Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wce_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N ASP 1.A OD1 no hydrogen 2.697 N/A PHE 6.A N GLU 2.A O no hydrogen 3.030 N/A PHE 6.A N ASP 3.A O no hydrogen 2.916 N/A CYS 7.A N ASP 3.A O no hydrogen 3.055 N/A CYS 7.A SG ASP 3.A O no hydrogen 3.538 N/A TYR 8.A N LEU 4.A O no hydrogen 2.878 N/A TYR 8.A OH ASP 31.A OD1 no hydrogen 2.938 N/A ASP 9.A N ARG 5.A O no hydrogen 3.106 N/A ILE 10.A N PHE 6.A O no hydrogen 2.627 N/A LEU 11.A N CYS 7.A O no hydrogen 2.908 N/A GLN 12.A N TYR 8.A O no hydrogen 3.475 N/A ALA 13.A N ILE 10.A O no hydrogen 3.244 N/A VAL 14.A N ILE 10.A O no hydrogen 2.924 N/A SER 15.A N LEU 11.A O no hydrogen 2.798 N/A ALA 19.A N SER 15.A O no hydrogen 3.054 N/A VAL 20.A N SER 17.A O no hydrogen 2.764 N/A VAL 21.A N SER 17.A O no hydrogen 3.046 N/A ILE 22.A N PHE 18.A O no hydrogen 2.813 N/A MET 23.A N VAL 20.A O no hydrogen 3.210 N/A GLU 24.A N VAL 21.A O no hydrogen 2.794 N/A LEU 25.A N ILE 22.A O no hydrogen 3.162 N/A ARG 30.A N ASP 26.A O no hydrogen 2.674 N/A ASP 31.A N GLU 27.A O no hydrogen 3.034 N/A VAL 33.A N MET 29.A O no hydrogen 3.087 N/A CYS 34.A N ARG 30.A O no hydrogen 2.925 N/A ILE 35.A N ASP 31.A O no hydrogen 3.410 N/A PHE 36.A N ALA 32.A O no hydrogen 2.829 N/A TYR 37.A N VAL 33.A O no hydrogen 2.764 N/A LEU 38.A N CYS 34.A O no hydrogen 3.138 N/A VAL 39.A N ILE 35.A O no hydrogen 3.001 N/A LEU 40.A N PHE 36.A O no hydrogen 3.277 N/A ARG 41.A N TYR 37.A O no hydrogen 2.676 N/A ARG 41.A NH2 GLU 83.A OE1 no hydrogen 2.491 N/A ALA 42.A N LEU 38.A O no hydrogen 2.774 N/A LEU 43.A N VAL 39.A O no hydrogen 3.028 N/A ASP 44.A N LEU 40.A O no hydrogen 2.978 N/A THR 45.A N ARG 41.A O no hydrogen 2.831 N/A THR 45.A OG1 ARG 41.A O no hydrogen 2.985 N/A VAL 46.A N LEU 43.A O no hydrogen 3.257 N/A GLU 47.A N LEU 43.A O no hydrogen 3.411 N/A ASP 48.A N ASP 44.A O no hydrogen 2.891 N/A SER 51.A N ASP 49.A OD1 no hydrogen 2.924 N/A LYS 57.A NZ GLU 47.A O no hydrogen 2.794 N/A LYS 57.A NZ ASP 49.A O no hydrogen 2.804 N/A LEU 58.A N VAL 54.A O no hydrogen 2.952 N/A ARG 59.A N PHE 56.A O no hydrogen 3.334 N/A GLU 60.A N PHE 56.A O no hydrogen 2.947 N/A LEU 61.A N LYS 57.A O no hydrogen 2.820 N/A LYS 63.A N GLU 60.A O no hydrogen 3.133 N/A LYS 63.A NZ GLU 60.A OE2 no hydrogen 3.535 N/A PHE 64.A N LEU 61.A O no hydrogen 2.776 N/A HIS 67.A N PHE 64.A O no hydrogen 2.958 N/A LEU 68.A N HIS 65.A