Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pb8_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A N LEU 3.A O no hydrogen 2.907 N/A SER 6.A OG LEU 3.A O no hydrogen 2.690 N/A LEU 7.A N GLU 309.A OE2 no hydrogen 2.867 N/A LEU 12.A N PRO 8.A O no hydrogen 2.965 N/A ARG 13.A N GLU 9.A O no hydrogen 2.887 N/A ARG 13.A NE GLU 9.A OE1 no hydrogen 2.785 N/A ARG 13.A NH2 GLU 9.A OE1 no hydrogen 3.324 N/A ARG 13.A NH2 LEU 233.A O no hydrogen 3.072 N/A ARG 14.A N ALA 10.A O no hydrogen 2.990 N/A ARG 14.A NE GLN 18.A OE1 no hydrogen 2.892 N/A ARG 14.A NH2 GLU 135.A OE2 no hydrogen 2.791 N/A ARG 14.A NH2 LEU 313.A O no hydrogen 3.222 N/A VAL 15.A N ARG 11.A O no hydrogen 2.947 N/A VAL 16.A N LEU 12.A O no hydrogen 2.937 N/A GLY 17.A N ARG 13.A O no hydrogen 2.922 N/A GLN 18.A N ARG 14.A O no hydrogen 3.126 N/A GLN 18.A N VAL 15.A O no hydrogen 3.028 N/A GLN 18.A NE2 ALA 131.A O no hydrogen 3.047 N/A GLN 18.A NE2 GLU 135.A OE1 no hydrogen 3.406 N/A GLN 18.A NE2 GLU 135.A OE2 no hydrogen 2.832 N/A LEU 19.A N VAL 16.A O no hydrogen 3.175 N/A ASP 20.A N GLU 127.A OE2 no hydrogen 2.809 N/A GLN 22.A NE2 GLN 22.A O no hydrogen 3.686 N/A GLN 22.A NE2 SER 26.A OG no hydrogen 2.781 N/A ARG 23.A N ASP 20.A OD1 no hydrogen 3.077 N/A ARG 23.A NE GLU 127.A OE1 no hydrogen 2.777 N/A ARG 23.A NH2 GLN 18.A O no hydrogen 3.161 N/A ARG 23.A NH2 GLU 127.A OE1 no hydrogen 3.423 N/A ARG 23.A NH2 GLU 127.A OE2 no hydrogen 2.778 N/A LEU 24.A N ASP 20.A O no hydrogen 2.986 N/A TRP 25.A N PRO 21.A O no hydrogen 3.020 N/A TRP 25.A NE1 GLU 288.A OE2 no hydrogen 2.815 N/A SER 26.A N GLN 22.A O no hydrogen 2.830 N/A SER 26.A OG GLN 22.A O no hydrogen 3.409 N/A THR 27.A N ARG 23.A O no hydrogen 2.888 N/A TYR 28.A N ARG 23.A O no hydrogen 3.186 N/A LEU 29.A N LEU 24.A O no hydrogen 2.892 N/A ARG 30.A N TRP 25.A O no hydrogen 2.882 N/A ARG 30.A NE GLU 288.A OE1 no hydrogen 2.857 N/A ARG 30.A NH2 GLU 288.A OE1 no hydrogen 3.518 N/A ARG 30.A NH2 GLU 288.A OE2 no hydrogen 2.923 N/A LEU 32.A N LEU 29.A O no hydrogen 2.917 N/A LEU 33.A N ARG 30.A O no hydrogen 3.144 N/A VAL 34.A N LEU 32.A O no hydrogen 2.819 N/A ARG 36.A N SER 102.A OG no hydrogen 2.839 N/A ARG 36.A NE TYR 100.A O no hydrogen 2.779 N/A ARG 36.A NH1 VAL 34.A O no hydrogen 2.909 N/A ARG 36.A NH1 VAL 113.A O no hydrogen 2.732 N/A ARG 36.A