Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e25_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N GLN 209.A O no hydrogen 2.771 N/A THR 9.A N GLU 12.A OE1 no hydrogen 2.584 N/A GLU 12.A N THR 9.A OG1 no hydrogen 3.134 N/A LEU 13.A N THR 9.A O no hydrogen 2.834 N/A GLU 14.A N ILE 10.A O no hydrogen 3.007 N/A ALA 15.A N GLY 11.A O no hydrogen 3.050 N/A ALA 16.A N GLU 12.A O no hydrogen 2.834 N/A LYS 17.A N GLU 14.A O no hydrogen 3.358 N/A LYS 17.A NZ GLY 48.A O no hydrogen 3.055 N/A LYS 17.A NZ LEU 49.A O no hydrogen 2.711 N/A LYS 17.A NZ ASP 51.A OD1 no hydrogen 3.207 N/A LYS 17.A NZ ASP 51.A OD2 no hydrogen 2.875 N/A ALA 18.A N ALA 15.A O no hydrogen 3.418 N/A ARG 20.A N LYS 17.A O no hydrogen 2.995 N/A ARG 20.A NH1 LYS 17.A O no hydrogen 3.361 N/A ARG 20.A NH2 LEU 130.A O no hydrogen 3.520 N/A THR 21.A N ASP 105.A OD1 no hydrogen 3.294 N/A THR 21.A OG1 SER 103.A O no hydrogen 3.570 N/A ILE 22.A N ASP 51.A OD2 no hydrogen 2.777 N/A SER 23.A N ILE 106.A O no hydrogen 2.792 N/A SER 23.A OG GLU 52.A OE2 no hydrogen 2.756 N/A VAL 24.A N GLU 52.A O no hydrogen 2.738 N/A VAL 25.A N VAL 108.A O no hydrogen 2.828 N/A LEU 26.A N ILE 54.A O no hydrogen 2.937 N/A ALA 28.A N LEU 56.A O no hydrogen 2.851 N/A ASN 30.A N SER 60.A OG no hydrogen 2.824 N/A GLU 31.A N THR 64.A OG1 no hydrogen 2.863 N/A GLU 32.A N ASP 62.A OD2 no hydrogen 3.241 N/A THR 34.A N GLU 31.A O no hydrogen 2.995 N/A THR 34.A OG1 SER 112.A O no hydrogen 2.622 N/A ILE 35.A N GLU 31.A O no hydrogen 2.900 N/A SER 37.A OG THR 34.A O no hydrogen 3.298 N/A VAL 38.A N THR 34.A O no hydrogen 3.110 N/A ILE 39.A N ILE 35.A O no hydrogen 2.967 N/A ASP 40.A N GLU 36.A O no hydrogen 2.772 N/A SER 41.A N SER 37.A O no hydrogen 3.057 N/A SER 41.A OG SER 37.A O no hydrogen 3.404 N/A SER 41.A OG VAL 38.A O no hydrogen 2.523 N/A ILE 42.A N ILE 39.A O no hydrogen 2.751 N/A SER 43.A N ILE 39.A O no hydrogen 2.739 N/A LEU 45.A N ILE 42.A O no hydrogen 2.890 N/A VAL 46.A N SER 43.A O no hydrogen 2.801 N/A ASP 47.A N VAL 50.A O no hydrogen 2.709 N/A GLY 48.A N LEU 45.A O no hydrogen 2.943 N/A VAL 50.A N LEU 45.A O no hydrogen 3.279 N/A ASP 51.A N ILE 22.A O no hydrogen 2.970 N/A GLU 52.A N ILE 22.A O no hydrogen 3.288 N/A ILE 54.A N VAL 24.A O no hydrogen 2.826 N/A VAL 55.A N ARG 74.A O no hydrogen 2.858 N/A LEU 56.A N LEU 26.A O no hydrogen 2.749 N/A ASP 