Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wuh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ARG 22.A O no hydrogen 2.844 N/A TYR 3.A OH GLU 313.A OE2 no hydrogen 2.516 N/A LYS 4.A N ASP 68.A OD1 no hydrogen 2.935 N/A VAL 5.A N LEU 20.A O no hydrogen 2.944 N/A LEU 6.A N LEU 69.A O no hydrogen 2.802 N/A ALA 7.A N SER 18.A O no hydrogen 2.840 N/A ILE 8.A N CYS 71.A O no hydrogen 2.801 N/A GLU 9.A N CYS 16.A O no hydrogen 2.860 N/A THR 10.A OG1 THR 10.A O no hydrogen 2.492 N/A THR 10.A OG1 SER 81.A O no hydrogen 2.425 N/A SER 11.A N GLU 9.A OE1 no hydrogen 3.274 N/A SER 11.A N GLU 9.A OE2 no hydrogen 3.354 N/A SER 11.A OG GLU 9.A OE1 no hydrogen 3.347 N/A SER 11.A OG GLU 9.A OE2 no hydrogen 2.395 N/A SER 11.A OG HIS 105.A ND1 no hydrogen 3.159 N/A CYS 12.A SG GLU 9.A OE1 no hydrogen 3.490 N/A CYS 12.A SG ASP 14.A O no hydrogen 3.243 N/A THR 15.A N ASP 37.A O no hydrogen 3.068 N/A THR 15.A OG1 HIS 46.A ND1 no hydrogen 2.497 N/A CYS 16.A N GLU 9.A O no hydrogen 3.028 N/A CYS 16.A SG ASP 14.A O no hydrogen 3.889 N/A CYS 16.A SG ASP 299.A O no hydrogen 3.683 N/A VAL 17.A N LEU 35.A O no hydrogen 3.063 N/A SER 18.A N ALA 7.A O no hydrogen 2.854 N/A SER 18.A OG SER 301.A OG no hydrogen 2.517 N/A VAL 19.A N ALA 33.A O no hydrogen 2.828 N/A LEU 20.A N VAL 5.A O no hydrogen 2.821 N/A ASP 21.A N ASN 30.A O no hydrogen 2.555 N/A ARG 22.A NE GLU 313.A OE2 no hydrogen 3.299 N/A ARG 22.A NH1 ASN 118.A OD1 no hydrogen 3.128 N/A ARG 22.A NH2 ASN 118.A OD1 no hydrogen 2.999 N/A SER 26.A N SER 24.A OG no hydrogen 3.213 N/A ASN 30.A N ASP 21.A O no hydrogen 3.083 N/A LEU 32.A N VAL 19.A O no hydrogen 2.766 N/A ALA 33.A N VAL 19.A O no hydrogen 3.446 N/A ASN 34.A ND2 SER 18.A OG no hydrogen 2.550 N/A LEU 35.A N VAL 17.A O no hydrogen 2.910 N/A LYS 36.A NZ ASP 299.A O no hydrogen 2.880 N/A ASP 37.A N THR 15.A O no hydrogen 2.830 N/A LEU 39.A N ASP 14.A OD1 no hydrogen 3.107 N/A HIS 45.A N LYS 41.A O no hydrogen 2.941 N/A HIS 45.A NE2 ASP 37.A O no hydrogen 2.731 N/A HIS 46.A ND1 THR 15.A OG1 no hydrogen 2.497 N/A HIS 46.A NE2 CYS 12.A O no hydrogen 2.768 N/A GLN 47.A N HIS 43.A O no hydrogen 3.240 N/A ALA 48.A N ILE 44.A O no hydrogen 2.853 N/A ARG 49.A N HIS 46.A O no hydrogen 3.141 N/A ILE 50.A N HIS 46.A O no hydrogen 2.767 N/A LEU 53.A N ARG 49.A O no hydrogen 3.304 N/A THR 54.A N ILE 50.A O no hydrogen 3.360 N/A THR 54.A OG1 ILE 50.A O no hydrogen 3.347 N/A THR 54.A OG1 GLY 51.A O no hydrogen 2.947 N/A GLU 55.A N GLY 51.A O no hydrogen 3.237 N/A ARG 56.A N PRO 52.A O no hydrogen 3.012 N/A ARG 56.A NE GLU 60.A OE2 no hydrogen 3.529 N/A ALA 57.A N LEU 53.A O no hydrogen 2.809 N/A LEU 58.A N THR 54.A O no hydrogen 2.768 N/A ILE 59.A N GLU 55.A O no hydrogen 3.170 N/A GLU 60.A N ARG 56.A O no hydrogen 3.032 N/A