Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8sih_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 121.A OE2 no hydrogen 3.195 N/A PHE 5.A N ALA 1.A O no hydrogen 3.420 N/A GLN 6.A N VAL 2.A O no hydrogen 3.380 N/A PHE 7.A N GLN 3.A O no hydrogen 3.239 N/A TYR 8.A N TYR 4.A O no hydrogen 3.351 N/A TYR 8.A OH GLU 121.A OE1 no hydrogen 3.225 N/A TYR 8.A OH GLU 121.A OE2 no hydrogen 2.740 N/A GLY 9.A N GLN 6.A O no hydrogen 2.822 N/A GLN 14.A N TYR 10.A O no hydrogen 3.162 N/A GLN 15.A N LEU 11.A O no hydrogen 2.806 N/A ASN 16.A N SER 12.A O no hydrogen 3.036 N/A MET 17.A N GLN 13.A O no hydrogen 3.032 N/A MET 18.A N GLN 14.A O no hydrogen 2.921 N/A GLN 19.A N GLN 15.A O no hydrogen 2.962 N/A ASP 20.A N MET 17.A O no hydrogen 3.019 N/A ARG 23.A N ASP 20.A OD1 no hydrogen 3.196 N/A ARG 23.A NE GLU 112.A OE1 no hydrogen 2.431 N/A ARG 23.A NH1 GLU 112.A OE1 no hydrogen 2.874 N/A THR 24.A N ASP 20.A O no hydrogen 3.012 N/A THR 24.A OG1 MET 18.A O no hydrogen 3.030 N/A THR 24.A OG1 ASP 20.A O no hydrogen 3.246 N/A GLY 25.A N TYR 21.A O no hydrogen 2.957 N/A THR 26.A N VAL 22.A O no hydrogen 2.946 N/A THR 26.A OG1 VAL 22.A O no hydrogen 2.497 N/A TYR 27.A N ARG 23.A O no hydrogen 3.308 N/A TYR 27.A OH SER 111.A O no hydrogen 2.623 N/A GLN 28.A N THR 24.A O no hydrogen 3.178 N/A GLN 28.A NE2 GLN 59.A OE1 no hydrogen 3.117 N/A ARG 29.A N GLY 25.A O no hydrogen 3.028 N/A ALA 30.A N THR 26.A O no hydrogen 2.891 N/A ILE 31.A N TYR 27.A O no hydrogen 3.088 N/A LEU 32.A N GLN 28.A O no hydrogen 2.966 N/A GLN 33.A N ARG 29.A O no hydrogen 2.902 N/A ASN 34.A ND2 ALA 30.A O no hydrogen 2.917 N/A ASN 34.A ND2 MET 255.A O no hydrogen 2.888 N/A ASP 37.A N ASN 34.A O no hydrogen 3.063 N/A PHE 38.A N HIS 35.A O no hydrogen 2.816 N/A LYS 39.A N HIS 35.A O no hydrogen 2.848 N/A ASP 40.A N GLY 61.A O no hydrogen 2.981 N/A LYS 41.A N PHE 38.A O no hydrogen 2.886 N/A ILE 42.A N ASP 107.A OD2 no hydrogen 2.885 N/A VAL 43.A N LYS 64.A O no hydrogen 2.968 N/A LEU 44.A N ILE 108.A O no hydrogen 2.986 N/A ASP 45.A N TYR 66.A O no hydrogen 2.617 N/A VAL 46.A N ILE 110.A O no hydrogen 3.126 N/A CYS 48.A N VAL 68.A O no hydrogen 3.046 N/A CYS 48.A SG GLY 49.A O no hydrogen 3.499 N/A GLY 49.A N GLU 69.A OE1 no hydrogen 2.886 N/A SER 50.A N GLN 14.A OE1 no hydrogen 3.442 N/A SER 50.A OG GLN 14.A OE1 no hydrogen 2.847 N/A GLY 51.A N CYS 48.A