Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4o0k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N ASP 185.A O no hydrogen 3.107 N/A LYS 5.A NZ VAL 188.A O no hydrogen 3.020 N/A PHE 9.A N ALA 6.A O no hydrogen 3.095 N/A SER 10.A N GLU 7.A O no hydrogen 3.053 N/A SER 10.A OG GLU 7.A O no hydrogen 2.661 N/A GLY 11.A N THR 208.A O no hydrogen 3.230 N/A ILE 13.A N ALA 210.A O no hydrogen 2.871 N/A ALA 15.A N THR 212.A O no hydrogen 2.946 N/A LEU 16.A N VAL 47.A O no hydrogen 3.150 N/A THR 18.A OG1 TYR 48.A OH no hydrogen 2.742 N/A THR 18.A OG1 GLY 53.A O no hydrogen 2.721 N/A CYS 20.A SG LEU 280.A O no hydrogen 3.303 N/A LYS 21.A N SER 25.A O no hydrogen 2.824 N/A ARG 24.A N LYS 21.A O no hydrogen 2.867 N/A ARG 24.A NE HIS 281.A O no hydrogen 2.851 N/A SER 25.A N ASP 23.A OD1 no hydrogen 3.002 N/A SER 25.A OG ASP 23.A OD1 no hydrogen 2.601 N/A SER 25.A OG ASP 23.A OD2 no hydrogen 3.470 N/A ASP 27.A N PRO 19.A O no hydrogen 2.811 N/A ALA 30.A N ASP 27.A OD1 no hydrogen 2.962 N/A LEU 31.A N ASP 27.A O no hydrogen 2.999 N/A VAL 32.A N PHE 28.A O no hydrogen 2.991 N/A ARG 33.A N ASP 29.A O no hydrogen 2.984 N/A LYS 34.A N ALA 30.A O no hydrogen 2.954 N/A LYS 34.A NZ GLU 37.A OE1 no hydrogen 2.814 N/A LYS 34.A NZ ASP 275.A OD2 no hydrogen 2.728 N/A GLY 35.A N LEU 31.A O no hydrogen 2.922 N/A GLN 36.A N VAL 32.A O no hydrogen 2.881 N/A GLU 37.A N ARG 33.A O no hydrogen 2.970 N/A LEU 38.A N LYS 34.A O no hydrogen 2.880 N/A ILE 39.A N GLY 35.A O no hydrogen 3.054 N/A GLY 40.A N GLN 36.A O no hydrogen 2.937 N/A ASP 41.A N GLU 37.A O no hydrogen 2.904 N/A ASP 41.A N LEU 38.A O no hydrogen 3.165 N/A GLY 42.A N ILE 39.A O no hydrogen 2.941 N/A MET 43.A N LEU 38.A O no hydrogen 3.057 N/A SER 44.A N VAL 12.A O no hydrogen 2.859 N/A VAL 46.A N PRO 76.A O no hydrogen 2.991 N/A VAL 47.A N PRO 14.A O no hydrogen 2.891 N/A TYR 48.A N ILE 78.A O no hydrogen 3.024 N/A TYR 48.A OH THR 18.A OG1 no hydrogen 2.742 N/A CYS 49.A SG GLY 50.A O no hydrogen 3.892 N/A CYS 49.A SG GLY 53.A O no hydrogen 3.213 N/A GLY 53.A N GLY 50.A O no hydrogen 2.919 N/A ASP 54.A N SER 51.A O no hydrogen 3.066 N/A TRP 55.A N GLY 50.A O no hydrogen 3.398 N/A LEU 57.A N ASP 54.A O no hydrogen 2.889 N/A LEU 58.A N TRP 55.A O no hydrogen 3.163 N/A THR 59.A N GLN 62.A OE1 no hydrogen 2.933 N/A GLN 62.A N THR 59.A OG1 no hydrogen 3.038 N/A ARG 63.A N THR 59.A O no hydrogen 3.105 N/A ARG 63.A