Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gfe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 ILE 346.A O no hydrogen 3.209 N/A ARG 5.A NH2 PRO 92.A O no hydrogen 2.839 N/A TYR 9.A N VAL 20.A O no hydrogen 2.898 N/A TYR 9.A OH TYR 24.A O no hydrogen 2.793 N/A GLN 11.A N TRP 18.A O no hydrogen 2.875 N/A LEU 13.A N THR 16.A O no hydrogen 3.004 N/A THR 16.A N LEU 13.A O no hydrogen 3.257 N/A THR 16.A OG1 LEU 13.A O no hydrogen 3.293 N/A TRP 18.A N GLN 11.A O no hydrogen 2.732 N/A GLU 19.A N TYR 103.A OH no hydrogen 2.963 N/A VAL 20.A N TYR 9.A O no hydrogen 3.116 N/A GLU 22.A N THR 7.A O no hydrogen 3.000 N/A ARG 23.A NE ASP 43.A OD1 no hydrogen 2.820 N/A ARG 23.A NH2 ASP 43.A OD1 no hydrogen 3.412 N/A ARG 23.A NH2 ASP 43.A OD2 no hydrogen 2.774 N/A TYR 24.A N PRO 21.A O no hydrogen 3.190 N/A TYR 24.A OH ASP 88.A OD2 no hydrogen 2.630 N/A GLN 25.A N PHE 42.A O no hydrogen 2.952 N/A GLN 25.A NE2 GLU 22.A O no hydrogen 2.782 N/A SER 28.A N ALA 40.A O no hydrogen 2.790 N/A VAL 30.A N VAL 38.A O no hydrogen 3.004 N/A GLY 31.A N VAL 38.A O no hydrogen 3.350 N/A VAL 38.A N GLY 31.A O no hydrogen 2.813 N/A CYS 39.A N VAL 52.A O no hydrogen 2.845 N/A ALA 40.A N SER 28.A O no hydrogen 2.662 N/A ALA 41.A N VAL 50.A O no hydrogen 2.796 N/A PHE 42.A N GLN 25.A O no hydrogen 2.890 N/A ASP 43.A N LEU 48.A O no hydrogen 2.783 N/A THR 44.A N ARG 23.A O no hydrogen 2.862 N/A THR 44.A OG1 ARG 23.A O no hydrogen 2.862 N/A LYS 45.A N ASP 43.A OD1 no hydrogen 3.199 N/A THR 46.A OG1 ASP 43.A OD2 no hydrogen 2.636 N/A GLY 47.A N ASP 43.A O no hydrogen 2.776 N/A VAL 50.A N ALA 41.A O no hydrogen 2.732 N/A ALA 51.A N THR 106.A O no hydrogen 2.924 N/A VAL 52.A N CYS 39.A O no hydrogen 2.707 N/A LYS 53.A N LEU 104.A O no hydrogen 2.805 N/A LYS 53.A NZ TYR 35.A O no hydrogen 3.252 N/A LYS 53.A NZ GLU 71.A OE2 no hydrogen 2.684 N/A LYS 54.A N SER 37.A O no hydrogen 2.849 N/A LYS 54.A NZ ILE 17.A O no hydrogen 2.713 N/A LEU 55.A N VAL 102.A O no hydrogen 2.781 N/A HIS 64.A N SER 61.A OG no hydrogen 3.125 N/A ALA 65.A N SER 61.A O no hydrogen 3.029 N/A LYS 66.A N ILE 62.A O no hydrogen 2.930 N/A LYS 66.A NZ GLU 328.A O no hydrogen 2.603 N/A ARG 67.A N ILE 63.A O no hydrogen 3.063 N/A THR 68.A N HIS 64.A O no hydrogen 2.926 N/A THR 68.A OG1 PRO 58.A O no hydrogen 3.158 N/A THR 68.A OG1 HIS 64.A O no hydrogen 2.902 N/A TYR 69.A N ALA 65.A O no hydrogen 3.154 N/A ARG 70.A N