Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wd3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N SER 26.A O no hydrogen 2.973 N/A ARG 2.A N ASP 72.A OD2 no hydrogen 2.859 N/A ARG 2.A NE PRO 70.A O no hydrogen 2.839 N/A ILE 3.A N ASN 28.A O no hydrogen 2.809 N/A LEU 4.A N HIS 73.A O no hydrogen 2.881 N/A LEU 5.A N SER 30.A O no hydrogen 2.586 N/A ILE 6.A N VAL 75.A O no hydrogen 2.761 N/A ASN 7.A ND2 LYS 10.A O no hydrogen 2.827 N/A SER 8.A OG ASP 9.A OD1 no hydrogen 3.362 N/A ASP 9.A N SER 8.A OG no hydrogen 2.630 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.706 N/A GLN 15.A N PRO 11.A O no hydrogen 2.783 N/A PHE 16.A N GLU 12.A O no hydrogen 3.117 N/A PHE 17.A N PRO 13.A O no hydrogen 3.194 N/A GLN 18.A N ILE 14.A O no hydrogen 3.039 N/A LYS 19.A N GLN 15.A O no hydrogen 3.093 N/A ASP 20.A N PHE 16.A O no hydrogen 3.019 N/A LYS 21.A N PHE 17.A O no hydrogen 3.129 N/A LYS 21.A NZ ILE 27.A O no hydrogen 3.157 N/A LYS 21.A NZ ASP 46.A OD1 no hydrogen 2.721 N/A LYS 21.A NZ ASP 46.A OD2 no hydrogen 3.534 N/A GLU 22.A N GLN 18.A O no hydrogen 3.395 N/A THR 23.A N ASP 20.A O no hydrogen 3.380 N/A THR 23.A OG1 LYS 19.A O no hydrogen 3.198 N/A THR 23.A OG1 ASP 20.A O no hydrogen 3.305 N/A SER 26.A N ASN 24.A OD1 no hydrogen 2.847 N/A ASN 28.A N VAL 1.A O no hydrogen 2.955 N/A ILE 29.A N ASP 46.A OD1 no hydrogen 3.076 N/A SER 30.A N ILE 3.A O no hydrogen 2.764 N/A VAL 31.A N HIS 47.A O no hydrogen 2.786 N/A ILE 32.A N LEU 5.A O no hydrogen 2.836 N/A THR 33.A N TYR 49.A O no hydrogen 3.256 N/A THR 33.A OG1 ASN 7.A O no hydrogen 2.838 N/A ARG 34.A NH1 ASP 52.A O no hydrogen 3.360 N/A TYR 37.A N ARG 34.A O no hydrogen 3.168 N/A TYR 37.A OH ASP 9.A OD2 no hydrogen 3.056 N/A LEU 40.A N TYR 37.A O no hydrogen 3.020 N/A TYR 41.A N ALA 38.A O no hydrogen 3.033 N/A TYR 41.A OH SER 8.A O no hydrogen 3.063 N/A SER 42.A N ALA 38.A O no hydrogen 2.964 N/A SER 42.A OG ALA 38.A O no hydrogen 2.510 N/A TRP 44.A N TYR 41.A O no hydrogen 3.208 N/A TRP 44.A NE1 LEU 40.A O no hydrogen 2.721 N/A ALA 45.A N TYR 41.A O no hydrogen 2.843 N/A HIS 47.A N ILE 29.A O no hydrogen 3.171 N/A TYR 49.A N VAL 31.A O no hydrogen 2.747 N/A VAL 51.A N THR 33.A O no hydrogen 2.716 N/A THR 55.A N ASP 53.A OD1 no hydrogen 3.356 N/A THR 55.A OG1 ASP 53.A OD1 no hydrogen 3.476 N/A VAL 59.A N ASP 56.A OD1 no hydrogen 3.280 N/A SER 61.A N THR 58.A O no hydrogen 3.182 N/A SER 61.A OG THR 58.A O no hydrogen 3.223 N/A LEU 62.A N VAL 59.A O no hydrogen 2.893 N/A GLU 64.A N SER 61.A O no hydrogen 3.413 N/A ILE 65.A N LEU 62.A O no hydrogen 2.974 N/A LYS 67.A N LEU 63.A O no hydrogen 3.242 N/A LYS 67.A NZ GLU 64.A OE1 no hydrogen 2.914 N/A LYS 67.A NZ GLU 64.A OE2 no hydrogen 