Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xpv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N VAL 72.A O.A no hydrogen 2.919 N/A ILE 5.A N VAL 72.A O.B no hydrogen 2.796 N/A HIS 6.A ND1 SER 8.A OG no hydrogen 2.673 N/A SER 8.A N HIS 6.A ND1 no hydrogen 3.178 N/A SER 8.A OG HIS 6.A ND1 no hydrogen 2.673 N/A CYS 9.A N HIS 6.A O no hydrogen 2.936 N/A VAL 10.A N PRO 7.A O no hydrogen 3.063 N/A THR 11.A N MET 28.A O no hydrogen 3.027 N/A GLN 13.A N LYS 26.A O no hydrogen 2.897 N/A LYS 14.A N LYS 26.A O no hydrogen 3.226 N/A LYS 14.A NZ VAL 15.A O no hydrogen 3.453 N/A ILE 16.A N VAL 24.A O no hydrogen 2.750 N/A GLY 19.A N GLY 22.A O no hydrogen 2.968 N/A GLU 23.A N THR 38.A OG1 no hydrogen 2.986 N/A VAL 24.A N GLY 17.A O no hydrogen 3.016 N/A TYR 25.A N ILE 36.A O no hydrogen 2.721 N/A TYR 25.A OH GLU 23.A OE2 no hydrogen 2.705 N/A LYS 26.A N LYS 14.A O no hydrogen 2.758 N/A LYS 26.A NZ GLN 13.A OE1 no hydrogen 2.729 N/A LYS 26.A NZ GLY 27.A O no hydrogen 3.523 N/A GLY 27.A N VAL 34.A O no hydrogen 2.980 N/A MET 28.A N THR 11.A O no hydrogen 3.006 N/A LEU 29.A N VAL 32.A O no hydrogen 2.816 N/A LYS 30.A N CYS 9.A O no hydrogen 2.951 N/A LYS 30.A NZ SER 8.A O no hydrogen 3.046 N/A VAL 32.A N LEU 29.A O no hydrogen 2.862 N/A VAL 34.A N GLY 27.A O no hydrogen 2.916 N/A ALA 35.A N THR 83.A O no hydrogen 2.975 N/A ILE 36.A N TYR 25.A O no hydrogen 2.917 N/A LYS 37.A N ILE 81.A O no hydrogen 2.933 N/A LYS 37.A NZ GLU 54.A OE1 no hydrogen 2.927 N/A LYS 37.A NZ GLU 54.A OE2 no hydrogen 3.404 N/A THR 38.A N GLU 23.A O no hydrogen 2.916 N/A THR 38.A OG1 GLU 23.A O no hydrogen 3.280 N/A LEU 39.A N MET 79.A O no hydrogen 2.931 N/A LYS 40.A N PHE 21.A O no hydrogen 2.855 N/A LYS 40.A NZ GLU 23.A OE1 no hydrogen 3.474 N/A THR 44.A N GLN 47.A OE1 no hydrogen 2.900 N/A LYS 46.A NZ ASP 50.A OD2 no hydrogen 3.095 N/A GLN 47.A N THR 44.A OG1 no hydrogen 3.112 N/A ARG 48.A N THR 44.A O no hydrogen 2.998 N/A VAL 49.A N GLU 45.A O no hydrogen 2.910 N/A ASP 50.A N LYS 46.A O no hydrogen 2.896 N/A PHE 51.A N GLN 47.A O no hydrogen 2.870 N/A LEU 52.A N ARG 48.A O no hydrogen 3.005 N/A GLY 53.A N VAL 49.A O no hydrogen 2.914 N/A GLU 54.A N ASP 50.A O no hydrogen 3.029 N/A ALA 55.A N PHE 51.A O no hydrogen 3.212 N/A GLY 56.A N LEU 52.A O no hydrogen 2.893 N/A ILE 57.A N GLY 53.A O no hydrogen 3.095 N/A MET 58.A N GLU 54.A O no hydrogen 3.052 N/A GLY 59.A N ALA 55.A O no hydrogen 2.908 N/A GLN 60.A N GLY 56.A O no hydrogen 3.178 N/A GLN 60.A