SER 61.A N ALA 57.A O no hydrogen 2.757 N/A SER 61.A OG ALA 57.A O no hydrogen 2.837 N/A SER 61.A OG LEU 58.A O no hydrogen 3.203 N/A ASN 62.A N ILE 59.A O no hydrogen 3.228 N/A ASN 62.A ND2 ASN 62.A O no hydrogen 2.673 N/A ALA 63.A N LEU 58.A O no hydrogen 3.306 N/A ASP 68.A N LYS 4.A O no hydrogen 2.718 N/A LEU 69.A N LYS 4.A O no hydrogen 3.235 N/A ILE 70.A N PRO 99.A O no hydrogen 3.251 N/A CYS 71.A N LEU 6.A O no hydrogen 2.803 N/A CYS 71.A SG GLY 305.A O no hydrogen 4.042 N/A VAL 72.A N ILE 101.A O no hydrogen 3.201 N/A THR 73.A N ILE 8.A O no hydrogen 3.164 N/A THR 73.A OG1 GLU 9.A OE2 no hydrogen 3.050 N/A ARG 74.A N VAL 103.A O no hydrogen 2.826 N/A ARG 74.A NE CYS 324.A O no hydrogen 2.873 N/A ARG 74.A NH1 ASP 338.A O no hydrogen 2.972 N/A ARG 74.A NH2 ASP 338.A O no hydrogen 2.329 N/A GLY 77.A N ARG 327.A O no hydrogen 3.386 N/A LEU 82.A N MET 78.A O no hydrogen 2.882 N/A SER 83.A N PRO 79.A O no hydrogen 3.032 N/A SER 83.A OG PRO 79.A O no hydrogen 2.558 N/A LEU 86.A N LEU 82.A O no hydrogen 2.979 N/A ASP 87.A N SER 83.A O no hydrogen 2.792 N/A ALA 89.A N GLY 85.A O no hydrogen 2.897 N/A LYS 90.A N LEU 86.A O no hydrogen 3.024 N/A LYS 90.A NZ ILE 323.A O no hydrogen 2.809 N/A GLY 91.A N ASP 87.A O no hydrogen 3.208 N/A LEU 92.A N PHE 88.A O no hydrogen 3.194 N/A ALA 93.A N ALA 89.A O no hydrogen 2.911 N/A VAL 94.A N LYS 90.A O no hydrogen 2.813 N/A ALA 95.A N GLY 91.A O no hydrogen 3.004 N/A TRP 96.A N LEU 92.A O no hydrogen 3.024 N/A ASN 97.A N VAL 94.A O no hydrogen 3.272 N/A LYS 98.A N ALA 93.A O no hydrogen 2.908 N/A ILE 101.A N ILE 70.A O no hydrogen 2.930 N/A GLY 102.A N SER 319.A OG no hydrogen 2.757 N/A VAL 103.A N VAL 72.A O no hydrogen 2.733 N/A HIS 104.A NE2 TRP 329.A O no hydrogen 2.848 N/A HIS 105.A N GLY 75.A O no hydrogen 2.696 N/A HIS 105.A ND1 GLU 9.A OE2 no hydrogen 2.987 N/A MET 106.A N HIS 104.A ND1 no hydrogen 3.043 N/A GLY 108.A N HIS 105.A O no hydrogen 3.122 N/A LEU 110.A N MET 106.A O no hydrogen 3.155 N/A LEU 111.A N LEU 107.A O no hydrogen 2.998 N/A ILE 112.A N GLY 108.A O no hydrogen 3.117 N/A ARG 114.A N LEU 111.A O no hydrogen 2.999 N/A ARG 114.A NE PRO 122.A O no hydrogen 3.096 N/A ARG 114.A NH1 GLU 310.A OE2 no hydrogen 2.626 N/A THR 117.A N ARG 114.A O no hydrogen 2.804 N/A THR 117.A OG1 ARG 114.A O no hydrogen 3.382 N/A THR 117.A OG1 VAL 121.A O no hydrogen 2.837 N/A ASN 118.A N MET 115.A O no hydrogen 3.162 N/A ASN 118.A ND2 LYS 25.A O no hydrogen 2.974 N/A LYS 120.A N THR 117.A O no hydrogen 2.956 N/A VAL 121.A N THR 117.A OG1 no hydrogen 2.952 N/A GLN 123.A N GLU 265.A OE2 no hydrogen 2.856 N/A GLN 123.A NE2 GLY 119.A O no hydrogen 2.759 N/A PHE 124.A N GLN 123.A OE1 no hydrogen 3.021 N/A PHE 126.A N SER 141.A O no hydrogen 3.226 N/A VAL 127.A N GLU 265.A