Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vqu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG GLU 1.A O no hydrogen 3.371 N/A CYS 2.A SG TYR 10.A O no hydrogen 3.900 N/A ILE 3.A N TYR 10.A O no hydrogen 2.799 N/A VAL 5.A N ARG 8.A O no hydrogen 2.750 N/A LYS 6.A N GLU 76.A OE2 no hydrogen 2.614 N/A ARG 8.A N VAL 5.A O no hydrogen 2.904 N/A TYR 10.A N ILE 3.A O no hydrogen 2.839 N/A SER 11.A N LEU 28.A O no hydrogen 2.841 N/A SER 11.A OG LEU 28.A O no hydrogen 3.495 N/A ILE 12.A N GLU 1.A O no hydrogen 3.271 N/A LEU 13.A N GLN 26.A O no hydrogen 2.632 N/A LYS 14.A N GLN 26.A O no hydrogen 3.172 N/A GLN 15.A NE2 ASP 158.A OD2 no hydrogen 3.253 N/A ILE 16.A N VAL 24.A O no hydrogen 2.710 N/A GLY 17.A N VAL 24.A O no hydrogen 3.203 N/A SER 18.A N GLN 156.A O no hydrogen 3.219 N/A LYS 23.A N TYR 39.A O no hydrogen 2.722 N/A VAL 24.A N GLY 17.A O no hydrogen 2.917 N/A PHE 25.A N ILE 37.A O no hydrogen 2.808 N/A GLN 26.A N LYS 14.A O no hydrogen 2.571 N/A VAL 27.A N TYR 35.A O no hydrogen 3.009 N/A LEU 28.A N SER 11.A O no hydrogen 3.137 N/A ASN 29.A N GLN 33.A O no hydrogen 3.003 N/A ASN 29.A ND2 GLN 33.A OE1 no hydrogen 2.976 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.565 N/A LYS 32.A N ASN 29.A O no hydrogen 2.744 N/A GLN 33.A N ASN 29.A OD1 no hydrogen 2.582 N/A TYR 35.A N VAL 27.A O no hydrogen 3.027 N/A ALA 36.A N MET 86.A O no hydrogen 2.748 N/A ILE 37.A N PHE 25.A O no hydrogen 3.025 N/A LYS 38.A N MET 84.A O no hydrogen 2.950 N/A TYR 39.A N LYS 23.A O no hydrogen 2.663 N/A VAL 40.A N ILE 82.A O no hydrogen 2.923 N/A ASN 41.A N SER 21.A O no hydrogen 2.620 N/A LEU 42.A N GLN 80.A O no hydrogen 2.862 N/A GLU 43.A N ASN 41.A OD1 no hydrogen 3.165 N/A LEU 49.A N ASP 45.A O no hydrogen 3.121 N/A ASP 50.A N ASN 46.A O no hydrogen 3.215 N/A SER 51.A N GLN 47.A O no hydrogen 3.034 N/A SER 51.A OG THR 48.A O no hydrogen 2.870 N/A ARG 53.A N LEU 49.A O no hydrogen 3.147 N/A ASN 54.A N ASP 50.A O no hydrogen 2.938 N/A GLU 55.A N SER 51.A O no hydrogen 3.256 N/A ILE 56.A N TYR 52.A O no hydrogen 3.009 N/A ALA 57.A N ARG 53.A O no hydrogen 3.166 N/A TYR 58.A N ASN 54.A O no hydrogen 3.039 N/A LEU 59.A N GLU 55.A O no hydrogen 2.875 N/A ASN 60.A N ILE 56.A O no hydrogen 3.028 N/A LYS 61.A N ALA 57.A O no hydrogen 2.896 N/A LYS 61.A NZ HIS 125.A ND1 no hydrogen 3.366 N/A LEU 62.A N TYR 58.A O no hydrogen 2.658 N/A GLN 63.A N ASN 60.A O no hydrogen 3.275 N/A HIS 65.A N LEU 62.A O no hydrogen 3.328 N/A SER 66.A OG GLU 117.A OE2 no hydrogen 2.880 N/A LYS 68.A N SER 66.A OG no hydrogen 3.254 N/A LYS 