O no hydrogen 2.786 N/A HIS 69.A N GLU 66.A O no hydrogen 3.385 N/A ASP 70.A N HIS 67.A O no hydrogen 2.912 N/A THR 72.A OG1 ASP 70.A OD1 no hydrogen 2.709 N/A THR 72.A OG1 ASP 70.A OD2 no hydrogen 2.921 N/A TRP 73.A N ASP 70.A O no hydrogen 3.037 N/A MET 75.A N LEU 87.A O no hydrogen 3.206 N/A SER 76.A OG SER 76.A O no hydrogen 2.559 N/A SER 76.A OG GLU 88.A OE2 no hydrogen 3.100 N/A GLY 79.A N ASP 49.A OD2 no hydrogen 3.445 N/A ARG 84.A N VAL 80.A O no hydrogen 3.320 N/A GLU 85.A N GLY 81.A O no hydrogen 2.948 N/A LEU 86.A N ARG 82.A O no hydrogen 2.763 N/A LEU 87.A N GLU 83.A O no hydrogen 3.299 N/A LEU 87.A N ARG 84.A O no hydrogen 3.244 N/A GLU 88.A N ARG 84.A O no hydrogen 3.172 N/A ARG 89.A N GLU 85.A O no hydrogen 3.035 N/A TYR 90.A N LEU 87.A O no hydrogen 2.954 N/A THR 91.A OG1 ARG 89.A O no hydrogen 3.547 N/A HIS 92.A N ARG 89.A O no hydrogen 3.226 N/A THR 94.A N TYR 90.A O no hydrogen 3.181 N/A THR 94.A OG1 THR 91.A O no hydrogen 2.600 N/A ARG 95.A N THR 91.A O no hydrogen 2.684 N/A ALA 96.A N HIS 92.A O no hydrogen 3.026 N/A TYR 97.A N VAL 93.A O no hydrogen 2.834 N/A TYR 97.A OH GLN 105.A O no hydrogen 2.529 N/A SER 98.A N THR 94.A O no hydrogen 2.952 N/A SER 98.A OG ARG 95.A O no hydrogen 2.548 N/A ARG 99.A N ALA 96.A O no hydrogen 2.860 N/A LEU 100.A N TYR 97.A O no hydrogen 2.977 N/A LYS 102.A NZ ASP 106.A OD2 no hydrogen 3.208 N/A GLN 105.A N GLY 101.A O no hydrogen 2.943 N/A GLN 105.A NE2 LEU 100.A O no hydrogen 2.467 N/A ASP 106.A N LYS 102.A O no hydrogen 2.902 N/A VAL 107.A N ALA 103.A O no hydrogen 3.299 N/A ILE 108.A N TYR 104.A O no hydrogen 2.919 N/A SER 109.A N GLN 105.A O no hydrogen 2.970 N/A SER 109.A OG TYR 97.A OH no hydrogen 2.505 N/A SER 109.A OG GLN 105.A O no hydrogen 3.022 N/A GLY 110.A N ASP 106.A O no hydrogen 2.776 N/A ILE 111.A N VAL 107.A O no hydrogen 3.206 N/A CYS 112.A N ILE 108.A O no hydrogen 3.173 N/A GLU 113.A N SER 109.A O no hydrogen 2.900 N/A ARG 114.A N GLY 110.A O no hydrogen 3.024 N/A MET 115.A N ILE 111.A O no hydrogen 2.782 N/A ALA 116.A N CYS 112.A O no hydrogen 2.817 N/A ASN 117.A N GLU 113.A O no hydrogen 2.872 N/A GLY 118.A N ARG 114.A O no hydrogen 3.208 N/A MET 119.A N MET 115.A O no hydrogen 2.854 N/A CYS 120.A N ALA 116.A O no hydrogen 3.195 N/A CYS 120.A SG ALA 116.A O no hydrogen 3.298 N/A ASP 121.A N ASN 117.A O no hydrogen 3.054 N/A PHE 122.A N GLY 118.A O no hydrogen 3.288 N/A LEU 123.A N CYS 120.A