57.A N VAL 76.A O no hydrogen 2.843 N/A SER 58.A N ALA 28.A O no hydrogen 2.921 N/A SER 60.A N ASP 57.A OD1 no hydrogen 2.982 N/A SER 60.A OG ALA 28.A O no hydrogen 3.532 N/A SER 60.A OG ASP 57.A OD1 no hydrogen 2.648 N/A THR 61.A N ASN 30.A OD1 no hydrogen 2.706 N/A ASP 63.A N GLU 32.A OE1 no hydrogen 2.925 N/A THR 64.A N ASP 62.A OD1 no hydrogen 3.079 N/A THR 64.A OG1 ASP 62.A OD1 no hydrogen 2.760 N/A THR 64.A OG1 ASP 62.A OD2 no hydrogen 3.244 N/A ARG 67.A N ASP 63.A O no hydrogen 3.060 N/A ARG 67.A NH1 GLU 32.A O no hydrogen 3.154 N/A ALA 68.A N THR 64.A O no hydrogen 2.973 N/A ILE 69.A N GLU 65.A O no hydrogen 2.821 N/A ALA 70.A N ILE 66.A O no hydrogen 2.935 N/A SER 71.A N ALA 68.A O no hydrogen 3.021 N/A SER 71.A OG ASP 40.A OD1 no hydrogen 3.498 N/A SER 71.A OG ARG 67.A O no hydrogen 3.323 N/A GLY 72.A N ILE 69.A O no hydrogen 3.088 N/A ALA 73.A N ALA 68.A O no hydrogen 3.100 N/A ARG 74.A NH1 ALA 101.A O no hydrogen 3.293 N/A VAL 76.A N VAL 55.A O no hydrogen 2.885 N/A SER 77.A N GLN 80.A OE1 no hydrogen 2.879 N/A SER 77.A OG GLN 80.A OE1 no hydrogen 3.059 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.695 N/A GLN 80.A N SER 77.A OG no hydrogen 3.045 N/A ALA 81.A N SER 77.A O no hydrogen 3.100 N/A ALA 81.A N ARG 78.A O no hydrogen 3.218 N/A LEU 82.A N GLU 79.A O no hydrogen 3.342 N/A GLU 84.A N GLU 84.A OE2 no hydrogen 2.475 N/A VAL 85.A N LEU 82.A O no hydrogen 3.444 N/A ARG 88.A N GLU 93.A OE2 no hydrogen 3.117 N/A LYS 91.A NZ ASP 111.A OD1 no hydrogen 2.985 N/A LYS 91.A NZ ASP 111.A OD2 no hydrogen 3.343 N/A LYS 91.A NZ GLU 191.A OE1 no hydrogen 3.274 N/A GLY 92.A N GLY 187.A O no hydrogen 2.915 N/A LEU 95.A N LYS 91.A O no hydrogen 2.987 N/A TRP 96.A N GLY 92.A O no hydrogen 2.898 N/A TRP 96.A NE1 PRO 263.A O no hydrogen 2.976 N/A ARG 97.A N GLU 93.A O no hydrogen 2.902 N/A ARG 97.A NE GLU 93.A OE2 no hydrogen 2.689 N/A ARG 97.A NH1 ARG 78.A O no hydrogen 3.201 N/A ARG 97.A NH1 LEU 82.A O no hydrogen 2.949 N/A ARG 97.A NH1 VAL 85.A O no hydrogen 3.417 N/A ARG 97.A NH2 VAL 85.A O no hydrogen 2.786 N/A ARG 97.A NH2 GLU 93.A OE2 no hydrogen 2.832 N/A SER 98.A N ALA 94.A O no hydrogen 2.932 N/A SER 98.A N LEU 95.A O no hydrogen 3.171 N/A SER 98.A OG LEU 95.A O no hydrogen 2.821 N/A LEU 99.A N TRP 96.A O no hydrogen 2.837 N/A ALA 100.A N ARG 97.A O no hydrogen 2.940 N/A ALA 101.A N SER 