Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wwl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N GLU 3.A O no hydrogen 2.944 N/A SER 8.A N ASP 5.A O no hydrogen 3.304 N/A SER 8.A OG ASP 5.A O no hydrogen 2.946 N/A CYS 9.A N ASP 31.A O no hydrogen 3.074 N/A SER 10.A OG GLU 33.A OE1 no hydrogen 3.077 N/A CYS 11.A N CYS 9.A O no hydrogen 2.536 N/A ASN 12.A N PRO 1.A O no hydrogen 2.669 N/A SER 14.A N ASN 12.A OD1 no hydrogen 2.640 N/A SER 14.A OG ASN 12.A OD1 no hydrogen 2.754 N/A SER 14.A OG ASP 15.A OD1 no hydrogen 3.524 N/A SER 22.A OG ASP 19.A O no hydrogen 2.841 N/A ALA 23.A N TRP 20.A O no hydrogen 2.647 N/A PHE 24.A N SER 21.A O no hydrogen 2.615 N/A ASN 25.A N SER 22.A O no hydrogen 2.495 N/A ASN 25.A ND2 SER 22.A O no hydrogen 2.782 N/A CYS 26.A SG CYS 9.A O no hydrogen 3.683 N/A ASP 31.A N GLU 7.A O no hydrogen 3.121 N/A VAL 32.A N ARG 68.A O no hydrogen 3.109 N/A GLU 33.A N CYS 9.A O no hydrogen 3.465 N/A LEU 34.A N THR 70.A O no hydrogen 2.989 N/A TYR 35.A N CYS 11.A O no hydrogen 3.460 N/A GLY 36.A N ARG 72.A O no hydrogen 2.735 N/A GLY 38.A N ALA 73.A O no hydrogen 2.706 N/A ARG 39.A N GLY 36.A O no hydrogen 2.760 N/A ARG 39.A NE PHE 13.A O no hydrogen 2.812 N/A ARG 39.A NH1 TYR 43.A OH no hydrogen 2.645 N/A ARG 39.A NH2 PHE 13.A O no hydrogen 3.020 N/A LEU 41.A N ARG 75.A O no hydrogen 3.160 N/A LEU 44.A N LEU 41.A O no hydrogen 3.302 N/A VAL 48.A N LEU 44.A O no hydrogen 2.827 N/A ALA 52.A N ASP 49.A O no hydrogen 3.137 N/A THR 58.A N LEU 54.A O no hydrogen 2.796 N/A THR 58.A OG1 LEU 54.A O no hydrogen 2.290 N/A ILE 61.A N PHE 57.A O no hydrogen 3.084 N/A LYS 62.A N THR 58.A O no hydrogen 2.987 N/A SER 63.A N ILE 60.A O no hydrogen 2.717 N/A SER 63.A OG ASP 59.A O no hydrogen 2.763 N/A LYS 67.A N ALA 30.A O no hydrogen 2.799 N/A ARG 68.A N ALA 30.A O no hydrogen 2.978 N/A ARG 68.A NE ASP 31.A OD1 no hydrogen 3.325 N/A ARG 68.A NE ASP 31.A OD2 no hydrogen 2.913 N/A ARG 68.A NH2 ASP 31.A OD1 no hydrogen 2.599 N/A LEU 69.A N GLU 95.A O no hydrogen 2.903 N/A THR 70.A N VAL 32.A O no hydrogen 2.940 N/A VAL 71.A N THR 97.A O no hydrogen 2.836 N/A ARG 72.A N LEU 34.A O no hydrogen 2.818 N/A ARG 72.A NH2 GLU 99.A OE1 no hydrogen 3.007 N/A ARG 72.A NH2 GLU 99.A OE2 no hydrogen 3.138 N/A ALA 73.A N GLU 99.A O no hydrogen 3.038 N/A ARG 75.A N ARG 39.A O no hydrogen 3.183 N/A SER 78.A N THR 104.A O no hydrogen 2.626 N/A ILE 80.A N PRO 77.A O no hydrogen 2.856 N/A LEU 81.A N PRO 77.A O no hydrogen 3.168 N/A PHE 82.A N SER 78.A O no hydrogen 3.117 N/A GLY 83.A N ARG 79.A O no hydrogen 2.915 N/A ALA 84.A N ILE 80.A O no