Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 6.A N CYS 208.A O no hydrogen 2.860 N/A SER 8.A OG LYS 210.A O no hydrogen 3.159 N/A GLU 10.A N SER 7.A O no hydrogen 3.207 N/A VAL 11.A N SER 8.A O no hydrogen 3.001 N/A ILE 12.A N SER 8.A O no hydrogen 2.827 N/A LEU 13.A N PRO 33.A O no hydrogen 3.194 N/A THR 16.A N GLN 19.A OE1 no hydrogen 2.940 N/A GLN 19.A N THR 16.A O no hydrogen 3.114 N/A LEU 20.A N GLY 17.A O no hydrogen 3.376 N/A THR 21.A N GLN 19.A O no hydrogen 2.961 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.751 N/A PHE 24.A N THR 21.A OG1 no hydrogen 3.182 N/A LEU 25.A N THR 21.A O no hydrogen 3.138 N/A GLU 26.A N VAL 22.A O no hydrogen 2.793 N/A GLU 27.A N GLU 23.A O no hydrogen 3.218 N/A PHE 30.A N ASN 28.A OD1 no hydrogen 2.569 N/A SER 31.A OG ASN 28.A O no hydrogen 3.392 N/A ILE 34.A N PHE 220.A O no hydrogen 2.941 N/A LEU 35.A N LEU 13.A O no hydrogen 2.891 N/A VAL 36.A N THR 218.A O no hydrogen 2.828 N/A LEU 42.A N LYS 39.A O no hydrogen 3.122 N/A THR 45.A N GLU 113.A O no hydrogen 3.028 N/A SER 50.A N SER 48.A OG no hydrogen 3.382 N/A PHE 51.A N SER 48.A O no hydrogen 2.902 N/A THR 52.A N ASP 55.A OD2 no hydrogen 3.051 N/A ARG 54.A N TYR 88.A OH no hydrogen 3.242 N/A VAL 56.A N THR 52.A O no hydrogen 3.086 N/A VAL 56.A N VAL 53.A O no hydrogen 3.059 N/A GLU 57.A N VAL 53.A O no hydrogen 3.163 N/A TYR 59.A N VAL 56.A O no hydrogen 2.889 N/A VAL 60.A N VAL 56.A O no hydrogen 3.226 N/A GLY 61.A N GLU 57.A O no hydrogen 3.248 N/A ILE 65.A N MET 78.A O no hydrogen 3.038 N/A VAL 67.A N CYS 76.A O no hydrogen 2.955 N/A ILE 68.A N ASN 97.A O no hydrogen 2.761 N/A ASP 69.A N ALA 74.A O no hydrogen 2.783 N/A VAL 70.A N VAL 95.A O no hydrogen 3.188 N/A GLN 73.A N VAL 70.A O no hydrogen 3.153 N/A ALA 74.A N ASP 69.A O no hydrogen 3.011 N/A CYS 76.A N VAL 67.A O no hydrogen 3.043 N/A CYS 76.A SG VAL 67.A O no hydrogen 4.019 N/A MET 78.A N ILE 65.A O no hydrogen 3.133 N/A PHE 83.A N LYS 79.A O no hydrogen 3.287 N/A VAL 84.A N LEU 80.A O no hydrogen 3.048 N/A LYS 85.A N GLY 81.A O no hydrogen 3.045 N/A TYR 86.A N ASP 82.A O no hydrogen 2.939 N/A TYR 86.A OH LYS 94.A O no hydrogen 2.655 N/A TYR 87.A N PHE 83.A O no hydrogen 2.731 N/A TYR 87.A OH CYS 235.A O no hydrogen 3.235 N/A TYR 88.A N VAL 84.A O no hydrogen 2.992 N/A SER 89.A N TYR 86.A O no hydrogen 3.240 N/A ARG 92.A NE TYR 87.A O no hydrogen 3.184 N/A ARG 92.A NH1 ASP 234.A OD1 no hydrogen 3.267 N/A ARG 92.A NH2 TYR 87.A O no hydrogen 2.840 N/A ARG 92.A NH2 ASP 234.A OD2 no hydrogen 2.762 N/A LEU 96.A N TYR 