Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d5k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N VAL 75.A O no hydrogen 2.958 N/A ARG 5.A NH1 PRO 80.A O no hydrogen 2.789 N/A ARG 5.A NH2 GLU 78.A O no hydrogen 2.859 N/A ARG 5.A NH2 PRO 80.A O no hydrogen 3.050 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 2.753 N/A ARG 7.A N GLN 4.A O no hydrogen 2.914 N/A ILE 8.A N ARG 5.A O no hydrogen 2.952 N/A GLU 9.A N ILE 26.A O no hydrogen 2.819 N/A GLY 11.A N GLN 24.A O no hydrogen 2.808 N/A CYS 13.A SG GLY 15.A O no hydrogen 3.640 N/A CYS 13.A SG VAL 22.A O no hydrogen 3.664 N/A ILE 14.A N VAL 22.A O no hydrogen 2.737 N/A GLY 15.A N VAL 22.A O no hydrogen 3.212 N/A VAL 22.A N GLY 15.A O no hydrogen 2.830 N/A HIS 23.A N ILE 39.A O no hydrogen 2.898 N/A GLN 24.A N ARG 12.A O no hydrogen 2.812 N/A GLY 25.A N VAL 37.A O no hydrogen 2.979 N/A ILE 26.A N GLU 9.A O no hydrogen 3.002 N/A TYR 27.A N MET 35.A O no hydrogen 2.818 N/A MET 28.A N ARG 7.A O no hydrogen 2.801 N/A SER 29.A N ASN 32.A O no hydrogen 2.811 N/A SER 29.A OG ASN 32.A O no hydrogen 2.637 N/A ASN 32.A N SER 29.A O no hydrogen 3.237 N/A ALA 34.A N ASN 32.A OD1 no hydrogen 2.913 N/A MET 35.A N TYR 27.A O no hydrogen 2.946 N/A VAL 37.A N GLY 25.A O no hydrogen 3.057 N/A ALA 38.A N MET 85.A O no hydrogen 2.863 N/A ILE 39.A N HIS 23.A O no hydrogen 2.689 N/A LYS 40.A N ILE 83.A O no hydrogen 2.759 N/A LYS 40.A NZ ASP 150.A OD2 no hydrogen 3.256 N/A THR 41.A N ASP 21.A O no hydrogen 3.065 N/A THR 41.A OG1 ASP 21.A O no hydrogen 2.697 N/A CYS 42.A SG LYS 43.A O no hydrogen 3.687 N/A LYS 43.A N PHE 19.A O no hydrogen 2.876 N/A CYS 45.A SG ASN 79.A OD1 no hydrogen 3.297 N/A SER 47.A N ASN 44.A O no hydrogen 3.032 N/A SER 49.A OG SER 47.A OG no hydrogen 3.022 N/A ARG 51.A N SER 47.A O no hydrogen 2.993 N/A ARG 51.A NE CYS 45.A O no hydrogen 3.337 N/A ARG 51.A NH1 THR 77.A O no hydrogen 2.857 N/A GLU 52.A N ASP 48.A O no hydrogen 2.911 N/A LYS 53.A N SER 49.A O no hydrogen 3.338 N/A PHE 54.A N VAL 50.A O no hydrogen 2.879 N/A LEU 55.A N ARG 51.A O no hydrogen 3.008 N/A GLN 56.A N GLU 52.A O no hydrogen 3.065 N/A GLN 56.A NE2 THR 60.A OG1 no hydrogen 3.301 N/A GLU 57.A N PHE 54.A O no hydrogen 3.234 N/A LEU 59.A N LEU 55.A O no hydrogen 3.247 N/A THR 60.A N GLN 56.A O no hydrogen 2.986 N/A THR 60.A OG1 GLN 56.A O no hydrogen 3.096 N/A MET 61.A N GLU 57.A O no hydrogen 2.876 N/A ARG 62.A N ALA 58.A O no hydrogen 3.016 N/A GLN 63.A N THR 60.A O no hydrogen 3.052 N/A PHE 64.A N MET 61.A O no hydrogen 3.213 N/A ASP 65.A N TYR 122.A OH no hydrogen 2.904 N/A HIS 68.A N HIS 66.A ND1 no hydrogen 3.093 N/A ILE 69.A N HIS 66.A O no hydrogen 3.194 N/A VAL 70.A N LEU 148.A O no hydrogen 2.982 N/A LYS 71.A N GLU 