Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x8i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ALA 1.A O no hydrogen 3.147 N/A GLU 6.A N VAL 2.A O no hydrogen 3.223 N/A GLU 6.A N PRO 3.A O no hydrogen 3.256 N/A ASP 7.A N PHE 4.A O no hydrogen 3.127 N/A TRP 8.A N PHE 4.A O no hydrogen 2.736 N/A ASP 9.A N VAL 26.A O no hydrogen 2.810 N/A VAL 11.A N LEU 24.A O no hydrogen 2.725 N/A LEU 14.A N VAL 22.A O no hydrogen 2.752 N/A GLY 15.A N VAL 22.A O no hydrogen 3.340 N/A GLY 17.A N GLY 20.A O no hydrogen 2.813 N/A GLU 21.A N ILE 38.A O no hydrogen 3.245 N/A VAL 22.A N GLY 15.A O no hydrogen 2.827 N/A GLN 23.A N VAL 36.A O no hydrogen 2.758 N/A GLN 23.A NE2 THR 13.A OG1 no hydrogen 3.267 N/A LEU 24.A N GLN 12.A O no hydrogen 2.827 N/A ALA 25.A N VAL 34.A O no hydrogen 2.917 N/A VAL 26.A N ASP 9.A O no hydrogen 2.824 N/A ASN 27.A N GLU 32.A O no hydrogen 2.953 N/A ARG 28.A N ASP 7.A O no hydrogen 2.916 N/A ARG 28.A NE GLU 6.A O no hydrogen 3.159 N/A ARG 28.A NH2 VAL 5.A O no hydrogen 2.927 N/A VAL 29.A N ASN 27.A OD1 no hydrogen 2.948 N/A THR 30.A N ASN 27.A OD1 no hydrogen 2.919 N/A GLU 31.A N ASN 27.A O no hydrogen 2.717 N/A GLU 32.A N THR 30.A OG1 no hydrogen 3.097 N/A VAL 34.A N ALA 25.A O no hydrogen 3.010 N/A ALA 35.A N LEU 76.A O no hydrogen 2.808 N/A VAL 36.A N GLN 23.A O no hydrogen 2.789 N/A LYS 37.A N LEU 74.A O no hydrogen 2.877 N/A LYS 37.A NZ GLU 42.A OE2 no hydrogen 3.213 N/A LYS 37.A NZ GLU 47.A OE1 no hydrogen 3.545 N/A LYS 37.A NZ GLU 47.A OE2 no hydrogen 2.576 N/A LYS 37.A NZ ASP 140.A OD2 no hydrogen 3.016 N/A ILE 38.A N GLU 21.A O no hydrogen 2.816 N/A VAL 39.A N GLN 72.A O no hydrogen 2.880 N/A ASP 40.A N TYR 19.A O no hydrogen 3.394 N/A MET 41.A N ASN 70.A O no hydrogen 3.115 N/A ASN 43.A N GLY 142.A O no hydrogen 2.747 N/A LYS 46.A N ASN 43.A OD1 no hydrogen 3.230 N/A GLU 47.A N ASN 43.A O no hydrogen 2.908 N/A ILE 48.A N ILE 44.A O no hydrogen 3.222 N/A CYS 49.A N LYS 45.A O no hydrogen 3.461 N/A ILE 50.A N LYS 46.A O no hydrogen 2.845 N/A ASN 51.A N GLU 47.A O no hydrogen 2.861 N/A ASN 51.A ND2 GLU 47.A O no hydrogen 2.984 N/A LYS 52.A N ILE 48.A O no hydrogen 3.022 N/A MET 53.A N ILE 50.A O no hydrogen 2.874 N/A LEU 54.A N ASN 51.A O no hydrogen 3.253 N/A ASN 55.A N TYR 112.A OH no hydrogen 2.824 N/A ASN 58.A N HIS 56.A ND1 no hydrogen 2.994 N/A ASN 58.A ND2 LEU 136.A O no hydrogen 2.781 N/A VAL 59.A N HIS 56.A O no hydrogen 3.225 N/A VAL 60.A N ILE 138.A O no hydrogen 2.927 N/A LYS 61.A N GLU 77.A OE2 no hydrogen 2.907 N/A TYR 63.A N PHE 75.A O no hydrogen 2.770 N/A ARG 66.A N TYR 73.A O no hydrogen 2.991 N/A GLU 68.A N ILE 71.A O no hydrogen 2.991 N/A GLN 72.A N VAL 39.A O no hydrogen 2.804 N/A TYR 73.A N ARG 66.A O no hydrogen 2.964 