hydrogen 2.950 N/A LEU 85.A N LEU 81.A O no hydrogen 3.005 N/A ARG 86.A N PHE 82.A O no hydrogen 2.855 N/A ARG 86.A NH2 THR 50.A O no hydrogen 2.500 N/A ARG 86.A NH2 ALA 52.A O no hydrogen 3.027 N/A VAL 87.A N GLY 83.A O no hydrogen 2.941 N/A LEU 88.A N ALA 84.A O no hydrogen 2.783 N/A GLY 89.A N ARG 86.A O no hydrogen 2.926 N/A ILE 90.A N VAL 87.A O no hydrogen 3.406 N/A SER 91.A N LEU 88.A O no hydrogen 2.680 N/A SER 91.A OG LEU 88.A O no hydrogen 2.619 N/A LEU 93.A N SER 91.A OG no hydrogen 3.354 N/A GLN 94.A N LYS 67.A O no hydrogen 2.964 N/A GLU 95.A N LYS 67.A O no hydrogen 2.958 N/A LEU 96.A N ILE 121.A O no hydrogen 2.906 N/A THR 97.A N LEU 69.A O no hydrogen 2.774 N/A LEU 98.A N ASN 123.A O no hydrogen 2.926 N/A GLU 99.A N VAL 71.A O no hydrogen 2.907 N/A ASN 100.A N ARG 125.A O no hydrogen 2.834 N/A GLU 102.A N ALA 74.A O no hydrogen 3.213 N/A VAL 103.A N SER 128.A O no hydrogen 2.900 N/A THR 104.A N ILE 76.A O no hydrogen 3.027 N/A THR 104.A OG1 GLU 42.A OE2 no hydrogen 3.315 N/A LEU 119.A N PRO 117.A O no hydrogen 2.727 N/A ASN 120.A N GLN 94.A O no hydrogen 2.622 N/A ILE 121.A N GLN 94.A O no hydrogen 3.425 N/A LEU 122.A N VAL 149.A O no hydrogen 2.923 N/A ASN 123.A N LEU 96.A O no hydrogen 2.905 N/A LEU 124.A N SER 151.A O no hydrogen 2.719 N/A ARG 125.A N LEU 98.A O no hydrogen 3.123 N/A ARG 125.A NH2 ASP 178.A OD2 no hydrogen 3.484 N/A ASN 126.A N ALA 153.A O no hydrogen 3.129 N/A ASN 126.A ND2 ASN 100.A OD1 no hydrogen 2.579 N/A SER 128.A N LEU 101.A O no hydrogen 2.906 N/A ARG 132.A NH1 ASP 133.A OD2 no hydrogen 3.418 N/A ALA 134.A N THR 131.A OG1 no hydrogen 3.285 N/A TRP 135.A NE1 SER 157.A O no hydrogen 3.010 N/A GLU 138.A N ALA 134.A O no hydrogen 2.982 N/A LEU 139.A N TRP 135.A O no hydrogen 2.900 N/A GLN 140.A N LEU 136.A O no hydrogen 3.060 N/A GLN 140.A NE2 ARG 166.A O no hydrogen 3.289 N/A GLN 141.A N GLU 138.A O no hydrogen 3.039 N/A TRP 142.A N LEU 139.A O no hydrogen 3.134 N/A LEU 143.A N GLN 140.A O no hydrogen 3.016 N/A LYS 144.A NZ ALA 114.A O no hydrogen 2.790 N/A LYS 144.A NZ GLY 116.A O no hydrogen 2.836 N/A LYS 148.A N ASN 120.A O no hydrogen 2.828 N/A VAL 149.A N ASN 120.A O no hydrogen 2.742 N/A LEU 150.A N THR 173.A O no hydrogen 2.825 N/A SER 151.A N LEU 122.A O no hydrogen 2.910 N/A ILE 152.A N ASP 175.A O no hydrogen 2.730 N/A ALA 153.A N LEU 124.A O no hydrogen 2.673 N/A GLN 154.A N ASP 178.A O no hydrogen 2.848 N/A ALA 155.A N ASN 179.A OD1 no hydrogen 3.126 N/A SER 157.A OG ARG 132.A O no hydrogen 2.997 N/A SER 157.A OG ASP 133.A OD1 no hydrogen 2.849 N/A PHE 160.A N LEU 158.A O no hydrogen 