3.027 N/A VAL 68.A N ILE 65.A O no hydrogen 3.065 N/A GLY 69.A N ILE 65.A O no hydrogen 3.271 N/A ASP 72.A N ARG 2.A O no hydrogen 2.955 N/A VAL 75.A N LEU 4.A O no hydrogen 2.699 N/A THR 77.A N ILE 6.A O no hydrogen 3.348 N/A THR 77.A OG1 ASN 7.A OD1 no hydrogen 2.586 N/A THR 78.A N SER 81.A OG no hydrogen 3.221 N/A THR 78.A OG1 SER 81.A OG no hydrogen 2.811 N/A SER 81.A N THR 78.A O no hydrogen 3.301 N/A SER 81.A OG THR 78.A O no hydrogen 2.555 N/A SER 81.A OG THR 78.A OG1 no hydrogen 2.811 N/A ILE 82.A N GLU 79.A O no hydrogen 3.402 N/A THR 84.A OG1 VAL 54.A O no hydrogen 2.575 N/A GLY 85.A N SER 81.A O no hydrogen 2.649 N/A GLY 86.A N ILE 82.A O no hydrogen 2.969 N/A PHE 87.A N LEU 83.A O no hydrogen 2.936 N/A LEU 88.A N THR 84.A O no hydrogen 2.976 N/A ARG 89.A N GLY 85.A O no hydrogen 3.088 N/A ARG 89.A NH1 PRO 97.A O no hydrogen 3.386 N/A ARG 89.A NH2 ILE 74.A O no hydrogen 2.522 N/A SER 90.A N GLY 86.A O no hydrogen 3.285 N/A SER 90.A OG GLY 86.A O no hydrogen 3.243 N/A TYR 91.A N PHE 87.A O no hydrogen 3.056 N/A PHE 92.A N LEU 88.A O no hydrogen 3.116 N/A ILE 94.A N ARG 89.A O no hydrogen 2.843 N/A PHE 99.A N SER 90.A OG no hydrogen 2.966 N/A THR 101.A OG1 PHE 241.A O no hydrogen 3.155 N/A ALA 102.A N GLY 98.A O no hydrogen 3.110 N/A LEU 103.A N PHE 99.A O no hydrogen 2.605 N/A TYR 104.A N GLU 100.A O no hydrogen 2.984 N/A THR 105.A OG1 ALA 102.A O no hydrogen 2.565 N/A THR 105.A OG1 LEU 103.A O no hydrogen 3.175 N/A ASN 106.A N LEU 103.A O no hydrogen 2.895 N/A LYS 107.A N ALA 147.A O no hydrogen 2.711 N/A LYS 107.A NZ PRO 146.A O no hydrogen 3.049 N/A LYS 107.A NZ GLY 149.A O no hydrogen 2.239 N/A LEU 108.A N ASN 106.A OD1 no hydrogen 2.954 N/A LYS 110.A NZ GLY 263.A O no hydrogen 2.121 N/A THR 111.A N LEU 108.A O no hydrogen 3.059 N/A THR 111.A OG1 LEU 108.A O no hydrogen 2.577 N/A LYS 112.A N ALA 109.A O no hydrogen 3.177 N/A LYS 112.A NZ GLU 115.A OE2 no hydrogen 2.305 N/A LYS 114.A N LYS 110.A O no hydrogen 3.222 N/A GLY 116.A N LEU 113.A O no hydrogen 3.181 N/A ILE 117.A N LEU 113.A O no hydrogen 3.030 N/A LEU 123.A N ALA 185.A O no hydrogen 3.033 N/A SER 126.A OG ASP 130.A OD2 no hydrogen 3.460 N/A GLN 127.A NE2 ASP 130.A OD2 no hydrogen 2.690 N/A VAL 128.A N ASN 180.A OD1 no hydrogen 3.299 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.685 N/A ASP 130.A N GLN 127.A O no hydrogen 2.983 N/A ILE 131.A N VAL 128.A O no hydrogen 3.266 N/A ALA 134.A N ASP 130.A O no hydrogen 2.894 N/A GLY 135.A N ILE 131.A O no hydrogen 2.581 N/A GLU 136.A N PRO 132.A O no hydrogen 3.295 N/A GLY 139.A N GLY 135.A O no hydrogen 3.067 N/A ILE 142.A N ILE 158.A O no hydrogen 2.933 N/A ILE 143.A N GLU 186.A O no hydrogen 2.686 N/A VAL 