98.A O no hydrogen 3.017 N/A THR 102.A OG1 SER 98.A O no hydrogen 2.985 N/A SER 103.A N GLU 52.A OE2 no hydrogen 3.310 N/A GLY 104.A N SER 23.A OG no hydrogen 3.048 N/A ASP 105.A N THR 21.A OG1 no hydrogen 3.067 N/A ILE 106.A N THR 21.A O no hydrogen 3.117 N/A VAL 107.A N ALA 174.A O no hydrogen 2.979 N/A VAL 108.A N SER 23.A O no hydrogen 2.923 N/A PHE 109.A N TYR 172.A O no hydrogen 2.674 N/A ILE 110.A N VAL 25.A O no hydrogen 3.075 N/A ASP 111.A N GLU 171.A OE2 no hydrogen 2.880 N/A SER 112.A OG PRO 27.A O no hydrogen 3.037 N/A LEU 120.A N HIS 118.A ND1 no hydrogen 2.859 N/A PHE 121.A N HIS 118.A O no hydrogen 3.125 N/A TRP 124.A N LEU 120.A O no hydrogen 2.901 N/A LEU 125.A N PHE 121.A O no hydrogen 2.886 N/A VAL 126.A N VAL 122.A O no hydrogen 2.947 N/A GLY 127.A N TRP 124.A O no hydrogen 3.405 N/A LEU 130.A N VAL 126.A O no hydrogen 3.172 N/A LEU 130.A N GLY 127.A O no hydrogen 3.075 N/A THR 131.A N GLY 127.A O no hydrogen 3.179 N/A THR 131.A OG1 GLY 127.A O no hydrogen 3.202 N/A GLY 132.A N PRO 128.A O no hydrogen 2.786 N/A GLN 136.A N ALA 206.A O no hydrogen 2.668 N/A LEU 137.A N ALA 206.A O no hydrogen 2.895 N/A VAL 138.A N ALA 173.A O no hydrogen 2.836 N/A LYS 139.A N ALA 208.A O no hydrogen 2.860 N/A LYS 139.A NZ PRO 167.A O no hydrogen 3.462 N/A LYS 139.A NZ SER 169.A O no hydrogen 2.706 N/A SER 140.A OG TYR 142.A OH no hydrogen 3.320 N/A SER 140.A OG SER 169.A OG no hydrogen 3.204 N/A SER 140.A OG GLU 171.A O no hydrogen 2.719 N/A PHE 141.A N VAL 210.A O no hydrogen 3.023 N/A TYR 142.A OH GLU 171.A OE1 no hydrogen 2.875 N/A LEU 148.A N ARG 144.A O no hydrogen 3.192 N/A VAL 149.A N VAL 145.A O no hydrogen 2.729 N/A ARG 151.A N THR 146.A O no hydrogen 2.969 N/A ARG 151.A NE VAL 164.A O no hydrogen 2.885 N/A ARG 151.A NH1 GLU 147.A OE1 no hydrogen 3.321 N/A LEU 153.A N VAL 149.A O no hydrogen 2.962 N/A LEU 154.A N ALA 150.A O no hydrogen 3.118 N/A ALA 155.A N ARG 151.A O no hydrogen 3.162 N/A ALA 156.A N PRO 152.A O no hydrogen 3.090 N/A LEU 157.A N LEU 153.A O no hydrogen 2.883 N/A ARG 158.A N LEU 154.A O no hydrogen 2.812 N/A ARG 158.A NE ASP 200.A OD1 no hydrogen 2.822 N/A ARG 158.A NH1 LEU 157.A O no hydrogen 3.167 N/A ARG 158.A NH2 ASP 200.A OD2 no hydrogen 2.680 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.750 N/A LEU 161.A N ARG 158.A O no hydrogen 2.822 N/A GLY 162.A N PRO 