Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uwn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A NE1 GLU 247.A OE2 no hydrogen 2.880 N/A SER 7.A N SER 4.A OG no hydrogen 3.266 N/A TYR 8.A N SER 4.A O no hydrogen 3.006 N/A TYR 8.A OH ASP 275.A OD2 no hydrogen 2.622 N/A LEU 9.A N TRP 5.A O no hydrogen 2.847 N/A GLU 10.A N GLU 6.A O no hydrogen 3.428 N/A GLU 11.A N SER 7.A O no hydrogen 3.119 N/A GLN 12.A N TYR 8.A O no hydrogen 2.797 N/A GLN 12.A NE2 GLU 11.A OE2 no hydrogen 2.762 N/A LYS 13.A N GLU 10.A O no hydrogen 3.284 N/A LYS 13.A NZ GLU 10.A O no hydrogen 2.747 N/A ALA 14.A N LEU 9.A O no hydrogen 3.039 N/A ALA 17.A N LYS 245.A O no hydrogen 2.811 N/A LEU 21.A N PRO 18.A O no hydrogen 2.980 N/A PHE 22.A N VAL 19.A O no hydrogen 2.932 N/A GLN 23.A N GLN 26.A OE1 no hydrogen 2.727 N/A GLN 26.A N GLN 23.A O no hydrogen 2.917 N/A GLN 26.A NE2 ALA 287.A O no hydrogen 2.827 N/A GLN 26.A NE2 HIS 289.A O no hydrogen 2.766 N/A ALA 27.A N GLN 23.A O no hydrogen 3.186 N/A ALA 27.A N ASP 24.A O no hydrogen 2.985 N/A VAL 28.A N ASP 24.A O no hydrogen 2.807 N/A ASN 31.A ND2 TYR 63.A OH no hydrogen 3.092 N/A ASN 33.A ND2 GLY 62.A O no hydrogen 3.012 N/A ASN 33.A ND2 ARG 64.A O no hydrogen 3.272 N/A PHE 35.A N ASN 33.A OD1 no hydrogen 2.994 N/A GLY 38.A N VAL 57.A O no hydrogen 2.863 N/A MET 39.A N LYS 36.A O no hydrogen 3.180 N/A LYS 40.A N GLN 123.A O no hydrogen 2.919 N/A LYS 40.A NZ THR 56.A OG1 no hydrogen 2.805 N/A LYS 40.A NZ ASP 70.A OD2 no hydrogen 2.759 N/A LEU 41.A N LEU 55.A O no hydrogen 2.737 N/A GLU 42.A N HIS 88.A O no hydrogen 2.967 N/A GLY 43.A N PHE 53.A O no hydrogen 3.159 N/A ILE 44.A N ASP 86.A O no hydrogen 3.047 N/A ASP 45.A N MET 51.A O no hydrogen 3.042 N/A GLN 47.A N ASP 45.A OD2 no hydrogen 2.855 N/A HIS 48.A N ASP 45.A O no hydrogen 2.907 N/A HIS 48.A NE2 ASP 177.A OD1 no hydrogen 2.757 N/A SER 50.A OG ASP 177.A OD2 no hydrogen 2.951 N/A MET 51.A N HIS 48.A O no hydrogen 3.081 N/A TYR 52.A OH ASP 162.A OD2 no hydrogen 3.008 N/A PHE 53.A N GLY 43.A O no hydrogen 2.950 N/A LEU 55.A N LEU 41.A O no hydrogen 2.763 N/A THR 56.A N HIS 68.A O no hydrogen 2.953 N/A THR 56.A OG1 ASP 70.A OD1 no hydrogen 2.354 N/A VAL 57.A N MET 39.A O no hydrogen 2.872 N/A ALA 58.A N ARG 66.A O no hydrogen 2.704 N/A GLU 59.A N ARG 66.A O no hydrogen 3.296 N/A CYS 61.A N ARG 64.A O