LYS 66.A O no hydrogen 2.829 N/A ARG 70.A NE GLU 328.A OE1 no hydrogen 3.220 N/A ARG 70.A NE GLU 328.A OE2 no hydrogen 2.876 N/A ARG 70.A NH2 GLU 328.A OE1 no hydrogen 2.848 N/A GLU 71.A N ARG 67.A O no hydrogen 2.892 N/A LEU 72.A N THR 68.A O no hydrogen 3.144 N/A ARG 73.A N TYR 69.A O no hydrogen 2.881 N/A ARG 73.A NH1 TYR 69.A OH no hydrogen 3.084 N/A ARG 73.A NH2 ASP 324.A O no hydrogen 2.792 N/A LEU 74.A N ARG 70.A O no hydrogen 2.905 N/A LEU 75.A N GLU 71.A O no hydrogen 2.933 N/A LYS 76.A N LEU 72.A O no hydrogen 2.892 N/A LYS 76.A NZ GLU 344.A O no hydrogen 2.992 N/A LYS 76.A NZ GLU 344.A OE1 no hydrogen 2.678 N/A HIS 77.A N ARG 73.A O no hydrogen 3.181 N/A HIS 77.A N LEU 74.A O no hydrogen 3.296 N/A HIS 77.A NE2 ASP 321.A O no hydrogen 2.793 N/A LYS 79.A N TYR 140.A OH no hydrogen 2.820 N/A ASN 82.A N HIS 80.A ND1 no hydrogen 2.995 N/A ASN 82.A ND2 GLN 133.A OE1 no hydrogen 3.399 N/A ASN 82.A ND2 LEU 164.A O no hydrogen 2.962 N/A VAL 83.A N HIS 80.A O no hydrogen 3.200 N/A ILE 84.A N ILE 166.A O no hydrogen 2.980 N/A LEU 87.A N VAL 105.A O no hydrogen 2.832 N/A ASP 88.A N VAL 105.A O no hydrogen 3.425 N/A PHE 90.A N TYR 103.A O no hydrogen 3.162 N/A THR 91.A OG1 ASP 101.A O no hydrogen 2.980 N/A ALA 93.A N THR 91.A OG1 no hydrogen 3.262 N/A ARG 94.A N GLU 98.A OE1 no hydrogen 2.824 N/A SER 95.A OG GLU 97.A OE1 no hydrogen 3.411 N/A PHE 99.A N LEU 96.A O no hydrogen 3.298 N/A VAL 102.A N LEU 55.A O no hydrogen 3.190 N/A TYR 103.A N PHE 90.A O no hydrogen 3.084 N/A LEU 104.A N LYS 53.A O no hydrogen 2.895 N/A VAL 105.A N ASP 88.A O no hydrogen 2.828 N/A THR 106.A N ALA 51.A O no hydrogen 2.942 N/A THR 106.A OG1 HIS 107.A O no hydrogen 3.059 N/A LEU 108.A N ARG 49.A O no hydrogen 3.089 N/A GLY 110.A N VAL 158.A O no hydrogen 3.100 N/A GLY 110.A N ASN 159.A OD1 no hydrogen 2.916 N/A ALA 111.A N VAL 158.A O no hydrogen 2.871 N/A LEU 113.A N PRO 153.A O no hydrogen 3.112 N/A LEU 113.A N LEU 156.A O no hydrogen 2.925 N/A ASN 115.A N ASP 112.A OD1 no hydrogen 2.994 N/A ILE 116.A N ASP 112.A O no hydrogen 3.158 N/A VAL 117.A N LEU 113.A O no hydrogen 2.965 N/A CYS 119.A SG ASN 115.A O no hydrogen 3.307 N/A GLN 120.A N ILE 116.A O no hydrogen 3.088 N/A THR 123.A N HIS 126.A ND1 no hydrogen 3.495 N/A THR 123.A OG1 HIS 126.A ND1 no hydrogen 2.878 N/A HIS 126.A N THR 123.A OG1 no hydrogen 3.342 N/A HIS 126.A ND1 THR 123.A OG1 no hydrogen 2.878 N/A VAL 127.A