O no hydrogen 3.027 N/A SER 54.A OG ASP 45.A OD2 no hydrogen 2.730 N/A PHE 55.A N GLY 51.A O no hydrogen 3.097 N/A PHE 56.A N ILE 52.A O no hydrogen 2.912 N/A ALA 57.A N LEU 53.A O no hydrogen 2.869 N/A ALA 58.A N SER 54.A O no hydrogen 2.894 N/A GLN 59.A N PHE 55.A O no hydrogen 2.898 N/A ALA 60.A N PHE 56.A O no hydrogen 3.131 N/A ALA 60.A N ALA 57.A O no hydrogen 2.989 N/A GLY 61.A N ALA 58.A O no hydrogen 2.965 N/A ALA 62.A N ALA 57.A O no hydrogen 3.299 N/A ARG 63.A N LYS 41.A O no hydrogen 2.771 N/A LYS 64.A N LYS 41.A O no hydrogen 3.426 N/A ILE 65.A N ARG 89.A O no hydrogen 2.825 N/A TYR 66.A N VAL 43.A O no hydrogen 2.776 N/A TYR 66.A OH GLU 104.A OE2 no hydrogen 2.925 N/A ALA 67.A N VAL 91.A O no hydrogen 2.832 N/A VAL 68.A N ASP 45.A O no hydrogen 2.832 N/A GLU 69.A N ILE 93.A O no hydrogen 3.305 N/A SER 71.A N GLU 69.A OE2 no hydrogen 2.884 N/A SER 71.A OG GLU 69.A OE2 no hydrogen 2.768 N/A MET 73.A N SER 71.A OG no hydrogen 3.101 N/A ALA 74.A N SER 71.A O no hydrogen 3.071 N/A GLN 75.A N THR 72.A O no hydrogen 3.241 N/A HIS 76.A N MET 73.A O no hydrogen 3.105 N/A ALA 77.A N MET 73.A O no hydrogen 2.992 N/A GLU 78.A N ALA 74.A O no hydrogen 3.040 N/A VAL 79.A N GLN 75.A O no hydrogen 3.307 N/A LEU 80.A N HIS 76.A O no hydrogen 3.248 N/A VAL 81.A N ALA 77.A O no hydrogen 2.925 N/A LYS 82.A N GLU 78.A O no hydrogen 3.062 N/A LYS 82.A NZ GLU 78.A OE1 no hydrogen 2.683 N/A SER 83.A N VAL 79.A O no hydrogen 3.046 N/A SER 83.A OG VAL 79.A O no hydrogen 3.462 N/A SER 83.A OG LEU 80.A O no hydrogen 3.318 N/A ASN 84.A N LEU 80.A O no hydrogen 2.952 N/A ASN 84.A ND2 LEU 80.A O no hydrogen 2.645 N/A ASN 85.A N LYS 82.A O no hydrogen 3.147 N/A LEU 86.A N VAL 81.A O no hydrogen 3.197 N/A ARG 89.A N LEU 86.A O no hydrogen 3.061 N/A ARG 89.A NE ALA 62.A O no hydrogen 3.111 N/A ARG 89.A NH2 ALA 58.A O no hydrogen 2.950 N/A ARG 89.A NH2 ALA 62.A O no hydrogen 2.792 N/A ILE 90.A N LEU 86.A O no hydrogen 2.794 N/A VAL 91.A N ILE 65.A O no hydrogen 2.879 N/A ILE 93.A N ALA 67.A O no hydrogen 2.773 N/A GLY 95.A N GLU 69.A O no hydrogen 3.037 N/A GLU 98.A N GLU 98.A OE1 no hydrogen 2.788 N/A GLU 99.A N LYS 96.A O no hydrogen 2.978 N/A GLN 105.A NE2 LYS 132.A O no hydrogen 2.885 N/A VAL 106.A N TYR 133.A O no hydrogen 2.673 N/A ASP 107.A N ILE 42.A O no hydrogen 2.904 N/A ILE 109.A N ASN 139.A O no hydrogen 3.249 N/A ILE 110.A