O no hydrogen 3.855 N/A GLY 286.A N ALA 61.A O no hydrogen 2.771 N/A ASN 289.A ND2 ARG 285.A O no hydrogen 3.254 N/A LEU 290.A N GLY 286.A O no hydrogen 2.959 N/A THR 291.A N LEU 287.A O no hydrogen 2.756 N/A THR 291.A OG1 LEU 287.A O no hydrogen 3.127 N/A LYS 292.A N ASN 288.A O no hydrogen 3.014 N/A LYS 292.A NZ GLU 312.A OE1 no hydrogen 3.474 N/A PHE 293.A N ASN 289.A O no hydrogen 2.897 N/A SER 294.A N LEU 290.A O no hydrogen 2.659 N/A SER 294.A OG GLN 37.A OE1 no hydrogen 2.542 N/A SER 294.A OG LEU 290.A O no hydrogen 3.078 N/A SER 294.A OG THR 291.A O no hydrogen 2.655 N/A GLN 295.A N THR 291.A O no hydrogen 3.181 N/A GLN 295.A NE2 LYS 292.A O no hydrogen 2.887 N/A PHE 296.A N PHE 293.A O no hydrogen 3.048 N/A LEU 297.A N SER 294.A O no hydrogen 2.961 N/A ASN 298.A N GLN 295.A O no hydrogen 3.052 N/A LYS 299.A N GLN 295.A O no hydrogen 3.201 N/A GLU 300.A N GLU 300.A OE2 no hydrogen 2.689 N/A ASN 302.A N ASP 306.A OD1 no hydrogen 3.081 N/A ILE 304.A N ASN 302.A OD1 no hydrogen 2.990 N/A THR 305.A N ASN 302.A OD1 no hydrogen 3.193 N/A ASP 306.A N ASN 302.A O no hydrogen 2.775 N/A VAL 309.A N ASP 306.A O no hydrogen 2.879 N/A ILE 310.A N GLY 307.A O no hydrogen 3.005 N/A TYR 311.A N GLY 307.A O no hydrogen 3.177 N/A GLU 314.A N TYR 311.A O no hydrogen 3.203 N/A