Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dc8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N TRP 204.A O no hydrogen 2.886 N/A ALA 7.A N LEU 202.A O no hydrogen 3.005 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 2.975 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 3.033 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 3.284 N/A ARG 8.A NH2 ASP 6.A OD2 no hydrogen 2.822 N/A GLU 9.A N ASP 6.A O no hydrogen 2.862 N/A GLN 10.A N ASP 6.A O no hydrogen 3.027 N/A TRP 11.A N ALA 7.A O no hydrogen 3.046 N/A CYS 14.A N TRP 11.A O no hydrogen 3.069 N/A THR 16.A OG1 ASP 40.A OD1 no hydrogen 2.737 N/A ILE 17.A N CYS 14.A O no hydrogen 3.128 N/A LYS 18.A N PRO 15.A O no hydrogen 3.002 N/A GLU 19.A N THR 16.A O no hydrogen 3.045 N/A ARG 21.A NH1 VAL 52.A O no hydrogen 2.979 N/A ARG 21.A NH2 VAL 52.A O no hydrogen 3.156 N/A GLN 23.A N SER 218.A O no hydrogen 2.998 N/A GLN 23.A NE2 CYS 26.A O no hydrogen 2.784 N/A GLY 24.A N ASP 22.A OD2 no hydrogen 2.810 N/A SER 25.A OG THR 118.A OG1 no hydrogen 3.383 N/A CYS 26.A SG SER 28.A OG no hydrogen 3.414 N/A GLY 27.A N CYS 69.A O no hydrogen 2.866 N/A SER 28.A OG TYR 101.A OH no hydrogen 3.056 N/A TRP 30.A NE1 GLY 68.A O no hydrogen 2.926 N/A ALA 31.A N SER 28.A O no hydrogen 2.864 N/A PHE 32.A N SER 28.A O no hydrogen 3.034 N/A GLY 33.A N CYS 29.A O no hydrogen 2.906 N/A VAL 35.A N ALA 31.A O no hydrogen 2.948 N/A GLU 36.A N PHE 32.A O no hydrogen 3.005 N/A ALA 37.A N GLY 33.A O no hydrogen 3.281 N/A ILE 38.A N ALA 34.A O no hydrogen 2.796 N/A SER 39.A N VAL 35.A O no hydrogen 2.880 N/A SER 39.A OG VAL 35.A O no hydrogen 2.631 N/A SER 39.A OG VAL 50.A O no hydrogen 3.439 N/A ASP 40.A N GLU 36.A O no hydrogen 3.067 N/A ARG 41.A N ALA 37.A O no hydrogen 2.893 N/A ARG 41.A NE PRO 167.A O no hydrogen 2.893 N/A ARG 41.A NH1 TYR 149.A OH no hydrogen 3.269 N/A ARG 41.A NH1 GLU 161.A OE2 no hydrogen 3.127 N/A ARG 41.A NH1 GLY 247.A O no hydrogen 2.889 N/A ARG 41.A NH2 GLU 161.A OE2 no hydrogen 2.752 N/A ARG 41.A NH2 GLY 166.A O no hydrogen 3.035 N/A ILE 42.A N ILE 38.A O no hydrogen 2.870 N/A CYS 43.A N SER 39.A O no hydrogen 3.298 N/A CYS 43.A SG ASN 13.A O no hydrogen 3.365 N/A CYS 43.A SG ASN 47.A OD1 no hydrogen 3.797 N/A ILE 44.A N ASP 40.A O no hydrogen 2.898 N/A HIS 45.A N ARG 41.A O no hydrogen 2.803 N/A HIS 45.A ND1 ARG 41.A O no hydrogen 3.098 N/A SER 46.A OG ILE 42.A O no hydrogen 2.404 N/A VAL 48.A N SER 46.A OG no hydrogen 2.738 N/A VAL 52.A N SER 39.A OG no hydrogen 3.017 N/A SER 53.A N VAL 87.A O no hydrogen 2.956 N/A SER 53.A OG ARG 99.A O no hydrogen 2.738 N/A ASP 56.A N SER 53.A OG no hydrogen 2.866 N/A MET 57.A N SER 53.A O no hydrogen 3.378 N/A LEU 