68.A NZ GLU 117.A OE1 no hydrogen 2.657 N/A LYS 68.A NZ GLU 117.A OE2 no hydrogen 3.486 N/A ILE 70.A N LEU 146.A O no hydrogen 2.938 N/A ARG 71.A NH1 GLN 63.A O no hydrogen 2.957 N/A ARG 71.A NH1 ILE 69.A O no hydrogen 2.996 N/A ARG 71.A NH2 GLN 63.A O no hydrogen 3.202 N/A LEU 72.A N GLN 63.A OE1 no hydrogen 2.601 N/A TYR 73.A N VAL 85.A O no hydrogen 2.959 N/A ASP 74.A N VAL 85.A O no hydrogen 3.305 N/A GLU 76.A N TYR 83.A O no hydrogen 2.643 N/A THR 78.A N TYR 81.A O no hydrogen 2.960 N/A GLN 80.A N THR 78.A OG1 no hydrogen 2.901 N/A TYR 81.A N THR 78.A OG1 no hydrogen 3.119 N/A TYR 81.A OH GLU 76.A OE1 no hydrogen 2.715 N/A ILE 82.A N VAL 40.A O no hydrogen 2.943 N/A TYR 83.A N GLU 76.A O no hydrogen 2.706 N/A MET 84.A N LYS 38.A O no hydrogen 3.013 N/A VAL 85.A N ASP 74.A O no hydrogen 2.796 N/A MET 86.A N ALA 36.A O no hydrogen 2.872 N/A GLU 87.A N ARG 71.A O no hydrogen 2.871 N/A CYS 88.A SG TYR 35.A O no hydrogen 3.826 N/A ASN 90.A N ILE 139.A O no hydrogen 2.604 N/A ILE 91.A N ILE 139.A O no hydrogen 3.463 N/A LEU 93.A N PHE 137.A O no hydrogen 2.784 N/A SER 95.A N ASP 92.A OD1 no hydrogen 3.300 N/A SER 95.A OG ASP 92.A OD2 no hydrogen 2.620 N/A TRP 96.A N ASP 92.A O no hydrogen 3.197 N/A LEU 97.A N LEU 93.A O no hydrogen 2.932 N/A LYS 100.A N TRP 96.A O no hydrogen 3.300 N/A ARG 108.A N ASP 104.A O no hydrogen 2.872 N/A ARG 108.A NH1 MET 190.A O no hydrogen 3.321 N/A ARG 108.A NH2 GLU 224.A OE1 no hydrogen 2.931 N/A LYS 109.A N PRO 105.A O no hydrogen 3.096 N/A SER 110.A N TRP 106.A O no hydrogen 2.953 N/A TYR 111.A N GLU 107.A O no hydrogen 2.864 N/A TRP 112.A N ARG 108.A O no hydrogen 2.981 N/A LYS 113.A N LYS 109.A O no hydrogen 3.165 N/A ASN 114.A N SER 110.A O no hydrogen 3.192 N/A MET 115.A N TYR 111.A O no hydrogen 3.005 N/A LEU 116.A N TRP 112.A O no hydrogen 3.006 N/A GLU 117.A N LYS 113.A O no hydrogen 3.017 N/A ALA 118.A N ASN 114.A O no hydrogen 3.013 N/A VAL 119.A N MET 115.A O no hydrogen 3.004 N/A HIS 120.A N LEU 116.A O no hydrogen 2.917 N/A THR 121.A N GLU 117.A O no hydrogen 3.031 N/A THR 121.A OG1 GLU 117.A O no hydrogen 2.863 N/A ILE 122.A N ALA 118.A O no hydrogen 3.269 N/A HIS 123.A N VAL 119.A O no hydrogen 3.079 N/A HIS 123.A NE2 ASP 179.A OD2 no hydrogen 2.509 N/A GLN 124.A N HIS 120.A O no hydrogen 3.119 N/A HIS 125.A N ILE 122.A O no hydrogen 3.373 N/A GLY 126.A N HIS 123.A O no hydrogen 3.153 N/A ILE 127.A N ILE 122.A O no hydrogen 2.836 N/A HIS 129.A N ASP 179.A OD2 no hydrogen 3.242 N/A HIS 129.A NE2 ASP 148.A OD1 no hydrogen 3.115 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.143 