86.A OE1 no hydrogen 3.088 N/A LYS 71.A NZ HIS 66.A O no hydrogen 3.321 N/A ILE 73.A N ILE 84.A O no hydrogen 2.797 N/A GLY 74.A N ILE 84.A O no hydrogen 2.971 N/A VAL 75.A N TYR 1.A O no hydrogen 2.853 N/A ILE 76.A N TRP 82.A O no hydrogen 2.857 N/A THR 77.A N GLU 2.A OE2 no hydrogen 3.041 N/A THR 77.A OG1 GLU 2.A OE1 no hydrogen 2.832 N/A THR 77.A OG1 GLU 2.A OE2 no hydrogen 3.368 N/A TRP 82.A N ILE 76.A O no hydrogen 3.018 N/A ILE 83.A N LYS 40.A O no hydrogen 2.981 N/A ILE 84.A N GLY 74.A O no hydrogen 2.757 N/A MET 85.A N ALA 38.A O no hydrogen 2.876 N/A GLU 86.A N LYS 71.A O no hydrogen 2.984 N/A CYS 88.A SG SER 141.A OG.A no hydrogen 3.180 N/A LEU 90.A N VAL 140.A O no hydrogen 2.963 N/A GLY 91.A N CYS 88.A O no hydrogen 3.104 N/A LEU 93.A N VAL 138.A O no hydrogen 2.954 N/A ARG 94.A NE GLY 188.A O no hydrogen 3.064 N/A ARG 94.A NH2 GLY 188.A O no hydrogen 2.823 N/A SER 95.A OG.B GLU 92.A O no hydrogen 3.236 N/A PHE 96.A N GLU 92.A O no hydrogen 3.155 N/A LEU 97.A N LEU 93.A O no hydrogen 2.932 N/A GLN 98.A N ARG 94.A O no hydrogen 3.080 N/A VAL 99.A N SER 95.A O no hydrogen 2.934 N/A ARG 100.A N PHE 96.A O no hydrogen 2.955 N/A LYS 101.A N GLN 98.A O no hydrogen 3.457 N/A SER 103.A N ARG 100.A O no hydrogen 2.811 N/A LEU 104.A N ARG 100.A O no hydrogen 2.902 N/A SER 108.A N ASP 105.A OD1 no hydrogen 3.018 N/A SER 108.A OG ASP 105.A OD1 no hydrogen 2.704 N/A LEU 109.A N ASP 105.A O no hydrogen 3.262 N/A ILE 110.A N LEU 106.A O no hydrogen 2.910 N/A LEU 111.A N ALA 107.A O no hydrogen 2.918 N/A TYR 112.A N SER 108.A O no hydrogen 3.026 N/A TYR 112.A OH THR 143.A O no hydrogen 2.717 N/A ALA 113.A N LEU 109.A O no hydrogen 3.189 N/A TYR 114.A N ILE 110.A O no hydrogen 2.872 N/A GLN 115.A N LEU 111.A O no hydrogen 2.810 N/A GLN 115.A NE2 ASP 144.A O no hydrogen 2.918 N/A LEU 116.A N TYR 112.A O no hydrogen 3.046 N/A SER 117.A N ALA 113.A O no hydrogen 2.951 N/A SER 117.A OG TYR 114.A O no hydrogen 2.723 N/A THR 118.A N TYR 114.A O no hydrogen 3.018 N/A THR 118.A N GLN 115.A O no hydrogen 3.083 N/A THR 118.A OG1 GLN 115.A O no hydrogen 2.611 N/A ALA 119.A N GLN 115.A O no hydrogen 3.202 N/A LEU 120.A N LEU 116.A O no hydrogen 2.933 N/A ALA 121.A N SER 117.A O no hydrogen 2.799 N/A TYR 122.A N THR 118.A O no hydrogen 3.055 N/A LEU 123.A N ALA 119.A O no hydrogen 2.973 N/A GLU 124.A N LEU 120.A O no hydrogen 2.928 N/A SER 125.A N ALA 121.A O no hydrogen 2.885 N/A SER 125.A OG TYR 122.A O no hydrogen 2.647 N/A LYS 126.A N TYR 122.A O no hydrogen 3.204 N/A LYS 126.A N LEU 123.A O no hydrogen 3.024 N/A ARG 127.A N GLU 124.A O no hydrogen 3.005 N/A PHE 128.A N LEU 123.A O no hydrogen 3.020 N/A HIS 130.A N ASP 173.A OD2 no hydrogen 2.827 N/A ARG 131.A N ASP 173.A OD1 no hydrogen 2.899 N/A ARG 131.A NH1 VAL 129.A O no hydrogen 3.540 N/A ALA 135.A N GLU 183.A OE1 no hydrogen 2.911 N/A ARG 136.A NH2 ASP 132.A OD1 no hydrogen 2.829 N/A ASN 137.A N ALA 134.A O no hydrogen 3.005 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.708 N/A VAL 138.A N ALA 135.A O no hydrogen 3.089 N/A LEU 139.A N LYS 147.A O no hydrogen 2.815 N/A VAL 140.A N GLY 91.A O no hydrogen 2.801 N/A SER 141.A N CYS 145.A O no hydrogen 2.844 N/A ALA 142.A N CYS 145.A O no hydrogen 3.209 N/A CYS 145.A N ALA 142.A O no hydrogen 2.985 N/A CYS 145.A SG HIS 68.A NE2 no hydrogen 3.799 N/A VAL 146.A N GLN 115.A OE1 no hydrogen 2.926 N/A LYS 147.A N LEU 139.A O no hydrogen 2.804 N/A LYS 147.A NZ PRO 67.A O no hydrogen 3.361 N/A LYS 147.A NZ GLU 86.A OE2 no hydrogen 2.734 N/A LEU 148.A N HIS 68.A O no hydrogen 2.864 N/A GLY 149.A N ASN 137.A O no hydrogen 2.796 N/A PHE 151.A N GLU 57.A OE2 no hydrogen 3.317 N/A ILE 155.A N LEU 153.A O no hydrogen 2.760 N/A LYS 156.A NZ PHE 192.A O no hydrogen 2.906 N/A LYS 156.A NZ VAL 195.A O no hydrogen 2.733 N/A TRP 157.A N PRO 154.A O no hydrogen 2.964 N/A TRP 157.A NE1 GLU 183.A OE1 no hydrogen 2.819 N/A MET 158.A N ILE 155.A O no hydrogen 3.137 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.854 N/A SER 162.A N ALA 159.A O no hydrogen 2.869 N/A SER 162.A OG ARG 167.A O no hydrogen 2.819 N/A ILE 163.A N ALA 159.A O no hydrogen 3.148 N/A ASN 164.A N PRO 160.A O no hydrogen 2.855 N/A ASN 164.A ND2 GLU 205.A OE2 no hydrogen 3.222 N/A PHE 165.A N GLU 161.A O no hydrogen 3.061 N/A ARG 166.A N SER 162.A O no hydrogen 2.911 N/A ARG 167.A N GLU 161.A O no hydrogen 3.404 N/A THR 169.A N SER 172.A OG no hydrogen 2.820 N/A SER 172.A N THR 169.A OG1 no hydrogen 3.199 N/A SER 172.A OG THR 169.A O no hydrogen 2.963 N/A ASP 173.A N THR 169.A O no hydrogen 3.020 N/A VAL 174.A N SER 170.A O no hydrogen 3.233 N/A TRP 175.A N ALA 171.A O no hydrogen 3.238 N/A MET 176.A N SER 172.A O no hydrogen 3.113 N/A PHE 177.A N ASP 173.A O no hydrogen 2.807 N/A GLY 178.A N VAL 174.A O no hydrogen 2.935 N/A VAL 179.A N TRP 175.A O no hydrogen 3.187 N/A CYS 180.A N MET 176.A O no hydrogen 2.870 N/A MET 181.A N PHE 177.A O no hydrogen 2.823 N/A TRP 182.A N GLY 178.A O no hydrogen 2.989 N/A TRP 182.A NE1 PRO 211.A O no hydrogen 2.751 N/A GLU 183.A N VAL 179.A O no hydrogen 2.895 N/A ILE 184.A N CYS 180.A O no hydrogen 3.053 N/A LEU 185.A N MET 181.A O no hydrogen 2.991 N/A MET 186.A N TRP 182.A O no hydrogen 2.832 N/A MET 186.A N GLU 183.A O no hydrogen 3.240 N/A HIS 187.A N ILE 184.A O no hydrogen 2.878 N/A GLY 188.A N GLU 183.A O no hydrogen 2.874 N/A VAL 195.A N PHE 192.A O no hydrogen 3.129 N/A ASP 199.A N LYS 196.A O no hydrogen 2.887 N/A VAL 200.A N ASN 