O no hydrogen 3.435 N/A SER 128.A N VAL 139.A O no hydrogen 2.897 N/A SER 128.A OG VAL 139.A O no hydrogen 3.547 N/A LEU 129.A N VAL 267.A O no hydrogen 2.546 N/A LEU 130.A N THR 137.A O no hydrogen 2.895 N/A VAL 131.A N SER 269.A O no hydrogen 2.920 N/A SER 132.A N HIS 135.A O no hydrogen 2.795 N/A GLY 134.A N SER 132.A OG no hydrogen 3.173 N/A HIS 135.A N SER 132.A OG no hydrogen 2.905 N/A THR 137.A N LEU 130.A O no hydrogen 3.023 N/A THR 137.A OG1 ASP 152.A OD1 no hydrogen 2.922 N/A PHE 138.A N CYS 151.A O no hydrogen 2.711 N/A VAL 139.A N SER 128.A O no hydrogen 2.905 N/A LEU 140.A N GLU 148.A O no hydrogen 2.652 N/A SER 141.A N PHE 126.A O no hydrogen 2.961 N/A SER 141.A OG HIS 147.A ND1 no hydrogen 3.056 N/A ARG 142.A N ASP 146.A O no hydrogen 2.860 N/A ARG 142.A NE ASP 146.A OD1 no hydrogen 3.113 N/A ARG 142.A NE ASP 146.A OD2 no hydrogen 3.000 N/A ARG 142.A NH1 GLU 148.A OE1 no hydrogen 2.496 N/A ARG 142.A NH2 ASP 146.A OD1 no hydrogen 2.699 N/A ARG 142.A NH2 GLU 148.A OE1 no hydrogen 3.289 N/A ALA 143.A N ASP 146.A O no hydrogen 3.125 N/A HIS 147.A ND1 SER 141.A OG no hydrogen 3.056 N/A HIS 147.A NE2 ILE 144.A O no hydrogen 3.068 N/A GLU 148.A N LEU 140.A O no hydrogen 2.717 N/A LEU 150.A N PHE 138.A O no hydrogen 2.805 N/A CYS 151.A N PHE 138.A O no hydrogen 3.327 N/A THR 153.A OG1 ILE 156.A O no hydrogen 2.639 N/A ILE 154.A N PHE 206.A O no hydrogen 3.087 N/A ILE 156.A N ASP 155.A OD1 no hydrogen 2.569 N/A VAL 158.A N THR 136.A OG1 no hydrogen 2.799 N/A GLY 159.A N SER 132.A O no hydrogen 2.932 N/A SER 161.A N ALA 157.A O no hydrogen 3.102 N/A SER 161.A OG PHE 208.A O no hydrogen 3.092 N/A LEU 162.A N VAL 158.A O no hydrogen 2.891 N/A ASP 163.A N GLY 159.A O no hydrogen 3.124 N/A LYS 164.A N ASP 160.A O no hydrogen 3.237 N/A CYS 165.A N SER 161.A O no hydrogen 2.962 N/A CYS 165.A SG SER 161.A O no hydrogen 3.298 N/A GLY 166.A N LEU 162.A O no hydrogen 2.719 N/A ARG 167.A N ASP 163.A O no hydrogen 2.848 N/A GLU 168.A N CYS 165.A O no hydrogen 3.384 N/A PHE 171.A N GLY 166.A O no hydrogen 2.363 N/A ALA 177.A N ASP 163.A OD1 no hydrogen 2.825 N/A MET 180.A N ILE 176.A O no hydrogen 2.949 N/A GLU 181.A N ALA 177.A O no hydrogen 3.261 N/A LYS 182.A N GLU 179.A O no hydrogen 3.173 N/A PHE 183.A N GLU 179.A O no hydrogen 3.499 N/A ASN 185.A N LYS 182.A O no hydrogen 2.884 N/A GLN 186.A N LYS 182.A O no hydrogen 2.797 N/A ILE 188.A N ASN 185.A O no hydrogen 3.096 N/A GLN 191.A N ASP 187.A O no hydrogen 3.033 N/A ALA 194.A N ASP 192.A O no hydrogen 2.660 N/A ASN 202.A ND2 ASN 202.A O no hydrogen 2.854 N/A SER 205.A OG MET 203.A O no hydrogen 3.378 N/A PHE 206.A N ASP 152.A O no hydrogen 3.018 N/A SER 207.A N HIS 244.A NE2 no hydrogen 3.250 N/A SER 207.A OG ASP 155.A OD2 no hydrogen 2.807 N/A PHE 208.A