NH1 GLY 82.A O no hydrogen 2.827 N/A ARG 63.A NH2 GLY 80.A O no hydrogen 3.008 N/A ARG 63.A NH2 GLY 82.A O no hydrogen 2.785 N/A MET 64.A N ASP 60.A O no hydrogen 2.952 N/A GLU 65.A N ALA 61.A O no hydrogen 2.908 N/A GLY 66.A N GLN 62.A O no hydrogen 3.032 N/A VAL 67.A N ARG 63.A O no hydrogen 2.916 N/A GLU 68.A N MET 64.A O no hydrogen 2.880 N/A ARG 69.A N GLU 65.A O no hydrogen 2.877 N/A ARG 69.A NH1 ASP 29.A OD1 no hydrogen 3.082 N/A ARG 69.A NH2 ASP 29.A OD1 no hydrogen 2.969 N/A LEU 70.A N GLY 66.A O no hydrogen 2.980 N/A VAL 71.A N VAL 67.A O no hydrogen 2.922 N/A LYS 72.A N GLU 68.A O no hydrogen 2.838 N/A ALA 73.A N ARG 69.A O no hydrogen 3.138 N/A ALA 73.A N LEU 70.A O no hydrogen 3.199 N/A GLY 74.A N VAL 71.A O no hydrogen 2.879 N/A ILE 75.A N LEU 70.A O no hydrogen 3.225 N/A ILE 78.A N VAL 46.A O no hydrogen 2.832 N/A VAL 79.A N GLY 103.A O no hydrogen 2.890 N/A GLY 80.A N TYR 48.A O no hydrogen 3.010 N/A THR 81.A N MET 105.A O no hydrogen 3.104 N/A THR 81.A OG1 MET 105.A O no hydrogen 2.806 N/A SER 88.A N ASN 85.A OD1 no hydrogen 2.982 N/A SER 88.A OG ASP 60.A OD1 no hydrogen 3.145 N/A SER 88.A OG ASP 60.A OD2 no hydrogen 2.719 N/A ALA 89.A N ASN 85.A O no hydrogen 3.086 N/A VAL 90.A N THR 86.A O no hydrogen 2.844 N/A ALA 91.A N ALA 87.A O no hydrogen 2.961 N/A HIS 92.A N SER 88.A O no hydrogen 2.957 N/A HIS 92.A NE2 ASP 60.A OD1 no hydrogen 2.897 N/A ALA 93.A N ALA 89.A O no hydrogen 3.088 N/A ALA 94.A N VAL 90.A O no hydrogen 2.802 N/A HIS 95.A N ALA 91.A O no hydrogen 2.965 N/A HIS 95.A NE2 GLU 68.A OE2.A no hydrogen 2.786 N/A ALA 96.A N HIS 92.A O no hydrogen 2.959 N/A GLN 97.A N ALA 93.A O no hydrogen 3.095 N/A LYS 98.A N ALA 94.A O no hydrogen 2.962 N/A VAL 99.A N HIS 95.A O no hydrogen 2.991 N/A GLY 100.A N ALA 96.A O no hydrogen 3.234 N/A GLY 100.A N GLN 97.A O no hydrogen 3.390 N/A ALA 101.A N ALA 96.A O no hydrogen 3.009 N/A LYS 102.A N VAL 77.A O no hydrogen 2.866 N/A GLY 103.A N VAL 77.A O no hydrogen 3.236 N/A LEU 104.A N PRO 135.A O no hydrogen 2.863 N/A MET 105.A N VAL 79.A O no hydrogen 2.803 N/A VAL 106.A N VAL 137.A O.A no hydrogen 2.735 N/A VAL 106.A N VAL 137.A O.B no hydrogen 2.733 N/A ILE 107.A N THR 81.A OG1 no hydrogen 3.271 N/A ARG 109.A N GLN 120.A OE1 no hydrogen 2.857 N/A ARG 109.A NE SER 112.A O no hydrogen 2.795 N/A ARG 109.A NH2 SER 112.A OG no hydrogen 2.916 N/A SER 112.A N VAL 110.A O no hydrogen 2.827 N/A