N/A LEU 74.A N LYS 37.A O no hydrogen 2.868 N/A PHE 75.A N GLY 64.A O no hydrogen 2.782 N/A LEU 76.A N ALA 35.A O no hydrogen 2.790 N/A GLU 77.A N LYS 61.A O no hydrogen 2.889 N/A CYS 79.A SG GLU 77.A O no hydrogen 3.929 N/A GLY 81.A N LEU 130.A O no hydrogen 2.785 N/A GLY 82.A N CYS 79.A O no hydrogen 3.275 N/A LEU 84.A N LEU 128.A O no hydrogen 2.881 N/A ASP 86.A N GLU 83.A O no hydrogen 3.144 N/A ARG 87.A N LEU 84.A O no hydrogen 2.900 N/A ARG 87.A NH1 ASP 134.A OD1 no hydrogen 3.256 N/A ARG 87.A NH1 ASP 134.A OD2 no hydrogen 2.986 N/A ARG 87.A NH2 GLY 81.A O no hydrogen 2.921 N/A ARG 87.A NH2 ASP 134.A OD1 no hydrogen 2.694 N/A ILE 88.A N PHE 85.A O no hydrogen 3.022 N/A GLU 89.A N GLY 93.A O no hydrogen 2.942 N/A ASP 91.A N GLY 196.A O no hydrogen 2.775 N/A ILE 92.A N GLU 89.A O no hydrogen 2.920 N/A GLY 93.A N GLU 89.A O no hydrogen 2.712 N/A MET 94.A N MET 193.A O no hydrogen 2.828 N/A ALA 99.A N PRO 95.A O no hydrogen 3.093 N/A GLN 100.A N GLU 96.A O no hydrogen 2.834 N/A GLN 100.A NE2 TRP 256.A O no hydrogen 2.858 N/A GLN 100.A NE2 LYS 259.A O no hydrogen 2.704 N/A ARG 101.A N PRO 97.A O no hydrogen 3.030 N/A ARG 101.A NH1 ASP 134.A O no hydrogen 2.953 N/A ARG 101.A NH2 ARG 133.A O no hydrogen 3.392 N/A ARG 101.A NH2 ASP 134.A O no hydrogen 3.279 N/A PHE 102.A N ASP 98.A O no hydrogen 3.001 N/A PHE 103.A N ALA 99.A O no hydrogen 2.909 N/A HIS 104.A N GLN 100.A O no hydrogen 2.934 N/A HIS 104.A NE2 TYR 257.A O no hydrogen 2.666 N/A GLN 105.A N ARG 101.A O no hydrogen 3.127 N/A LEU 106.A N PHE 102.A O no hydrogen 2.812 N/A MET 107.A N PHE 103.A O no hydrogen 2.921 N/A ALA 108.A N HIS 104.A O no hydrogen 2.952 N/A GLY 109.A N GLN 105.A O no hydrogen 3.034 N/A VAL 110.A N LEU 106.A O no hydrogen 2.885 N/A VAL 111.A N MET 107.A O no hydrogen 2.745 N/A TYR 112.A N ALA 108.A O no hydrogen 3.092 N/A LEU 113.A N GLY 109.A O no hydrogen 3.029 N/A HIS 114.A N VAL 110.A O no hydrogen 2.844 N/A HIS 114.A NE2 ASP 182.A OD2 no hydrogen 2.852 N/A GLY 115.A N VAL 111.A O no hydrogen 2.829 N/A ILE 116.A N TYR 112.A O no hydrogen 3.241 N/A ILE 116.A N LEU 113.A O no hydrogen 3.116 N/A GLY 117.A N HIS 114.A O no hydrogen 3.050 N/A ILE 118.A N LEU 113.A O no hydrogen 2.918 N/A THR 119.A N THR 145.A O no hydrogen 2.981 N/A THR 119.A OG1 ASP 182.A OD1 no hydrogen 3.371 N/A THR 119.A OG1 ASP 182.A OD2 no hydrogen 2.659 N/A HIS 120.A N ASP 182.A OD2 no hydrogen 3.387 N/A HIS 120.A NE2 SER 139.A O no hydrogen 2.794 N/A ARG 121.A N ASP 182.A OD1 no hydrogen 3.251 N/A ARG 121.A NE LEU 143.A O no hydrogen 2.715 N/A ARG 121.A NH2 LEU 143.A O no hydrogen 2.928 N/A ASP 122.A N HIS 120.A ND1 no hydrogen 3.064 N/A LYS 124.A NZ THR 162.A OG1 no hydrogen 2.763 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.712 