N THR 123.A O no hydrogen 3.055 N/A GLN 128.A N ASP 124.A O no hydrogen 2.822 N/A GLN 128.A NE2 ASP 124.A OD2 no hydrogen 2.984 N/A PHE 129.A N ASP 125.A O no hydrogen 3.058 N/A LEU 130.A N HIS 126.A O no hydrogen 2.936 N/A ILE 131.A N VAL 127.A O no hydrogen 2.958 N/A TYR 132.A N GLN 128.A O no hydrogen 2.994 N/A TYR 132.A OH GLU 317.A OE2 no hydrogen 2.648 N/A GLN 133.A N PHE 129.A O no hydrogen 3.232 N/A GLN 133.A NE2 PHE 129.A O no hydrogen 3.131 N/A GLN 133.A NE2 CYS 162.A O no hydrogen 2.843 N/A ILE 134.A N LEU 130.A O no hydrogen 3.151 N/A LEU 135.A N ILE 131.A O no hydrogen 2.954 N/A ARG 136.A N TYR 132.A O no hydrogen 2.832 N/A ARG 136.A NE ASP 316.A O no hydrogen 2.802 N/A ARG 136.A NH1 GLU 81.A OE2 no hydrogen 3.554 N/A ARG 136.A NH1 ASN 82.A OD1 no hydrogen 2.789 N/A ARG 136.A NH2 ASP 316.A O no hydrogen 2.876 N/A ARG 136.A NH2 ASP 316.A OD1 no hydrogen 3.473 N/A GLY 137.A N GLN 133.A O no hydrogen 2.957 N/A LEU 138.A N ILE 134.A O no hydrogen 2.787 N/A LYS 139.A N LEU 135.A O no hydrogen 2.874 N/A LYS 139.A NZ GLU 317.A O no hydrogen 2.851 N/A TYR 140.A N ARG 136.A O no hydrogen 3.392 N/A ILE 141.A N GLY 137.A O no hydrogen 2.953 N/A HIS 142.A N LEU 138.A O no hydrogen 2.791 N/A HIS 142.A NE2 ASP 205.A OD2 no hydrogen 2.845 N/A SER 143.A N LYS 139.A O no hydrogen 3.005 N/A SER 143.A OG LYS 139.A O no hydrogen 3.418 N/A SER 143.A OG TYR 140.A O no hydrogen 2.630 N/A ALA 144.A N ILE 141.A O no hydrogen 3.256 N/A ASP 145.A N HIS 142.A O no hydrogen 2.904 N/A ILE 146.A N ILE 141.A O no hydrogen 3.225 N/A HIS 148.A N ASP 205.A OD2 no hydrogen 2.683 N/A HIS 148.A NE2 LEU 167.A O no hydrogen 2.802 N/A ARG 149.A N ASP 205.A OD1 no hydrogen 2.873 N/A ARG 149.A NH1 ALA 172.A O no hydrogen 3.027 N/A ARG 149.A NH2 ALA 172.A O no hydrogen 2.945 N/A ASP 150.A N HIS 148.A ND1 no hydrogen 3.151 N/A LYS 152.A N ASN 155.A OD1 no hydrogen 3.116 N/A ASN 155.A N LYS 152.A O no hydrogen 3.067 N/A ASN 155.A ND2 ASP 150.A O no hydrogen 2.808 N/A LEU 156.A N PRO 153.A O no hydrogen 3.410 N/A ALA 157.A N LYS 165.A O no hydrogen 2.985 N/A VAL 158.A N ALA 111.A O no hydrogen 2.583 N/A ASN 159.A N GLU 163.A O no hydrogen 3.112 N/A CYS 162.A N ASN 159.A O no hydrogen 3.000 N/A LEU 164.A N GLN 133.A OE1 no hydrogen 2.850 N/A LYS 165.A N ALA 157.A O no hydrogen 2.917 N/A LYS 165.A NZ GLU 81.A O no hydrogen 2.790 N/A ILE 166.A N ASN 82.A O no hydrogen 2.901 N/A LEU 167.A