Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wu2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLY 261.A O no hydrogen 3.264 N/A TYR 5.A N GLU 361.A OE2 no hydrogen 3.195 N/A TYR 5.A OH LEU 291.A O no hydrogen 2.689 N/A ALA 8.A N PRO 4.A O no hydrogen 3.024 N/A LEU 9.A N TYR 5.A O no hydrogen 2.838 N/A LYS 10.A N ARG 6.A O no hydrogen 3.248 N/A LYS 10.A NZ ASP 14.A OD2 no hydrogen 2.643 N/A LEU 11.A N GLU 7.A O no hydrogen 3.054 N/A LEU 12.A N ALA 8.A O no hydrogen 3.099 N/A LEU 13.A N LEU 9.A O no hydrogen 2.992 N/A ASP 14.A N LYS 10.A O no hydrogen 2.970 N/A ASP 15.A N LEU 12.A O no hydrogen 3.201 N/A ILE 16.A N LEU 13.A O no hydrogen 3.122 N/A GLU 23.A N VAL 171.A O no hydrogen 2.949 N/A VAL 25.A N VAL 169.A O no hydrogen 3.221 N/A LEU 27.A N LYS 167.A O no hydrogen 3.346 N/A GLU 29.A N PRO 26.A O no hydrogen 3.036 N/A ALA 30.A N LEU 27.A O no hydrogen 3.226 N/A GLY 32.A N LEU 154.A O no hydrogen 3.002 N/A ARG 33.A N ALA 30.A O no hydrogen 3.189 N/A ARG 33.A NH1 GLU 23.A OE1 no hydrogen 3.280 N/A ARG 33.A NH2 GLU 23.A OE1 no hydrogen 3.337 N/A LEU 35.A N THR 152.A O no hydrogen 3.116 N/A ALA 36.A N PRO 170.A O no hydrogen 3.241 N/A ILE 39.A N LEU 148.A O no hydrogen 2.957 N/A THR 41.A N GLU 145.A O no hydrogen 3.193 N/A THR 41.A OG1 PHE 43.A O no hydrogen 2.667 N/A PHE 43.A N THR 41.A OG1 no hydrogen 3.101 N/A ILE 45.A N VAL 141.A O no hydrogen 2.990 N/A ARG 50.A N ALA 135.A O no hydrogen 2.983 N/A ARG 50.A NH1 GLY 101.A O no hydrogen 3.513 N/A ALA 51.A N THR 102.A O no hydrogen 3.001 N/A ALA 52.A N ASN 133.A O no hydrogen 2.993 N/A GLY 55.A N VAL 98.A O no hydrogen 3.132 N/A TYR 56.A N ILE 112.A O no hydrogen 3.019 N/A ALA 57.A N ILE 96.A O no hydrogen 2.967 N/A ILE 58.A N ALA 110.A O no hydrogen 2.941 N/A ARG 59.A NH1 VAL 90.A O no hydrogen 3.254 N/A ALA 60.A N ASN 109.A OD1 no hydrogen 2.908 N/A ASP 62.A N ARG 59.A O no hydrogen 3.234 N/A THR 63.A N ALA 60.A O no hydrogen 3.224 N/A THR 63.A OG1 ALA 60.A O no hydrogen 3.034 N/A ALA 66.A N THR 63.A O no hydrogen 3.227 N/A ARG 67.A N ASN 70.A O no hydrogen 3.464 N/A ASN 70.A N ARG 67.A O no hydrogen 3.452 N/A ASN 70.A ND2 GLN 65.A O no hydrogen 2.732 N/A LEU 74.A N ILE 122.A O no hydrogen 3.243 N/A THR 75.A N GLY 93.A O no hydrogen 3.012 N/A VAL 76.A N ASP 120.A O no hydrogen 3.060 N/A ILE 77.A N ALA 95.A O no hydrogen 3.302 N/A VAL 80.A N LYS 97.A O no hydrogen 3.073 N/A ASN 84.A N PRO 81.A O no hydrogen 3.299 N/A ASN 84.A ND2 ALA 82.A O no hydrogen 3.608 N/A LYS 87.A N GLU 78.A OE2 no hydrogen 3.161 N/A GLU 88.A N GLU 78.A OE1 no hydrogen 3.175 N/A VAL 90.A N LYS 106.A O no hydrogen 2.928 N/A GLY 93.A N ASP 