NH2 VAL 113.A O no hydrogen 3.181 N/A ARG 36.A NH2 GLY 114.A O no hydrogen 3.254 N/A SER 40.A N THR 37.A O no hydrogen 2.976 N/A SER 40.A OG THR 37.A O no hydrogen 2.693 N/A ASN 43.A N SER 40.A OG no hydrogen 3.021 N/A ASN 43.A ND2 ARG 36.A O no hydrogen 3.127 N/A ASN 43.A ND2 ASP 154.A OD1 no hydrogen 2.937 N/A LEU 44.A N SER 40.A O no hydrogen 2.984 N/A GLN 45.A N PRO 41.A O no hydrogen 2.835 N/A VAL 46.A N GLY 42.A O no hydrogen 2.878 N/A ARG 47.A N ASN 43.A O no hydrogen 2.854 N/A ARG 47.A NE TYR 100.A OH no hydrogen 2.811 N/A ARG 47.A NH2 TYR 100.A OH no hydrogen 3.227 N/A ARG 47.A NH2 ASP 154.A OD2 no hydrogen 3.200 N/A LYS 48.A N LEU 44.A O no hydrogen 2.939 N/A LYS 48.A NZ GLU 51.A OE1 no hydrogen 3.274 N/A PHE 49.A N GLN 45.A O no hydrogen 2.951 N/A LEU 50.A N VAL 46.A O no hydrogen 2.869 N/A GLU 51.A N ARG 47.A O no hydrogen 2.947 N/A ALA 52.A N LYS 48.A O no hydrogen 2.874 N/A THR 53.A N PHE 49.A O no hydrogen 2.901 N/A THR 53.A OG1 PHE 49.A O no hydrogen 2.801 N/A LEU 54.A N LEU 50.A O no hydrogen 2.922 N/A ARG 55.A N GLU 51.A O no hydrogen 2.892 N/A ARG 55.A NH1 GLU 51.A OE1 no hydrogen 2.788 N/A ARG 55.A NH2 VAL 63.A O no hydrogen 2.981 N/A SER 56.A N ALA 52.A O no hydrogen 3.013 N/A SER 56.A N THR 53.A O no hydrogen 3.140 N/A SER 56.A OG THR 53.A O no hydrogen 2.687 N/A LEU 57.A N LEU 54.A O no hydrogen 3.237 N/A THR 58.A OG1 ASP 133.A OD2 no hydrogen 2.624 N/A ALA 59.A N ASP 133.A OD1 no hydrogen 2.819 N/A GLY 60.A N LEU 57.A O no hydrogen 3.151 N/A HIS 62.A N THR 85.A O no hydrogen 2.904 N/A GLU 64.A N VAL 83.A O no hydrogen 2.920 N/A ASP 66.A N ASN 81.A O no hydrogen 2.844 N/A PHE 68.A N PHE 79.A O no hydrogen 2.904 N/A THR 69.A OG1 ASP 78.A OD1 no hydrogen 2.742 N/A ALA 70.A N VAL 77.A O no hydrogen 2.911 N/A THR 72.A N GLY 75.A O no hydrogen 3.194 N/A THR 72.A OG1 GLY 75.A O no hydrogen 2.730 N/A LEU 74.A N THR 72.A OG1 no hydrogen 2.864 N/A GLY 75.A N THR 72.A O no hydrogen 2.943 N/A VAL 77.A N ALA 70.A O no hydrogen 2.967 N/A PHE 79.A N PHE 68.A O no hydrogen 2.818 N/A GLY 80.A N ASP 154.A OD2 no hydrogen 2.843 N/A ASN 81.A N ASP 66.A O no hydrogen 3.006 N/A ASN 81.A ND2 ASP 66.A OD2 no hydrogen 2.902 N/A ASN 81.A ND2 GLY 170.A O no hydrogen 2.961 N/A VAL 82.A N PHE 152.A O no hydrogen 2.880 N/A VAL 83.A N GLU 64.A O no hydrogen 2.875 N/A ALA 84.A