159.A O no hydrogen 2.723 N/A VAL 164.A N LEU 161.A O no hydrogen 3.003 N/A LEU 165.A N GLN 209.A OE1 no hydrogen 2.818 N/A SER 169.A N GLN 166.A O no hydrogen 3.309 N/A SER 169.A OG SER 140.A O no hydrogen 3.270 N/A SER 169.A OG SER 140.A OG no hydrogen 3.204 N/A SER 169.A OG GLN 166.A O no hydrogen 3.538 N/A SER 169.A OG GLU 171.A O no hydrogen 3.405 N/A TYR 172.A N PHE 109.A O no hydrogen 3.059 N/A TYR 172.A OH GLU 191.A OE1 no hydrogen 3.154 N/A ALA 173.A N VAL 138.A O no hydrogen 3.105 N/A ALA 174.A N VAL 107.A O no hydrogen 3.059 N/A SER 175.A N GLN 136.A O no hydrogen 3.129 N/A SER 175.A OG GLN 136.A OE1 no hydrogen 3.108 N/A ARG 176.A N ASP 105.A O no hydrogen 2.826 N/A ARG 176.A NH1 GLY 104.A O no hydrogen 2.755 N/A ARG 176.A NH2 THR 102.A OG1 no hydrogen 3.163 N/A LEU 178.A N SER 175.A OG no hydrogen 3.160 N/A LEU 179.A N SER 175.A O no hydrogen 3.234 N/A THR 180.A N ARG 176.A O no hydrogen 2.977 N/A THR 180.A OG1 ARG 176.A O no hydrogen 2.962 N/A THR 180.A OG1 GLU 177.A O no hydrogen 3.176 N/A SER 181.A N GLU 177.A O no hydrogen 3.276 N/A SER 181.A N LEU 178.A O no hydrogen 3.191 N/A SER 181.A OG GLU 177.A O no hydrogen 2.829 N/A LEU 182.A N LEU 179.A O no hydrogen 3.460 N/A PHE 184.A N ARG 262.A O no hydrogen 3.064 N/A GLY 189.A N PRO 186.A O no hydrogen 2.982 N/A GLY 193.A N GLY 189.A O no hydrogen 3.071 N/A LEU 194.A N VAL 190.A O no hydrogen 3.129 N/A LEU 195.A N GLU 191.A O no hydrogen 3.183 N/A ILE 196.A N ILE 192.A O no hydrogen 3.064 N/A ASP 197.A N GLY 193.A O no hydrogen 2.749 N/A THR 198.A N LEU 194.A O no hydrogen 2.985 N/A THR 198.A OG1 LEU 194.A O no hydrogen 2.838 N/A PHE 199.A N LEU 195.A O no hydrogen 2.979 N/A ASP 200.A N ILE 196.A O no hydrogen 2.856 N/A ARG 201.A N ASP 197.A O no hydrogen 3.267 N/A ARG 201.A N THR 198.A O no hydrogen 3.158 N/A LEU 202.A N THR 198.A O no hydrogen 2.710 N/A GLY 203.A N PHE 199.A O no hydrogen 2.760 N/A ALA 206.A N GLY 203.A O no hydrogen 3.202 N/A ALA 208.A N LEU 137.A O no hydrogen 2.611 N/A GLN 209.A N THR 1.A O no hydrogen 3.174 N/A GLN 209.A NE2 CYS 163.A O no hydrogen 3.610 N/A VAL 210.A N LYS 139.A O no hydrogen 3.080 N/A ASN 211.A N TRP 3.A O no hydrogen 2.950 N/A ASN 211.A ND2 HIS 4.A O no hydrogen 3.588 N/A LEU 212.A N PHE 141.A O no hydrogen 2.963 N/A GLY 213.A N ASN 211.A OD1 no hydrogen 2.949 N/A ARG 215.A NE VAL 214.A O no