58.A N ALA 54.A O no hydrogen 2.795 N/A THR 59.A N GLU 55.A O no hydrogen 2.877 N/A THR 59.A OG1 GLU 55.A O no hydrogen 2.735 N/A THR 59.A OG1 LYS 125.A O no hydrogen 3.476 N/A CYS 60.A N ASP 56.A O no hydrogen 3.004 N/A CYS 60.A SG ASP 56.A OD2 no hydrogen 3.788 N/A CYS 60.A SG THR 59.A OG1 no hydrogen 3.734 N/A CYS 60.A SG TYR 138.A OH no hydrogen 3.870 N/A CYS 61.A N MET 57.A O no hydrogen 3.419 N/A CYS 61.A SG GLY 62.A O no hydrogen 4.021 N/A CYS 61.A SG GLU 64.A OE1 no hydrogen 3.524 N/A CYS 65.A N GLY 62.A O no hydrogen 2.940 N/A CYS 65.A SG GLU 64.A OE1 no hydrogen 3.671 N/A GLY 66.A N GLY 63.A O no hydrogen 2.985 N/A ASP 67.A N GLY 71.A O no hydrogen 2.784 N/A CYS 69.A N THR 123.A OG1 no hydrogen 2.820 N/A ASN 70.A N ASP 67.A O no hydrogen 2.806 N/A GLY 71.A N GLY 68.A O no hydrogen 3.113 N/A PHE 73.A N CYS 65.A O no hydrogen 2.721 N/A ALA 77.A N PHE 73.A O no hydrogen 3.096 N/A TRP 78.A N PRO 74.A O no hydrogen 3.273 N/A TRP 78.A NE1 GLU 169.A OE2 no hydrogen 2.924 N/A ASN 79.A N SER 75.A O no hydrogen 3.146 N/A ASN 79.A ND2 GLU 64.A OE2 no hydrogen 3.207 N/A PHE 80.A N GLY 76.A O no hydrogen 3.084 N/A TRP 81.A N ALA 77.A O no hydrogen 3.207 N/A THR 82.A N TRP 78.A O no hydrogen 3.248 N/A THR 82.A OG1 ASN 79.A O no hydrogen 2.721 N/A LYS 83.A N ASN 79.A O no hydrogen 2.846 N/A LYS 84.A N PHE 80.A O no hydrogen 2.796 N/A GLY 85.A N PHE 80.A O no hydrogen 3.031 N/A LEU 86.A N HIS 143.A O no hydrogen 2.872 N/A VAL 87.A N ASP 56.A OD1 no hydrogen 3.101 N/A SER 88.A N ASP 141.A OD2 no hydrogen 2.842 N/A SER 88.A OG TYR 134.A OH no hydrogen 3.157 N/A SER 88.A OG ASP 141.A OD2 no hydrogen 2.836 N/A GLY 89.A N GLU 51.A O no hydrogen 2.720 N/A GLY 90.A N VAL 96.A O no hydrogen 2.724 N/A SER 94.A N LEU 91.A O no hydrogen 3.001 N/A SER 94.A OG LEU 91.A O no hydrogen 2.620 N/A HIS 95.A ND1 ASN 93.A O no hydrogen 3.243 N/A VAL 96.A N SER 94.A OG no hydrogen 3.120 N/A CYS 98.A N SER 88.A OG no hydrogen 3.032 N/A CYS 98.A SG THR 129.A O no hydrogen 3.896 N/A ARG 99.A N SER 88.A O no hydrogen 2.859 N/A ARG 99.A NH1 ASP 56.A OD2 no hydrogen 3.159 N/A ARG 99.A NH1 THR 59.A OG1 no hydrogen 3.227 N/A ARG 99.A NH2 THR 59.A OG1 no hydrogen 3.127 N/A ARG 99.A NH2 LYS 125.A O no hydrogen 3.096 N/A TYR 101.A N GLY 90.A O no hydrogen 2.914 N/A TYR 101.A OH GLN 23.A O no hydrogen 2.606 N/A TYR 101.A OH SER 28.A OG no hydrogen 3.056 N/A SER 102.A N GLU 55.A OE1 no hydrogen 2.921 N/A SER 102.A OG GLU 55.A OE1 no hydrogen 3.156 N/A SER 102.A OG GLU 55.A OE2 no hydrogen 2.617 N/A CYS 106.A N ASP 22.A OD1 no hydrogen 2.980 N/A CYS 106.A SG SER 25.A OG no hydrogen 3.661 N/A CYS 106.A SG HIS 108.A NE2 no hydrogen 3.680 N/A GLU 107.A N PRO 115.A O no hydrogen 