N ASN 155.A O no hydrogen 2.890 N/A GLY 170.A N HIS 148.A O no hydrogen 3.178 N/A ARG 173.A NH2 ALA 172.A O no hydrogen 2.757 N/A THR 175.A N GLU 178.A OE2 no hydrogen 3.189 N/A MET 179.A N ASP 176.A O no hydrogen 3.143 N/A THR 180.A N ASP 177.A O no hydrogen 3.250 N/A THR 180.A OG1 ASP 176.A O no hydrogen 2.673 N/A THR 185.A OG1 GLU 178.A O no hydrogen 2.616 N/A ARG 186.A N VAL 183.A O no hydrogen 3.203 N/A ARG 186.A NE GLN 231.A OE1 no hydrogen 2.792 N/A ARG 186.A NH1 MET 179.A O no hydrogen 2.803 N/A ARG 186.A NH1 GLY 181.A O no hydrogen 2.789 N/A ARG 186.A NH2 GLY 181.A O no hydrogen 3.142 N/A ARG 186.A NH2 GLY 225.A O no hydrogen 3.008 N/A ARG 186.A NH2 GLN 231.A OE1 no hydrogen 3.088 N/A TRP 187.A NE1 GLY 225.A O no hydrogen 3.069 N/A TYR 188.A OH GLU 215.A OE1 no hydrogen 2.519 N/A TYR 188.A OH GLU 215.A OE2 no hydrogen 3.264 N/A ARG 189.A N ARG 186.A O no hydrogen 3.161 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.883 N/A ILE 193.A N ALA 190.A O no hydrogen 3.109 N/A MET 194.A N ALA 190.A O no hydrogen 3.116 N/A LEU 195.A N PRO 191.A O no hydrogen 3.112 N/A TRP 197.A N GLU 192.A O no hydrogen 2.779 N/A THR 203.A OG1 ASN 201.A OD1 no hydrogen 2.436 N/A VAL 204.A N ASN 201.A O no hydrogen 3.270 N/A ASP 205.A N GLN 202.A O no hydrogen 3.020 N/A TRP 207.A N THR 203.A O no hydrogen 3.446 N/A SER 208.A N VAL 204.A O no hydrogen 3.487 N/A SER 208.A OG TYR 188.A O no hydrogen 2.770 N/A SER 208.A OG VAL 204.A O no hydrogen 3.348 N/A VAL 209.A N ASP 205.A O no hydrogen 3.052 N/A GLY 210.A N ILE 206.A O no hydrogen 3.055 N/A CYS 211.A N TRP 207.A O no hydrogen 3.113 N/A CYS 211.A SG TRP 207.A O no hydrogen 3.416 N/A ILE 212.A N SER 208.A O no hydrogen 2.961 N/A MET 213.A N VAL 209.A O no hydrogen 2.721 N/A ALA 214.A N GLY 210.A O no hydrogen 2.979 N/A GLU 215.A N CYS 211.A O no hydrogen 3.130 N/A LEU 216.A N ILE 212.A O no hydrogen 2.910 N/A LEU 217.A N MET 213.A O no hydrogen 2.944 N/A THR 218.A N ALA 214.A O no hydrogen 2.954 N/A THR 218.A OG1 ALA 214.A O no hydrogen 2.827 N/A THR 218.A OG1 ARG 220.A O no hydrogen 3.206 N/A GLY 219.A N GLU 215.A O no hydrogen 2.730 N/A ARG 220.A N THR 218.A OG1 no hydrogen 3.131 N/A GLY 225.A N PHE 223.A O no hydrogen 2.865 N/A THR 226.A N ASP 230.A OD2 no hydrogen 2.931 N/A THR 226.A OG1 ASP 227.A OD2 no hydrogen 3.301 N/A ASP 230.A N ASP 227.A OD1 no hydrogen 2.983 N/A GLN 231.A N ASP 227.A O no hydrogen 2.909 