no hydrogen 2.989 N/A ARG 64.A N CYS 61.A O no hydrogen 2.897 N/A ARG 64.A NH1 PRO 254.A O no hydrogen 3.112 N/A ARG 64.A NH1 ALA 255.A O no hydrogen 3.393 N/A ARG 64.A NH1 HIS 303.A NE2 no hydrogen 3.125 N/A ARG 64.A NH2 PRO 254.A O no hydrogen 2.838 N/A LEU 65.A N VAL 80.A O no hydrogen 2.887 N/A ARG 66.A N GLU 59.A O no hydrogen 2.861 N/A ARG 66.A NE GLU 59.A OE1 no hydrogen 2.972 N/A ARG 66.A NH1 ASP 77.A OD1 no hydrogen 2.791 N/A ARG 66.A NH2 GLU 59.A OE1 no hydrogen 2.854 N/A LEU 67.A N PHE 78.A O no hydrogen 2.736 N/A HIS 68.A N THR 56.A O no hydrogen 2.844 N/A HIS 68.A ND1.B ASP 77.A OD2 no hydrogen 2.649 N/A HIS 68.A NE2.A TYR 72.A O no hydrogen 2.884 N/A ASP 70.A N ILE 54.A O no hydrogen 3.265 N/A TYR 72.A N PHE 69.A O no hydrogen 2.865 N/A CYS 75.A N SER 73.A OG no hydrogen 3.030 N/A CYS 75.A SG SER 73.A OG no hydrogen 3.280 N/A HIS 76.A N SER 73.A O no hydrogen 3.347 N/A ASP 77.A N GLU 74.A O no hydrogen 3.028 N/A PHE 78.A N LEU 67.A O no hydrogen 3.071 N/A VAL 80.A N LEU 65.A O no hydrogen 2.969 N/A ASN 81.A ND2 PRO 290.A O no hydrogen 2.922 N/A ALA 82.A N TYR 63.A O no hydrogen 2.834 N/A ASN 83.A ND2 SER 25.A O no hydrogen 3.058 N/A SER 84.A N ASN 81.A O no hydrogen 2.893 N/A ASP 86.A N SER 84.A OG no hydrogen 2.985 N/A HIS 88.A N GLU 42.A O no hydrogen 2.862 N/A HIS 88.A ND1 SER 132.A O no hydrogen 2.938 N/A GLY 91.A N GLU 42.A OE2 no hydrogen 2.888 N/A TRP 92.A N PRO 89.A O no hydrogen 3.068 N/A PHE 93.A N GLU 42.A OE1 no hydrogen 2.880 N/A LYS 95.A N GLY 91.A O no hydrogen 3.216 N/A THR 96.A N TRP 92.A O no hydrogen 3.111 N/A THR 96.A OG1 TRP 92.A O no hydrogen 2.681 N/A THR 96.A OG1 PHE 93.A O no hydrogen 3.549 N/A THR 96.A OG1 HIS 98.A ND1 no hydrogen 2.694 N/A HIS 98.A N PHE 93.A O no hydrogen 2.825 N/A HIS 98.A ND1 THR 96.A OG1 no hydrogen 2.694 N/A HIS 98.A NE2 ASP 162.A OD1 no hydrogen 2.506 N/A GLN 101.A N TYR 52.A O no hydrogen 2.777 N/A TYR 106.A N PRO 103.A O no hydrogen 2.980 N/A PHE 111.A N GLU 108.A O no hydrogen 3.132 N/A TRP 113.A NE1 GLU 42.A OE2 no hydrogen 2.774 N/A SER 114.A OG SER 112.A OG no hydrogen 3.225 N/A TYR 116.A N SER 112.A O no hydrogen 2.965 N/A TYR 116.A OH ASP 70.A OD2 no hydrogen 2.625 N/A LEU 117.A N TRP 113.A O no hydrogen 2.817 N/A ARG 118.A N SER 114.A O no hydrogen 3.368 N/A SER 119.A N GLN 115.A O no hydrogen 2.634 N/A SER 119.A