Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u4l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PRO 80.A O no hydrogen 2.997 N/A VAL 4.A N GLY 15.A O no hydrogen 3.073 N/A VAL 5.A N LEU 82.A O no hydrogen 2.724 N/A ASP 6.A N LYS 13.A O no hydrogen 2.761 N/A CYS 12.A N PHE 26.A O no hydrogen 2.726 N/A LYS 13.A N ASP 6.A O no hydrogen 2.917 N/A LYS 13.A NZ MET 11.A O no hydrogen 2.758 N/A ALA 14.A N ALA 24.A O no hydrogen 2.891 N/A ALA 17.A N ALA 2.A O no hydrogen 2.918 N/A ARG 23.A N ALA 14.A O no hydrogen 2.822 N/A PHE 26.A N CYS 12.A O no hydrogen 2.890 N/A SER 28.A N GLY 10.A O no hydrogen 3.090 N/A SER 28.A OG GLY 8.A O no hydrogen 2.920 N/A VAL 30.A N LYS 46.A O no hydrogen 3.159 N/A GLY 31.A N TYR 34.A O no hydrogen 2.584 N/A GLY 36.A N ILE 29.A O no hydrogen 2.603 N/A ASP 37.A N ASP 37.A OD2 no hydrogen 2.452 N/A GLU 38.A N VAL 35.A O no hydrogen 3.239 N/A SER 41.A OG ASP 37.A O no hydrogen 3.309 N/A SER 41.A OG GLN 40.A O no hydrogen 2.825 N/A LYS 42.A NZ GLU 38.A O no hydrogen 3.312 N/A GLU 50.A N ILE 53.A O no hydrogen 2.701 N/A GLY 52.A N SER 9.A OG no hydrogen 2.695 N/A ILE 53.A N GLU 50.A O no hydrogen 3.088 N/A THR 55.A N PRO 48.A O no hydrogen 2.836 N/A THR 55.A OG1 PRO 48.A O no hydrogen 2.766 N/A ASP 59.A N ASN 56.A OD1 no hydrogen 3.492 N/A MET 60.A N ASN 56.A O no hydrogen 2.994 N/A GLU 61.A N TRP 57.A O no hydrogen 2.788 N/A LYS 62.A N ASP 58.A O no hydrogen 3.079 N/A ILE 63.A N ASP 59.A O no hydrogen 2.909 N/A TRP 64.A N MET 60.A O no hydrogen 2.976 N/A TRP 64.A NE1 ASN 7.A OD1 no hydrogen 2.706 N/A HIS 65.A N GLU 61.A O no hydrogen 2.797 N/A HIS 66.A N LYS 62.A O no hydrogen 2.844 N/A THR 67.A N ILE 63.A O no hydrogen 2.711 N/A THR 67.A OG1 ILE 63.A O no hydrogen 2.508 N/A THR 67.A OG1 TRP 64.A O no hydrogen 3.207 N/A PHE 68.A N TRP 64.A O no hydrogen 3.013 N/A PHE 68.A N HIS 65.A O no hydrogen 3.263 N/A TYR 69.A N HIS 65.A O no hydrogen 2.985 N/A ASN 70.A N HIS 66.A O no hydrogen 2.971 N/A GLU 71.A N HIS 66.A O no hydrogen 2.904 N/A LEU 72.A N THR 67.A O no hydrogen 2.809 N/A VAL 74.A N PHE 68.A O no hydrogen 2.804 N/A GLU 77.A N GLU 77.A OE2 no hydrogen 2.723 N/A GLU 78.A N ALA 75.A O no hydrogen 3.086 N/A HIS 79.A N PRO 76.A O no hydrogen 3.152 N/A HIS 79.A ND1 ALA 1.A O no hydrogen 2.573 N/A VAL 81.A N ALA 109.A O no hydrogen 3.048 N/A LEU 82.A N LEU 3.A O no hydrogen 2.612 N/A LEU 83.A N TYR 111.A O no hydrogen 2.917 N/A THR 84.A N VAL 5.A O no hydrogen 3.182 N/A THR 84.A OG1 ASP 6.A OD1 no hydrogen 2.613 N/A GLU 85.A N ALA 113.A O no hydrogen 2.988 N/A ASN 89.A N ALA 86.A O no hydrogen 3.088 N/A ASN 89.A ND2 GLU 85.A OE1 no hydrogen 2.893 N/A ASN 93.A