Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pqw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 GLU 251.A OE2 no hydrogen 2.817 N/A SER 5.A N SER 2.A OG no hydrogen 3.149 N/A SER 5.A OG SER 2.A OG no hydrogen 3.342 N/A TYR 6.A N SER 2.A O no hydrogen 3.101 N/A TYR 6.A OH ASP 279.A OD2 no hydrogen 2.710 N/A LEU 7.A N TRP 3.A O no hydrogen 2.691 N/A GLU 8.A N GLU 4.A O no hydrogen 2.999 N/A GLU 9.A N SER 5.A O no hydrogen 2.848 N/A GLN 10.A N TYR 6.A O no hydrogen 2.721 N/A ALA 12.A N LEU 7.A O no hydrogen 3.085 N/A ALA 15.A N LYS 249.A O no hydrogen 2.816 N/A LEU 19.A N PRO 16.A O no hydrogen 2.815 N/A PHE 20.A N VAL 17.A O no hydrogen 3.158 N/A GLN 21.A N GLN 24.A OE1 no hydrogen 2.728 N/A GLN 24.A N GLN 21.A O no hydrogen 3.032 N/A GLN 24.A NE2 ALA 291.A O no hydrogen 2.838 N/A GLN 24.A NE2 HIS 293.A O no hydrogen 2.791 N/A ALA 25.A N GLN 21.A O no hydrogen 3.188 N/A ALA 25.A N ASP 22.A O no hydrogen 3.136 N/A VAL 26.A N ASP 22.A O no hydrogen 2.866 N/A ASN 29.A ND2 TYR 61.A OH no hydrogen 3.246 N/A ASN 31.A ND2 GLY 60.A O no hydrogen 2.829 N/A ASN 31.A ND2 ARG 62.A O no hydrogen 3.460 N/A PHE 33.A N ASN 31.A OD1 no hydrogen 3.075 N/A GLY 36.A N VAL 55.A O no hydrogen 2.813 N/A MET 37.A N LYS 34.A O no hydrogen 3.126 N/A LYS 38.A N GLN 121.A O no hydrogen 2.914 N/A LYS 38.A NZ THR 54.A OG1 no hydrogen 2.813 N/A LYS 38.A NZ ASP 68.A OD2 no hydrogen 2.714 N/A LEU 39.A N LEU 53.A O no hydrogen 2.865 N/A GLU 40.A N HIS 86.A O no hydrogen 2.916 N/A GLY 41.A N PHE 51.A O no hydrogen 2.979 N/A ILE 42.A N ASP 84.A O no hydrogen 3.049 N/A ASP 43.A N MET 49.A O no hydrogen 3.056 N/A GLN 45.A N ASP 43.A OD1 no hydrogen 2.979 N/A HIS 46.A N ASP 43.A O no hydrogen 2.965 N/A HIS 46.A ND1 ASP 43.A OD2 no hydrogen 3.234 N/A SER 48.A N ASP 179.A OD1 no hydrogen 3.341 N/A SER 48.A OG ASP 179.A OD1 no hydrogen 2.480 N/A MET 49.A N HIS 46.A O no hydrogen 2.947 N/A TYR 50.A OH ASP 164.A OD2 no hydrogen 2.786 N/A PHE 51.A N GLY 41.A O no hydrogen 2.923 N/A LEU 53.A N LEU 39.A O no hydrogen 2.885 N/A THR 54.A N HIS 66.A O no hydrogen 3.003 N/A THR 54.A OG1 ASP 68.A OD1 no hydrogen 2.556 N/A THR 54.A OG1 ASP 68.A OD2 no hydrogen 3.333 N/A VAL 55.A N MET 37.A O no hydrogen 2.851 N/A ALA 56.A N ARG 64.A O no hydrogen 2.734 N/A CYS 59.A N ARG 62.A O no hydrogen 2.980 N/A ARG 62.A N CYS 59.A O no hydrogen 2.987 N/A ARG 62.A NH1 PRO 258.A