O no hydrogen 3.031 N/A THR 124.A OG1 ASP 121.A O no hydrogen 3.397 N/A ARG 125.A NE ASP 121.A OD2 no hydrogen 2.920 N/A ARG 125.A NH2 ASP 121.A OD1 no hydrogen 2.969 N/A GLU 128.A N ASP 132.A OD1 no hydrogen 3.077 N/A THR 129.A N ASP 132.A OD1 no hydrogen 3.073 N/A LYS 130.A N GLU 201.A OE1 no hydrogen 2.812 N/A ASP 132.A N THR 129.A OG1 no hydrogen 2.900 N/A TYR 133.A N THR 129.A O no hydrogen 3.105 N/A ASP 134.A N LYS 130.A O no hydrogen 2.745 N/A LEU 135.A N ALA 131.A O no hydrogen 2.751 N/A TYR 136.A N ASP 132.A O no hydrogen 2.797 N/A CYS 137.A N TYR 133.A O no hydrogen 3.052 N/A CYS 137.A SG TYR 133.A O no hydrogen 3.371 N/A HIS 138.A N ASP 134.A O no hydrogen 2.939 N/A HIS 138.A ND1 ASN 170.A OD1 no hydrogen 2.612 N/A TYR 139.A N LEU 135.A O no hydrogen 3.100 N/A VAL 140.A N TYR 136.A O no hydrogen 3.071 N/A ALA 141.A N CYS 137.A O no hydrogen 2.570 N/A GLY 142.A N CYS 137.A O no hydrogen 2.921 N/A LEU 143.A N HIS 138.A O no hydrogen 2.776 N/A GLY 145.A N ALA 141.A O no hydrogen 3.142 N/A HIS 146.A N GLY 142.A O no hydrogen 3.063 N/A GLY 147.A N LEU 143.A O no hydrogen 2.741 N/A LEU 148.A N VAL 144.A O no hydrogen 2.897 N/A THR 149.A N GLY 145.A O no hydrogen 3.008 N/A THR 149.A OG1 GLY 145.A O no hydrogen 2.809 N/A THR 149.A OG1 TYR 243.A OH no hydrogen 2.717 N/A LEU 150.A N HIS 146.A O no hydrogen 2.860 N/A LEU 151.A N GLY 147.A O no hydrogen 2.833 N/A TYR 152.A N LEU 148.A O no hydrogen 2.792 N/A TYR 152.A OH SER 256.A OG no hydrogen 3.269 N/A VAL 153.A N THR 149.A O no hydrogen 3.041 N/A SER 154.A N LEU 150.A O no hydrogen 2.820 N/A SER 155.A N LEU 151.A O no hydrogen 2.843 N/A SER 155.A OG LEU 151.A O no hydrogen 3.010 N/A SER 155.A OG TYR 152.A O no hydrogen 2.558 N/A GLY 156.A N TYR 152.A O no hydrogen 3.266 N/A GLY 156.A N VAL 153.A O no hydrogen 3.037 N/A GLU 158.A N TYR 152.A O no hydrogen 3.376 N/A ARG 161.A N ASP 159.A OD2 no hydrogen 3.055 N/A LEU 162.A N ASP 159.A O no hydrogen 3.180 N/A ALA 163.A N VAL 160.A O no hydrogen 3.226 N/A ASP 164.A N ARG 161.A O no hydrogen 3.376 N/A THR 167.A N ASP 165.A OD1 no hydrogen 3.019 N/A THR 167.A OG1 ASP 165.A OD1 no hydrogen 2.448 N/A ASN 170.A N LEU 166.A O no hydrogen 2.995 N/A HIS 171.A N THR 167.A O no hydrogen 3.051 N/A HIS 171.A ND1 HIS 236.A ND1 no hydrogen 2.974 N/A MET 172.A N ASN 168.A O no hydrogen 3.047 N/A LEU 174.A N ASN 170.A O no hydrogen 3.068 N/A PHE 175.A N HIS 171.A O no hydrogen 2.879 