N LEU 150.A O no hydrogen 2.937 N/A THR 85.A N HIS 62.A O no hydrogen 2.816 N/A THR 85.A OG1 GLN 149.A OE1 no hydrogen 3.077 N/A LEU 86.A N LEU 148.A O no hydrogen 2.893 N/A ASP 87.A N THR 147.A OG1 no hydrogen 3.109 N/A ARG 89.A N ASP 87.A OD2 no hydrogen 2.978 N/A ARG 89.A NH1 ASP 87.A OD1 no hydrogen 2.947 N/A ARG 89.A NH1 LYS 140.A O no hydrogen 3.016 N/A ALA 90.A N ASP 87.A O no hydrogen 3.100 N/A ARG 92.A N PRO 145.A O no hydrogen 3.295 N/A ARG 92.A NH1 GLN 191.A O no hydrogen 2.665 N/A HIS 93.A N ALA 192.A O no hydrogen 2.848 N/A HIS 93.A ND1 THR 95.A OG1 no hydrogen 2.964 N/A LEU 94.A N THR 147.A O no hydrogen 2.989 N/A THR 95.A N LEU 195.A O no hydrogen 2.885 N/A LEU 96.A N GLN 149.A O no hydrogen 2.856 N/A ALA 97.A N MET 197.A O no hydrogen 2.922 N/A CYS 98.A N LEU 151.A O no hydrogen 3.011 N/A CYS 98.A SG LEU 151.A O no hydrogen 3.994 N/A HIS 99.A ND1 ASP 101.A OD1 no hydrogen 2.754 N/A HIS 99.A NE2 ASP 117.A OD1 no hydrogen 2.769 N/A TYR 100.A N LEU 153.A O no hydrogen 2.803 N/A TYR 100.A OH GLY 80.A O no hydrogen 2.595 N/A SER 102.A N ARG 36.A O no hydrogen 2.997 N/A LYS 103.A NZ GLU 161.A OE1 no hydrogen 2.722 N/A ALA 115.A N ASP 286.A O no hydrogen 2.993 N/A THR 116.A N ASP 286.A OD1 no hydrogen 2.864 N/A THR 116.A OG1 ASP 286.A OD1 no hydrogen 3.358 N/A THR 116.A OG1 ASP 286.A OD2 no hydrogen 2.838 N/A ASP 117.A N GLY 114.A O no hydrogen 3.021 N/A ALA 119.A N GLY 114.A O no hydrogen 3.163 N/A VAL 120.A N ALA 115.A O no hydrogen 2.888 N/A CYS 122.A N SER 118.A O no hydrogen 3.011 N/A CYS 122.A SG HIS 99.A O no hydrogen 3.578 N/A CYS 122.A SG SER 118.A O no hydrogen 3.411 N/A ALA 123.A N ALA 119.A O no hydrogen 2.929 N/A LEU 124.A N VAL 120.A O no hydrogen 2.846 N/A LEU 125.A N PRO 121.A O no hydrogen 3.136 N/A LEU 126.A N CYS 122.A O no hydrogen 3.179 N/A GLU 127.A N ALA 123.A O no hydrogen 2.956 N/A LEU 128.A N LEU 124.A O no hydrogen 2.916 N/A ALA 129.A N LEU 125.A O no hydrogen 3.058 N/A GLN 130.A N LEU 126.A O no hydrogen 3.017 N/A GLN 130.A NE2 TYR 28.A OH no hydrogen 3.298 N/A ALA 131.A N GLU 127.A O no hydrogen 2.792 N/A LEU 132.A N LEU 128.A O no hydrogen 3.041 N/A ASP 133.A N GLN 130.A O no hydrogen 3.060 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.736 N/A LEU 136.A N LEU 132.A O no hydrogen 2.825 N/A SER 137.A N ASP 133.A O no hydrogen 