ALA 116.A N ARG 113.A O no hydrogen 3.061 N/A GLN 120.A N ALA 116.A O no hydrogen 3.022 N/A GLN 120.A NE2 ARG 109.A O no hydrogen 2.993 N/A GLN 120.A NE2 GLY 114.A O no hydrogen 2.829 N/A LYS 121.A N ILE 117.A O no hydrogen 2.922 N/A ALA 122.A N ALA 118.A O no hydrogen 3.313 N/A TYR 123.A N ALA 119.A O no hydrogen 2.997 N/A PHE 124.A N GLN 120.A O no hydrogen 2.860 N/A LYS 125.A N LYS 121.A O no hydrogen 3.028 N/A LYS 125.A NZ HIS 160.A NE2 no hydrogen 3.019 N/A ALA 126.A N ALA 122.A O no hydrogen 2.988 N/A ILE 127.A N TYR 123.A O no hydrogen 3.059 N/A LEU 128.A N PHE 124.A O no hydrogen 2.922 N/A SER 129.A N LYS 125.A O no hydrogen 2.941 N/A SER 129.A OG LYS 125.A O no hydrogen 2.703 N/A ALA 130.A N ILE 127.A O no hydrogen 3.107 N/A ALA 131.A N LEU 128.A O no hydrogen 3.299 N/A ASP 133.A N GLN 97.A OE1 no hydrogen 2.863 N/A LEU 134.A N ALA 131.A O no hydrogen 3.089 N/A ALA 136.A N ASN 162.A O no hydrogen 2.862 N/A VAL 137.A N.A LEU 104.A O no hydrogen 2.899 N/A VAL 137.A N.B LEU 104.A O no hydrogen 2.914 N/A ILE 138.A N GLY 165.A O no hydrogen 3.052 N/A TYR 139.A N VAL 106.A O no hydrogen 2.921 N/A ASN 140.A ND2 GLU 167.A OE1 no hydrogen 2.752 N/A TYR 143.A N SER 141.A OG no hydrogen 3.035 N/A TYR 144.A N SER 141.A O no hydrogen 3.268 N/A GLY 145.A N PRO 142.A O no hydrogen 3.042 N/A THR 148.A N ASN 140.A OD1 no hydrogen 2.769 N/A ALA 150.A N TYR 176.A OH no hydrogen 2.995 N/A PHE 153.A N ARG 149.A O no hydrogen 2.966 N/A PHE 154.A N ALA 150.A O no hydrogen 2.832 N/A ASP 155.A N ASP 151.A O no hydrogen 2.953 N/A LEU 156.A N LEU 152.A O no hydrogen 2.918 N/A ARG 157.A N PHE 153.A O no hydrogen 2.948 N/A ARG 157.A NH1 LEU 163.A O no hydrogen 2.818 N/A ALA 158.A N PHE 154.A O no hydrogen 3.020 N/A GLU 159.A N LEU 156.A O no hydrogen 3.123 N/A HIS 160.A N ARG 157.A O no hydrogen 3.291 N/A ASN 162.A ND2 LEU 128.A O no hydrogen 3.263 N/A ASN 162.A ND2 ALA 131.A O no hydrogen 2.969 N/A ASN 162.A ND2 LEU 134.A O no hydrogen 3.230 N/A LEU 163.A N HIS 160.A O no hydrogen 2.941 N/A VAL 164.A N ALA 136.A O no hydrogen 2.906 N/A PHE 166.A N SER 189.A O no hydrogen 2.954 N/A PHE 168.A N ASN 140.A O no hydrogen 3.274 N/A GLY 169.A N GLU 167.A OE2 no hydrogen 2.938 N/A MET 174.A N GLY 170.A O no hydrogen 3.125 N/A ARG 175.A N PRO 171.A O no hydrogen 2.927 N/A ARG 175.A NE GLU 179.A OE2 no hydrogen 3.116 N/A ARG 175.A NH1 GLU 179.A OE2 no hydrogen 3.273 N/A TYR 