86.A OH no hydrogen 2.876 N/A ASN 97.A N ILE 68.A O no hydrogen 2.887 N/A VAL 98.A N MET 145.A O no hydrogen 2.938 N/A GLU 102.A N SER 100.A O no hydrogen 2.897 N/A PHE 103.A N LYS 141.A O no hydrogen 3.032 N/A SER 104.A N GLU 102.A OE2 no hydrogen 2.494 N/A SER 104.A OG GLU 102.A OE1 no hydrogen 3.515 N/A SER 104.A OG GLU 102.A OE2 no hydrogen 2.624 N/A THR 106.A N PHE 103.A O no hydrogen 3.138 N/A THR 106.A OG1 PHE 103.A O no hydrogen 2.514 N/A SER 109.A OG SER 104.A O no hydrogen 2.657 N/A LEU 111.A N LEU 108.A O no hydrogen 2.854 N/A GLU 113.A N THR 45.A O no hydrogen 2.864 N/A LYS 116.A N LEU 42.A O no hydrogen 2.790 N/A ARG 119.A N PRO 115.A O no hydrogen 3.225 N/A ARG 119.A NH1 THR 114.A O no hydrogen 2.283 N/A ARG 119.A NH1 THR 114.A OG1 no hydrogen 3.263 N/A LYS 120.A N LYS 116.A O no hydrogen 2.972 N/A LEU 121.A N ILE 117.A O no hydrogen 3.066 N/A SER 122.A N VAL 118.A O no hydrogen 2.916 N/A TRP 123.A N LEU 243.A O no hydrogen 2.882 N/A TRP 123.A NE1 SER 245.A OG no hydrogen 2.751 N/A GLU 125.A N SER 122.A OG no hydrogen 3.152 N/A ASN 126.A N SER 122.A O no hydrogen 3.123 N/A ASN 126.A ND2 ARG 119.A O no hydrogen 2.722 N/A ASN 126.A ND2 SER 122.A O no hydrogen 2.745 N/A LEU 127.A N TRP 123.A O no hydrogen 2.780 N/A TRP 128.A N VAL 124.A O no hydrogen 3.171 N/A CYS 132.A SG PHE 134.A O no hydrogen 3.760 N/A ARG 136.A NE ASN 138.A OD1 no hydrogen 3.561 N/A ARG 136.A NH2 GLN 140.A OE1 no hydrogen 2.676 N/A GLN 140.A NE2 PRO 137.A O no hydrogen 3.304 N/A LYS 141.A NZ SER 109.A O no hydrogen 2.623 N/A LYS 141.A NZ VAL 112.A O no hydrogen 2.911 N/A TYR 142.A N GLY 239.A O no hydrogen 2.664 N/A CYS 143.A N LEU 101.A O no hydrogen 3.020 N/A LEU 144.A N ALA 237.A O no hydrogen 2.771 N/A MET 145.A N VAL 98.A O no hydrogen 3.041 N/A SER 146.A N CYS 235.A O no hydrogen 3.060 N/A SER 146.A OG ASN 97.A OD1 no hydrogen 2.625 N/A ARG 148.A N ASP 234.A OD1 no hydrogen 2.822 N/A ASP 149.A N THR 231.A O no hydrogen 2.713 N/A SER 150.A N VAL 147.A O no hydrogen 3.087 N/A THR 152.A N VAL 229.A O no hydrogen 2.949 N/A PHE 154.A N ASP 153.A OD1 no hydrogen 2.946 N/A HIS 155.A N HIS 227.A O no hydrogen 3.166 N/A HIS 155.A ND1 ASP 153.A O no hydrogen 2.864 N/A GLY 159.A N GLU 258.A OE1 no hydrogen 2.825 N/A GLY 160.A N ASP 157.A O no hydrogen 3.206 N/A THR 161.A N PHE 158.A O no hydrogen 3.165 N/A THR 161.A OG1 PHE 158.A O no hydrogen 2.941 N/A THR 161.A OG1 ASN 241.A OD1 no hydrogen 2.983 N/A SER 162.A N PHE 242.A O no hydrogen 2.838 N/A SER 162.A OG THR 223.A OG1 no hydrogen 3.318 N/A SER 162.A