O no hydrogen 3.051 N/A ARG 62.A NH1 HIS 307.A NE2 no hydrogen 3.194 N/A ARG 62.A NH2 PRO 258.A O no hydrogen 2.758 N/A LEU 63.A N VAL 78.A O no hydrogen 2.911 N/A ARG 64.A N GLU 57.A O no hydrogen 2.789 N/A ARG 64.A NE GLU 57.A OE1 no hydrogen 2.806 N/A ARG 64.A NH1 GLU 57.A OE1 no hydrogen 2.912 N/A ARG 64.A NH2 ASP 75.A OD2 no hydrogen 2.824 N/A LEU 65.A N PHE 76.A O no hydrogen 2.782 N/A HIS 66.A N THR 54.A O no hydrogen 2.939 N/A HIS 66.A ND1 ASP 75.A OD1 no hydrogen 2.785 N/A ASP 68.A N ILE 52.A O no hydrogen 3.220 N/A TYR 70.A N PHE 67.A O no hydrogen 2.914 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.880 N/A CYS 73.A N SER 71.A OG no hydrogen 3.203 N/A CYS 73.A SG SER 71.A OG no hydrogen 3.363 N/A HIS 74.A N SER 71.A O no hydrogen 3.152 N/A ASP 75.A N GLU 72.A O no hydrogen 3.257 N/A PHE 76.A N LEU 65.A O no hydrogen 3.096 N/A VAL 78.A N LEU 63.A O no hydrogen 3.015 N/A ALA 80.A N TYR 61.A O no hydrogen 2.801 N/A ASN 81.A ND2 SER 23.A O no hydrogen 3.099 N/A SER 82.A N ASN 79.A O no hydrogen 3.001 N/A ASP 84.A N SER 82.A OG no hydrogen 2.965 N/A HIS 86.A N GLU 40.A O no hydrogen 2.731 N/A HIS 86.A ND1 SER 130.A O no hydrogen 2.804 N/A GLY 89.A N GLU 40.A OE2 no hydrogen 2.637 N/A TRP 90.A N PRO 87.A O no hydrogen 3.162 N/A TRP 90.A NE1 SER 132.A OG no hydrogen 2.867 N/A PHE 91.A N GLU 40.A OE1 no hydrogen 2.933 N/A GLU 92.A N.B GLY 89.A O no hydrogen 3.238 N/A LYS 93.A N GLY 89.A O no hydrogen 3.424 N/A THR 94.A N PHE 91.A O no hydrogen 3.464 N/A THR 94.A OG1 TRP 90.A O no hydrogen 2.628 N/A HIS 96.A N PHE 91.A O no hydrogen 2.928 N/A GLN 99.A N TYR 50.A O no hydrogen 2.734 N/A TYR 104.A N PRO 101.A O no hydrogen 2.994 N/A GLU 108.A N LYS 105.A O no hydrogen 3.198 N/A TRP 111.A NE1 GLU 40.A OE2 no hydrogen 2.685 N/A GLN 113.A N SER 110.A OG no hydrogen 3.220 N/A TYR 114.A N SER 110.A O no hydrogen 2.837 N/A TYR 114.A OH ASP 68.A OD2 no hydrogen 2.592 N/A LEU 115.A N TRP 111.A O no hydrogen 2.841 N/A ARG 116.A N SER 112.A O no hydrogen 3.194 N/A SER 117.A N GLN 113.A O no hydrogen 3.001 N/A SER 117.A OG GLN 113.A O no hydrogen 3.105 N/A THR 118.A N TYR 114.A O no hydrogen 2.941 N/A THR 118.A OG1 TYR 114.A O no hydrogen 2.742 N/A ARG 119.A NE ARG 116.A O no hydrogen 2.743 N/A ALA 120.A N THR 118.A OG1 no hydrogen 3.328 N/A ALA 123.A N LYS 38.A O no hydrogen 2.865 N/A LEU 127.A N PRO 124.A O no hydrogen 3.286 N/A