N/A LEU 176.A N MET 172.A O no hydrogen 3.392 N/A GLN 177.A N GLY 173.A O no hydrogen 3.047 N/A LYS 178.A N LEU 174.A O no hydrogen 2.803 N/A LYS 178.A NZ ASP 134.A OD1 no hydrogen 3.269 N/A LYS 178.A NZ ASP 232.A OD2 no hydrogen 2.832 N/A LYS 178.A NZ HIS 236.A NE2 no hydrogen 2.718 N/A THR 179.A N PHE 175.A O no hydrogen 3.206 N/A THR 179.A OG1 PHE 175.A O no hydrogen 2.685 N/A ASN 180.A N LEU 176.A O no hydrogen 3.054 N/A ILE 181.A N GLN 177.A O no hydrogen 2.761 N/A ILE 182.A N LYS 178.A O no hydrogen 2.894 N/A ARG 183.A N THR 179.A O no hydrogen 3.021 N/A ASP 184.A N ASN 180.A O no hydrogen 2.845 N/A ASP 188.A N ASP 184.A O no hydrogen 2.812 N/A ILE 189.A N PHE 185.A O no hydrogen 2.937 N/A ILE 189.A N TYR 186.A O no hydrogen 3.301 N/A CYS 190.A N TYR 186.A O no hydrogen 2.973 N/A CYS 190.A N GLU 187.A O no hydrogen 3.287 N/A CYS 190.A SG TYR 186.A O no hydrogen 3.013 N/A ARG 195.A N ASP 188.A O no hydrogen 2.689 N/A TRP 198.A NE1 ILE 181.A O no hydrogen 3.070 N/A ARG 200.A NE GLU 128.A OE1 no hydrogen 2.608 N/A GLU 201.A N GLU 128.A O no hydrogen 2.666 N/A ILE 202.A N PRO 199.A O no hydrogen 2.732 N/A TRP 203.A N PRO 199.A O no hydrogen 3.278 N/A GLU 204.A N ARG 200.A O no hydrogen 2.850 N/A LYS 205.A N ILE 202.A O no hydrogen 3.284 N/A TYR 206.A N TRP 203.A O no hydrogen 2.815 N/A THR 207.A N TRP 203.A O no hydrogen 2.985 N/A THR 207.A OG1 ASP 209.A O no hydrogen 2.782 N/A ASP 209.A N THR 207.A OG1 no hydrogen 2.977 N/A ALA 212.A N ASP 209.A O no hydrogen 2.917 N/A PHE 213.A N LEU 210.A O no hydrogen 3.248 N/A LYS 214.A N HIS 211.A O no hydrogen 3.505 N/A ASP 215.A N ALA 212.A O no hydrogen 3.124 N/A LEU 217.A N ASP 215.A OD2 no hydrogen 3.039 N/A HIS 218.A N ASP 215.A O no hydrogen 3.161 N/A GLU 219.A N GLU 216.A O no hydrogen 2.724 N/A ALA 222.A N HIS 218.A O no hydrogen 2.927 N/A VAL 223.A N GLU 219.A O no hydrogen 3.097 N/A GLU 224.A N ALA 220.A O no hydrogen 2.964 N/A CYS 225.A N LYS 221.A O no hydrogen 2.949 N/A CYS 225.A N ALA 222.A O no hydrogen 2.803 N/A LEU 226.A N ALA 222.A O no hydrogen 2.829 N/A ASN 227.A N VAL 223.A O no hydrogen 3.127 N/A ASN 227.A ND2 ASN 272.A OD1 no hydrogen 3.228 N/A MET 229.A N CYS 225.A O no hydrogen 3.010 N/A VAL 230.A N LEU 226.A O no hydrogen 2.960 N/A ALA 231.A N ASN 227.A O no hydrogen 2.951 N/A ASP 232.A N ALA 228.A O no hydrogen 3.117 N/A ALA 233.A N MET 229.A O no hydrogen 3.178 N/A ALA 233.A N VAL 230.A O no hydrogen 