2.607 N/A SER 161.A N ASP 133.A O no hydrogen 3.300 N/A CYS 162.A SG PHE 160.A O no hydrogen 4.042 N/A GLN 164.A N SER 161.A O no hydrogen 3.322 N/A VAL 165.A N CYS 162.A O no hydrogen 3.231 N/A ARG 166.A N GLN 140.A OE1 no hydrogen 2.746 N/A PHE 168.A N LYS 195.A O no hydrogen 2.870 N/A SER 172.A N LYS 148.A O no hydrogen 2.794 N/A SER 172.A OG LYS 148.A O no hydrogen 3.545 N/A THR 173.A N LYS 148.A O no hydrogen 2.971 N/A LEU 174.A N VAL 201.A O no hydrogen 3.028 N/A ASP 175.A N LEU 150.A O no hydrogen 2.791 N/A LEU 176.A N ALA 203.A O no hydrogen 2.848 N/A SER 177.A N ASP 175.A OD1 no hydrogen 2.869 N/A SER 177.A OG ASP 175.A OD1 no hydrogen 2.277 N/A ASP 178.A N ARG 205.A O no hydrogen 2.611 N/A ASN 179.A N ASN 206.A O no hydrogen 2.884 N/A ASN 179.A ND2 ILE 152.A O no hydrogen 3.083 N/A ASN 179.A ND2 LEU 176.A O no hydrogen 2.512 N/A LEU 182.A N ASN 179.A O no hydrogen 2.845 N/A GLY 183.A N ALA 207.A O no hydrogen 2.981 N/A LEU 187.A N GLY 183.A O no hydrogen 2.657 N/A ILE 188.A N ARG 185.A O no hydrogen 3.040 N/A SER 189.A N GLY 186.A O no hydrogen 3.124 N/A ALA 190.A N LEU 187.A O no hydrogen 3.211 N/A LEU 191.A N LEU 187.A O no hydrogen 3.147 N/A CYS 192.A N ALA 190.A O no hydrogen 2.899 N/A LYS 195.A N CYS 192.A O no hydrogen 3.275 N/A LYS 195.A NZ VAL 165.A O no hydrogen 2.503 N/A THR 198.A OG1 PRO 169.A O no hydrogen 2.928 N/A THR 198.A OG1 LEU 171.A O no hydrogen 3.318 N/A LEU 199.A N PHE 196.A O no hydrogen 3.311 N/A GLN 200.A N SER 172.A O no hydrogen 2.993 N/A GLN 200.A NE2 THR 198.A O no hydrogen 2.709 N/A VAL 201.A N SER 172.A O no hydrogen 3.061 N/A LEU 202.A N GLY 228.A O no hydrogen 3.027 N/A ALA 203.A N LEU 174.A O no hydrogen 2.954 N/A LEU 204.A N ASP 230.A O no hydrogen 2.897 N/A ARG 205.A N SER 177.A OG no hydrogen 3.225 N/A ARG 205.A NH1 ASP 230.A OD1 no hydrogen 3.097 N/A ARG 205.A NH2 ASP 175.A OD2 no hydrogen 3.031 N/A GLU 210.A N GLU 184.A OE2 no hydrogen 2.532 N/A THR 211.A N GLU 184.A OE2 no hydrogen 2.854 N/A THR 211.A OG1 SER 213.A OG no hydrogen 3.397 N/A SER 213.A OG THR 211.A OG1 no hydrogen 3.397 N/A SER 213.A OG ALA 240.A O no hydrogen 3.535 N/A SER 213.A OG ALA 242.A O no hydrogen 3.196 N/A GLY 214.A N THR 211.A OG1 no hydrogen 2.856 N/A VAL 215.A N THR 211.A O no hydrogen 3.103 N/A CYS 216.A N PRO 212.A O no hydrogen 2.778 N/A SER 217.A N SER 213.A O no hydrogen 2.683 N/A ALA 218.A N GLY 214.A O no hydrogen 3.082 N/A LEU 219.A N VAL 215.A O no hydrogen 2.896 N/A ALA 220.A N CYS 216.A O no hydrogen 2.911 N/A ALA 221.A N SER 217.A O no hydrogen 2.973 N/A ALA 222.A N ALA 218.A O no hydrogen 2.877 