2.891 N/A HIS 108.A NE2 ASP 22.A OD2 no hydrogen 2.664 N/A ARG 114.A N GLU 107.A OE2 no hydrogen 2.982 N/A CYS 117.A N GLU 107.A O no hydrogen 3.090 N/A THR 118.A N SER 25.A OG no hydrogen 2.877 N/A THR 118.A OG1 SER 25.A OG no hydrogen 3.383 N/A THR 118.A OG1 GLU 120.A O no hydrogen 3.345 N/A SER 127.A OG THR 129.A OG1 no hydrogen 2.828 N/A THR 129.A OG1 SER 127.A OG no hydrogen 2.828 N/A CYS 130.A SG PRO 136.A O no hydrogen 3.749 N/A GLU 131.A N CYS 98.A O no hydrogen 2.832 N/A TYR 134.A N GLU 131.A O no hydrogen 3.270 N/A TYR 134.A OH ASP 141.A OD1 no hydrogen 2.575 N/A SER 137.A N GLU 140.A OE1 no hydrogen 3.316 N/A TYR 138.A OH ASP 56.A OD2 no hydrogen 2.588 N/A GLU 140.A N SER 137.A OG no hydrogen 3.224 N/A ASP 141.A N SER 137.A O no hydrogen 2.889 N/A ASP 141.A N TYR 138.A O no hydrogen 3.127 N/A LYS 142.A N LYS 139.A O no hydrogen 3.424 N/A LYS 142.A NZ ASP 56.A OD1 no hydrogen 2.806 N/A LYS 142.A NZ LYS 84.A O no hydrogen 3.550 N/A LYS 142.A NZ GLY 85.A O no hydrogen 2.797 N/A LYS 142.A NZ TYR 138.A OH no hydrogen 3.091 N/A HIS 143.A N LEU 86.A O no hydrogen 2.752 N/A GLY 145.A N TRP 81.A O no hydrogen 2.988 N/A CYS 146.A N MET 248.A O no hydrogen 2.684 N/A SER 148.A OG ASN 79.A OD1 no hydrogen 2.873 N/A TYR 149.A N ALA 246.A O no hydrogen 2.924 N/A TYR 149.A OH GLU 161.A OE2 no hydrogen 2.671 N/A VAL 151.A N ILE 244.A O no hydrogen 2.910 N/A ASN 153.A ND2 ASP 236.A OD2 no hydrogen 3.292 N/A ASN 154.A N ALA 152.A O no hydrogen 2.640 N/A LYS 156.A NZ GLU 155.A OE2 no hydrogen 3.245 N/A GLU 157.A N ASN 154.A OD1 no hydrogen 2.911 N/A ILE 158.A N ASN 154.A O no hydrogen 2.868 N/A MET 159.A N GLU 155.A O no hydrogen 2.922 N/A ALA 160.A N LYS 156.A O no hydrogen 2.876 N/A GLU 161.A N GLU 157.A O no hydrogen 3.019 N/A ILE 162.A N ILE 158.A O no hydrogen 3.101 N/A TYR 163.A N MET 159.A O no hydrogen 2.855 N/A LYS 164.A N ALA 160.A O no hydrogen 2.954 N/A ASN 165.A N GLU 161.A O no hydrogen 2.753 N/A ASN 165.A ND2 HIS 45.A NE2 no hydrogen 3.434 N/A GLY 166.A N ILE 162.A O no hydrogen 2.854 N/A VAL 168.A N ILE 201.A O no hydrogen 3.090 N/A GLU 169.A N VAL 245.A O no hydrogen 3.059 N/A GLY 170.A N ILE 199.A O no hydrogen 2.932 N/A PHE 172.A N HIS 197.A O no hydrogen 3.100 N/A SER 173.A N CYS 238.A O no hydrogen 2.829 N/A VAL 174.A N GLY 195.A O no hydrogen 2.896 N/A SER 176.A N GLU 192.A O no hydrogen 3.015 N/A PHE 178.A N TYR 175.A O no hydrogen 2.967 N/A LEU 179.A N SER 176.A O no hydrogen 3.094 N/A TYR 181.A N PHE 178.A O no hydrogen 2.991 N/A TYR 181.A OH GLY 184.A O no hydrogen 2.566 N/A TYR 186.A N LYS 230.A O no hydrogen 2.779 N/A TYR 186.A OH ASP 177.A OD2 no hydrogen 2.650 N/A VAL 189.A N ASP 177.A OD1 no hydrogen 2.865 