176.A N ALA 172.A O no hydrogen 2.919 N/A ALA 177.A N ASP 173.A O no hydrogen 3.061 N/A ALA 178.A N MET 174.A O no hydrogen 2.944 N/A GLU 179.A N ARG 175.A O no hydrogen 2.954 N/A ASN 180.A N TYR 176.A O no hydrogen 2.938 N/A ASN 180.A ND2 TYR 176.A O no hydrogen 3.066 N/A ILE 181.A N ALA 177.A O no hydrogen 2.761 N/A THR 182.A N ALA 177.A O no hydrogen 2.936 N/A THR 182.A OG1 ALA 177.A O no hydrogen 3.360 N/A SER 183.A OG ALA 178.A O no hydrogen 2.631 N/A SER 189.A N VAL 164.A O no hydrogen 2.868 N/A MET 191.A N PHE 166.A O no hydrogen 2.934 N/A ILE 192.A N GLY 209.A O no hydrogen 2.948 N/A GLY 193.A N GLU 167.A O no hydrogen 2.877 N/A ASP 195.A N ASP 257.A OD2 no hydrogen 2.936 N/A THR 196.A OG1 GLU 258.A OE2 no hydrogen 2.626 N/A ALA 197.A N VAL 194.A O no hydrogen 3.232 N/A PHE 199.A N GLU 247.A OE2 no hydrogen 2.924 N/A HIS 200.A NE2 PRO 171.A O no hydrogen 2.983 N/A GLY 201.A N ALA 197.A O no hydrogen 2.854 N/A PHE 202.A N VAL 198.A O no hydrogen 3.000 N/A VAL 203.A N PHE 199.A O no hydrogen 2.877 N/A ASN 204.A N HIS 200.A O no hydrogen 2.910 N/A ASN 204.A ND2 HIS 200.A ND1 no hydrogen 2.999 N/A CYS 205.A N GLY 201.A O no hydrogen 3.273 N/A CYS 205.A SG HIS 200.A NE2 no hydrogen 3.428 N/A CYS 205.A SG HIS 200.A O no hydrogen 3.603 N/A ALA 207.A N GLY 201.A O no hydrogen 2.910 N/A THR 208.A N LEU 190.A O no hydrogen 2.932 N/A THR 208.A OG1 PHE 9.A O no hydrogen 2.965 N/A THR 208.A OG1 LEU 190.A O no hydrogen 3.389 N/A ALA 210.A N GLY 11.A O no hydrogen 2.899 N/A ILE 211.A N ILE 192.A O no hydrogen 2.906 N/A THR 212.A N ILE 13.A O no hydrogen 2.848 N/A THR 212.A OG1 ASP 195.A OD1 no hydrogen 3.475 N/A GLY 213.A N ASP 195.A OD1 no hydrogen 2.830 N/A ILE 214.A N ASP 195.A OD2 no hydrogen 2.745 N/A GLY 215.A N THR 212.A OG1 no hydrogen 2.818 N/A ASN 216.A N GLY 213.A O no hydrogen 3.013 N/A ASN 216.A ND2 ALA 15.A O no hydrogen 2.912 N/A ASN 216.A ND2 GLY 213.A O no hydrogen 2.887 N/A VAL 217.A N ILE 214.A O no hydrogen 2.921 N/A LEU 218.A N ILE 214.A O no hydrogen 2.936 N/A LYS 220.A NZ ASP 41.A O no hydrogen 2.915 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.728 N/A VAL 222.A N LEU 218.A O no hydrogen 2.949 N/A ILE 223.A N PRO 219.A O no hydrogen 2.901 N/A HIS 224.A N LYS 220.A O no hydrogen 2.907 N/A HIS 224.A ND1 TYR 307.A OH no hydrogen 2.708 N/A HIS 224.A NE2 VAL 317.A O no hydrogen 2.757 N/A LEU 225.A N GLU 221.A O no hydrogen 2.985 N/A