N/A ASN 127.A N LYS 124.A O no hydrogen 2.838 N/A ASN 127.A ND2 ASP 122.A O no hydrogen 2.886 N/A LEU 128.A N PRO 125.A O no hydrogen 3.150 N/A LEU 129.A N LYS 137.A O no hydrogen 2.847 N/A LEU 130.A N GLY 82.A O no hydrogen 2.769 N/A ASP 131.A N ASN 135.A O no hydrogen 3.037 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.703 N/A ARG 133.A N ASP 131.A OD2 no hydrogen 2.869 N/A ASP 134.A N ASP 131.A O no hydrogen 3.014 N/A ASN 135.A N ASP 131.A OD2 no hydrogen 2.748 N/A LEU 136.A N GLN 105.A OE1 no hydrogen 2.723 N/A LYS 137.A N LEU 129.A O no hydrogen 2.765 N/A LYS 137.A NZ GLU 57.A O no hydrogen 2.673 N/A ILE 138.A N ASN 58.A O no hydrogen 2.789 N/A SER 139.A N ASN 127.A O no hydrogen 2.770 N/A GLY 142.A N ASP 140.A OD2 no hydrogen 3.050 N/A ALA 144.A N PHE 141.A O no hydrogen 3.327 N/A THR 145.A N THR 119.A O no hydrogen 3.088 N/A PHE 147.A N GLY 117.A O no hydrogen 2.972 N/A ARG 148.A NH1 HIS 114.A O no hydrogen 2.975 N/A ARG 148.A NH1 GLY 115.A O no hydrogen 3.516 N/A ARG 148.A NH2 HIS 114.A O no hydrogen 3.015 N/A TYR 149.A N ARG 152.A O no hydrogen 2.899 N/A ARG 152.A N TYR 149.A O no hydrogen 2.891 N/A ARG 152.A NH1 ASN 151.A O no hydrogen 2.874 N/A ARG 154.A N PHE 147.A O no hydrogen 2.889 N/A ARG 154.A NE VAL 146.A O no hydrogen 2.869 N/A ARG 154.A NH1 VAL 146.A O no hydrogen 2.818 N/A LEU 156.A N PHE 176.A O no hydrogen 2.919 N/A LYS 158.A NZ ASN 157.A OD1 no hydrogen 2.870 N/A THR 162.A N ASP 122.A OD2 no hydrogen 3.300 N/A THR 162.A OG1 ASP 122.A OD2 no hydrogen 2.842 N/A TYR 165.A N THR 162.A O no hydrogen 2.850 N/A VAL 166.A N LEU 163.A O no hydrogen 3.149 N/A GLU 169.A N GLU 169.A OE2 no hydrogen 2.758 N/A LEU 170.A N ALA 167.A O no hydrogen 3.181 N/A LEU 171.A N PRO 168.A O no hydrogen 2.984 N/A LYS 172.A N GLU 169.A O no hydrogen 3.096 N/A ARG 173.A N GLU 169.A O no hydrogen 2.707 N/A PHE 176.A N LEU 156.A O no hydrogen 2.972 N/A HIS 177.A ND1 GLU 153.A OE2 no hydrogen 2.740 N/A VAL 181.A N ALA 178.A O no hydrogen 3.089 N/A ASP 182.A N ALA 178.A O no hydrogen 3.489 N/A VAL 183.A N GLU 179.A O no hydrogen 3.035 N/A TRP 184.A N PRO 180.A O no hydrogen 2.916 N/A SER 185.A N VAL 181.A O no hydrogen 3.170 N/A SER 185.A OG.A VAL 181.A O no hydrogen 3.522 N/A SER 185.A OG.A ASP 182.A O no hydrogen 2.998 N/A SER 185.A OG.B VAL 181.A O no hydrogen 3.517 N/A SER 185.A OG.B ASP 182.A O no hydrogen 2.999 N/A CYS 186.A N ASP 182.A O no hydrogen 3.029 N/A CYS 186.A SG ASP 182.A O no hydrogen 3.255 N/A GLY 187.A N VAL 183.A O no hydrogen 3.108 N/A ILE 188.A N TRP 184.A O no hydrogen 3.083 N/A VAL 189.A N SER 185.A O no hydrogen 2.880 N/A LEU 190.A N CYS 186.A O no hydrogen 2.926 N/A THR 191.A N GLY 187.A O no hydrogen 2.962 N/A THR 