N PRO 90.A O no hydrogen 3.140 N/A ASN 93.A ND2 VAL 54.A O no hydrogen 3.376 N/A ARG 94.A N PRO 90.A O no hydrogen 3.318 N/A ARG 94.A NE GLU 85.A OE2 no hydrogen 3.470 N/A GLU 95.A N LYS 91.A O no hydrogen 3.137 N/A LYS 96.A N ALA 92.A O no hydrogen 3.023 N/A MET 97.A N ASN 93.A O no hydrogen 3.133 N/A THR 98.A N ARG 94.A O no hydrogen 3.319 N/A THR 98.A OG1 ARG 94.A O no hydrogen 2.925 N/A GLN 99.A N GLU 95.A O no hydrogen 2.852 N/A ILE 100.A N LYS 96.A O no hydrogen 2.997 N/A MET 101.A N MET 97.A O no hydrogen 3.070 N/A PHE 102.A N THR 98.A O no hydrogen 3.157 N/A GLU 103.A N GLN 99.A O no hydrogen 2.976 N/A THR 104.A OG1 GLU 61.A OE1 no hydrogen 3.419 N/A PHE 105.A N ILE 100.A O no hydrogen 3.261 N/A MET 110.A N ILE 335.A O no hydrogen 2.670 N/A TYR 111.A N VAL 81.A O no hydrogen 3.095 N/A ALA 113.A N LEU 83.A O no hydrogen 2.976 N/A GLN 115.A N GLU 85.A O no hydrogen 2.818 N/A GLN 115.A NE2 THR 84.A OG1 no hydrogen 3.266 N/A VAL 117.A N ILE 114.A O no hydrogen 2.948 N/A SER 119.A N GLN 115.A O no hydrogen 3.414 N/A LEU 120.A N ALA 116.A O no hydrogen 3.086 N/A TYR 121.A N VAL 117.A O no hydrogen 3.150 N/A ALA 122.A N LEU 118.A O no hydrogen 2.565 N/A SER 123.A OG LEU 120.A O no hydrogen 3.048 N/A GLY 124.A N TYR 121.A O no hydrogen 2.818 N/A ARG 125.A N LEU 120.A O no hydrogen 3.206 N/A ARG 125.A NE ASN 274.A OD1 no hydrogen 2.645 N/A ARG 125.A NH1 SER 123.A OG no hydrogen 2.933 N/A GLY 128.A N ILE 143.A O no hydrogen 3.236 N/A ILE 129.A N ASN 274.A O no hydrogen 2.970 N/A VAL 130.A N VAL 141.A O no hydrogen 3.102 N/A MET 131.A N VAL 276.A O no hydrogen 2.809 N/A ASP 132.A N HIS 139.A O no hydrogen 3.017 N/A SER 133.A N SER 278.A O no hydrogen 3.179 N/A SER 133.A OG THR 138.A OG1 no hydrogen 2.531 N/A GLY 134.A N VAL 137.A O no hydrogen 3.275 N/A THR 138.A N LEU 156.A O no hydrogen 2.856 N/A THR 138.A OG1 SER 133.A OG no hydrogen 2.531 N/A THR 138.A OG1 LEU 158.A O no hydrogen 3.189 N/A HIS 139.A N ASP 132.A O no hydrogen 3.191 N/A THR 140.A N LEU 154.A O no hydrogen 2.869 N/A THR 140.A OG1 SER 259.A OG no hydrogen 2.501 N/A VAL 141.A N VAL 130.A O no hydrogen 2.870 N/A ILE 143.A N GLY 128.A O no hydrogen 2.829 N/A TYR 144.A N TYR 147.A O no hydrogen 2.972 N/A GLU 145.A N THR 127.A OG1 no hydrogen 3.381 N/A GLY 146.A N THR 126.A O no hydrogen 3.062 N/A TYR 147.A N TYR 144.A O no hydrogen 3.255 N/A LEU 149.A N PRO 142.A O no hydrogen 3.134 N/A ALA 152.A N LEU 149.A O no hydrogen 3.098 N/A ILE 153.A N PRO 150.A O no hydrogen 3.389 N/A LEU 154.A N THR 140.A O no hydrogen 3.064 N/A ARG 155.A NH2 ASP 157.A OD2 no hydrogen 3.454 N/A LEU 156.A N THR 138.A O no hydrogen 2.723 N/A ALA 159.A N ASP 