N/A GLN 231.A NE2 ARG 186.A O no hydrogen 2.896 N/A LEU 232.A N HIS 228.A O no hydrogen 3.040 N/A LYS 233.A N ILE 229.A O no hydrogen 2.995 N/A LEU 234.A N ASP 230.A O no hydrogen 3.046 N/A ILE 235.A N GLN 231.A O no hydrogen 2.907 N/A LEU 236.A N LEU 232.A O no hydrogen 2.737 N/A ARG 237.A N LYS 233.A O no hydrogen 3.004 N/A VAL 239.A N ILE 235.A O no hydrogen 2.991 N/A GLY 240.A N LEU 236.A O no hydrogen 2.798 N/A THR 241.A N MET 265.A O no hydrogen 3.091 N/A THR 241.A OG1 MET 265.A O no hydrogen 3.314 N/A LEU 247.A N GLY 243.A O no hydrogen 3.215 N/A LYS 248.A N ALA 244.A O no hydrogen 3.479 N/A LYS 249.A N LEU 246.A O no hydrogen 3.050 N/A LYS 249.A NZ ASP 292.A OD1 no hydrogen 3.211 N/A LYS 249.A NZ ASP 292.A OD2 no hydrogen 2.849 N/A LYS 249.A NZ ASP 294.A OD1 no hydrogen 2.928 N/A ILE 250.A N LEU 247.A O no hydrogen 3.217 N/A SER 252.A N TRP 197.A O no hydrogen 3.246 N/A ARG 256.A N SER 252.A O no hydrogen 2.958 N/A ARG 256.A NH2 GLU 253.A OE1 no hydrogen 2.759 N/A ASN 257.A N GLU 253.A O no hydrogen 2.938 N/A TYR 258.A N SER 254.A O no hydrogen 3.013 N/A ILE 259.A N ALA 255.A O no hydrogen 3.054 N/A GLN 260.A N ARG 256.A O no hydrogen 3.206 N/A SER 261.A N TYR 258.A O no hydrogen 3.110 N/A SER 261.A OG TYR 258.A O no hydrogen 2.588 N/A LEU 262.A N ILE 259.A O no hydrogen 3.086 N/A MET 265.A N THR 241.A OG1 no hydrogen 2.927 N/A LYS 267.A NZ MET 268.A O no hydrogen 2.816 N/A LYS 267.A NZ GLU 286.A OE2 no hydrogen 2.802 N/A MET 268.A N LEU 238.A O no hydrogen 2.849 N/A ALA 271.A N ASN 269.A OD1 no hydrogen 3.024 N/A ASN 272.A N ASN 269.A O no hydrogen 3.103 N/A VAL 273.A N PHE 270.A O no hydrogen 3.206 N/A PHE 274.A N PHE 270.A O no hydrogen 2.868 N/A ALA 277.A N PHE 274.A O no hydrogen 3.342 N/A ASN 278.A ND2 ASP 124.A OD2 no hydrogen 3.013 N/A LEU 280.A N ASN 278.A OD1 no hydrogen 2.859 N/A VAL 282.A N ASN 278.A O no hydrogen 3.084 N/A ASP 283.A N PRO 279.A O no hydrogen 3.039 N/A LEU 284.A N LEU 280.A O no hydrogen 3.148 N/A LEU 285.A N ALA 281.A O no hydrogen 3.009 N/A GLU 286.A N VAL 282.A O no hydrogen 3.007 N/A LYS 287.A N ASP 283.A O no hydrogen 3.278 N/A LYS 287.A N LEU 284.A O no hydrogen 3.014 N/A LYS 287.A NZ ASP 283.A OD2 no hydrogen 2.984 N/A MET 288.A N LEU 284.A O no hydrogen 2.931 N/A MET 288.A N LEU 285.A O no hydrogen 3.167 N/A LEU 289.A N LEU 285.A O no hydrogen 2.860 N/A ASP 294.A N ASP 292.A OD1 no hydrogen 3.225 N/A LYS 295.A