CYS 226.A N VAL 222.A O no hydrogen 2.864 N/A CYS 226.A SG VAL 222.A O no hydrogen 3.400 N/A ASN 227.A N ILE 223.A O no hydrogen 2.772 N/A ASN 227.A ND2 CYS 320.A O no hydrogen 2.955 N/A ASN 227.A ND2 LYS 321.A O no hydrogen 3.693 N/A LEU 228.A N HIS 224.A O no hydrogen 2.910 N/A SER 229.A N LEU 225.A O no hydrogen 2.874 N/A SER 229.A OG LEU 225.A O no hydrogen 2.852 N/A GLN 230.A N CYS 226.A O no hydrogen 2.835 N/A ALA 231.A N ASN 227.A O no hydrogen 2.932 N/A ALA 232.A N LEU 228.A O no hydrogen 2.873 N/A ALA 233.A N SER 229.A O no hydrogen 2.913 N/A LEU 234.A N GLN 230.A O no hydrogen 3.241 N/A LEU 234.A N ALA 231.A O no hydrogen 3.030 N/A GLY 235.A N ALA 232.A O no hydrogen 2.860 N/A ASP 236.A N ALA 231.A O no hydrogen 3.269 N/A ALA 239.A N ASP 236.A OD2 no hydrogen 2.821 N/A GLN 241.A N VAL 237.A O no hydrogen 3.310 N/A GLN 241.A NE2 GLU 245.A OE2 no hydrogen 2.940 N/A ARG 242.A N ASP 238.A O no hydrogen 2.939 N/A ARG 242.A NH1 GLU 245.A OE1 no hydrogen 2.723 N/A ALA 243.A N ALA 239.A O no hydrogen 2.815 N/A GLN 244.A NE2 ARG 240.A O no hydrogen 3.056 N/A GLU 245.A N GLN 241.A O no hydrogen 3.173 N/A LEU 246.A N ARG 242.A O no hydrogen 2.983 N/A GLU 247.A N ALA 243.A O no hydrogen 2.871 N/A GLN 248.A N GLN 244.A O no hydrogen 2.914 N/A ALA 249.A N GLU 245.A O no hydrogen 3.020 N/A LEU 250.A N LEU 246.A O no hydrogen 2.961 N/A ALA 251.A N GLN 248.A O no hydrogen 3.166 N/A SER 254.A N LEU 250.A O no hydrogen 2.878 N/A SER 254.A OG LEU 250.A O no hydrogen 2.956 N/A SER 255.A N ALA 251.A O no hydrogen 2.883 N/A SER 255.A N VAL 252.A O no hydrogen 3.049 N/A SER 255.A OG VAL 252.A O no hydrogen 2.647 N/A ASP 257.A N SER 254.A O no hydrogen 2.995 N/A GLU 258.A N SER 255.A O no hydrogen 2.994 N/A GLY 259.A N PHE 256.A O no hydrogen 3.385 N/A TYR 265.A N ASP 261.A O no hydrogen 2.910 N/A PHE 266.A N LEU 262.A O no hydrogen 2.901 N/A LYS 267.A N VAL 263.A O no hydrogen 2.872 N/A LYS 267.A NZ THR 18.A O no hydrogen 2.775 N/A LYS 267.A NZ LEU 280.A O no hydrogen 3.356 N/A HIS 268.A N LEU 264.A O no hydrogen 3.069 N/A HIS 268.A NE2 GLU 297.A OE2 no hydrogen 2.770 N/A MET 269.A N TYR 265.A O no hydrogen 2.925 N/A MET 270.A N PHE 266.A O no hydrogen 2.985 N/A VAL 271.A N LYS 267.A O no hydrogen 3.036 N/A LEU 272.A N HIS 268.A O no hydrogen 2.854 N/A LYS 273.A N MET 269.A O no hydrogen 3.015 N/A LYS 273.A NZ.A VAL 217.A O no hydrogen 2.733 N/A LYS 273.A NZ.B ASP 