OG.B GLN 115.A O no hydrogen 2.851 N/A SER 119.A OG.B GLN 115.A OE1 no hydrogen 2.852 N/A THR 120.A N TYR 116.A O no hydrogen 2.838 N/A THR 120.A OG1 TYR 116.A O no hydrogen 2.758 N/A ARG 121.A N ARG 118.A O no hydrogen 3.299 N/A ALA 122.A N LEU 117.A O no hydrogen 3.101 N/A ALA 125.A N LYS 40.A O no hydrogen 2.904 N/A LEU 129.A N PRO 126.A O no hydrogen 3.162 N/A PHE 130.A N LYS 127.A O no hydrogen 3.190 N/A SER 132.A OG ASP 165.A OD1 no hydrogen 2.816 N/A PHE 138.A N PRO 135.A O no hydrogen 3.229 N/A GLY 141.A N VAL 160.A O no hydrogen 2.873 N/A MET 142.A N GLN 139.A O no hydrogen 3.137 N/A LYS 143.A N SER 225.A O no hydrogen 3.063 N/A LYS 143.A NZ SER 159.A OG no hydrogen 2.620 N/A LYS 143.A NZ ASP 173.A OD1 no hydrogen 2.722 N/A LEU 144.A N ALA 158.A O no hydrogen 2.929 N/A GLU 145.A N HIS 191.A O no hydrogen 2.878 N/A ALA 146.A N CYS 156.A O no hydrogen 2.921 N/A VAL 147.A N TYR 189.A O no hydrogen 2.763 N/A ASP 148.A N LEU 154.A O no hydrogen 3.142 N/A MET 150.A N ASP 148.A OD2 no hydrogen 3.035 N/A ASN 151.A N ASP 148.A O no hydrogen 2.930 N/A LEU 154.A N ASN 151.A O no hydrogen 2.896 N/A CYS 156.A N ALA 146.A O no hydrogen 2.871 N/A VAL 157.A N THR 204.A O no hydrogen 3.018 N/A ALA 158.A N LEU 144.A O no hydrogen 2.854 N/A SER 159.A N HIS 171.A O no hydrogen 2.791 N/A SER 159.A OG ASP 173.A OD2 no hydrogen 2.380 N/A VAL 160.A N MET 142.A O no hydrogen 2.805 N/A THR 161.A N LEU 169.A O no hydrogen 3.049 N/A VAL 164.A N ARG 167.A O no hydrogen 2.885 N/A SER 166.A OG.A PRO 133.A O no hydrogen 2.963 N/A ARG 167.A N VAL 164.A O no hydrogen 3.003 N/A ARG 167.A NH1 ASP 86.A OD1 no hydrogen 3.083 N/A ARG 167.A NH2 ASP 86.A OD1 no hydrogen 2.773 N/A PHE 168.A N CYS 183.A O no hydrogen 2.948 N/A LEU 169.A N ASP 162.A O no hydrogen 2.815 N/A VAL 170.A N TYR 181.A O no hydrogen 2.873 N/A HIS 171.A N SER 159.A O no hydrogen 2.846 N/A HIS 171.A ND1 ASP 180.A OD1 no hydrogen 2.726 N/A ASN 174.A ND2 GLN 207.A O no hydrogen 2.682 N/A TRP 175.A N PHE 172.A O no hydrogen 2.927 N/A TYR 179.A N ASP 176.A O no hydrogen 3.248 N/A ASP 180.A N ASP 177.A O no hydrogen 3.267 N/A TYR 181.A N VAL 170.A O no hydrogen 3.151 N/A TYR 181.A OH VAL 147.A O no hydrogen 2.599 N/A TRP 182.A NE1 PRO 49.A O no hydrogen 3.036 N/A CYS 183.A N PHE 168.A O no hydrogen 3.018 N/A SER 186.A N ASP 184.A OD1 no hydrogen 2.912 N/A