N ASP 292.A O no hydrogen 3.053 N/A ARG 296.A N SER 293.A O no hydrogen 3.429 N/A ARG 296.A NE VAL 290.A O no hydrogen 2.727 N/A ARG 296.A NH1 GLU 192.A OE2 no hydrogen 2.802 N/A ARG 296.A NH1 THR 203.A O no hydrogen 2.997 N/A ARG 296.A NH2 GLU 192.A OE1 no hydrogen 2.844 N/A ARG 296.A NH2 GLU 192.A OE2 no hydrogen 3.350 N/A ARG 296.A NH2 VAL 290.A O no hydrogen 3.340 N/A ARG 296.A NH2 LEU 291.A O no hydrogen 3.214 N/A ILE 297.A N LYS 287.A O no hydrogen 3.020 N/A GLN 301.A N THR 298.A OG1 no hydrogen 3.131 N/A ALA 302.A N THR 298.A O no hydrogen 2.895 N/A LEU 303.A N ALA 299.A O no hydrogen 3.063 N/A ALA 304.A N GLN 301.A O no hydrogen 3.266 N/A HIS 305.A N ALA 302.A O no hydrogen 3.020 N/A HIS 305.A NE2 ASP 283.A OD2 no hydrogen 2.745 N/A TYR 307.A N HIS 305.A ND1 no hydrogen 3.087 N/A TYR 307.A OH ASP 124.A OD1 no hydrogen 2.849 N/A PHE 308.A N HIS 305.A O no hydrogen 3.014 N/A ALA 309.A N ALA 306.A O no hydrogen 3.197 N/A GLN 310.A NE2 GLN 128.A OE1 no hydrogen 2.687 N/A TYR 311.A N PHE 308.A O no hydrogen 3.013 N/A TYR 311.A OH ASP 125.A OD1 no hydrogen 2.634 N/A HIS 312.A N PHE 308.A O no hydrogen 2.778 N/A HIS 312.A ND1 GLU 317.A OE2 no hydrogen 2.783 N/A ASP 313.A N GLU 317.A OE2 no hydrogen 3.163 N/A ASP 315.A N ASP 313.A OD1 no hydrogen 3.136 N/A ASP 316.A N ASP 313.A O no hydrogen 2.872 N/A ALA 320.A N SER 143.A OG no hydrogen 2.814 N/A GLN 325.A NE2 ASP 145.A O no hydrogen 2.985 N/A SER 326.A N ASP 324.A OD1 no hydrogen 3.101 N/A SER 326.A OG ASP 324.A OD1 no hydrogen 2.715 N/A GLU 328.A N GLN 325.A O no hydrogen 3.085 N/A SER 329.A OG SER 326.A O no hydrogen 3.182 N/A ARG 330.A N PHE 327.A O no hydrogen 3.093 N/A LEU 333.A N GLU 336.A OE1 no hydrogen 2.840 N/A GLU 336.A N LEU 333.A O no hydrogen 3.071 N/A TRP 337.A N LEU 333.A O no hydrogen 3.059 N/A LYS 338.A N ILE 334.A O no hydrogen 2.837 N/A SER 339.A N ASP 335.A O no hydrogen 3.056 N/A LEU 340.A N GLU 336.A O no hydrogen 3.130 N/A THR 341.A N TRP 337.A O no hydrogen 2.954 N/A THR 341.A OG1 TRP 337.A O no hydrogen 2.855 N/A TYR 342.A N LYS 338.A O no hydrogen 2.880 N/A ASP 343.A N SER 339.A O no hydrogen 2.959 N/A GLU 344.A N LEU 340.A O no hydrogen 3.128 N/A VAL 345.A N THR 341.A O no hydrogen 2.948 N/A ILE 346.A N TYR 342.A O no hydrogen 3.131 N/A SER 347.A N ASP 343.A O no hydrogen 2.985 N/A SER 347.A OG ASP 343.A O no hydrogen 3.131 N/A SER 347.A OG GLU 344.A O no hydrogen 3.523 N/A