2.834 N/A ARG 138.A N LEU 134.A O no hydrogen 2.964 N/A ALA 139.A N GLU 135.A O no hydrogen 2.898 N/A LYS 140.A N LEU 136.A O no hydrogen 3.043 N/A LYS 140.A NZ GLY 60.A O no hydrogen 2.894 N/A LYS 140.A NZ LEU 86.A O no hydrogen 2.799 N/A LYS 141.A N SER 137.A O no hydrogen 2.874 N/A GLN 142.A N ARG 138.A O no hydrogen 2.949 N/A ALA 143.A N LYS 140.A O no hydrogen 2.868 N/A ALA 144.A N ALA 139.A O no hydrogen 3.006 N/A THR 147.A N ARG 92.A O no hydrogen 2.870 N/A LEU 148.A N THR 147.A OG1 no hydrogen 2.826 N/A GLN 149.A N LEU 94.A O no hydrogen 2.838 N/A LEU 150.A N ALA 84.A O no hydrogen 2.758 N/A LEU 151.A N LEU 96.A O no hydrogen 2.868 N/A PHE 152.A N VAL 82.A O no hydrogen 2.907 N/A LEU 153.A N CYS 98.A O no hydrogen 2.816 N/A ASP 154.A N ASN 81.A OD1 no hydrogen 2.893 N/A GLU 156.A N ASP 101.A OD1 no hydrogen 3.090 N/A GLU 157.A N ASP 101.A OD2 no hydrogen 3.075 N/A LEU 159.A N ASP 166.A OD1 no hydrogen 2.816 N/A LYS 160.A N ASP 166.A OD2 no hydrogen 2.860 N/A TRP 162.A N ASP 166.A OD2 no hydrogen 2.843 N/A ASP 166.A N GLY 163.A O no hydrogen 2.997 N/A SER 167.A OG PRO 164.A O no hydrogen 3.151 N/A LEU 168.A N GLU 156.A O no hydrogen 2.981 N/A TYR 169.A N GLY 155.A O no hydrogen 2.860 N/A TYR 169.A OH ASP 166.A OD1 no hydrogen 2.668 N/A SER 171.A OG LEU 168.A O no hydrogen 3.549 N/A SER 171.A OG ASP 258.A OD1 no hydrogen 2.728 N/A ARG 172.A N LEU 168.A O no hydrogen 2.980 N/A ARG 172.A NH1 PRO 164.A O no hydrogen 2.956 N/A ARG 172.A NH2 PRO 164.A O no hydrogen 3.442 N/A HIS 173.A N TYR 169.A O no hydrogen 3.131 N/A HIS 173.A ND1 ASP 66.A OD2 no hydrogen 2.782 N/A LEU 174.A N GLY 170.A O no hydrogen 2.824 N/A ALA 175.A N SER 171.A O no hydrogen 2.919 N/A GLN 176.A N ARG 172.A O no hydrogen 3.238 N/A LEU 177.A N HIS 173.A O no hydrogen 2.879 N/A MET 178.A N LEU 174.A O no hydrogen 2.789 N/A GLU 179.A N ALA 175.A O no hydrogen 3.014 N/A SER 180.A N GLN 176.A O no hydrogen 3.236 N/A SER 180.A N LEU 177.A O no hydrogen 2.910 N/A SER 180.A OG LEU 177.A O no hydrogen 2.717 N/A ILE 181.A N MET 178.A O no hydrogen 3.205 N/A HIS 183.A N PRO 187.A O no hydrogen 3.039 N/A HIS 183.A NE2 ALA 90.A O no hydrogen 2.991 N/A HIS 183.A NE2 ALA 91.A O no hydrogen 3.121 N/A ARG 189.A N ILE 181.A O no hydrogen 2.953 N/A ARG 189.A NH2 PRO 88.A O no hydrogen 3.065 N/A ILE 190.A N THR 