PHE 128.A N LYS 125.A O no hydrogen 3.175 N/A SER 130.A OG PRO 83.A O no hydrogen 3.491 N/A SER 130.A OG ASP 167.A OD2 no hydrogen 2.703 N/A GLN 131.A NE2 PHE 128.A O no hydrogen 3.080 N/A SER 132.A N ASP 167.A OD2 no hydrogen 2.935 N/A SER 134.A N ASP 167.A OD1 no hydrogen 2.750 N/A PHE 140.A N PRO 137.A O no hydrogen 3.047 N/A GLY 143.A N VAL 162.A O no hydrogen 2.764 N/A MET 144.A N GLN 141.A O no hydrogen 3.188 N/A LYS 145.A N SER 229.A O no hydrogen 2.973 N/A LYS 145.A NZ SER 161.A OG no hydrogen 2.819 N/A LYS 145.A NZ ASP 175.A OD2 no hydrogen 2.670 N/A LEU 146.A N ALA 160.A O no hydrogen 3.057 N/A GLU 147.A N HIS 193.A O no hydrogen 2.907 N/A ALA 148.A N CYS 158.A O no hydrogen 2.966 N/A VAL 149.A N TYR 191.A O no hydrogen 2.850 N/A ASP 150.A N LEU 156.A O no hydrogen 2.922 N/A MET 152.A N ASP 150.A OD1 no hydrogen 3.093 N/A ASN 153.A N ASP 150.A O no hydrogen 2.924 N/A ASN 153.A ND2 ASP 150.A OD2 no hydrogen 2.914 N/A LEU 156.A N ASN 153.A O no hydrogen 2.880 N/A CYS 158.A N ALA 148.A O no hydrogen 2.807 N/A CYS 158.A SG ALA 148.A O no hydrogen 3.916 N/A VAL 159.A N THR 206.A O no hydrogen 2.984 N/A ALA 160.A N LEU 146.A O no hydrogen 2.972 N/A SER 161.A N HIS 173.A O no hydrogen 2.863 N/A SER 161.A OG ASP 175.A OD1 no hydrogen 2.592 N/A VAL 162.A N MET 144.A O no hydrogen 2.863 N/A THR 163.A N LEU 171.A O no hydrogen 2.936 N/A VAL 166.A N ARG 169.A O no hydrogen 2.984 N/A ARG 169.A N VAL 166.A O no hydrogen 3.033 N/A ARG 169.A NH1 ASP 84.A OD1 no hydrogen 2.970 N/A ARG 169.A NH2 ASP 84.A OD1 no hydrogen 3.289 N/A PHE 170.A N CYS 185.A O no hydrogen 2.993 N/A LEU 171.A N ASP 164.A O no hydrogen 2.864 N/A VAL 172.A N TYR 183.A O no hydrogen 2.916 N/A HIS 173.A N SER 161.A O no hydrogen 2.786 N/A HIS 173.A ND1 ASP 182.A OD1 no hydrogen 2.894 N/A ASP 175.A N VAL 159.A O no hydrogen 3.465 N/A ASN 176.A ND2 GLN 209.A O no hydrogen 2.789 N/A TRP 177.A N PHE 174.A O no hydrogen 3.037 N/A THR 180.A OG1 ASP 178.A OD1 no hydrogen 2.850 N/A THR 180.A OG1 ASP 178.A OD2 no hydrogen 3.470 N/A ASP 182.A N ASP 179.A O no hydrogen 2.902 N/A TYR 183.A N VAL 172.A O no hydrogen 3.158 N/A TYR 183.A OH VAL 149.A O no hydrogen 2.620 N/A TRP 184.A NE1 PRO 47.A O no hydrogen 2.880 N/A CYS 185.A N PHE 170.A O no hydrogen 2.898 N/A SER 188.A N ASP 186.A OD1 no hydrogen 2.884 N/A SER 188.A OG ASP 186.A OD1 no hydrogen 2.874 N/A SER 189.A N ASP 