162.A OD2 no hydrogen 2.899 N/A GLY 160.A N GLY 134.A O no hydrogen 3.084 N/A ARG 161.A N ASP 135.A O no hydrogen 3.051 N/A LEU 163.A N ALA 159.A O no hydrogen 2.983 N/A THR 164.A N GLY 160.A O no hydrogen 2.784 N/A THR 164.A OG1 GLY 160.A O no hydrogen 3.015 N/A ASP 165.A N ARG 161.A O no hydrogen 2.719 N/A TYR 166.A N ASP 162.A O no hydrogen 2.935 N/A LEU 167.A N LEU 163.A O no hydrogen 3.075 N/A MET 168.A N THR 164.A O no hydrogen 2.962 N/A LYS 169.A N ASP 165.A O no hydrogen 2.760 N/A ILE 170.A N TYR 166.A O no hydrogen 3.149 N/A LEU 171.A N LEU 167.A O no hydrogen 2.960 N/A THR 172.A N MET 168.A O no hydrogen 3.231 N/A THR 172.A OG1 TYR 176.A O no hydrogen 2.896 N/A GLU 173.A N LYS 169.A O no hydrogen 2.934 N/A ARG 174.A N ILE 170.A O no hydrogen 3.003 N/A GLY 175.A N THR 172.A O no hydrogen 2.906 N/A THR 179.A N GLU 183.A OE2 no hydrogen 3.345 N/A ARG 184.A NH2 ASP 165.A OD1 no hydrogen 2.834 N/A GLU 185.A N THR 181.A O no hydrogen 3.393 N/A ARG 188.A N ARG 184.A O no hydrogen 2.820 N/A ASP 189.A N GLU 185.A O no hydrogen 2.819 N/A ILE 190.A N ILE 186.A O no hydrogen 2.904 N/A LYS 191.A N VAL 187.A O no hydrogen 2.829 N/A LYS 191.A NZ GLY 160.A O no hydrogen 3.147 N/A LYS 191.A NZ THR 164.A OG1 no hydrogen 2.805 N/A GLU 192.A N ARG 188.A O no hydrogen 2.857 N/A LYS 193.A N ASP 189.A O no hydrogen 2.860 N/A LEU 194.A N ILE 190.A O no hydrogen 2.954 N/A CYS 195.A N LYS 191.A O no hydrogen 3.361 N/A CYS 195.A SG GLU 231.A O no hydrogen 3.951 N/A CYS 195.A SG ARG 232.A O no hydrogen 3.258 N/A TYR 196.A N ARG 232.A O no hydrogen 2.914 N/A TYR 196.A OH GLU 204.A OE2 no hydrogen 2.712 N/A VAL 197.A N PRO 285.A O no hydrogen 2.797 N/A GLU 204.A N ASP 200.A O no hydrogen 2.780 N/A MET 205.A N PHE 201.A O no hydrogen 2.854 N/A ALA 206.A N GLU 202.A O no hydrogen 2.847 N/A THR 207.A N GLN 203.A O no hydrogen 3.147 N/A THR 207.A OG1 GLN 203.A O no hydrogen 2.716 N/A ALA 208.A N MET 205.A O no hydrogen 3.348 N/A SER 210.A N THR 207.A O no hydrogen 3.286 N/A SER 211.A OG ALA 208.A O no hydrogen 2.743 N/A SER 213.A N SER 211.A O no hydrogen 2.671 N/A LEU 214.A N SER 211.A O no hydrogen 3.520 N/A LYS 216.A N ILE 228.A O no hydrogen 2.828 N/A TYR 218.A N ILE 226.A O no hydrogen 2.928 N/A GLY 223.A N PRO 221.A O no hydrogen 2.578 N/A ILE 226.A N TYR 218.A O no hydrogen 2.812 N/A ILE 228.A N LYS 216.A O no hydrogen 2.583 N/A GLY 229.A N GLU 231.A OE1 no hydrogen 2.657 N/A ARG 232.A N GLY 229.A O no hydrogen 3.066 N/A ARG 232.A NE LEU 194.A O no hydrogen 3.167 N/A ARG 232.A NH1 LEU 214.A O no hydrogen 3.203 N/A ARG 232.A NH2 LEU 194.A O no hydrogen 3.021 N/A PHE 233.A N ASN 230.A O no hydrogen 3.328 N/A ARG 