N/A ASN 136.A N LYS 133.A O no hydrogen 3.067 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.973 N/A ASN 136.A ND2 LYS 133.A O no hydrogen 3.477 N/A PHE 137.A N PRO 134.A O no hydrogen 3.070 N/A LEU 138.A N LYS 145.A O no hydrogen 2.880 N/A ILE 139.A N ILE 91.A O no hydrogen 2.686 N/A VAL 140.A N MET 143.A O no hydrogen 2.791 N/A LYS 145.A N LEU 138.A O no hydrogen 2.996 N/A LYS 145.A NZ ASP 67.A O no hydrogen 3.539 N/A LYS 145.A NZ GLU 87.A OE1 no hydrogen 3.364 N/A LYS 145.A NZ GLU 87.A OE2 no hydrogen 3.211 N/A LEU 146.A N LYS 68.A O no hydrogen 2.748 N/A ILE 147.A N ASN 136.A O no hydrogen 2.852 N/A PHE 149.A N GLU 55.A OE2 no hydrogen 2.942 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 2.942 N/A ILE 151.A N GLU 55.A OE1 no hydrogen 3.228 N/A ALA 152.A N GLU 55.A OE1 no hydrogen 3.228 N/A GLN 154.A NE2 ASP 148.A OD1 no hydrogen 2.699 N/A GLN 156.A N SER 18.A O no hydrogen 3.164 N/A ASP 158.A N ILE 16.A O no hydrogen 2.961 N/A MET 164.A N VAL 161.A O no hydrogen 3.267 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.704 N/A ILE 169.A N PRO 166.A O no hydrogen 3.010 N/A LYS 170.A N PRO 166.A O no hydrogen 2.836 N/A ASP 171.A N GLU 167.A O no hydrogen 2.903 N/A LYS 177.A NZ PRO 239.A O no hydrogen 2.855 N/A LYS 177.A NZ ARG 242.A O no hydrogen 2.702 N/A SER 178.A N SER 175.A O no hydrogen 3.269 N/A SER 178.A OG GLU 167.A OE2 no hydrogen 3.023 N/A SER 178.A OG SER 175.A O no hydrogen 3.478 N/A ASP 179.A N PRO 176.A O no hydrogen 3.043 N/A VAL 180.A N LYS 177.A O no hydrogen 3.035 N/A TRP 181.A N LYS 177.A O no hydrogen 3.346 N/A SER 182.A N SER 178.A O no hydrogen 3.354 N/A SER 182.A OG TYR 163.A O no hydrogen 2.933 N/A SER 182.A OG SER 178.A O no hydrogen 3.429 N/A LEU 183.A N ASP 179.A O no hydrogen 2.908 N/A GLY 184.A N VAL 180.A O no hydrogen 2.802 N/A CYS 185.A N TRP 181.A O no hydrogen 2.985 N/A CYS 185.A SG ASN 162.A O no hydrogen 3.946 N/A CYS 185.A SG TRP 181.A O no hydrogen 3.364 N/A ILE 186.A N SER 182.A O no hydrogen 3.128 N/A LEU 187.A N LEU 183.A O no hydrogen 2.950 N/A TYR 188.A N GLY 184.A O no hydrogen 2.709 N/A TYR 188.A OH GLU 218.A O no hydrogen 2.848 N/A TYR 189.A N CYS 185.A O no hydrogen 2.931 N/A MET 190.A N ILE 186.A O no hydrogen 2.897 N/A THR 191.A N TYR 188.A O no hydrogen 3.041 N/A THR 191.A OG1 LEU 187.A O no hydrogen 2.796 N/A TYR 192.A N TYR 188.A O no hydrogen 2.675 N/A TYR 192.A OH PRO 220.A O no hydrogen 2.942 N/A GLY 193.A N TYR 189.A O no hydrogen 2.922 N/A LYS 194.A NZ THR 195.A O no hydrogen 3.064 N/A THR 195.A N GLN 198.A OE1 no