OG HIS 244.A NE2 no hydrogen 2.993 N/A VAL 163.A N ILE 221.A O no hydrogen 2.979 N/A TRP 164.A N GLY 240.A O no hydrogen 2.978 N/A TYR 165.A N LEU 219.A O no hydrogen 2.820 N/A HIS 166.A N PHE 238.A O no hydrogen 2.685 N/A HIS 166.A ND1 THR 218.A OG1 no hydrogen 2.651 N/A VAL 167.A N GLN 217.A O no hydrogen 3.227 N/A LEU 168.A N LEU 236.A O no hydrogen 2.825 N/A LYS 169.A N LEU 236.A O no hydrogen 3.073 N/A LYS 172.A N VAL 213.A O no hydrogen 2.887 N/A LYS 172.A NZ SER 146.A OG no hydrogen 3.022 N/A LYS 172.A NZ THR 231.A OG1 no hydrogen 2.357 N/A ILE 173.A N LEU 230.A O no hydrogen 2.793 N/A PHE 174.A N CYS 211.A O no hydrogen 2.754 N/A TYR 175.A N ALA 228.A O no hydrogen 2.882 N/A LEU 176.A N TYR 209.A O no hydrogen 2.733 N/A ILE 177.A N ILE 226.A O no hydrogen 2.786 N/A ASN 183.A N THR 180.A OG1 no hydrogen 3.123 N/A ASN 183.A ND2 ARG 178.A O no hydrogen 2.812 N/A LEU 184.A N THR 180.A O no hydrogen 2.862 N/A THR 185.A N ASN 181.A O no hydrogen 2.988 N/A THR 185.A OG1 ASN 181.A O no hydrogen 2.929 N/A LEU 186.A N ALA 182.A O no hydrogen 2.851 N/A PHE 187.A N ASN 183.A O no hydrogen 2.647 N/A GLU 188.A N LEU 184.A O no hydrogen 2.893 N/A CYS 189.A N THR 185.A O no hydrogen 3.010 N/A TRP 190.A N LEU 186.A O no hydrogen 3.003 N/A TRP 190.A NE1 MET 199.A O no hydrogen 3.209 N/A SER 191.A N PHE 187.A O no hydrogen 2.888 N/A SER 192.A N GLU 188.A O no hydrogen 3.200 N/A SER 192.A OG GLU 188.A O no hydrogen 2.741 N/A SER 193.A OG SER 194.A O no hydrogen 3.298 N/A GLN 204.A N PHE 201.A O no hydrogen 3.029 N/A CYS 208.A N ASP 6.A OD2 no hydrogen 3.125 N/A TYR 209.A N LEU 176.A O no hydrogen 2.963 N/A LYS 210.A N ASP 6.A O no hydrogen 3.492 N/A CYS 211.A N PHE 174.A O no hydrogen 2.691 N/A CYS 211.A SG SER 212.A O no hydrogen 3.999 N/A VAL 213.A N LYS 172.A O no hydrogen 2.628 N/A LYS 214.A N GLN 217.A OE1 no hydrogen 3.121 N/A GLY 216.A N VAL 167.A O no hydrogen 2.880 N/A GLN 217.A N LYS 214.A O no hydrogen 3.056 N/A THR 218.A N VAL 36.A O no hydrogen 2.944 N/A THR 218.A OG1 HIS 166.A ND1 no hydrogen 2.651 N/A LEU 219.A N TYR 165.A O no hydrogen 2.888 N/A PHE 220.A N ILE 34.A O no hydrogen 2.814 N/A ILE 221.A N VAL 163.A O no hydrogen 2.881 N/A THR 223.A OG1 SER 162.A OG no hydrogen 3.318 N/A TRP 225.A NE1 SER 31.A O no hydrogen 2.888 N/A ILE 226.A N ILE 177.A O no hydrogen 3.049 N/A HIS 227.A N HIS 155.A O no hydrogen 2.989 N/A HIS 227.A ND1 TRP 225.A O no hydrogen 3.093 N/A ALA 228.A N TYR 175.A O no hydrogen 2.991 N/A VAL 229.A N THR 152.A O no hydrogen 3.003 N/A LEU 230.A N ILE 173.A