3.058 N/A LEU 234.A N VAL 230.A O no hydrogen 3.069 N/A HIS 236.A N ALA 233.A O no hydrogen 3.017 N/A HIS 236.A ND1 HIS 171.A ND1 no hydrogen 2.974 N/A VAL 237.A N LEU 234.A O no hydrogen 3.207 N/A HIS 239.A N HIS 236.A O no hydrogen 2.928 N/A VAL 240.A N HIS 236.A O no hydrogen 2.941 N/A VAL 241.A N VAL 237.A O no hydrogen 3.103 N/A GLU 242.A N PRO 238.A O no hydrogen 3.466 N/A TYR 243.A N HIS 239.A O no hydrogen 3.022 N/A TYR 243.A OH THR 149.A OG1 no hydrogen 2.717 N/A LEU 244.A N VAL 240.A O no hydrogen 2.964 N/A ALA 245.A N VAL 241.A O no hydrogen 2.856 N/A ALA 245.A N GLU 242.A O no hydrogen 3.151 N/A SER 246.A N TYR 243.A O no hydrogen 3.127 N/A SER 246.A OG TYR 243.A O no hydrogen 2.828 N/A ARG 248.A N GLU 158.A OE1 no hydrogen 3.093 N/A ARG 248.A NE LEU 157.A O no hydrogen 2.757 N/A ARG 248.A NH2 GLY 156.A O no hydrogen 2.921 N/A ARG 248.A NH2 LEU 157.A O no hydrogen 3.355 N/A ASP 249.A N GLU 158.A OE2 no hydrogen 2.915 N/A SER 251.A N ASP 249.A OD1 no hydrogen 2.502 N/A SER 251.A OG GLU 24.A O no hydrogen 2.477 N/A SER 251.A OG ASP 26.A OD1 no hydrogen 3.509 N/A VAL 252.A N ASP 249.A OD1 no hydrogen 3.150 N/A PHE 253.A N ASP 249.A O no hydrogen 3.083 N/A ALA 254.A N PRO 250.A O no hydrogen 3.326 N/A PHE 255.A N SER 251.A O no hydrogen 3.341 N/A SER 256.A N VAL 252.A O no hydrogen 3.080 N/A SER 256.A N PHE 253.A O no hydrogen 2.864 N/A SER 256.A OG TYR 152.A OH no hydrogen 3.269 N/A SER 256.A OG VAL 252.A O no hydrogen 2.960 N/A ALA 257.A N PHE 253.A O no hydrogen 2.677 N/A ILE 258.A N ALA 254.A O no hydrogen 3.130 N/A GLN 260.A NE2 MET 172.A O no hydrogen 3.401 N/A VAL 261.A N ALA 257.A O no hydrogen 2.891 N/A MET 262.A N ILE 258.A O no hydrogen 2.823 N/A ALA 263.A N PRO 259.A O no hydrogen 2.860 N/A MET 264.A N GLN 260.A O no hydrogen 3.008 N/A ALA 265.A N VAL 261.A O no hydrogen 3.110 N/A THR 266.A N MET 262.A O no hydrogen 3.082 N/A THR 266.A OG1 MET 262.A O no hydrogen 2.710 N/A LEU 267.A N ALA 263.A O no hydrogen 2.682 N/A SER 268.A N MET 264.A O no hydrogen 2.853 N/A SER 268.A OG ALA 265.A O no hydrogen 2.683 N/A LEU 269.A N THR 266.A O no hydrogen 3.205 N/A VAL 270.A N THR 266.A O no hydrogen 3.131 N/A ASN 272.A ND2 ARG 315.A O no hydrogen 3.577 N/A ASN 273.A N VAL 270.A O no hydrogen 2.977 N/A ASN 273.A ND2 LEU 269.A O no hydrogen 2.934 N/A LYS 274.A NZ GLU 219.A OE2 no hydrogen 3.432 N/A ASP 275.A N ASN 273.A OD1 no hydrogen 2.887 N/A PHE 277.A