62.A OD2 no hydrogen 3.058 N/A LYS 94.A N THR 91.A O no hydrogen 3.260 N/A ILE 96.A N ALA 57.A O no hydrogen 3.203 N/A LYS 97.A N GLU 78.A O no hydrogen 3.050 N/A LYS 97.A NZ GLN 113.A OE1 no hydrogen 2.541 N/A VAL 98.A N GLY 55.A O no hydrogen 2.867 N/A LEU 99.A N THR 102.A OG1 no hydrogen 3.312 N/A THR 100.A N ASP 54.A OD2 no hydrogen 2.986 N/A THR 100.A OG1 ASP 54.A OD2 no hydrogen 2.710 N/A GLY 101.A N ALA 51.A O no hydrogen 2.947 N/A THR 102.A N LEU 99.A O no hydrogen 3.174 N/A THR 102.A OG1 LEU 99.A O no hydrogen 2.911 N/A ILE 104.A N ASP 49.A O no hydrogen 3.148 N/A ALA 108.A N PRO 105.A O no hydrogen 3.214 N/A ASN 109.A N ILE 58.A O no hydrogen 3.283 N/A ASN 109.A ND2 GLU 61.A OE1 no hydrogen 3.076 N/A ASN 109.A ND2 GLU 61.A OE2 no hydrogen 3.064 N/A VAL 111.A N GLN 132.A O no hydrogen 3.007 N/A ILE 112.A N TYR 56.A O no hydrogen 3.136 N/A GLU 118.A N LYS 121.A O no hydrogen 3.218 N/A LYS 121.A N GLU 118.A O no hydrogen 3.352 N/A ILE 122.A N LEU 74.A O no hydrogen 3.235 N/A TYR 123.A OH GLU 73.A OE2 no hydrogen 2.773 N/A VAL 124.A N ILE 72.A O no hydrogen 3.344 N/A VAL 128.A N THR 63.A OG1 no hydrogen 3.019 N/A ALA 129.A N GLN 132.A OE1 no hydrogen 3.185 N/A GLY 131.A N ASN 109.A O no hydrogen 2.791 N/A GLN 132.A N ALA 129.A O no hydrogen 3.199 N/A ASN 133.A ND2 VAL 111.A O no hydrogen 3.004 N/A ALA 135.A N ARG 50.A O no hydrogen 2.969 N/A THR 137.A N ASP 49.A OD1 no hydrogen 3.030 N/A THR 137.A OG1 ASP 49.A OD1 no hydrogen 3.042 N/A GLY 138.A N PRO 46.A O no hydrogen 3.086 N/A GLU 139.A N PHE 136.A O no hydrogen 3.289 N/A ASP 140.A N ILE 45.A O no hydrogen 3.077 N/A VAL 141.A N ILE 45.A O no hydrogen 3.366 N/A LYS 142.A N GLU 145.A OE1 no hydrogen 3.355 N/A LYS 143.A N ASP 44.A OD1 no hydrogen 2.877 N/A LYS 143.A NZ GLU 42.A O no hydrogen 2.690 N/A LYS 143.A NZ GLU 42.A OE1 no hydrogen 2.888 N/A GLY 144.A N THR 41.A O no hydrogen 2.923 N/A GLU 145.A N LYS 142.A O no hydrogen 3.169 N/A VAL 147.A N ILE 39.A O no hydrogen 3.060 N/A LYS 150.A N ASP 38.A OD1 no hydrogen 2.956 N/A LYS 150.A NZ GLU 18.A OE1 no hydrogen 3.486 N/A LYS 150.A NZ GLU 18.A OE2 no hydrogen 2.699 N/A GLY 151.A N LEU 35.A O no hydrogen 3.166 N/A THR 152.A N ARG 149.A O no hydrogen 3.367 N/A THR 152.A OG1 ARG 149.A O no hydrogen 2.696 N/A LEU 154.A N ARG 33.A O no hydrogen 3.058 N/A ARG 155.A N ASP 158.A OD2 no hydrogen 3.119 N/A ARG 155.A NH1 ASP 158.A OD1 no hydrogen 3.283 N/A ARG 155.A NH1 ASP 158.A OD2 no hydrogen 3.561 N/A GLN 157.A N GLN 157.A OE1 no hydrogen 3.143 N/A VAL 159.A N ARG 155.A O no hydrogen 3.071 N/A ALA 160.A N PRO 156.A O no hydrogen 3.114 N/A LYS 162.A N VAL 159.A O no hydrogen 