144.A N PHE 156.A O no hydrogen 3.080 N/A LYS 145.A N ILE 184.A O no hydrogen 3.279 N/A ALA 147.A N LEU 183.A O no hydrogen 2.899 N/A GLY 149.A N THR 105.A O no hydrogen 3.327 N/A ALA 152.A N SER 150.A O no hydrogen 2.842 N/A ASN 154.A N GLY 151.A O no hydrogen 3.321 N/A THR 155.A OG1 GLY 151.A O no hydrogen 2.652 N/A PHE 156.A N VAL 144.A O no hydrogen 3.121 N/A ILE 158.A N ILE 142.A O no hydrogen 3.191 N/A HIS 159.A N HIS 163.A ND1 no hydrogen 3.161 N/A HIS 163.A N SER 160.A OG no hydrogen 3.146 N/A TYR 164.A N SER 160.A O no hydrogen 3.148 N/A TYR 164.A OH VAL 128.A O no hydrogen 2.965 N/A GLU 165.A N LEU 161.A O no hydrogen 2.904 N/A LEU 167.A N HIS 163.A O no hydrogen 2.993 N/A TYR 168.A N TYR 164.A O no hydrogen 2.623 N/A TYR 168.A OH GLU 129.A OE2 no hydrogen 3.181 N/A SER 169.A OG GLU 165.A O no hydrogen 2.619 N/A THR 170.A N ASP 166.A O no hydrogen 2.672 N/A THR 170.A OG1 ASP 166.A O no hydrogen 2.351 N/A GLY 173.A N THR 170.A O no hydrogen 3.068 N/A GLY 175.A N GLY 172.A O no hydrogen 3.166 N/A LEU 177.A N LEU 174.A O no hydrogen 3.146 N/A LYS 178.A NZ TYR 168.A O no hydrogen 2.953 N/A LYS 179.A N GLU 176.A O no hydrogen 3.347 N/A LYS 179.A NZ GLY 175.A O no hydrogen 2.687 N/A ASN 180.A N LEU 177.A O no hydrogen 2.999 N/A ASN 180.A ND2 GLU 129.A OE1 no hydrogen 3.555 N/A SER 182.A OG LEU 183.A O no hydrogen 3.485 N/A ILE 184.A N LYS 145.A O no hydrogen 2.905 N/A ALA 185.A N LEU 123.A O no hydrogen 3.059 N/A GLU 186.A N ILE 143.A O no hydrogen 3.221 N/A LYS 187.A NZ TRP 140.A O no hydrogen 2.859 N/A CYS 188.A N PRO 141.A O no hydrogen 3.455 N/A PHE 193.A N ILE 252.A O no hydrogen 2.602 N/A HIS 194.A N SER 210.A O no hydrogen 3.224 N/A HIS 194.A ND1 ASP 196.A OD1 no hydrogen 2.878 N/A HIS 194.A NE2 SER 217.A OG no hydrogen 3.263 N/A CYS 195.A N LEU 250.A O no hydrogen 2.681 N/A CYS 195.A SG GLN 234.A OE1 no hydrogen 3.713 N/A ASP 196.A N SER 208.A O no hydrogen 2.936 N/A THR 197.A N GLY 248.A O no hydrogen 2.982 N/A LEU 198.A N PHE 206.A O no hydrogen 2.940 N/A TYR 199.A N GLY 246.A O no hydrogen 2.890 N/A ALA 200.A N GLU 203.A O no hydrogen 2.931 N/A ASP 201.A N ASP 245.A OD2 no hydrogen 3.010 N/A GLY 202.A N THR 244.A O no hydrogen 2.840 N/A GLU 203.A N ALA 200.A O no hydrogen 3.050 N/A LEU 205.A N LEU 198.A O no hydrogen 2.821 N/A PHE 206.A N LEU 198.A O no hydrogen 3.482 N/A SER 208.A N ASP 196.A O no hydrogen 2.975 N/A SER 208.A OG ASP 196.A O no hydrogen 3.553 N/A SER 210.A N HIS 194.A O no hydrogen 3.040 N/A LYS 211.A N PHE 218.A O no hydrogen 2.999 N/A LYS 211.A NZ GLU 191.A OE2 no hydrogen 2.959 N/A TYR 212.A N GLU 192.A O no hydrogen 3.037 N/A THR 213.A N GLY 216.A O no hydrogen 2.525 N/A THR 213.A OG1 GLY 216.A O no