186.A O no hydrogen 3.081 N/A TYR 191.A N SER 189.A OG no hydrogen 3.231 N/A TYR 191.A OH ASP 290.A OD1 no hydrogen 3.008 N/A HIS 193.A N GLU 147.A O no hydrogen 2.786 N/A GLY 196.A N GLU 147.A OE2 no hydrogen 2.891 N/A TRP 197.A N PRO 194.A O no hydrogen 3.022 N/A CYS 198.A N GLU 147.A OE1 no hydrogen 2.750 N/A CYS 198.A SG GLU 147.A OE1 no hydrogen 3.434 N/A CYS 198.A SG PRO 204.A O no hydrogen 3.828 N/A LYS 200.A N GLY 196.A O no hydrogen 3.344 N/A GLN 201.A N TRP 197.A O no hydrogen 2.908 N/A GLY 202.A N GLN 199.A O no hydrogen 3.302 N/A LYS 203.A N CYS 198.A O no hydrogen 2.757 N/A LYS 203.A NZ SER 155.A O no hydrogen 3.060 N/A THR 206.A N VAL 157.A O no hydrogen 2.878 N/A THR 206.A OG1 VAL 157.A O no hydrogen 3.550 N/A GLN 209.A NE2 ASN 176.A O no hydrogen 2.790 N/A TYR 211.A N PRO 208.A O no hydrogen 3.159 N/A TYR 211.A OH GLU 225.A OE2 no hydrogen 2.767 N/A ASN 216.A N ASP 213.A O no hydrogen 3.008 N/A ASN 216.A ND2 ASP 213.A OD1 no hydrogen 3.187 N/A ASN 216.A ND2 ASP 213.A OD2 no hydrogen 2.815 N/A PHE 217.A N PRO 214.A O no hydrogen 3.369 N/A TRP 219.A NE1 GLU 147.A OE2 no hydrogen 2.858 N/A LYS 221.A NZ GLU 224.A OE1 no hydrogen 3.153 N/A TYR 222.A N CYS 218.A O no hydrogen 3.025 N/A TYR 222.A OH ASP 175.A OD2 no hydrogen 2.644 N/A LEU 223.A N TRP 219.A O no hydrogen 2.822 N/A GLU 224.A N GLU 220.A O no hydrogen 3.173 N/A GLU 225.A N LYS 221.A O no hydrogen 2.934 N/A THR 226.A N TYR 222.A O no hydrogen 3.037 N/A THR 226.A OG1 TYR 222.A O no hydrogen 2.788 N/A THR 226.A OG1 LEU 223.A O no hydrogen 3.552 N/A GLY 227.A N GLU 224.A O no hydrogen 3.293 N/A ALA 228.A N LEU 223.A O no hydrogen 2.945 N/A VAL 231.A N LYS 145.A O no hydrogen 2.857 N/A ALA 235.A N PRO 232.A O no hydrogen 3.135 N/A PHE 236.A N THR 233.A O no hydrogen 3.305 N/A LYS 237.A N PRO 187.A O no hydrogen 2.973 N/A LYS 237.A NZ TRP 234.A O no hydrogen 3.024 N/A ARG 239.A NE SER 188.A OG no hydrogen 3.018 N/A ARG 239.A NH2 ASP 186.A OD1 no hydrogen 3.131 N/A ARG 239.A NH2 SER 188.A OG no hydrogen 3.180 N/A HIS 242.A N ASP 271.A O no hydrogen 3.056 N/A HIS 242.A NE2 ARG 273.A O no hydrogen 2.898 N/A PHE 244.A N HIS 242.A ND1 no hydrogen 3.141 N/A ASN 247.A N VAL 266.A O no hydrogen 2.698 N/A MET 248.A N LEU 245.A O no hydrogen 3.226 N/A LYS 249.A N ILE 13.A O no hydrogen 2.577 N/A LYS 249.A NZ ASP 279.A OD2 no hydrogen 2.937 N/A LEU 250.A N ALA 264.A O