188.A OG1 no hydrogen 3.177 N/A GLN 191.A N THR 188.A O no hydrogen 3.085 N/A GLN 191.A NE2 THR 188.A OG1 no hydrogen 2.687 N/A ALA 192.A N ARG 189.A O no hydrogen 3.105 N/A ILE 193.A N ILE 190.A O no hydrogen 3.219 N/A GLU 194.A N HIS 93.A O no hydrogen 2.825 N/A PHE 196.A N PRO 268.A O no hydrogen 2.851 N/A MET 197.A N THR 95.A O no hydrogen 2.817 N/A LEU 198.A N LEU 270.A O no hydrogen 2.977 N/A LEU 199.A N ALA 97.A O no hydrogen 2.874 N/A ASP 200.A N LEU 272.A O no hydrogen 2.975 N/A LEU 202.A N THR 116.A O no hydrogen 3.084 N/A THR 208.A N SER 274.A OG no hydrogen 3.312 N/A THR 208.A OG1 THR 275.A O no hydrogen 2.798 N/A PHE 209.A N TYR 245.A O no hydrogen 2.762 N/A HIS 212.A ND1 SER 254.A OG no hydrogen 2.751 N/A ARG 215.A NH1 GLY 266.A O no hydrogen 2.939 N/A THR 216.A N PHE 213.A O no hydrogen 2.974 N/A THR 216.A OG1 PHE 213.A O no hydrogen 3.333 N/A THR 216.A OG1 VAL 269.A O no hydrogen 2.713 N/A VAL 217.A N PRO 214.A O no hydrogen 3.222 N/A TRP 219.A N THR 216.A O no hydrogen 2.979 N/A PHE 220.A N THR 216.A O no hydrogen 3.423 N/A HIS 221.A N VAL 217.A O no hydrogen 2.814 N/A ARG 222.A N ARG 218.A O no hydrogen 3.042 N/A ARG 222.A NH2 GLU 309.A OE1 no hydrogen 2.738 N/A LEU 223.A N TRP 219.A O no hydrogen 3.004 N/A ARG 224.A N PHE 220.A O no hydrogen 2.961 N/A ARG 224.A NE PHE 246.A O no hydrogen 2.752 N/A SER 225.A N HIS 221.A O no hydrogen 2.919 N/A ILE 226.A N ARG 222.A O no hydrogen 2.878 N/A GLU 227.A N LEU 223.A O no hydrogen 2.902 N/A LYS 228.A N ARG 224.A O no hydrogen 3.020 N/A ARG 229.A N SER 225.A O no hydrogen 2.893 N/A ARG 229.A NH1 LEU 7.A O no hydrogen 2.758 N/A ARG 229.A NH2 LEU 7.A O no hydrogen 2.839 N/A LEU 230.A N ILE 226.A O no hydrogen 2.856 N/A HIS 231.A N GLU 227.A O no hydrogen 2.971 N/A ARG 232.A N LYS 228.A O no hydrogen 3.007 N/A LEU 233.A N ARG 229.A O no hydrogen 2.850 N/A ASN 234.A N HIS 231.A O no hydrogen 3.064 N/A LEU 235.A N LEU 230.A O no hydrogen 2.920 N/A GLN 237.A N ASN 298.A OD1 no hydrogen 2.968 N/A HIS 239.A NE2 GLU 227.A OE2 no hydrogen 2.684 N/A MET 244.A N GLU 227.A OE2 no hydrogen 2.836 N/A TYR 245.A N GLU 227.A OE2 no hydrogen 2.812 N/A PHE 246.A N GLU 227.A OE1 no hydrogen 2.992 N/A GLN 247.A N PHE 209.A O no hydrogen 2.836 N/A GLN 247.A NE2 MET 244.A O no hydrogen 2.871 N/A SER 254.A OG HIS 212.A ND1 no hydrogen 