275.A OD2 no hydrogen 3.237 N/A GLY 274.A N VAL 271.A O no hydrogen 2.893 N/A ASP 275.A N MET 270.A O no hydrogen 2.971 N/A GLU 277.A N GLU 277.A OE1 no hydrogen 2.792 N/A TYR 278.A N ASP 275.A O no hydrogen 3.126 N/A THR 279.A N LYS 276.A O no hydrogen 3.020 N/A THR 279.A OG1 LYS 276.A O no hydrogen 2.674 N/A ASN 283.A ND2.A ASP 286.A OD2 no hydrogen 3.259 N/A THR 285.A N ASN 283.A OD1.B no hydrogen 2.786 N/A THR 285.A OG1 ASN 283.A OD1.B no hydrogen 2.821 N/A ASP 286.A N ASN 283.A O no hydrogen 3.221 N/A SER 289.A N GLN 292.A OE1 no hydrogen 2.898 N/A SER 289.A OG GLN 292.A OE1 no hydrogen 3.433 N/A GLN 292.A N SER 289.A OG no hydrogen 3.106 N/A GLN 292.A NE2 ASP 261.A OD2 no hydrogen 3.074 N/A ARG 293.A N SER 289.A O no hydrogen 2.906 N/A GLY 294.A N GLU 290.A O no hydrogen 2.952 N/A TYR 295.A N SER 291.A O no hydrogen 2.816 N/A VAL 296.A N GLN 292.A O no hydrogen 2.983 N/A GLU 297.A N ARG 293.A O no hydrogen 2.946 N/A THR 298.A N GLY 294.A O no hydrogen 2.966 N/A THR 298.A OG1 GLY 294.A O no hydrogen 2.959 N/A GLN 299.A N TYR 295.A O no hydrogen 2.932 N/A PHE 300.A N VAL 296.A O no hydrogen 2.768 N/A ARG 301.A N GLU 297.A O no hydrogen 3.046 N/A LEU 302.A N THR 298.A O no hydrogen 2.987 N/A PHE 303.A N GLN 299.A O no hydrogen 3.021 N/A ASN 304.A N PHE 300.A O no hydrogen 2.996 N/A THR 305.A N ARG 301.A O no hydrogen 2.934 N/A THR 305.A OG1 ARG 301.A O no hydrogen 2.961 N/A TRP 306.A N LEU 302.A O no hydrogen 2.976 N/A TYR 307.A N PHE 303.A O no hydrogen 2.777 N/A TYR 307.A OH HIS 224.A ND1 no hydrogen 2.708 N/A ALA 308.A N ASN 304.A O no hydrogen 2.991 N/A GLU 309.A N TRP 306.A O no hydrogen 3.220 N/A TRP 310.A N TRP 306.A O no hydrogen 2.895 N/A TRP 310.A NE1 GLU 245.A OE1 no hydrogen 2.960 N/A SER 311.A N TYR 307.A O no hydrogen 2.897 N/A SER 311.A OG TYR 307.A O no hydrogen 2.739 N/A LYS 312.A N GLU 309.A O no hydrogen 3.082 N/A LYS 312.A NZ GLU 309.A OE1.A no hydrogen 2.881 N/A LEU 313.A N TRP 310.A O no hydrogen 3.074 N/A ALA 316.A N ASP 238.A OD2.A no hydrogen 2.791 N/A GLN 318.A N GLY 315.A O no hydrogen 3.008 N/A GLN 318.A NE2 SER 311.A O no hydrogen 2.739 N/A GLN 318.A NE2 LEU 313.A O no hydrogen 2.732 N/A ARG 319.A N GLY 315.A O no hydrogen 3.098 N/A CYS 320.A N ALA 316.A O no hydrogen 2.965 N/A LYS 321.A N GLN 318.A O no hydrogen 3.253 N/A LYS 321.A NZ SER 311.A O no hydrogen 3.061 N/A LYS 321.A NZ GLN 318.A OE1 no hydrogen 2.837 N/A