3.161 N/A ALA 163.A N ALA 160.A O no hydrogen 2.985 N/A LEU 164.A N LEU 161.A O no hydrogen 3.255 N/A GLY 165.A N LYS 162.A O no hydrogen 3.171 N/A ILE 166.A N LEU 161.A O no hydrogen 3.028 N/A VAL 169.A N VAL 25.A O no hydrogen 2.973 N/A VAL 171.A N GLU 23.A O no hydrogen 2.982 N/A LYS 172.A N VAL 34.A O no hydrogen 2.910 N/A LYS 172.A NZ GLU 18.A OE2 no hydrogen 2.630 N/A LYS 172.A NZ ILE 19.A O no hydrogen 2.931 N/A VAL 173.A N ASP 21.A O no hydrogen 3.234 N/A VAL 177.A N GLU 217.A O no hydrogen 3.013 N/A GLY 178.A N ASP 243.A O no hydrogen 3.101 N/A ILE 179.A N ILE 219.A O no hydrogen 3.102 N/A ILE 180.A N VAL 245.A O no hydrogen 2.917 N/A ILE 181.A N GLY 222.A O no hydrogen 3.327 N/A GLY 183.A N LEU 224.A O no hydrogen 3.118 N/A SER 184.A N ASP 226.A OD1 no hydrogen 3.383 N/A SER 184.A OG ASP 226.A OD1 no hydrogen 3.330 N/A LEU 186.A N GLY 183.A O no hydrogen 3.238 N/A ILE 187.A N ILE 200.A O no hydrogen 3.134 N/A GLY 194.A N SER 191.A OG no hydrogen 3.333 N/A PHE 195.A N SER 191.A O no hydrogen 3.268 N/A LYS 196.A N GLU 192.A O no hydrogen 3.294 N/A GLU 197.A N GLY 194.A O no hydrogen 3.367 N/A GLY 198.A N PHE 195.A O no hydrogen 3.290 N/A LYS 199.A N GLY 194.A O no hydrogen 3.191 N/A ILE 200.A N GLU 185.A O no hydrogen 3.332 N/A GLU 202.A N ILE 187.A O no hydrogen 2.846 N/A ASN 204.A ND2 GLY 280.A O no hydrogen 2.642 N/A SER 205.A N GLU 202.A OE2 no hydrogen 2.998 N/A GLN 208.A N SER 205.A O no hydrogen 2.960 N/A GLY 209.A N ILE 206.A O no hydrogen 3.277 N/A VAL 211.A N LEU 207.A O no hydrogen 2.943 N/A GLU 212.A N GLN 208.A O no hydrogen 3.068 N/A LYS 213.A N GLY 209.A O no hydrogen 2.871 N/A LYS 213.A NZ TYR 377.A O no hydrogen 2.629 N/A PHE 214.A N LEU 210.A O no hydrogen 3.142 N/A PHE 214.A N VAL 211.A O no hydrogen 3.235 N/A GLY 216.A N VAL 211.A O no hydrogen 2.914 N/A GLU 217.A N PRO 175.A O no hydrogen 2.941 N/A ILE 219.A N VAL 177.A O no hydrogen 3.020 N/A TYR 221.A N ILE 179.A O no hydrogen 3.242 N/A TYR 221.A OH GLU 241.A OE1 no hydrogen 2.679 N/A TYR 221.A OH GLU 241.A OE2 no hydrogen 2.830 N/A LEU 224.A N ILE 181.A O no hydrogen 3.003 N/A ASP 226.A N SER 184.A OG no hydrogen 3.173 N/A ILE 230.A N ASP 227.A OD1 no hydrogen 3.454 N/A ILE 231.A N ASP 227.A O no hydrogen 3.036 N/A LYS 232.A N SER 229.A O no hydrogen 3.288 N/A GLU 233.A N ILE 230.A O no hydrogen 3.467 N/A THR 234.A N ILE 231.A O no hydrogen 3.175 N/A THR 234.A OG1 ILE 231.A O no hydrogen 3.074 N/A LEU 235.A N LYS 232.A O no hydrogen 3.409 N/A GLU 236.A N GLU 233.A O no hydrogen 3.114 N/A LYS 237.A N THR 234.A O no hydrogen 3.199 N/A LYS 237.A NZ GLU 233.A O no hydrogen 2.686 N/A LYS 237.A NZ GLU 233.A OE2 no hydrogen 2.398 N/A ALA 238.A N THR 234.A O no hydrogen 3.151 N/A LYS 239.A N LEU 235.A O no hydrogen 3.279 N/A ASN 240.A N GLU 236.A O no hydrogen 3.046 N/A ASN 240.A ND2 TYR 221.A OH no hydrogen 3.218 N/A GLU 241.A N LYS 237.A O no hydrogen 2.876 N/A CYS 242.A N LYS 176.A O no hydrogen 3.202 N/A ASP 243.A N LYS 176.A O no hydrogen 3.479 N/A ILE 244.A N LYS 275.A O no hydrogen 2.925 N/A VAL 245.A N GLY 178.A O no hydrogen 2.763 N/A LEU 246.A N PHE 277.A O no hydrogen 3.052 N/A ILE 247.A N ILE 180.A O no hydrogen 2.909 N/A PHE 254.A N ALA 251.A O no hydrogen 3.447 N/A ASN 256.A N GLU 274.A OE2 no hydrogen 3.273 N/A LEU 258.A N TYR 272.A O no hydrogen 3.008 N/A PHE 259.A N TYR 272.A O no hydrogen 3.518 N/A GLY 261.A N PHE 270.A O no hydrogen 3.189 N/A THR 262.A N ARG 268.A O no hydrogen 2.799 N/A THR 262.A OG1 VAL 3.A O no hydrogen 3.173 N/A THR 263.A OG1 VAL 3.A O no hydrogen 3.469 N/A THR 263.A OG1 GLY 322.A O no hydrogen 3.560 N/A LYS 265.A N TYR 324.A O no hydrogen 2.983 N/A PHE 270.A N GLY 267.A O no hydrogen 3.249 N/A GLY 271.A N ILE 278.A O no hydrogen 3.409 N/A TYR 272.A N PHE 259.A O no hydrogen 3.116 N/A TYR 272.A OH ASP 15.A OD2 no hydrogen 2.651 N/A GLY 273.A N VAL 276.A O no hydrogen 3.143 N/A LYS 275.A N TYR 272.A OH no hydrogen 3.291 N/A LYS 275.A NZ ASP 15.A O no hydrogen 2.558 N/A LYS 275.A NZ ASP 15.A OD2 no hydrogen 3.568 N/A VAL 276.A N GLY 273.A O no hydrogen 3.064 N/A PHE 277.A N ILE 244.A O no hydrogen 2.902 N/A ILE 278.A N GLY 271.A O no hydrogen 3.010 N/A SER 279.A OG SER 284.A OG no hydrogen 2.762 N/A SER 284.A OG SER 279.A OG no hydrogen 2.762 N/A VAL 285.A N TYR 281.A O no hydrogen 2.941 N/A PHE 286.A N PRO 282.A O no hydrogen 3.063 N/A ALA 287.A N VAL 283.A O no hydrogen 3.305 N/A GLN 288.A N SER 284.A O no hydrogen 3.150 N/A GLN 288.A NE2 GLY 267.A O no hydrogen 2.922 N/A PHE 289.A N VAL 285.A O no hydrogen 2.849 N/A ASN 290.A N PHE 286.A O no hydrogen 3.027 N/A ASN 290.A ND2 PHE 286.A O no hydrogen 2.946 N/A LEU 291.A N ALA 287.A O no hydrogen 3.030 N/A PHE 292.A N GLN 288.A O no hydrogen 3.126 N/A LYS 294.A N PHE 289.A O no hydrogen 2.724 N/A LYS 294.A NZ GLU 306.A OE1 no hydrogen 2.851 N/A LYS 294.A NZ TYR 356.A OH no hydrogen 2.750 N/A HIS 295.A N PHE 292.A O no hydrogen 3.193 N/A HIS 295.A ND1 TYR 305.A OH no hydrogen 2.751 N/A ALA 296.A N PHE 292.A O no hydrogen 3.132 N/A LEU 297.A N VAL 293.A O no hydrogen 2.941 N/A ALA 298.A N LYS 294.A O no hydrogen 3.185 N/A LYS 299.A N HIS 295.A O no hydrogen 3.114 N/A LYS 299.A NZ LEU 13.A O no hydrogen 2.553 N/A LYS 299.A NZ ILE 16.A O no hydrogen 2.718 N/A GLY 301.A N LYS 299.A O no