O no hydrogen 2.835 N/A THR 231.A N SER 150.A O no hydrogen 2.922 N/A CYS 235.A N SER 146.A O no hydrogen 2.756 N/A CYS 235.A SG LYS 169.A O no hydrogen 3.338 N/A CYS 235.A SG GLU 171.A O no hydrogen 3.894 N/A LEU 236.A N LYS 169.A O no hydrogen 2.998 N/A ALA 237.A N LEU 144.A O no hydrogen 2.840 N/A PHE 238.A N HIS 166.A O no hydrogen 2.844 N/A GLY 239.A N TYR 142.A O no hydrogen 3.056 N/A GLY 240.A N TRP 164.A O no hydrogen 3.054 N/A ASN 241.A N VAL 139.A O no hydrogen 2.889 N/A PHE 242.A N SER 162.A O no hydrogen 2.966 N/A HIS 244.A N GLN 251.A OE1 no hydrogen 2.822 N/A HIS 244.A NE2 SER 162.A OG no hydrogen 2.993 N/A LEU 246.A N HIS 244.A ND1 no hydrogen 3.139 N/A ASN 247.A ND2 SER 29.A O no hydrogen 3.013 N/A ASN 247.A ND2 PHE 30.A O no hydrogen 3.692 N/A GLN 251.A N ASN 247.A O no hydrogen 3.074 N/A GLN 251.A NE2 HIS 244.A O no hydrogen 3.126 N/A LEU 252.A N ILE 248.A O no hydrogen 2.989 N/A LYS 253.A N GLU 249.A O no hydrogen 2.838 N/A ALA 254.A N MET 250.A O no hydrogen 2.856 N/A TYR 255.A N GLN 251.A O no hydrogen 2.895 N/A TYR 255.A OH GLU 269.A OE2 no hydrogen 2.536 N/A GLU 256.A N LEU 252.A O no hydrogen 2.948 N/A ILE 257.A N LYS 253.A O no hydrogen 3.079 N/A ILE 257.A N ALA 254.A O no hydrogen 3.216 N/A GLU 258.A N ALA 254.A O no hydrogen 3.364 N/A LYS 259.A N TYR 255.A O no hydrogen 3.237 N/A ARG 260.A N GLU 256.A O no hydrogen 3.182 N/A LEU 261.A N ILE 257.A O no hydrogen 2.997 N/A SER 262.A N GLU 258.A O no hydrogen 2.899 N/A ASN 267.A ND2 GLU 135.A O no hydrogen 3.515 N/A THR 270.A OG1 ASN 267.A OD1 no hydrogen 3.290 N/A THR 270.A OG1 GLU 323.A O no hydrogen 2.851 N/A ILE 271.A N ASN 267.A O no hydrogen 3.220 N/A CYS 272.A N PHE 268.A O no hydrogen 3.248 N/A CYS 272.A SG PHE 268.A O no hydrogen 3.464 N/A TRP 273.A N GLU 269.A O no hydrogen 2.966 N/A TYR 274.A N THR 270.A O no hydrogen 3.206 N/A VAL 275.A N ILE 271.A O no hydrogen 2.802 N/A GLY 276.A N CYS 272.A O no hydrogen 2.770 N/A LYS 277.A N TRP 273.A O no hydrogen 3.164 N/A HIS 278.A N TYR 274.A O no hydrogen 3.131 N/A ILE 279.A N VAL 275.A O no hydrogen 2.763 N/A LEU 280.A N GLY 276.A O no hydrogen 2.993 N/A ASP 281.A N LYS 277.A O no hydrogen 3.282 N/A ILE 282.A N HIS 278.A O no hydrogen 2.960 N/A PHE 283.A N ILE 279.A O no hydrogen 3.058 N/A ARG 284.A N LEU 280.A O no hydrogen 3.031 N/A GLY 285.A N ASP 281.A O no hydrogen 2.854 N/A LEU 286.A N ILE 282.A O no hydrogen 2.943 N/A ARG 287.A N PHE 283.A O no hydrogen 2.909 N/A ARG 287.A NE GLU 340.A OE1 no hydrogen 2.883 N/A ARG 287.A NH2 GLU 340.A OE2 no hydrogen 