234.A N ASN 230.A O no hydrogen 2.970 N/A ARG 234.A NE ASN 230.A OD1 no hydrogen 2.683 N/A ARG 234.A NH2 ASN 230.A OD1 no hydrogen 3.119 N/A CYS 235.A N GLU 231.A O no hydrogen 3.319 N/A CYS 235.A SG LEU 163.A O no hydrogen 3.440 N/A GLU 237.A N PHE 233.A O no hydrogen 3.153 N/A ALA 238.A N CYS 235.A O no hydrogen 3.116 N/A LEU 239.A N PRO 236.A O no hydrogen 3.017 N/A PHE 240.A N GLU 237.A O no hydrogen 2.860 N/A GLN 241.A N GLU 237.A O no hydrogen 2.787 N/A GLN 241.A NE2 GLU 237.A OE1 no hydrogen 2.799 N/A PHE 244.A N GLN 241.A O no hydrogen 2.974 N/A LEU 245.A N PRO 242.A O no hydrogen 2.905 N/A GLY 246.A N SER 243.A O no hydrogen 2.663 N/A GLY 251.A N GLU 254.A OE2 no hydrogen 2.729 N/A ILE 252.A N LEU 239.A O no hydrogen 2.982 N/A THR 255.A N GLY 251.A O no hydrogen 2.948 N/A THR 255.A OG1 GLY 251.A O no hydrogen 2.932 N/A THR 256.A N ILE 252.A O no hydrogen 2.974 N/A THR 256.A OG1 ILE 252.A O no hydrogen 2.890 N/A PHE 257.A N HIS 253.A O no hydrogen 3.419 N/A ASN 258.A N GLU 254.A O no hydrogen 2.908 N/A SER 259.A N THR 255.A O no hydrogen 2.732 N/A SER 259.A OG THR 140.A OG1 no hydrogen 2.501 N/A SER 259.A OG ALA 152.A O no hydrogen 2.812 N/A ILE 260.A N THR 256.A O no hydrogen 2.848 N/A MET 261.A N PHE 257.A O no hydrogen 2.920 N/A LYS 262.A N SER 259.A O no hydrogen 3.072 N/A CYS 263.A N ILE 260.A O no hydrogen 3.401 N/A CYS 263.A SG SER 259.A O no hydrogen 3.444 N/A ASP 266.A N ASP 264.A OD1 no hydrogen 3.106 N/A ILE 267.A N ASP 264.A O no hydrogen 3.124 N/A ARG 268.A N VAL 265.A O no hydrogen 3.323 N/A ARG 268.A NE CYS 263.A O no hydrogen 3.281 N/A ARG 268.A NH2 CYS 263.A O no hydrogen 3.308 N/A LEU 271.A N ILE 267.A O no hydrogen 2.830 N/A TYR 272.A N ARG 268.A O no hydrogen 2.880 N/A ALA 273.A N LYS 269.A O no hydrogen 2.794 N/A ASN 274.A N LEU 271.A O no hydrogen 3.173 N/A ASN 274.A ND2 ASP 270.A O no hydrogen 3.008 N/A THR 275.A N LYS 306.A O no hydrogen 3.258 N/A THR 275.A OG1 LEU 271.A O no hydrogen 3.064 N/A VAL 276.A N ILE 129.A O no hydrogen 2.772 N/A LEU 277.A N ILE 308.A O no hydrogen 2.956 N/A SER 278.A N MET 131.A O no hydrogen 2.772 N/A SER 278.A OG MET 131.A O no hydrogen 3.388 N/A GLY 279.A N ARG 313.A O no hydrogen 2.614 N/A THR 281.A OG1 GLY 134.A O no hydrogen 2.454 N/A THR 282.A N GLY 279.A O no hydrogen 3.107 N/A THR 282.A OG1 GLY 279.A O no hydrogen 2.638 N/A MET 283.A N GLY 280.A O no hydrogen 2.963 N/A ILE 287.A N TYR 284.A O no hydrogen 3.422 N/A ARG 290.A N GLY 286.A O no hydrogen 2.952 N/A ARG 290.A NE GLU 294.A OE2 no hydrogen 2.596 N/A ARG 290.A NH1 ALA 198.A O no hydrogen 2.642 N/A ARG 290.A NH1 GLU 237.A OE2 no hydrogen 2.691 N/A ARG 290.A NH2 GLU 