N/A SER 190.A N ASP 177.A OD1 no hydrogen 3.151 N/A MET 194.A N VAL 174.A O no hydrogen 2.611 N/A HIS 197.A N PHE 172.A O no hydrogen 2.918 N/A HIS 197.A NE2 ASN 217.A OD1 no hydrogen 2.695 N/A ILE 199.A N GLY 170.A O no hydrogen 2.789 N/A ARG 200.A N GLY 216.A O no hydrogen 3.332 N/A ARG 200.A NE ASP 40.A OD2 no hydrogen 2.509 N/A ARG 200.A NH1 ILE 17.A O no hydrogen 3.336 N/A ARG 200.A NH2 ILE 17.A O no hydrogen 2.408 N/A ILE 201.A N VAL 168.A O no hydrogen 2.943 N/A LEU 202.A N LEU 214.A O no hydrogen 2.978 N/A TRP 204.A N PHE 5.A O no hydrogen 2.887 N/A TRP 204.A NE1 PRO 2.A O no hydrogen 3.091 N/A GLY 205.A N TYR 212.A O no hydrogen 3.118 N/A GLU 207.A N THR 210.A O no hydrogen 2.898 N/A THR 210.A N GLU 207.A O no hydrogen 2.871 N/A TYR 212.A N GLY 205.A O no hydrogen 2.871 N/A TRP 213.A N ILE 231.A O no hydrogen 2.870 N/A TRP 213.A NE1 GLU 241.A OE2 no hydrogen 2.768 N/A LEU 214.A N GLY 203.A O no hydrogen 2.830 N/A VAL 215.A N PHE 229.A O no hydrogen 2.873 N/A GLY 216.A N ARG 200.A O no hydrogen 2.823 N/A ASN 217.A N GLY 227.A O no hydrogen 3.038 N/A SER 218.A N ASN 217.A OD1 no hydrogen 2.749 N/A SER 218.A OG GLN 23.A OE1 no hydrogen 2.626 N/A ASN 220.A N ARG 21.A O no hydrogen 3.068 N/A ASN 220.A ND2 ASP 22.A OD1 no hydrogen 2.946 N/A THR 221.A N ASN 220.A OD1 no hydrogen 2.663 N/A THR 221.A OG1 ASN 220.A OD1 no hydrogen 3.322 N/A TRP 223.A NE1 LEU 179.A O no hydrogen 2.974 N/A ASP 225.A N PHE 228.A O no hydrogen 2.937 N/A GLY 227.A N TRP 223.A O no hydrogen 2.904 N/A PHE 228.A N ASP 225.A O no hydrogen 2.941 N/A PHE 229.A N VAL 215.A O no hydrogen 2.896 N/A LYS 230.A N TYR 181.A OH no hydrogen 3.295 N/A LYS 230.A NZ GLU 207.A OE1 no hydrogen 2.950 N/A LYS 230.A NZ TYR 212.A OH no hydrogen 3.501 N/A ILE 231.A N TRP 213.A O no hydrogen 3.253 N/A LEU 232.A N TYR 186.A O no hydrogen 3.142 N/A ARG 233.A N PRO 211.A O no hydrogen 2.947 N/A ARG 233.A NE TYR 212.A O no hydrogen 2.985 N/A ARG 233.A NH1 GLU 155.A OE1 no hydrogen 2.565 N/A ARG 233.A NH2 GLY 205.A O no hydrogen 2.968 N/A GLY 234.A N GLU 241.A OE2 no hydrogen 2.857 N/A ASP 236.A N GLU 241.A OE1 no hydrogen 2.866 N/A CYS 238.A SG SER 173.A O no hydrogen 3.699 N/A GLY 239.A N ASP 236.A O no hydrogen 2.889 N/A ILE 240.A N HIS 237.A O no hydrogen 2.998 N/A GLU 241.A N ASP 236.A OD1 no hydrogen 3.021 N/A SER 242.A N GLY 239.A O no hydrogen 2.948 N/A SER 242.A OG GLY 239.A O no hydrogen 2.827 N/A VAL 245.A N GLU 169.A O no hydrogen 2.955 N/A ALA 246.A N TYR 149.A O no hydrogen 3.041 N/A MET 248.A N SER 147.A O no hydrogen 3.282 N/A MET 248.A N SER 147.A OG no hydrogen 3.035 N/A CYS 250.A N PHE 144.A O no hydrogen 3.086 N/A CYS 250.A SG PHE 144.A O no hydrogen 3.590 N/A