2.751 N/A ASP 258.A N ASP 257.A OD1 no hydrogen 2.783 N/A ILE 260.A N ASP 257.A O no hydrogen 2.980 N/A PHE 262.A N HIS 259.A O no hydrogen 3.013 N/A LEU 263.A N HIS 259.A O no hydrogen 2.791 N/A ARG 264.A N ILE 260.A O no hydrogen 2.922 N/A ARG 265.A N PHE 262.A O no hydrogen 2.932 N/A ARG 265.A NE GLU 179.A OE1 no hydrogen 2.903 N/A ARG 265.A NH1 PRO 261.A O no hydrogen 2.874 N/A ARG 265.A NH2 GLN 176.A OE1 no hydrogen 2.900 N/A GLY 266.A N LEU 263.A O no hydrogen 2.974 N/A VAL 267.A N PHE 262.A O no hydrogen 3.126 N/A LEU 270.A N PHE 196.A O no hydrogen 2.873 N/A HIS 271.A NE2 ASP 257.A OD2 no hydrogen 2.812 N/A LEU 272.A N LEU 198.A O no hydrogen 2.742 N/A SER 274.A OG PRO 276.A O no hydrogen 2.780 N/A THR 275.A N THR 208.A O no hydrogen 2.877 N/A TRP 281.A N PRO 278.A O no hydrogen 2.993 N/A THR 283.A N VAL 280.A O no hydrogen 3.015 N/A THR 283.A OG1 VAL 280.A O no hydrogen 2.791 N/A ALA 285.A N THR 283.A OG1 no hydrogen 3.232 N/A ASP 286.A N THR 283.A O no hydrogen 3.018 N/A THR 287.A OG1 ALA 285.A O no hydrogen 3.286 N/A ASN 290.A N THR 287.A O no hydrogen 3.172 N/A ASN 290.A ND2 ALA 285.A O no hydrogen 2.858 N/A LEU 291.A N GLU 288.A O no hydrogen 3.067 N/A HIS 292.A N GLY 203.A O no hydrogen 2.906 N/A HIS 292.A ND1 THR 295.A OG1 no hydrogen 2.684 N/A THR 295.A OG1 HIS 292.A ND1 no hydrogen 2.684 N/A VAL 296.A N HIS 292.A O no hydrogen 3.145 N/A HIS 297.A N PRO 293.A O no hydrogen 2.999 N/A ASN 298.A N PRO 294.A O no hydrogen 2.873 N/A ASN 298.A ND2 GLN 237.A O no hydrogen 2.789 N/A ASN 298.A ND2 TYR 245.A OH no hydrogen 2.954 N/A LEU 299.A N THR 295.A O no hydrogen 2.904 N/A CYS 300.A N VAL 296.A O no hydrogen 2.974 N/A ARG 301.A N HIS 297.A O no hydrogen 2.918 N/A ARG 301.A NH1 LEU 235.A O no hydrogen 2.774 N/A ILE 302.A N ASN 298.A O no hydrogen 2.973 N/A LEU 303.A N LEU 299.A O no hydrogen 2.906 N/A ALA 304.A N CYS 300.A O no hydrogen 2.889 N/A VAL 305.A N ARG 301.A O no hydrogen 3.105 N/A PHE 306.A N ILE 302.A O no hydrogen 2.956 N/A LEU 307.A N LEU 303.A O no hydrogen 2.849 N/A ALA 308.A N ALA 304.A O no hydrogen 2.971 N/A GLU 309.A N VAL 305.A O no hydrogen 2.840 N/A TYR 310.A N PHE 306.A O no hydrogen 2.828 N/A TYR 310.A OH GLU 194.A OE2 no hydrogen 2.665 N/A LEU 311.A N LEU 307.A O no hydrogen 2.988 N/A LEU 313.A N ALA 308.A O no hydrogen 2.910 N/A