N ASP 155.A OD1 no hydrogen 3.000 N/A SER 209.A N ASP 155.A OD2 no hydrogen 3.275 N/A ALA 214.A N ALA 210.A O no hydrogen 2.775 N/A LEU 215.A N PHE 211.A O no hydrogen 2.961 N/A ARG 216.A N ILE 212.A O no hydrogen 3.103 N/A ARG 216.A NE GLU 168.A OE2 no hydrogen 2.889 N/A THR 217.A N THR 213.A O no hydrogen 3.158 N/A THR 217.A OG1 THR 213.A O no hydrogen 3.279 N/A THR 217.A OG1 ALA 214.A O no hydrogen 2.889 N/A ASN 218.A N LEU 215.A O no hydrogen 3.227 N/A ASN 218.A ND2 GLU 198.A O no hydrogen 2.457 N/A LEU 219.A N LEU 215.A O no hydrogen 3.260 N/A LYS 221.A N ASN 218.A O no hydrogen 3.275 N/A ARG 228.A N GLU 227.A OE1 no hydrogen 2.969 N/A GLU 229.A N PRO 226.A O no hydrogen 2.820 N/A ILE 230.A N PRO 226.A O no hydrogen 2.851 N/A ARG 231.A N GLU 227.A O no hydrogen 3.060 N/A SER 232.A OG ASP 192.A O no hydrogen 3.345 N/A ILE 233.A N GLU 229.A O no hydrogen 2.942 N/A ALA 234.A N ILE 230.A O no hydrogen 3.065 N/A TYR 235.A N ARG 231.A O no hydrogen 3.372 N/A GLN 236.A N SER 232.A O no hydrogen 3.397 N/A GLN 236.A NE2 LEU 195.A O no hydrogen 2.459 N/A VAL 237.A N ILE 233.A O no hydrogen 3.044 N/A GLN 238.A N ALA 234.A O no hydrogen 3.293 N/A GLU 239.A N TYR 235.A O no hydrogen 3.000 N/A SER 240.A N GLN 236.A O no hydrogen 3.195 N/A VAL 241.A N VAL 237.A O no hydrogen 3.145 N/A PHE 242.A N GLN 238.A O no hydrogen 3.027 N/A ASP 243.A N GLU 239.A O no hydrogen 2.765 N/A HIS 244.A N SER 240.A O no hydrogen 3.098 N/A ILE 245.A N VAL 241.A O no hydrogen 3.449 N/A ILE 246.A N PHE 242.A O no hydrogen 3.069 N/A ASN 247.A N ASP 243.A O no hydrogen 3.033 N/A LYS 248.A N HIS 244.A O no hydrogen 3.157 N/A LEU 249.A N ILE 245.A O no hydrogen 2.895 N/A LYS 250.A N ILE 246.A O no hydrogen 2.942 N/A HIS 251.A N ASN 247.A O no hydrogen 3.164 N/A VAL 252.A N LYS 248.A O no hydrogen 3.068 N/A LEU 253.A N LEU 249.A O no hydrogen 3.009 N/A LYS 254.A N LYS 250.A O no hydrogen 3.002 N/A SER 255.A N HIS 251.A O no hydrogen 2.933 N/A SER 255.A N VAL 252.A O no hydrogen 3.278 N/A SER 255.A OG HIS 251.A O no hydrogen 3.250 N/A SER 255.A OG VAL 252.A O no hydrogen 2.966 N/A GLN 256.A N VAL 252.A O no hydrogen 3.194 N/A GLN 256.A NE2 SER 255.A O no hydrogen 3.041 N/A LYS 259.A N GLN 256.A O no hydrogen 3.325 N/A LYS 259.A NZ GLU 148.A OE1 no hydrogen 2.967 N/A LYS 259.A NZ GLU 148.A OE2 no hydrogen 3.049 N/A PHE 260.A N PRO 257.A O no hydrogen 3.299 N/A PHE 266.A N ASN 288.A O no hydrogen 2.454 N/A VAL 267.A N VAL 127.A O no hydrogen 2.913 N/A CYS 268.A N TYR 290.A O no hydrogen 3.165 N/A CYS 268.A SG LEU 129.A O no hydrogen 3.915 N/A SER 269.A N LEU 129.A O no hydrogen 3.052 N/A VAL 272.A N VAL 131.A O no hydrogen 2.967 N/A SER 273.A N GLY 270.A O no hydrogen 3.125 N/A SER 273.A OG GLY 270.A O no hydrogen 2.288 N/A SER 274.A N GLY 