N ILE 57.A O no hydrogen 3.273 N/A PHE 61.A N ILE 57.A O no hydrogen 3.192 N/A SER 62.A N TYR 120.A OH no hydrogen 3.062 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 2.942 N/A ASN 65.A ND2 CYS 144.A O no hydrogen 2.984 N/A ILE 66.A N HIS 63.A O no hydrogen 3.195 N/A ILE 67.A N VAL 146.A O no hydrogen 3.266 N/A ARG 68.A N GLU 84.A OE2 no hydrogen 2.905 N/A ARG 68.A NE GLU 70.A OE2 no hydrogen 2.940 N/A ARG 68.A NH2 GLU 70.A OE2 no hydrogen 2.765 N/A GLU 70.A N ILE 82.A O no hydrogen 2.736 N/A GLY 71.A N ILE 82.A O no hydrogen 3.196 N/A VAL 72.A N.A THR 3.A O no hydrogen 2.870 N/A VAL 72.A N.B THR 3.A O no hydrogen 2.865 N/A ILE 73.A N MET 80.A O no hydrogen 2.916 N/A SER 74.A N GLU 4.A OE2 no hydrogen 2.828 N/A SER 74.A OG GLU 4.A OE1 no hydrogen 2.714 N/A SER 74.A OG GLU 4.A OE2 no hydrogen 3.360 N/A LYS 75.A N GLU 4.A OE2 no hydrogen 3.030 N/A LYS 77.A NZ TYR 43.A OH no hydrogen 3.287 N/A MET 79.A N LEU 39.A O no hydrogen 3.326 N/A MET 80.A N ILE 73.A O no hydrogen 2.947 N/A ILE 81.A N LYS 37.A O no hydrogen 2.841 N/A ILE 82.A N GLY 71.A O no hydrogen 2.884 N/A THR 83.A N ALA 35.A O no hydrogen 2.841 N/A THR 83.A OG1 GLU 84.A O no hydrogen 3.062 N/A GLU 84.A N ARG 68.A O no hydrogen 3.102 N/A ASN 88.A N VAL 138.A O no hydrogen 2.984 N/A ASN 88.A ND2 ASN 139.A O no hydrogen 3.024 N/A GLY 89.A N MET 86.A O no hydrogen 3.145 N/A LEU 91.A N ILE 136.A O no hydrogen 2.855 N/A LYS 93.A N ASP 92.A OD1 no hydrogen 2.802 N/A LYS 93.A NZ GLU 97.A OE2 no hydrogen 2.733 N/A PHE 94.A N ALA 90.A O no hydrogen 3.008 N/A LEU 95.A N LEU 91.A O no hydrogen 2.949 N/A ARG 96.A N ASP 92.A O no hydrogen 3.238 N/A ARG 96.A NE GLY 186.A O no hydrogen 2.773 N/A ARG 96.A NH2 GLY 186.A O no hydrogen 3.397 N/A GLU 97.A N LYS 93.A O no hydrogen 3.061 N/A GLU 97.A N PHE 94.A O no hydrogen 3.142 N/A LYS 98.A N LEU 95.A O no hydrogen 3.097 N/A GLU 101.A N LYS 98.A O no hydrogen 3.050 N/A PHE 102.A N TYR 185.A OH no hydrogen 2.969 N/A SER 103.A N GLN 106.A OE1 no hydrogen 2.878 N/A SER 103.A OG GLN 106.A OE1 no hydrogen 3.442 N/A GLN 106.A N SER 103.A OG no hydrogen 3.062 N/A LEU 107.A N SER 103.A O no hydrogen 3.018 N/A VAL 108.A N VAL 104.A O no hydrogen 2.860 N/A GLY 109.A N LEU 105.A O no hydrogen 2.850 N/A MET 110.A N GLN 106.A O no hydrogen 3.063 N/A LEU 111.A N LEU 107.A O no hydrogen 3.229 N/A ARG 112.A N VAL 108.A O no hydrogen 2.944 N/A ARG 112.A NH1 ASP 244.A OD1.A no hydrogen 2.827 N/A ARG 112.A NH1 ASP 244.A OD1.B no hydrogen 3.469 N/A