197.A O no hydrogen 3.255 N/A ARG 203.A N ASP 199.A O no hydrogen 3.428 N/A ILE 204.A N VAL 200.A O no hydrogen 3.057 N/A GLU 205.A N ILE 201.A O no hydrogen 2.875 N/A ASN 206.A N GLY 202.A O no hydrogen 3.042 N/A GLY 207.A N ILE 204.A O no hydrogen 2.928 N/A GLU 208.A N ARG 203.A O no hydrogen 2.942 N/A ARG 209.A NE TRP 228.A O no hydrogen 3.020 N/A ARG 209.A NH1 ILE 204.A O no hydrogen 3.106 N/A ARG 209.A NH1 GLU 208.A O no hydrogen 2.946 N/A ARG 209.A NH2 TRP 228.A O no hydrogen 2.903 N/A CYS 216.A N PRO 213.A O no hydrogen 3.103 N/A CYS 216.A SG PRO 217.A O no hydrogen 3.567 N/A LEU 220.A N PRO 217.A O no hydrogen 2.914 N/A TYR 221.A N PRO 217.A O no hydrogen 3.061 N/A TYR 221.A OH LEU 210.A O no hydrogen 2.647 N/A SER 222.A N PRO 218.A O no hydrogen 2.981 N/A LEU 223.A N THR 219.A O no hydrogen 3.109 N/A MET 224.A N LEU 220.A O no hydrogen 2.996 N/A THR 225.A N TYR 221.A O no hydrogen 2.890 N/A THR 225.A OG1 TYR 221.A O no hydrogen 3.258 N/A LYS 226.A N SER 222.A O no hydrogen 3.070 N/A CYS 227.A N LEU 223.A O no hydrogen 3.214 N/A CYS 227.A SG LEU 223.A O no hydrogen 3.469 N/A TRP 228.A N MET 224.A O no hydrogen 3.198 N/A TRP 228.A N THR 225.A O no hydrogen 3.088 N/A ALA 229.A N LYS 226.A O no hydrogen 3.349 N/A TYR 230.A OH GLU 205.A OE1 no hydrogen 3.056 N/A TYR 230.A OH GLU 205.A OE2 no hydrogen 2.549 N/A SER 233.A N ASP 231.A OD1 no hydrogen 3.023 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 2.777 N/A SER 233.A OG ASP 231.A OD2 no hydrogen 3.391 N/A ARG 234.A N ASP 231.A O no hydrogen 2.972 N/A ARG 235.A N PRO 232.A O no hydrogen 3.094 N/A ARG 235.A NE ALA 229.A O no hydrogen 2.843 N/A ARG 235.A NH1 GLU 161.A OE2 no hydrogen 2.670 N/A ARG 235.A NH1 ALA 171.A O no hydrogen 3.048 N/A ARG 235.A NH2 GLU 161.A OE1 no hydrogen 2.930 N/A ARG 235.A NH2 GLU 161.A OE2 no hydrogen 3.563 N/A ARG 235.A NH2 ALA 229.A O no hydrogen 3.152 N/A PHE 238.A N GLU 124.A OE2 no hydrogen 3.109 N/A LEU 241.A N ARG 237.A O no hydrogen 3.178 N/A LYS 242.A N PHE 238.A O no hydrogen 2.864 N/A ALA 243.A N THR 239.A O no hydrogen 3.114 N/A GLN 244.A N GLU 240.A O no hydrogen 2.940 N/A LEU 245.A N LEU 241.A O no hydrogen 2.794 N/A SER 246.A N LYS 242.A O no hydrogen 2.950 N/A THR 247.A N ALA 243.A O no hydrogen 3.229 N/A THR 247.A OG1 ALA 243.A O no hydrogen 3.328 N/A ILE 248.A N GLN 244.A O no hydrogen 2.900 N/A LEU 249.A N LEU 245.A O no hydrogen 2.884 N/A GLU 250.A N SER 246.A O no hydrogen 2.967 N/A GLU 251.A N THR 247.A O no hydrogen 2.900 N/A GLU 252.A N ILE 248.A O no hydrogen 3.017 N/A LYS 253.A N LEU 249.A O no hydrogen 2.912 N/A LYS 253.A NZ GLU 250.A OE2 no hydrogen 3.229 N/A LEU 254.A N GLU 250.A O no hydrogen 2.881 N/A GLN 255.A N GLU 252.A O no hydrogen 3.139 N/A