hydrogen 2.788 N/A GLN 215.A N SER 312.A O no hydrogen 3.363 N/A SER 217.A N TYR 310.A O no hydrogen 3.217 N/A SER 217.A OG HIS 194.A NE2 no hydrogen 3.263 N/A PHE 218.A N LYS 211.A O no hydrogen 3.055 N/A ILE 219.A N VAL 308.A O no hydrogen 2.846 N/A LEU 220.A N ILE 209.A O no hydrogen 2.694 N/A ASN 223.A N SER 221.A OG no hydrogen 3.256 N/A ASP 224.A N SER 221.A O no hydrogen 3.186 N/A VAL 226.A N ASP 224.A OD1 no hydrogen 3.110 N/A TYR 227.A N ASP 224.A O no hydrogen 3.001 N/A GLU 229.A N VAL 226.A O no hydrogen 3.230 N/A ILE 230.A N VAL 226.A O no hydrogen 3.061 N/A LEU 231.A N TYR 227.A O no hydrogen 2.996 N/A GLU 232.A N ALA 228.A O no hydrogen 3.271 N/A LEU 233.A N GLU 229.A O no hydrogen 3.226 N/A GLN 234.A N ILE 230.A O no hydrogen 2.836 N/A GLN 234.A NE2 TYR 199.A OH no hydrogen 2.985 N/A LYS 235.A N LEU 231.A O no hydrogen 2.977 N/A SER 236.A N GLU 232.A O no hydrogen 3.015 N/A SER 236.A OG GLU 232.A O no hydrogen 3.014 N/A VAL 237.A N LEU 233.A O no hydrogen 3.031 N/A ALA 238.A N GLN 234.A O no hydrogen 2.978 N/A GLN 239.A N LYS 235.A O no hydrogen 3.077 N/A ALA 240.A N SER 236.A O no hydrogen 2.977 N/A PHE 241.A N VAL 237.A O no hydrogen 2.861 N/A ARG 242.A N GLN 239.A O no hydrogen 3.358 N/A ILE 243.A N ALA 238.A O no hydrogen 2.811 N/A THR 244.A OG1 ASP 245.A OD1 no hydrogen 2.873 N/A GLY 246.A N TYR 199.A O no hydrogen 3.089 N/A GLY 248.A N THR 197.A O no hydrogen 2.944 N/A HIS 249.A N ALA 266.A O no hydrogen 2.788 N/A HIS 249.A ND1 ASP 196.A OD2 no hydrogen 2.802 N/A LEU 250.A N CYS 195.A O no hydrogen 2.985 N/A GLU 251.A N GLU 264.A O no hydrogen 2.774 N/A ILE 252.A N PHE 193.A O no hydrogen 2.734 N/A TYR 253.A N ILE 261.A O no hydrogen 2.931 N/A ARG 254.A N GLU 191.A O no hydrogen 2.897 N/A THR 255.A N GLU 259.A O no hydrogen 2.778 N/A THR 255.A OG1 GLU 259.A O no hydrogen 3.417 N/A GLY 258.A N THR 255.A O no hydrogen 2.769 N/A GLU 259.A N THR 255.A OG1 no hydrogen 2.765 N/A ILE 261.A N TYR 253.A O no hydrogen 2.946 N/A VAL 262.A N PRO 118.A O no hydrogen 3.054 N/A GLY 263.A N GLU 251.A O no hydrogen 2.902 N/A ALA 266.A N HIS 249.A O no hydrogen 2.998 N/A ILE 273.A N GLY 270.A O no hydrogen 3.402 N/A GLU 277.A N SER 274.A O no hydrogen 3.203 N/A LYS 278.A N ARG 275.A O no hydrogen 3.173 N/A LYS 278.A NZ GLU 337.A OE1 no hydrogen 2.973 N/A LYS 279.A NZ ILE 304.A O no hydrogen 3.304 N/A PHE 280.A N ILE 276.A O no hydrogen 2.958 N/A GLU 286.A N SER 283.A OG no hydrogen 3.356 N/A SER 287.A N SER 283.A O no hydrogen 3.006 N/A SER 287.A OG SER 283.A O no hydrogen 3.010 N/A SER 288.A N LEU 284.A O no hydrogen 2.994 N/A SER 288.A OG LEU 284.A O no hydrogen 2.722 N/A SER 288.A OG TRP 285.A O no hydrogen 3.240 N/A LEU 289.A N TRP 