GLY 113.A N GLY 109.A O no hydrogen 3.127 N/A ILE 114.A N MET 110.A O no hydrogen 3.083 N/A ALA 115.A N LEU 111.A O no hydrogen 2.876 N/A ALA 116.A N ARG 112.A O no hydrogen 2.921 N/A GLY 117.A N GLY 113.A O no hydrogen 3.019 N/A MET 118.A N ILE 114.A O no hydrogen 2.955 N/A LYS 119.A N ALA 115.A O no hydrogen 2.809 N/A TYR 120.A N ALA 116.A O no hydrogen 3.110 N/A LEU 121.A N GLY 117.A O no hydrogen 2.962 N/A ALA 122.A N MET 118.A O no hydrogen 2.868 N/A ASN 123.A N LYS 119.A O no hydrogen 2.969 N/A MET 124.A N TYR 120.A O no hydrogen 2.986 N/A ASN 125.A N ALA 122.A O no hydrogen 2.985 N/A TYR 126.A N LEU 121.A O no hydrogen 2.879 N/A HIS 128.A N ASP 171.A OD2 no hydrogen 2.869 N/A HIS 128.A NE2 SER 147.A O no hydrogen 2.839 N/A ARG 129.A N ASP 171.A OD1 no hydrogen 3.086 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.058 N/A ALA 133.A N GLU 181.A OE1 no hydrogen 2.970 N/A ARG 134.A NH1.B ASP 130.A OD1 no hydrogen 3.229 N/A ARG 134.A NH1.B ASP 130.A OD2 no hydrogen 3.095 N/A ARG 134.A NH2.A ASP 130.A OD1 no hydrogen 3.269 N/A ARG 134.A NH2.B ASP 130.A OD1 no hydrogen 2.965 N/A ASN 135.A N ALA 132.A O no hydrogen 2.914 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.806 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 2.988 N/A ILE 136.A N ALA 133.A O no hydrogen 3.097 N/A LEU 137.A N LYS 145.A O no hydrogen 2.891 N/A VAL 138.A N GLY 89.A O no hydrogen 2.976 N/A ASN 139.A N VAL 143.A O no hydrogen 3.081 N/A ASN 141.A N ASN 139.A OD1 no hydrogen 2.865 N/A LEU 142.A N ASN 139.A O no hydrogen 2.998 N/A VAL 143.A N ASN 139.A OD1 no hydrogen 2.968 N/A LYS 145.A N LEU 137.A O no hydrogen 2.818 N/A LYS 145.A NZ HIS 64.A O no hydrogen 3.303 N/A LYS 145.A NZ GLU 84.A OE1 no hydrogen 3.322 N/A LYS 145.A NZ GLU 84.A OE2 no hydrogen 3.212 N/A VAL 146.A N ASN 65.A O no hydrogen 2.864 N/A SER 147.A N ASN 135.A O no hydrogen 2.923 N/A ASP 148.A N SER 147.A OG no hydrogen 2.742 N/A PHE 149.A N ASN 135.A OD1 no hydrogen 3.023 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 2.858 N/A ARG 154.A NH1 PRO 189.A O no hydrogen 3.051 N/A ARG 154.A NH1 LEU 193.A O no hydrogen 3.086 N/A ARG 154.A NH2 LEU 193.A O no hydrogen 2.835 N/A ARG 154.A NH2 ASN 195.A OD1 no hydrogen 2.997 N/A TRP 155.A N PRO 152.A O no hydrogen 3.095 N/A TRP 155.A NE1 GLU 181.A OE1 no hydrogen 2.894 N/A THR 156.A N ILE 153.A O no hydrogen 3.083 N/A THR 156.A OG1 PRO 152.A O no hydrogen 2.789 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.769 N/A ALA 