hydrogen 2.893 N/A ARG 215.A NH1 ILE 115.A O no hydrogen 3.349 N/A ARG 215.A NH2 ILE 115.A O no hydrogen 2.890 N/A ARG 215.A NH2 ASN 116.A O no hydrogen 3.527 N/A ARG 217.A NH1 TYR 188.A OH no hydrogen 3.430 N/A ARG 217.A NH2 TYR 188.A OH no hydrogen 3.373 N/A GLY 223.A N GLU 221.A O no hydrogen 2.358 N/A SER 226.A N LEU 222.A O no hydrogen 2.513 N/A ARG 227.A N GLY 223.A O no hydrogen 2.940 N/A ARG 227.A NE VAL 244.A O no hydrogen 2.818 N/A ARG 227.A NH1 ARG 227.A O no hydrogen 3.303 N/A ARG 227.A NH1 ASP 241.A OD2 no hydrogen 2.872 N/A ARG 227.A NH2 ASP 241.A OD1 no hydrogen 3.162 N/A ARG 227.A NH2 ASP 241.A OD2 no hydrogen 3.563 N/A ARG 227.A NH2 VAL 244.A O no hydrogen 2.679 N/A GLN 228.A N ALA 224.A O no hydrogen 3.271 N/A VAL 229.A N MET 225.A O no hydrogen 2.957 N/A ILE 230.A N SER 226.A O no hydrogen 2.737 N/A ALA 231.A N ARG 227.A O no hydrogen 2.824 N/A THR 232.A N GLN 228.A O no hydrogen 2.831 N/A THR 232.A OG1 GLN 228.A O no hydrogen 3.457 N/A THR 232.A OG1 GLN 228.A OE1 no hydrogen 3.471 N/A LEU 233.A N VAL 229.A O no hydrogen 3.006 N/A LEU 234.A N ILE 230.A O no hydrogen 2.792 N/A SER 235.A N ALA 231.A O no hydrogen 3.100 N/A SER 235.A OG ALA 231.A O no hydrogen 2.786 N/A ARG 236.A N THR 232.A O no hydrogen 2.987 N/A ARG 236.A NE ASP 197.A OD1 no hydrogen 2.918 N/A ARG 236.A NE ASP 197.A OD2 no hydrogen 2.734 N/A ARG 236.A NH2 ASP 197.A OD2 no hydrogen 3.176 N/A CYS 237.A N LEU 234.A O no hydrogen 3.113 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.287 N/A GLY 238.A N SER 235.A O no hydrogen 3.234 N/A ILE 239.A N LEU 234.A O no hydrogen 2.965 N/A GLY 243.A N ASP 241.A OD1 no hydrogen 2.733 N/A VAL 244.A N SER 242.A OG no hydrogen 3.151 N/A GLN 248.A N HIS 253.A O no hydrogen 2.799 N/A GLN 248.A NE2 ASP 220.A O no hydrogen 2.794 N/A ARG 252.A N THR 251.A OG1 no hydrogen 2.655 N/A HIS 253.A N GLN 248.A O no hydrogen 3.172 N/A TRP 255.A N LEU 246.A O no hydrogen 3.145 N/A VAL 260.A N SER 258.A OG no hydrogen 3.100 N/A ARG 262.A N PHE 184.A O no hydrogen 2.928 N/A LYS 266.A N THR 180.A O no hydrogen 3.289 N/A LYS 266.A NZ GLU 177.A O no hydrogen 3.552 N/A LYS 266.A NZ GLU 177.A OE1 no hydrogen 3.080 N/A LYS 266.A NZ THR 180.A OG1 no hydrogen 3.109 N/A LYS 266.A NZ SER 181.A OG no hydrogen 3.389 N/A MET 268.A N MET 265.A O no hydrogen 2.918 N/A ARG 269.A N LYS 266.A O no hydrogen 2.867 N/A