191.A OG1 GLY 187.A O no hydrogen 2.898 N/A ALA 192.A N ILE 188.A O no hydrogen 2.958 N/A MET 193.A N VAL 189.A O no hydrogen 2.882 N/A LEU 194.A N LEU 190.A O no hydrogen 2.971 N/A ALA 195.A N THR 191.A O no hydrogen 2.903 N/A GLY 196.A N ALA 192.A O no hydrogen 2.818 N/A CYS 207.A N SER 204.A O no hydrogen 3.155 N/A CYS 207.A SG GLN 202.A O no hydrogen 3.459 N/A CYS 207.A SG GLU 209.A OE1 no hydrogen 3.734 N/A SER 211.A N CYS 207.A O no hydrogen 3.073 N/A SER 211.A OG CYS 207.A O no hydrogen 3.453 N/A ASP 212.A N GLN 208.A O no hydrogen 2.817 N/A TRP 213.A N GLU 209.A O no hydrogen 3.194 N/A TRP 213.A NE1 LEU 238.A O no hydrogen 3.004 N/A LYS 214.A N TYR 210.A O no hydrogen 2.945 N/A GLU 215.A N SER 211.A O no hydrogen 2.928 N/A LYS 216.A N TRP 213.A O no hydrogen 2.899 N/A LYS 216.A NZ LYS 214.A O no hydrogen 3.305 N/A LYS 217.A N ASP 212.A O no hydrogen 2.957 N/A THR 218.A N LYS 216.A O no hydrogen 2.905 N/A LEU 220.A N LYS 217.A O no hydrogen 3.330 N/A LYS 224.A N LEU 220.A O no hydrogen 3.035 N/A LYS 224.A NZ ASN 221.A OD1 no hydrogen 2.670 N/A LYS 225.A N PRO 222.A O no hydrogen 3.131 N/A LYS 225.A NZ ASP 91.A O no hydrogen 3.177 N/A LYS 225.A NZ ALA 195.A O no hydrogen 3.059 N/A LYS 225.A NZ GLU 197.A OE2 no hydrogen 2.513 N/A ILE 226.A N TRP 223.A O no hydrogen 2.867 N/A ALA 229.A N ASP 227.A OD2 no hydrogen 2.961 N/A LEU 231.A N ASP 227.A O no hydrogen 2.938 N/A ALA 232.A N SER 228.A O no hydrogen 2.934 N/A LEU 234.A N PRO 230.A O no hydrogen 3.078 N/A HIS 235.A N LEU 231.A O no hydrogen 2.804 N/A LYS 236.A N LEU 233.A O no hydrogen 2.934 N/A LYS 236.A NZ ASP 254.A OD2 no hydrogen 2.701 N/A ILE 237.A N LEU 233.A O no hydrogen 2.965 N/A LEU 238.A N LEU 234.A O no hydrogen 2.843 N/A SER 243.A N ASN 241.A OD1 no hydrogen 3.054 N/A SER 243.A OG.B ASN 241.A OD1 no hydrogen 3.217 N/A ALA 244.A N ASN 241.A O no hydrogen 2.889 N/A ARG 245.A NE VAL 239.A O no hydrogen 2.957 N/A ARG 245.A NH1 GLU 169.A OE2 no hydrogen 2.907 N/A ARG 245.A NH1 VAL 239.A O no hydrogen 2.830 N/A ARG 245.A NH2 GLU 169.A OE1 no hydrogen 2.874 N/A ARG 245.A NH2 GLU 169.A OE2 no hydrogen 3.450 N/A ARG 245.A NH2 PRO 180.A O no hydrogen 2.972 N/A ILE 246.A N LYS 236.A O no hydrogen 3.219 N/A ASP 250.A N THR 247.A O no hydrogen 3.074 N/A ILE 251.A N THR 247.A O no hydrogen 2.940 N/A LYS 252.A N ILE 248.A O no hydrogen 3.063 N/A LYS 253.A N ASP 250.A O no hydrogen 2.970 N/A ASP 254.A N ILE 251.A O no hydrogen 2.993 N/A TRP 256.A NE1 GLU 96.A OE1 no hydrogen 2.878 N/A TYR 257.A N ASP 254.A OD1 no hydrogen 2.919 N/A ASN 258.A N ASP 254.A O no hydrogen 3.151 N/A ASN 258.A ND2 LYS 252.A O no hydrogen 2.740 N/A ASN 258.A ND2 ASP 254.A O no hydrogen 3.143 N/A LYS 259.A N TRP 256.A O no hydrogen 3.088 N/A