160.A N ALA 157.A O no hydrogen 3.024 N/A ILE 161.A N ALA 157.A O no hydrogen 3.140 N/A SER 162.A N PRO 158.A O no hydrogen 2.833 N/A SER 162.A OG.A PRO 158.A O no hydrogen 2.989 N/A SER 162.A OG.B PRO 158.A O no hydrogen 3.138 N/A TYR 163.A N GLU 159.A O no hydrogen 3.080 N/A ARG 164.A N ALA 160.A O no hydrogen 3.089 N/A LYS 165.A N GLU 159.A O no hydrogen 3.250 N/A THR 167.A N SER 170.A OG no hydrogen 2.832 N/A ALA 169.A N THR 167.A OG1 no hydrogen 3.003 N/A SER 170.A N THR 167.A OG1 no hydrogen 3.362 N/A SER 170.A OG THR 167.A O no hydrogen 2.867 N/A ASP 171.A N THR 167.A O no hydrogen 3.081 N/A VAL 172.A N SER 168.A O.A no hydrogen 2.988 N/A VAL 172.A N SER 168.A O.B no hydrogen 2.972 N/A TRP 173.A N ALA 169.A O no hydrogen 3.338 N/A SER 174.A N SER 170.A O no hydrogen 3.181 N/A SER 174.A OG TRP 155.A O no hydrogen 2.723 N/A SER 174.A OG SER 170.A O no hydrogen 3.255 N/A PHE 175.A N ASP 171.A O no hydrogen 2.825 N/A GLY 176.A N VAL 172.A O no hydrogen 3.002 N/A ILE 177.A N TRP 173.A O no hydrogen 3.205 N/A VAL 178.A N SER 174.A O no hydrogen 2.872 N/A MET 179.A N PHE 175.A O no hydrogen 2.806 N/A TRP 180.A N GLY 176.A O no hydrogen 3.128 N/A TRP 180.A NE1 PRO 209.A O no hydrogen 2.878 N/A GLU 181.A N ILE 177.A O no hydrogen 2.869 N/A VAL 182.A N VAL 178.A O no hydrogen 2.878 N/A MET 183.A N MET 179.A O no hydrogen 3.039 N/A THR 184.A N TRP 180.A O no hydrogen 3.080 N/A THR 184.A OG1 TRP 180.A O no hydrogen 2.799 N/A THR 184.A OG1 GLU 181.A O no hydrogen 3.171 N/A TYR 185.A N VAL 182.A O no hydrogen 3.071 N/A GLY 186.A N GLU 181.A O no hydrogen 2.765 N/A GLU 187.A N THR 184.A OG1 no hydrogen 3.152 N/A TRP 191.A N ARG 188.A O no hydrogen 2.977 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.839 N/A LEU 193.A N TYR 190.A O no hydrogen 3.026 N/A SER 194.A N GLU 197.A OE1 no hydrogen 2.875 N/A GLU 197.A N SER 194.A OG no hydrogen 3.209 N/A VAL 198.A N SER 194.A O no hydrogen 2.865 N/A MET 199.A N ASN 195.A O no hydrogen 3.047 N/A LYS 200.A N HIS 196.A O no hydrogen 2.975 N/A LYS 200.A NZ ASP 204.A OD2 no hydrogen 3.106 N/A ALA 201.A N GLU 197.A O no hydrogen 2.965 N/A ILE 202.A N.A VAL 198.A O no hydrogen 2.958 N/A ILE 202.A N.B VAL 198.A O no hydrogen 2.975 N/A ASN 203.A N MET 199.A O no hydrogen 3.008 N/A ASP 204.A N LYS 200.A O no hydrogen 3.082 N/A ASP 204.A N ALA 201.A O no hydrogen 3.113 N/A GLY 205.A N ILE 202.A O.A no hydrogen 3.127 N/A GLY 205.A N ILE 202.A O.B no hydrogen 2.941 N/A PHE 206.A N ALA 201.A O no