N LEU 44.A O no hydrogen 2.897 N/A SER 111.A N PHE 141.A O no hydrogen 3.091 N/A SER 111.A OG VAL 46.A O no hydrogen 2.671 N/A GLY 115.A N LEU 118.A O no hydrogen 2.893 N/A LEU 118.A N GLY 115.A O no hydrogen 2.840 N/A PHE 119.A N MET 117.A O no hydrogen 2.852 N/A ASN 120.A N TYR 116.A O no hydrogen 3.175 N/A ARG 122.A N PHE 119.A O no hydrogen 3.034 N/A ARG 122.A NE GLU 125.A OE2 no hydrogen 2.673 N/A ARG 122.A NH2 GLU 125.A OE1 no hydrogen 3.382 N/A ARG 122.A NH2 GLU 125.A OE2 no hydrogen 3.442 N/A SER 126.A OG GLU 98.A OE2 no hydrogen 2.705 N/A TYR 127.A N MET 123.A O no hydrogen 3.098 N/A TYR 127.A OH PRO 142.A O no hydrogen 2.586 N/A LEU 128.A N LEU 124.A O no hydrogen 3.067 N/A HIS 129.A N GLU 125.A O no hydrogen 3.007 N/A ALA 130.A N SER 126.A O no hydrogen 3.132 N/A LYS 131.A N LEU 128.A O no hydrogen 2.860 N/A LYS 131.A NZ PHE 214.A O no hydrogen 2.666 N/A LYS 131.A NZ LEU 215.A O no hydrogen 2.838 N/A LYS 131.A NZ ALA 217.A O no hydrogen 2.498 N/A LYS 132.A N HIS 129.A O no hydrogen 3.489 N/A LYS 132.A NZ HIS 129.A NE2 no hydrogen 3.321 N/A TYR 133.A N ALA 130.A O no hydrogen 2.924 N/A LEU 134.A N LYS 131.A O no hydrogen 2.846 N/A LYS 135.A N VAL 106.A O no hydrogen 3.073 N/A LYS 135.A NZ ASP 107.A OD1 no hydrogen 3.205 N/A GLY 138.A N LYS 135.A O no hydrogen 2.949 N/A ASN 139.A N ASP 107.A O no hydrogen 3.092 N/A ASN 139.A ND2 ILE 251.A O no hydrogen 2.580 N/A MET 140.A N.A ASN 139.A OD1 no hydrogen 2.935 N/A MET 140.A N.B ASN 139.A OD1 no hydrogen 2.921 N/A PHE 141.A N ILE 109.A O no hydrogen 2.832 N/A THR 143.A N ALA 249.A O no hydrogen 2.748 N/A THR 143.A OG1 MET 140.A O.A no hydrogen 2.570 N/A THR 143.A OG1 MET 140.A O.B no hydrogen 2.533 N/A ILE 144.A N ALA 249.A O no hydrogen 3.413 N/A GLY 145.A N VAL 212.A O no hydrogen 2.794 N/A ASP 146.A N ASP 247.A O no hydrogen 2.927 N/A VAL 147.A N TYR 210.A O no hydrogen 2.886 N/A HIS 148.A N TRP 245.A O no hydrogen 2.753 N/A HIS 148.A ND1 SER 207.A OG no hydrogen 3.220 N/A LEU 149.A N VAL 208.A O no hydrogen 2.978 N/A ALA 150.A N ALA 243.A O no hydrogen 3.019 N/A PHE 152.A N GLY 241.A O no hydrogen 3.005 N/A THR 153.A N ILE 202.A O no hydrogen 2.992 N/A THR 153.A OG1 LEU 238.A O no hydrogen 2.536 N/A ASP 154.A N HIS 240.A ND1 no hydrogen 2.875 N/A LEU 157.A N ASP 154.A OD1 no hydrogen 3.163 N/A TYR 158.A N ASP 154.A O no hydrogen 3.187 N/A MET 159.A N GLU 