no hydrogen 3.027 N/A GLU 251.A N HIS 297.A O no hydrogen 2.816 N/A ALA 252.A N ARG 262.A O no hydrogen 3.025 N/A VAL 253.A N ASP 295.A O no hydrogen 3.101 N/A ASP 254.A N LEU 260.A O no hydrogen 2.797 N/A ARG 256.A N ASP 254.A OD1 no hydrogen 2.817 N/A ALA 259.A N ASN 257.A OD1 no hydrogen 3.270 N/A LEU 260.A N ASN 257.A O no hydrogen 2.798 N/A ARG 262.A N ALA 252.A O no hydrogen 2.913 N/A ARG 262.A NE ASP 254.A OD2 no hydrogen 2.720 N/A ARG 262.A NH2 ASP 254.A OD2 no hydrogen 3.189 N/A VAL 263.A N GLN 310.A O no hydrogen 3.070 N/A ALA 264.A N LEU 250.A O no hydrogen 3.063 N/A SER 265.A N HIS 277.A O no hydrogen 2.802 N/A SER 265.A OG ASP 279.A OD1 no hydrogen 2.572 N/A SER 265.A OG ASP 279.A OD2 no hydrogen 3.359 N/A VAL 266.A N MET 248.A O no hydrogen 2.874 N/A GLU 267.A N LYS 275.A O no hydrogen 2.785 N/A VAL 269.A N ASP 268.A OD1 no hydrogen 2.892 N/A GLU 270.A N ARG 273.A O no hydrogen 2.901 N/A ARG 273.A NH1 GLU 270.A OE1 no hydrogen 3.496 N/A ILE 274.A N ILE 289.A O no hydrogen 2.882 N/A LYS 275.A N ASP 268.A O no hydrogen 2.856 N/A ILE 276.A N PHE 287.A O no hydrogen 2.749 N/A HIS 277.A N SER 265.A O no hydrogen 2.916 N/A HIS 277.A ND1 ASP 286.A OD1 no hydrogen 2.700 N/A TRP 281.A N PHE 278.A O no hydrogen 2.929 N/A HIS 283.A ND1 ASP 286.A OD2 no hydrogen 2.758 N/A GLY 284.A N SER 282.A OG no hydrogen 2.952 N/A TYR 285.A N SER 282.A O no hydrogen 3.395 N/A ASP 286.A N HIS 283.A O no hydrogen 3.014 N/A PHE 287.A N ILE 276.A O no hydrogen 3.019 N/A ILE 289.A N ILE 274.A O no hydrogen 2.989 N/A ALA 291.A N HIS 272.A O no hydrogen 3.038 N/A HIS 293.A N ASP 290.A O no hydrogen 2.993 N/A HIS 297.A N GLU 251.A O no hydrogen 2.903 N/A HIS 297.A ND1 GLN 24.A O no hydrogen 2.806 N/A GLY 300.A N GLU 251.A OE2 no hydrogen 2.839 N/A TRP 301.A N PRO 298.A O no hydrogen 3.170 N/A CYS 302.A N GLU 251.A OE1 no hydrogen 2.896 N/A CYS 302.A SG GLU 251.A OE1 no hydrogen 3.379 N/A CYS 302.A SG PRO 308.A O no hydrogen 3.773 N/A LYS 304.A N GLY 300.A O no hydrogen 2.897 N/A THR 305.A N TRP 301.A O no hydrogen 2.928 N/A THR 305.A N CYS 302.A O no hydrogen 3.258 N/A THR 305.A OG1 TRP 301.A O no hydrogen 2.781 N/A THR 305.A OG1 CYS 302.A O no hydrogen 3.362 N/A GLY 306.A N CYS 302.A O no hydrogen 2.907 N/A HIS 307.A N CYS 302.A O no hydrogen 2.900 N/A HIS 307.A ND1 PRO 308.A O no hydrogen 2.836 N/A GLN 310.A N ILE 261.A O no hydrogen 2.796 N/A