SER 186.A OG ASP 184.A OD1 no hydrogen 2.591 N/A SER 187.A N ASP 184.A O no hydrogen 3.132 N/A TYR 189.A N SER 187.A OG no hydrogen 3.044 N/A TYR 189.A OH ASP 286.A OD1 no hydrogen 2.294 N/A HIS 191.A N GLU 145.A O no hydrogen 2.765 N/A GLY 194.A N GLU 145.A OE2 no hydrogen 2.726 N/A TRP 195.A N PRO 192.A O no hydrogen 3.065 N/A CYS 196.A N GLU 145.A OE1 no hydrogen 2.867 N/A CYS 196.A SG GLU 145.A OE1 no hydrogen 3.268 N/A CYS 196.A SG PRO 202.A O no hydrogen 3.699 N/A LYS 198.A N GLY 194.A O no hydrogen 3.073 N/A GLN 199.A N TRP 195.A O no hydrogen 2.882 N/A GLN 199.A N CYS 196.A O no hydrogen 3.184 N/A GLY 200.A N GLN 197.A O no hydrogen 3.444 N/A THR 204.A N VAL 155.A O no hydrogen 2.858 N/A GLN 207.A NE2 ASN 174.A O no hydrogen 2.679 N/A TYR 209.A N PRO 206.A O no hydrogen 3.172 N/A TYR 209.A OH GLU 221.A OE1 no hydrogen 2.565 N/A TRP 215.A NE1 GLU 145.A OE2 no hydrogen 2.866 N/A TYR 218.A N CYS 214.A O no hydrogen 3.052 N/A TYR 218.A OH ASP 173.A OD1 no hydrogen 2.464 N/A LEU 219.A N TRP 215.A O no hydrogen 2.742 N/A GLU 220.A N GLU 216.A O no hydrogen 3.068 N/A GLU 221.A N LYS 217.A O no hydrogen 2.683 N/A THR 222.A N TYR 218.A O no hydrogen 3.084 N/A THR 222.A OG1 TYR 218.A O no hydrogen 2.711 N/A THR 222.A OG1 LEU 219.A O no hydrogen 3.550 N/A ALA 224.A N THR 222.A OG1 no hydrogen 3.417 N/A VAL 227.A N LYS 143.A O no hydrogen 2.758 N/A ALA 231.A N PRO 228.A O no hydrogen 3.062 N/A PHE 232.A N THR 229.A O no hydrogen 3.208 N/A LYS 233.A N PRO 185.A O no hydrogen 3.093 N/A ARG 235.A NH2 SER 186.A OG no hydrogen 3.331 N/A HIS 238.A N ASP 267.A O no hydrogen 2.904 N/A HIS 238.A NE2 ARG 269.A O no hydrogen 2.924 N/A PHE 240.A N HIS 238.A ND1 no hydrogen 3.013 N/A ASN 243.A N VAL 262.A O no hydrogen 2.927 N/A MET 244.A N LEU 241.A O no hydrogen 3.221 N/A LYS 245.A N ILE 15.A O no hydrogen 2.819 N/A LYS 245.A NZ SER 261.A OG no hydrogen 2.746 N/A LYS 245.A NZ ASP 275.A OD2 no hydrogen 2.495 N/A LEU 246.A N ALA 260.A O no hydrogen 2.896 N/A GLU 247.A N HIS 293.A O no hydrogen 2.881 N/A ALA 248.A N ARG 258.A O no hydrogen 3.067 N/A VAL 249.A N ASP 291.A O no hydrogen 3.121 N/A ASP 250.A N LEU 256.A O no hydrogen 2.922 N/A ARG 252.A N ASP 250.A OD2 no hydrogen 2.775 N/A ASN 253.A N ASP 250.A OD2 no hydrogen 3.202 N/A ALA 255.A N ASN 253.A OD1 no hydrogen 3.175 N/A LEU 256.A N ASN 253.A