155.A O no hydrogen 2.991 N/A GLU 160.A N GLN 156.A O no hydrogen 3.022 N/A GLN 161.A NE2 LEU 157.A O no hydrogen 2.869 N/A THR 163.A N MET 159.A O no hydrogen 2.940 N/A THR 163.A OG1 MET 159.A O no hydrogen 3.408 N/A LYS 164.A N GLU 160.A O no hydrogen 3.079 N/A ALA 165.A N PHE 162.A O no hydrogen 2.936 N/A ASN 166.A N THR 163.A O no hydrogen 3.186 N/A TRP 168.A N ALA 165.A O no hydrogen 3.198 N/A TYR 169.A N ASN 166.A O no hydrogen 3.138 N/A GLN 170.A NE2 PHE 167.A O no hydrogen 2.808 N/A PHE 173.A N VAL 176.A O no hydrogen 2.732 N/A VAL 176.A N PHE 173.A O no hydrogen 2.978 N/A LEU 178.A N GLN 170.A O no hydrogen 2.871 N/A SER 179.A N ASP 177.A OD1 no hydrogen 2.937 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.518 N/A LEU 181.A N LEU 178.A O no hydrogen 2.869 N/A ARG 182.A N SER 179.A O no hydrogen 2.980 N/A ARG 182.A NE ASN 166.A OD1 no hydrogen 3.122 N/A ARG 182.A NH2 ASN 166.A OD1 no hydrogen 3.159 N/A ALA 185.A N LEU 181.A O no hydrogen 3.074 N/A VAL 186.A N ARG 182.A O no hydrogen 2.997 N/A ASP 187.A N.A GLY 183.A O no hydrogen 2.979 N/A ASP 187.A N.B GLY 183.A O no hydrogen 2.982 N/A GLU 188.A N ALA 184.A O no hydrogen 3.109 N/A GLU 188.A N ALA 185.A O no hydrogen 3.153 N/A TYR 189.A N ALA 185.A O no hydrogen 3.025 N/A PHE 190.A N VAL 186.A O no hydrogen 3.040 N/A ARG 191.A N GLU 188.A O no hydrogen 3.195 N/A ARG 191.A NE ASP 187.A OD2.A no hydrogen 2.872 N/A ARG 191.A NH1 LEU 321.A O no hydrogen 2.877 N/A ARG 191.A NH2 ASP 187.A OD2.A no hydrogen 2.922 N/A GLN 192.A N TYR 189.A O no hydrogen 3.139 N/A GLN 192.A NE2 ASN 326.A O no hydrogen 2.627 N/A VAL 194.A N ARG 274.A O no hydrogen 2.710 N/A VAL 195.A N PHE 328.A O no hydrogen 2.879 N/A ASP 196.A N GLN 272.A O no hydrogen 3.167 N/A THR 197.A OG1 GLN 272.A OE1 no hydrogen 2.719 N/A ARG 201.A N ASP 199.A OD1 no hydrogen 3.017 N/A ILE 202.A N ASP 199.A O no hydrogen 3.126 N/A LEU 203.A N ILE 200.A O no hydrogen 3.029 N/A MET 204.A N.A PRO 151.A O no hydrogen 3.034 N/A MET 204.A N.B PRO 151.A O no hydrogen 3.055 N/A SER 207.A OG HIS 148.A ND1 no hydrogen 3.220 N/A VAL 208.A N LEU 149.A O no hydrogen 2.862 N/A TYR 210.A N VAL 147.A O no hydrogen 2.868 N/A THR 211.A OG1 ASP 146.A OD1 no hydrogen 2.719 N/A VAL 212.A N GLY 145.A O no hydrogen 2.595 N/A PHE 214.A N THR 143.A O no hydrogen 2.976 N/A GLU 216.A N ASN 213.A O no hydrogen 3.190 N/A GLU 216.A