hydrogen 3.353 N/A ALA 302.A N ALA 298.A O no hydrogen 2.829 N/A GLN 303.A N GLY 151.A O no hydrogen 3.032 N/A TYR 305.A OH HIS 295.A ND1 no hydrogen 2.751 N/A VAL 309.A N ILE 374.A O no hydrogen 2.988 N/A ALA 311.A N VAL 372.A O no hydrogen 3.025 N/A ILE 312.A N GLY 334.A O no hydrogen 3.171 N/A LEU 313.A N GLU 370.A O no hydrogen 3.126 N/A GLN 314.A N ALA 336.A O no hydrogen 3.010 N/A ILE 317.A N TYR 366.A O no hydrogen 2.997 N/A SER 319.A N GLU 364.A O no hydrogen 2.934 N/A SER 319.A OG ILE 317.A O no hydrogen 3.265 N/A GLY 322.A N GLU 361.A O no hydrogen 3.126 N/A ARG 323.A N GLN 320.A O no hydrogen 3.431 N/A ARG 323.A NE THR 263.A O no hydrogen 3.081 N/A ARG 323.A NH2 ILE 264.A O no hydrogen 3.189 N/A TYR 324.A N THR 263.A O no hydrogen 3.152 N/A TYR 324.A OH GLU 358.A OE1 no hydrogen 2.744 N/A GLU 325.A N ILE 359.A O no hydrogen 3.016 N/A PHE 326.A N LYS 265.A O no hydrogen 3.026 N/A ILE 327.A N LEU 357.A O no hydrogen 2.999 N/A ILE 329.A N ALA 355.A O no hydrogen 3.078 N/A TYR 330.A N ARG 337.A O no hydrogen 2.869 N/A GLU 332.A N ILE 335.A O no hydrogen 3.185 N/A ILE 335.A N GLU 332.A O no hydrogen 3.220 N/A ALA 336.A N ILE 312.A O no hydrogen 2.969 N/A ARG 337.A N TYR 330.A O no hydrogen 3.032 N/A VAL 338.A N ASP 315.A OD2 no hydrogen 3.400 N/A ILE 339.A N LYS 328.A O no hydrogen 3.129 N/A LYS 340.A NZ VAL 338.A O no hydrogen 3.041 N/A SER 344.A OG SER 344.A O no hydrogen 2.482 N/A SER 349.A OG ILE 346.A O no hydrogen 3.457 N/A LEU 351.A N LEU 347.A O no hydrogen 3.399 N/A ALA 352.A N SER 348.A O no hydrogen 3.081 N/A SER 353.A OG SER 349.A O no hydrogen 3.030 N/A SER 353.A OG LEU 350.A O no hydrogen 3.019 N/A SER 353.A OG TYR 377.A OH no hydrogen 2.663 N/A ASN 354.A N ILE 329.A O no hydrogen 2.708 N/A ASN 354.A ND2 TYR 331.A O no hydrogen 2.855 N/A TYR 356.A N THR 375.A O no hydrogen 2.953 N/A LEU 357.A N ILE 327.A O no hydrogen 2.882 N/A ILE 359.A N GLU 325.A O no hydrogen 3.164 N/A GLU 361.A N GLU 361.A OE1 no hydrogen 2.952 N/A SER 363.A N PRO 360.A O no hydrogen 3.365 N/A GLY 365.A N SER 363.A OG no hydrogen 3.176 N/A TYR 366.A N ILE 317.A O no hydrogen 3.257 N/A ARG 367.A N GLU 370.A OE2 no hydrogen 3.137 N/A ARG 368.A N ASP 316.A OD2 no hydrogen 2.980 N/A GLY 369.A N LEU 313.A O no hydrogen 3.007 N/A GLU 370.A N ARG 367.A O no hydrogen 3.315 N/A VAL 372.A N ALA 311.A O no hydrogen 2.866 N/A ILE 374.A N VAL 309.A O no hydrogen 3.092 N/A THR 375.A N TYR 356.A O no hydrogen 2.889 N/A LEU 376.A N VAL 307.A O no hydrogen 3.176 N/A TYR 377.A N ASN 354.A O no hydrogen 3.133 N/A TYR 377.A OH SER 353.A OG no hydrogen 2.663 N/A TYR 377.A OH ALA 355.A O no hydrogen 3.201 N/A