271.A O no hydrogen 3.490 N/A SER 274.A OG GLY 271.A O no hydrogen 2.984 N/A ASN 275.A N VAL 272.A O no hydrogen 2.894 N/A ASN 275.A ND2 GLN 238.A OE1 no hydrogen 3.303 N/A GLN 276.A N GLU 181.A OE2 no hydrogen 3.200 N/A GLN 276.A NE2 THR 280.A OG1 no hydrogen 2.716 N/A ARG 277.A NE GLU 239.A OE1 no hydrogen 2.394 N/A LEU 278.A N ASN 275.A OD1 no hydrogen 2.579 N/A ARG 279.A N ASN 275.A O no hydrogen 2.952 N/A ARG 279.A NE SER 273.A O no hydrogen 2.752 N/A THR 280.A N GLN 276.A O no hydrogen 2.830 N/A THR 280.A OG1 GLN 276.A O no hydrogen 2.599 N/A LYS 281.A N ARG 277.A O no hydrogen 3.015 N/A LYS 281.A NZ GLU 239.A O no hydrogen 3.418 N/A LYS 281.A NZ GLU 239.A OE2 no hydrogen 2.817 N/A LYS 281.A NZ ASP 243.A OD1 no hydrogen 2.336 N/A LEU 282.A N LEU 278.A O no hydrogen 3.133 N/A GLU 283.A N ARG 279.A O no hydrogen 3.391 N/A THR 284.A N THR 280.A O no hydrogen 2.914 N/A THR 284.A OG1 THR 280.A O no hydrogen 2.730 N/A GLU 285.A N LYS 281.A O no hydrogen 2.916 N/A ASN 288.A N ARG 264.A O no hydrogen 2.585 N/A TYR 290.A N PHE 266.A O no hydrogen 2.760 N/A TYR 291.A OH ARG 279.A O no hydrogen 2.980 N/A TYR 291.A OH GLU 283.A OE2 no hydrogen 3.128 N/A CYS 297.A N PRO 293.A O no hydrogen 3.276 N/A CYS 297.A SG GLY 270.A O no hydrogen 3.221 N/A CYS 297.A SG PRO 293.A O no hydrogen 3.489 N/A CYS 297.A SG MET 294.A O no hydrogen 3.248 N/A ASN 300.A ND2 LEU 296.A O no hydrogen 2.941 N/A ASN 300.A ND2 SER 298.A O no hydrogen 2.503 N/A SER 301.A OG SER 18.A OG no hydrogen 2.517 N/A MET 303.A N ASN 300.A OD1 no hydrogen 3.210 N/A GLY 305.A N SER 301.A O no hydrogen 2.924 N/A TRP 306.A N ILE 302.A O no hydrogen 2.931 N/A ALA 307.A N MET 303.A O no hydrogen 3.053 N/A GLY 308.A N ILE 304.A O no hydrogen 3.065 N/A ILE 309.A N GLY 305.A O no hydrogen 3.045 N/A GLU 310.A N TRP 306.A O no hydrogen 2.908 N/A ILE 311.A N ALA 307.A O no hydrogen 3.094 N/A TRP 312.A N GLY 308.A O no hydrogen 2.977 N/A TRP 312.A NE1 ASP 343.A OD2 no hydrogen 2.998 N/A GLU 313.A N ILE 309.A O no hydrogen 3.196 N/A SER 314.A N GLU 310.A O no hydrogen 2.959 N/A SER 314.A OG GLU 310.A O no hydrogen 3.324 N/A LEU 315.A N ILE 311.A O no hydrogen 3.236 N/A LEU 317.A N ILE 311.A O no hydrogen 3.239 N/A VAL 318.A N ARG 341.A O no hydrogen 2.572 N/A SER 319.A N LEU 100.A O no hydrogen 2.752 N/A ASP 320.A N GLY 339.A O no hydrogen 3.094 N/A ILE 323.A N ASP 320.A O no hydrogen 3.437 N/A CYS 324.A SG ASP 322.A O no hydrogen 3.605 N/A ILE 326.A N ARG 74.A O no hydrogen 3.013 N/A TRP 329.A NE1 ASP 333.A O no hydrogen 2.936 N/A ASP 333.A N PRO 330.A O no hydrogen 2.770 N/A TRP 340.A NE1 LEU 334.A O no hydrogen 2.885 N/A ARG 341.A N VAL 318.A O no hydrogen 2.682 N/A ARG 341.A NH1 ASP 320.A OD1 no hydrogen 3.183 N/A ASP 343.A N ARG 316.A O no hydrogen 2.942 N/A