N LYS 274.A O no hydrogen 2.826 N/A HIS 278.A N ASP 275.A O no hydrogen 2.955 N/A HIS 278.A NE2 ASP 275.A OD1 no hydrogen 2.995 N/A ALA 287.A N THR 284.A OG1 no hydrogen 2.985 N/A THR 288.A N THR 284.A O no hydrogen 2.929 N/A ALA 289.A N GLY 286.A O no hydrogen 3.217 N/A ARG 290.A N GLY 286.A O no hydrogen 2.968 N/A ILE 291.A N ALA 287.A O no hydrogen 3.001 N/A PHE 292.A N THR 288.A O no hydrogen 3.280 N/A HIS 293.A N ALA 289.A O no hydrogen 3.286 N/A TYR 294.A N ARG 290.A O no hydrogen 3.324 N/A SER 295.A N ILE 291.A O no hydrogen 3.035 N/A SER 295.A OG ILE 291.A O no hydrogen 2.750 N/A GLN 299.A N GLU 297.A OE2 no hydrogen 2.490 N/A GLN 299.A NE2 HIS 340.A O no hydrogen 3.109 N/A ALA 300.A N GLU 297.A OE1 no hydrogen 3.110 N/A THR 301.A N GLU 297.A O no hydrogen 2.986 N/A THR 301.A OG1 GLU 297.A O no hydrogen 2.820 N/A LEU 302.A N LEU 298.A O no hydrogen 2.686 N/A GLN 303.A N GLN 299.A O no hydrogen 3.019 N/A MET 304.A N THR 301.A O no hydrogen 3.213 N/A LEU 305.A N THR 301.A O no hydrogen 3.067 N/A LYS 306.A N LEU 302.A O no hydrogen 2.903 N/A LYS 306.A NZ GLN 303.A O no hydrogen 3.270 N/A THR 307.A N GLN 303.A O no hydrogen 2.996 N/A THR 307.A OG1 GLN 303.A O no hydrogen 2.881 N/A TYR 308.A N MET 304.A O no hydrogen 3.010 N/A THR 309.A N LEU 305.A O no hydrogen 2.940 N/A THR 309.A OG1 LEU 305.A O no hydrogen 2.425 N/A LEU 310.A N LYS 306.A O no hydrogen 2.814 N/A ARG 311.A N THR 307.A O no hydrogen 2.860 N/A LEU 312.A N TYR 308.A O no hydrogen 3.019 N/A ALA 313.A N THR 309.A O no hydrogen 3.157 N/A ALA 314.A N LEU 310.A O no hydrogen 3.009 N/A ARG 315.A N ARG 311.A O no hydrogen 3.187 N/A ARG 315.A NH1 SER 268.A O no hydrogen 2.687 N/A ARG 315.A NH1 PHE 271.A O no hydrogen 2.252 N/A ILE 326.A N CYS 322.A O no hydrogen 3.273 N/A GLU 327.A N TYR 323.A O no hydrogen 2.989 N/A HIS 328.A N ASP 324.A O no hydrogen 3.457 N/A VAL 330.A N ILE 326.A O no hydrogen 2.865 N/A ASN 331.A N GLU 327.A O no hydrogen 3.416 N/A ALA 333.A N LEU 329.A O no hydrogen 3.101 N/A ILE 334.A N VAL 330.A O no hydrogen 2.778 N/A ARG 335.A N ASN 331.A O no hydrogen 2.663 N/A ALA 336.A N ASP 332.A O no hydrogen 3.206 N/A MET 337.A N ALA 333.A O no hydrogen 3.003 N/A GLU 338.A N ILE 334.A O no hydrogen 2.753 N/A SER 339.A N ARG 335.A O no hydrogen 2.642 N/A HIS 340.A N MET 337.A O no hydrogen 3.002 N/A HIS 340.A NE2 GLU 242.A OE2 no hydrogen 2.900 N/A GLN 341.A N GLU 338.A O no hydrogen 2.912 N/A