285.A O no hydrogen 3.022 N/A ASN 290.A N GLU 286.A O no hydrogen 3.352 N/A ILE 291.A N SER 287.A O no hydrogen 3.065 N/A SER 292.A N SER 288.A O no hydrogen 2.974 N/A SER 292.A OG LEU 289.A O no hydrogen 2.521 N/A TYR 294.A N ILE 291.A O no hydrogen 3.094 N/A ARG 295.A N ASN 290.A O no hydrogen 2.614 N/A ARG 295.A NH1 ASP 20.A OD1 no hydrogen 3.407 N/A ARG 295.A NH2 ASP 20.A OD1 no hydrogen 3.313 N/A ARG 295.A NH2 ASP 20.A OD2 no hydrogen 2.629 N/A ASN 302.A N PHE 280.A O no hydrogen 2.999 N/A ILE 304.A N LYS 279.A O no hydrogen 2.977 N/A THR 307.A N LEU 357.A O no hydrogen 2.380 N/A GLY 309.A N PHE 355.A O no hydrogen 3.342 N/A TYR 310.A N SER 217.A O no hydrogen 2.879 N/A PHE 311.A N LEU 353.A O no hydrogen 2.848 N/A SER 312.A N GLN 215.A O no hydrogen 2.774 N/A SER 312.A OG GLN 215.A O no hydrogen 3.354 N/A LEU 313.A N ALA 351.A O no hydrogen 2.952 N/A ILE 320.A N ASP 346.A O no hydrogen 2.654 N/A LYS 321.A N HIS 377.A O no hydrogen 3.122 N/A GLU 322.A N HIS 377.A O no hydrogen 3.243 N/A THR 324.A OG1 THR 373.A O no hydrogen 2.739 N/A GLU 328.A N PRO 325.A O no hydrogen 3.233 N/A TRP 329.A N ILE 326.A O no hydrogen 3.020 N/A GLU 330.A N ILE 326.A O no hydrogen 3.015 N/A LYS 331.A N GLU 327.A O no hydrogen 3.130 N/A LEU 332.A N TRP 329.A O no hydrogen 2.985 N/A LEU 336.A N TYR 354.A O no hydrogen 2.696 N/A GLU 337.A N TYR 354.A O no hydrogen 3.350 N/A GLU 339.A N ARG 352.A O no hydrogen 2.968 N/A LEU 341.A N LEU 350.A O no hydrogen 2.997 N/A GLN 343.A N ASP 346.A OD2 no hydrogen 2.644 N/A VAL 348.A N GLY 318.A O no hydrogen 2.735 N/A LEU 350.A N LEU 313.A O no hydrogen 2.477 N/A ARG 352.A N GLU 339.A O no hydrogen 2.949 N/A ARG 352.A NE GLU 339.A OE1 no hydrogen 3.131 N/A ARG 352.A NH1 ASP 349.A OD2 no hydrogen 3.532 N/A LEU 353.A N PHE 311.A O no hydrogen 2.751 N/A TYR 354.A N GLU 337.A O no hydrogen 3.047 N/A TYR 354.A OH GLU 339.A OE1 no hydrogen 2.665 N/A PHE 355.A N GLY 309.A O no hydrogen 2.981 N/A CYS 356.A N GLY 334.A O no hydrogen 2.510 N/A CYS 356.A SG GLU 305.A O no hydrogen 3.543 N/A LEU 357.A N THR 307.A O no hydrogen 2.800 N/A GLU 358.A N GLU 362.A OE1 no hydrogen 3.357 N/A GLU 362.A N ASN 359.A OD1 no hydrogen 3.151 N/A VAL 363.A N GLU 360.A O no hydrogen 3.195 N/A LEU 366.A N GLU 362.A O no hydrogen 2.637 N/A LEU 367.A N VAL 363.A O no hydrogen 2.879 N/A LEU 369.A N HIS 365.A O no hydrogen 3.305 N/A VAL 370.A N LEU 366.A O no hydrogen 2.957 N/A LYS 371.A N LEU 367.A O no hydrogen 2.790 N/A GLN 372.A N ALA 368.A O no hydrogen 2.893 N/A THR 373.A N LEU 369.A O no hydrogen 2.979 N/A THR 373.A OG1 LEU 369.A O no hydrogen 3.205 N/A TYR 375.A N THR 324.A OG1 no hydrogen 3.255 N/A HIS 377.A N GLU 322.A O no hydrogen 3.028 N/A