N/A ARG 223.A N ALA 220.A O no hydrogen 2.880 N/A VAL 224.A N LEU 219.A O no hydrogen 3.068 N/A GLN 225.A NE2 LEU 226.A O no hydrogen 3.319 N/A GLN 227.A N GLN 200.A O no hydrogen 2.724 N/A GLY 228.A N GLN 200.A O no hydrogen 2.739 N/A LEU 229.A N SER 253.A O no hydrogen 2.920 N/A ASP 230.A N LEU 202.A O no hydrogen 3.275 N/A LEU 231.A N ASN 255.A O no hydrogen 2.898 N/A SER 232.A N ASP 230.A OD2 no hydrogen 2.923 N/A SER 232.A OG ASP 230.A OD1 no hydrogen 3.411 N/A SER 232.A OG ASP 230.A OD2 no hydrogen 2.651 N/A HIS 233.A N SER 257.A O no hydrogen 3.151 N/A ASN 234.A ND2 LEU 204.A O no hydrogen 3.674 N/A LEU 236.A N THR 259.A O no hydrogen 3.099 N/A ARG 237.A N GLU 210.A O no hydrogen 2.883 N/A ALA 242.A N SER 213.A OG no hydrogen 2.842 N/A CYS 245.A SG ASP 246.A O no hydrogen 3.716 N/A TRP 247.A NE1 GLY 267.A O no hydrogen 2.813 N/A SER 249.A OG GLN 225.A OE1 no hydrogen 3.230 N/A LEU 251.A N PRO 248.A O no hydrogen 3.181 N/A ASN 252.A N GLN 227.A O no hydrogen 2.929 N/A SER 253.A N GLN 227.A O no hydrogen 3.226 N/A LEU 254.A N VAL 274.A O no hydrogen 3.024 N/A ASN 255.A N LEU 229.A O no hydrogen 2.948 N/A LEU 256.A N ASP 276.A O no hydrogen 2.764 N/A SER 257.A N ASN 255.A OD1 no hydrogen 2.936 N/A SER 257.A OG ASN 255.A OD1 no hydrogen 2.889 N/A PHE 258.A N SER 278.A O no hydrogen 3.088 N/A THR 259.A N ASN 280.A OD1 no hydrogen 2.714 N/A THR 259.A OG1 LEU 256.A O no hydrogen 2.742 N/A THR 259.A OG1 ASN 280.A OD1 no hydrogen 3.307 N/A LYS 262.A N ASP 238.A OD1 no hydrogen 3.469 N/A LEU 272.A N GLN 293.A O no hydrogen 2.830 N/A SER 273.A N ASN 252.A O no hydrogen 2.729 N/A SER 273.A OG ASN 252.A O no hydrogen 3.453 N/A VAL 274.A N ASN 252.A O no hydrogen 3.070 N/A LEU 275.A N ASN 296.A O no hydrogen 2.979 N/A ASP 276.A N LEU 254.A O no hydrogen 2.986 N/A LEU 277.A N SER 298.A O no hydrogen 2.842 N/A SER 278.A N ASP 276.A OD1 no hydrogen 2.998 N/A SER 278.A OG ASP 276.A OD1 no hydrogen 2.643 N/A TYR 279.A N LYS 300.A O no hydrogen 2.819 N/A ASN 280.A ND2 LEU 256.A O no hydrogen 2.809 N/A ASN 280.A ND2 LEU 277.A O no hydrogen 3.035 N/A ARG 281.A N LEU 261.A O no hydrogen 2.621 N/A SER 287.A N GLU 290.A OE2 no hydrogen 2.796 N/A SER 287.A OG GLU 290.A OE2 no hydrogen 3.243 N/A LEU 291.A N PRO 288.A O no hydrogen 3.455 N/A GLN 293.A N ALA 270.A O no hydrogen 3.056 N/A GLY 295.A N LEU 272.A O no hydrogen 3.224 N/A ASN 296.A N SER 273.A O no hydrogen 2.706 N/A SER 298.A N LEU 275.A O no hydrogen 3.263 N/A ASN 302.A N LEU 299.A O no hydrogen 3.285 N/A PHE 304.A N LEU 282.A O no hydrogen 3.131 N/A LEU 305.A N ASN 302.A O no hydrogen 3.036 N/A