2.886 N/A GLU 288.A N ARG 284.A O no hydrogen 3.021 N/A ASN 289.A ND2 GLY 285.A O no hydrogen 2.689 N/A ARG 290.A N ARG 287.A O no hydrogen 3.063 N/A ARG 291.A N LEU 286.A O no hydrogen 2.724 N/A TYR 296.A OH GLU 26.A OE2 no hydrogen 2.552 N/A LEU 297.A N ALA 294.A O no hydrogen 3.088 N/A VAL 298.A N ALA 294.A O no hydrogen 3.364 N/A HIS 299.A N SER 295.A O no hydrogen 3.107 N/A GLY 300.A N TYR 296.A O no hydrogen 2.876 N/A GLY 301.A N LEU 297.A O no hydrogen 2.663 N/A LYS 302.A N VAL 298.A O no hydrogen 2.871 N/A LYS 302.A NZ GLU 345.A OE1 no hydrogen 3.221 N/A LYS 302.A NZ GLU 345.A OE2 no hydrogen 2.801 N/A ALA 303.A N HIS 299.A O no hydrogen 2.973 N/A LEU 304.A N GLY 300.A O no hydrogen 2.805 N/A ASN 305.A N GLY 301.A O no hydrogen 3.011 N/A ASN 305.A ND2 ILE 334.A O no hydrogen 3.197 N/A LEU 306.A N LYS 302.A O no hydrogen 2.934 N/A ALA 307.A N ALA 303.A O no hydrogen 3.077 N/A PHE 308.A N LEU 304.A O no hydrogen 2.885 N/A ARG 309.A N ASN 305.A O no hydrogen 3.012 N/A ALA 310.A N LEU 306.A O no hydrogen 3.018 N/A TRP 311.A N ALA 307.A O no hydrogen 2.870 N/A TRP 311.A NE1 GLU 256.A OE2 no hydrogen 3.286 N/A THR 312.A N PHE 308.A O no hydrogen 3.211 N/A THR 312.A N ARG 309.A O no hydrogen 3.326 N/A THR 312.A OG1 PHE 308.A O no hydrogen 2.589 N/A THR 312.A OG1 ARG 309.A O no hydrogen 3.508 N/A ALA 316.A N ARG 313.A O no hydrogen 3.115 N/A LEU 317.A N ARG 313.A O no hydrogen 2.763 N/A ASP 319.A N ALA 316.A O no hydrogen 2.906 N/A HIS 320.A N LEU 317.A O no hydrogen 2.897 N/A HIS 320.A ND1 GLU 269.A OE1 no hydrogen 2.787 N/A GLU 321.A N LEU 317.A O no hydrogen 2.866 N/A GLU 323.A N HIS 320.A O no hydrogen 3.158 N/A ILE 324.A N GLU 321.A O no hydrogen 3.048 N/A VAL 328.A N PRO 325.A O no hydrogen 2.993 N/A GLN 332.A NE2 ASP 336.A OD1 no hydrogen 2.936 N/A GLN 332.A NE2 ASP 336.A OD2 no hydrogen 3.516 N/A LEU 333.A N ARG 329.A O no hydrogen 2.922 N/A ILE 334.A N THR 330.A O no hydrogen 2.991 N/A LYS 335.A N VAL 331.A O no hydrogen 2.885 N/A ASP 336.A N GLN 332.A O no hydrogen 2.765 N/A LEU 337.A N LEU 333.A O no hydrogen 2.876 N/A ALA 338.A N ILE 334.A O no hydrogen 3.051 N/A ARG 339.A N LYS 335.A O no hydrogen 3.163 N/A GLU 340.A N ASP 336.A O no hydrogen 3.228 N/A ILE 341.A N LEU 337.A O no hydrogen 3.132 N/A ARG 342.A N ALA 338.A O no hydrogen 2.941 N/A LEU 343.A N ARG 339.A O no hydrogen 2.810 N/A VAL 344.A N GLU 340.A O no hydrogen 3.204 N/A GLU 345.A N ILE 341.A O no hydrogen 2.979 N/A ASP 346.A N ARG 342.A O no hydrogen 2.604 N/A GLN 349.A N ASP 346.A O no hydrogen 3.459 N/A