O no hydrogen 2.924 N/A ARG 258.A N ALA 248.A O no hydrogen 2.849 N/A ARG 258.A NE ASP 250.A OD1 no hydrogen 2.543 N/A ARG 258.A NH2 ASP 250.A OD1 no hydrogen 3.293 N/A VAL 259.A N GLN 306.A O no hydrogen 3.190 N/A ALA 260.A N LEU 246.A O no hydrogen 2.872 N/A SER 261.A N HIS 273.A O no hydrogen 2.748 N/A SER 261.A OG ASP 275.A OD1 no hydrogen 2.461 N/A VAL 262.A N MET 244.A O no hydrogen 2.914 N/A GLU 263.A N LYS 271.A O no hydrogen 2.682 N/A VAL 265.A N ASP 264.A OD2 no hydrogen 2.870 N/A GLU 266.A N ARG 269.A O no hydrogen 2.858 N/A ARG 269.A NH2 GLU 266.A OE2 no hydrogen 3.340 N/A ILE 270.A N ILE 285.A O no hydrogen 2.940 N/A LYS 271.A N ASP 264.A O no hydrogen 2.980 N/A ILE 272.A N PHE 283.A O no hydrogen 2.851 N/A HIS 273.A N SER 261.A O no hydrogen 2.863 N/A HIS 273.A ND1.B ASP 282.A OD1 no hydrogen 2.582 N/A HIS 273.A NE2.A TRP 277.A O no hydrogen 2.654 N/A ASP 275.A N VAL 259.A O no hydrogen 3.318 N/A TRP 277.A N PHE 274.A O no hydrogen 3.032 N/A SER 278.A N SER 315.A O no hydrogen 2.722 N/A HIS 279.A ND1 ASP 282.A OD2 no hydrogen 2.778 N/A GLY 280.A N SER 278.A OG no hydrogen 2.857 N/A ASP 282.A N HIS 279.A O no hydrogen 3.183 N/A PHE 283.A N ILE 272.A O no hydrogen 3.125 N/A ILE 285.A N ILE 270.A O no hydrogen 2.929 N/A ALA 287.A N HIS 268.A O no hydrogen 3.097 N/A HIS 289.A N ASP 286.A O no hydrogen 3.008 N/A ASP 291.A N HIS 289.A ND1 no hydrogen 3.119 N/A HIS 293.A N GLU 247.A O no hydrogen 3.007 N/A HIS 293.A ND1 GLN 26.A O no hydrogen 2.782 N/A GLY 296.A N GLU 247.A OE2 no hydrogen 2.912 N/A TRP 297.A N PRO 294.A O no hydrogen 3.153 N/A CYS 298.A N GLU 247.A OE1 no hydrogen 2.911 N/A CYS 298.A SG GLU 247.A OE1 no hydrogen 3.414 N/A CYS 298.A SG PRO 304.A O no hydrogen 3.855 N/A LYS 300.A N GLY 296.A O no hydrogen 2.937 N/A THR 301.A N TRP 297.A O no hydrogen 3.069 N/A THR 301.A N CYS 298.A O no hydrogen 3.339 N/A THR 301.A OG1 TRP 297.A O no hydrogen 2.610 N/A THR 301.A OG1 CYS 298.A O no hydrogen 3.449 N/A GLY 302.A N CYS 298.A O no hydrogen 2.917 N/A HIS 303.A N CYS 298.A O no hydrogen 2.967 N/A HIS 303.A ND1 PRO 304.A O no hydrogen 2.758 N/A GLN 306.A N ILE 257.A O no hydrogen 2.860 N/A LEU 309.A N ASP 275.A O no hydrogen 3.188 N/A SER 316.A OG PRO 311.A O.B no hydrogen 3.518 N/A SER 316.A OG GLU 313.A O no hydrogen 2.487 N/A ALA 317.A N GLY 276.A O no hydrogen 3.143 N/A