237.A OE1 no hydrogen 2.506 N/A ARG 290.A NH2 GLU 237.A OE2 no hydrogen 3.338 N/A ARG 290.A NH2 GLU 294.A OE2 no hydrogen 3.305 N/A MET 291.A N ILE 287.A O no hydrogen 2.813 N/A GLN 292.A N ALA 288.A O no hydrogen 2.750 N/A GLN 292.A NE2 ILE 305.A O no hydrogen 3.187 N/A LYS 293.A N ASP 289.A O no hydrogen 2.993 N/A GLU 294.A N ARG 290.A O no hydrogen 2.909 N/A ILE 295.A N MET 291.A O no hydrogen 3.128 N/A THR 296.A N GLN 292.A O no hydrogen 2.918 N/A THR 296.A OG1 GLN 292.A O no hydrogen 2.811 N/A ALA 297.A N LYS 293.A O no hydrogen 3.102 N/A LEU 298.A N GLU 294.A O no hydrogen 3.218 N/A ALA 299.A N ILE 295.A O no hydrogen 2.727 N/A LYS 306.A N TYR 272.A O no hydrogen 3.133 N/A ILE 308.A N THR 275.A O no hydrogen 2.664 N/A ARG 313.A N PRO 310.A O no hydrogen 2.878 N/A ARG 313.A NE PRO 310.A O no hydrogen 2.953 N/A ARG 313.A NH1 THR 282.A O no hydrogen 2.654 N/A TYR 315.A N GLU 312.A O no hydrogen 2.821 N/A ILE 319.A N TYR 315.A O no hydrogen 2.672 N/A GLY 320.A N SER 316.A O no hydrogen 2.668 N/A GLY 321.A N VAL 317.A O no hydrogen 3.061 N/A SER 322.A N TRP 318.A O no hydrogen 2.979 N/A SER 322.A OG PHE 16.A O no hydrogen 3.507 N/A SER 322.A OG ASP 19.A O no hydrogen 3.038 N/A ILE 323.A N ILE 319.A O no hydrogen 3.094 N/A LEU 324.A N GLY 320.A O no hydrogen 3.125 N/A ALA 325.A N GLY 321.A O no hydrogen 3.020 N/A SER 326.A N ILE 323.A O no hydrogen 3.362 N/A SER 326.A OG SER 322.A O no hydrogen 3.027 N/A SER 326.A OG ILE 323.A O no hydrogen 2.833 N/A LEU 327.A N LEU 324.A O no hydrogen 3.103 N/A PHE 330.A N LEU 327.A O no hydrogen 3.239 N/A GLN 331.A N SER 328.A O no hydrogen 3.032 N/A GLN 332.A N THR 329.A O no hydrogen 3.329 N/A MET 333.A N PHE 330.A O no hydrogen 3.132 N/A TRP 334.A N PHE 330.A O no hydrogen 2.949 N/A ILE 335.A N MET 110.A O no hydrogen 3.262 N/A SER 336.A N GLU 339.A OE2 no hydrogen 3.310 N/A SER 336.A OG GLU 339.A OE2 no hydrogen 3.217 N/A LYS 337.A N PRO 108.A O no hydrogen 3.094 N/A LYS 337.A NZ PHE 102.A O no hydrogen 3.107 N/A GLU 339.A N SER 336.A OG no hydrogen 3.221 N/A TYR 340.A N SER 336.A O no hydrogen 2.759 N/A ASP 341.A N LYS 337.A O no hydrogen 2.607 N/A GLU 342.A N GLN 338.A O no hydrogen 2.705 N/A SER 343.A N GLU 339.A O no hydrogen 3.146 N/A GLY 344.A N TYR 340.A O no hydrogen 3.188 N/A VAL 348.A N PRO 345.A O no hydrogen 3.365 N/A HIS 349.A N SER 346.A O no hydrogen 2.950 N/A HIS 349.A NE2 GLU 95.A OE2 no hydrogen 2.596 N/A LYS 351.A N ILE 347.A O no hydrogen 3.105 N/A LYS 351.A NZ TRP 334.A O no hydrogen 2.871 N/A LYS 351.A NZ GLU 339.A OE1 no hydrogen 2.759 N/A LYS 351.A NZ GLU 339.A OE2 no hydrogen 2.753 N/A CYS 352.A N VAL 348.A O no hydrogen 3.146 N/A