hydrogen 2.760 N/A THR 195.A OG1 GLN 198.A OE1 no hydrogen 3.253 N/A GLN 198.A N THR 195.A O no hydrogen 3.045 N/A GLN 203.A NE2 ILE 201.A O no hydrogen 3.364 N/A SER 205.A N ASN 202.A O no hydrogen 2.873 N/A LYS 206.A N ASN 202.A O no hydrogen 2.761 N/A LYS 206.A NZ ASN 162.A OD1 no hydrogen 2.541 N/A LYS 206.A NZ PHE 197.A O no hydrogen 3.133 N/A LYS 206.A NZ GLN 198.A O no hydrogen 3.569 N/A LEU 207.A N GLN 203.A O no hydrogen 2.886 N/A HIS 208.A N ILE 204.A O no hydrogen 3.261 N/A HIS 208.A ND1 ILE 204.A O no hydrogen 2.671 N/A ALA 209.A N SER 205.A O no hydrogen 2.817 N/A ILE 210.A N LYS 206.A O no hydrogen 2.888 N/A ILE 211.A N LEU 207.A O no hydrogen 3.293 N/A ASP 212.A N HIS 208.A O no hydrogen 3.097 N/A ASN 214.A N ASP 212.A OD1 no hydrogen 2.490 N/A HIS 215.A N ASP 212.A O no hydrogen 3.281 N/A LYS 225.A NZ ILE 222.A O no hydrogen 3.218 N/A GLN 228.A N GLU 224.A O no hydrogen 3.450 N/A GLN 228.A NE2 PHE 219.A O no hydrogen 3.140 N/A GLN 228.A NE2 ASP 221.A OD1 no hydrogen 2.977 N/A ASP 229.A N LYS 225.A O no hydrogen 3.274 N/A VAL 230.A N ASP 226.A O no hydrogen 2.832 N/A LEU 231.A N LEU 227.A O no hydrogen 2.973 N/A LYS 232.A N GLN 228.A O no hydrogen 3.063 N/A CYS 233.A N ASP 229.A O no hydrogen 2.854 N/A CYS 233.A SG ASP 229.A O no hydrogen 3.624 N/A CYS 234.A N VAL 230.A O no hydrogen 2.793 N/A CYS 234.A SG VAL 230.A O no hydrogen 3.510 N/A LEU 235.A N LEU 231.A O no hydrogen 3.021 N/A ARG 237.A NE ILE 210.A O no hydrogen 2.837 N/A ARG 237.A NH2 ALA 209.A O no hydrogen 2.865 N/A ARG 237.A NH2 HIS 215.A O no hydrogen 2.824 N/A LYS 240.A N ASP 238.A OD1 no hydrogen 2.919 N/A GLN 241.A N ASP 238.A O no hydrogen 3.055 N/A ARG 242.A N ASP 238.A O no hydrogen 3.089 N/A ARG 242.A NE LYS 236.A O no hydrogen 2.796 N/A ARG 242.A NH1 GLU 167.A OE1 no hydrogen 3.528 N/A ARG 242.A NH1 GLU 167.A OE2 no hydrogen 2.583 N/A ARG 242.A NH1 LYS 177.A O no hydrogen 2.830 N/A ARG 242.A NH2 GLU 167.A OE1 no hydrogen 2.901 N/A ARG 242.A NH2 GLU 167.A OE2 no hydrogen 3.521 N/A ARG 242.A NH2 LYS 236.A O no hydrogen 2.835 N/A ILE 243.A N CYS 233.A O no hydrogen 3.397 N/A SER 244.A N GLU 247.A OE1 no hydrogen 3.096 N/A LEU 248.A N SER 244.A O no hydrogen 2.906 N/A LEU 249.A N ILE 245.A O no hydrogen 3.096 N/A ALA 250.A N GLU 247.A O no hydrogen 3.165 N/A HIS 251.A N LEU 248.A O no hydrogen 3.367 N/A TYR 253.A N HIS 251.A ND1 no hydrogen 2.983 N/A VAL 254.A N HIS 251.A O no hydrogen 3.031 N/A GLN 255.A N HIS 251.A O no hydrogen 2.892 N/A GLN 255.A NE2 LEU 249.A O no hydrogen 2.926 N/A ILE 256.A N PRO 252.A O no hydrogen 2.719 N/A