hydrogen 2.904 N/A ARG 207.A NE TRP 226.A O no hydrogen 2.869 N/A ARG 207.A NH1 ILE 202.A O.A no hydrogen 3.117 N/A ARG 207.A NH1 ILE 202.A O.B no hydrogen 3.177 N/A ARG 207.A NH1 PHE 206.A O no hydrogen 2.826 N/A ARG 207.A NH2 TRP 226.A O no hydrogen 2.986 N/A THR 210.A OG1.A PRO 211.A O no hydrogen 3.086 N/A THR 210.A OG1.B ASP 258.A O no hydrogen 2.976 N/A CYS 214.A SG PRO 215.A O no hydrogen 3.572 N/A SER 216.A N THR 255.A O no hydrogen 2.829 N/A ILE 218.A N PRO 215.A O no hydrogen 3.067 N/A TYR 219.A N PRO 215.A O no hydrogen 3.099 N/A TYR 219.A OH LEU 208.A O no hydrogen 2.671 N/A GLN 220.A N SER 216.A O no hydrogen 2.921 N/A GLN 220.A NE2 SER 216.A O no hydrogen 3.504 N/A GLN 220.A NE2 SER 216.A OG no hydrogen 2.963 N/A LEU 221.A N ALA 217.A O no hydrogen 3.091 N/A MET 222.A N ILE 218.A O no hydrogen 3.034 N/A MET 223.A N TYR 219.A O no hydrogen 3.034 N/A GLN 224.A N GLN 220.A O no hydrogen 3.169 N/A CYS 225.A N LEU 221.A O no hydrogen 3.138 N/A CYS 225.A SG LEU 221.A O no hydrogen 3.496 N/A TRP 226.A N MET 223.A O no hydrogen 3.086 N/A GLN 227.A N GLN 224.A O no hydrogen 3.363 N/A GLN 227.A NE2 GLN 224.A OE1 no hydrogen 3.150 N/A ARG 232.A N GLU 229.A O no hydrogen 2.946 N/A ARG 233.A N ARG 230.A O no hydrogen 3.163 N/A ARG 233.A NE GLN 227.A O no hydrogen 2.872 N/A ARG 233.A NH1 GLU 159.A OE2 no hydrogen 2.792 N/A ARG 233.A NH1 ALA 169.A O no hydrogen 2.955 N/A ARG 233.A NH2 GLU 159.A OE1 no hydrogen 2.898 N/A ARG 233.A NH2 GLN 227.A O no hydrogen 3.138 N/A ARG 233.A NH2 GLN 228.A O no hydrogen 3.255 N/A LYS 235.A N ASP 238.A OD2 no hydrogen 2.879 N/A ILE 239.A N LYS 235.A O no hydrogen 3.108 N/A VAL 240.A N PHE 236.A O no hydrogen 2.923 N/A SER 241.A N ALA 237.A O no hydrogen 3.152 N/A ILE 242.A N ASP 238.A O no hydrogen 2.956 N/A LEU 243.A N ILE 239.A O no hydrogen 2.944 N/A ASP 244.A N VAL 240.A O no hydrogen 2.904 N/A LYS 245.A N SER 241.A O no hydrogen 3.050 N/A LEU 246.A N ILE 242.A O no hydrogen 2.983 N/A ILE 247.A N LEU 243.A O no hydrogen 3.020 N/A ARG 248.A N ASP 244.A O no hydrogen 3.007 N/A ARG 248.A NH1 ASP 244.A OD2.A no hydrogen 3.167 N/A ALA 249.A N LYS 245.A O no hydrogen 3.126 N/A SER 252.A N ALA 249.A O no hydrogen 2.896 N/A SER 252.A OG LEU 246.A O no hydrogen 3.203 N/A SER 252.A OG ALA 249.A O no hydrogen 2.754 N/A LEU 253.A N PRO 250.A O no hydrogen 3.065 N/A LYS 254.A N ASP 251.A O no hydrogen 3.062 N/A LYS 254.A NZ ASP 251.A OD2 no hydrogen 3.271 N/A ALA 257.A N CYS 214.A O no hydrogen 2.925 N/A