N ASN 213.A OD1 no hydrogen 3.283 N/A ALA 217.A N ASN 213.A O no hydrogen 2.895 N/A LYS 218.A N ASP 221.A OD2 no hydrogen 2.966 N/A ASP 221.A N LYS 218.A O no hydrogen 2.975 N/A LEU 222.A N GLU 219.A O no hydrogen 3.323 N/A HIS 223.A N GLY 220.A O no hydrogen 3.253 N/A ARG 224.A NH1 GLU 226.A OE1 no hydrogen 3.169 N/A ILE 225.A N LEU 295.A O no hydrogen 2.895 N/A ILE 227.A N CYS 293.A O no hydrogen 2.571 N/A PHE 229.A N GLY 291.A O no hydrogen 2.872 N/A PHE 231.A N LEU 289.A O no hydrogen 2.763 N/A MET 233.A N ASP 287.A O no hydrogen 3.094 N/A LEU 234.A N MET 204.A O.A no hydrogen 2.776 N/A LEU 234.A N MET 204.A O.B no hydrogen 2.818 N/A GLY 237.A N ALA 283.A O no hydrogen 2.885 N/A VAL 239.A N LEU 281.A O no hydrogen 2.763 N/A HIS 240.A N PHE 152.A O no hydrogen 2.883 N/A LEU 242.A N CYS 275.A O no hydrogen 3.122 N/A ALA 243.A N ALA 150.A O no hydrogen 2.763 N/A PHE 244.A N VAL 273.A O no hydrogen 2.773 N/A TRP 245.A N HIS 148.A O no hydrogen 3.036 N/A PHE 246.A N THR 261.A OG1 no hydrogen 3.252 N/A ASP 247.A N ASP 146.A O no hydrogen 2.869 N/A VAL 248.A N LEU 259.A O no hydrogen 2.944 N/A ALA 249.A N ILE 144.A O no hydrogen 3.060 N/A PHE 250.A N VAL 257.A O no hydrogen 2.729 N/A ILE 251.A N THR 143.A OG1 no hydrogen 2.937 N/A GLY 252.A N MET 255.A O no hydrogen 3.016 N/A SER 253.A N ASP 37.A OD2 no hydrogen 2.854 N/A SER 253.A OG ASP 37.A OD1 no hydrogen 2.411 N/A SER 253.A OG ASP 37.A OD2 no hydrogen 3.254 N/A ILE 254.A N ASN 34.A OD1 no hydrogen 3.102 N/A MET 255.A N ASN 34.A OD1 no hydrogen 2.894 N/A VAL 257.A N PHE 250.A O no hydrogen 2.929 N/A LEU 259.A N VAL 248.A O no hydrogen 2.901 N/A SER 260.A OG ASP 247.A OD1 no hydrogen 2.635 N/A THR 261.A N PHE 246.A O no hydrogen 3.044 N/A THR 261.A OG1 PHE 246.A O no hydrogen 2.936 N/A ALA 262.A N SER 260.A OG no hydrogen 3.382 N/A GLU 265.A N ALA 262.A O no hydrogen 2.963 N/A HIS 269.A N ASP 20.A OD2 no hydrogen 2.942 N/A TRP 270.A N THR 268.A OG1 no hydrogen 3.184 N/A TRP 270.A NE1 MET 114.A O no hydrogen 2.939 N/A TYR 271.A N THR 268.A O no hydrogen 3.075 N/A GLN 272.A N ASP 196.A O no hydrogen 3.190 N/A GLN 272.A NE2 THR 261.A O no hydrogen 3.003 N/A VAL 273.A N PHE 244.A O no hydrogen 3.104 N/A ARG 274.A N VAL 194.A O no hydrogen 2.786 N/A ARG 274.A NH1 ASP 154.A OD2 no hydrogen 2.643 N/A ARG 274.A NH2 ASP 196.A OD1 no hydrogen 3.121 N/A CYS 275.A N LEU 242.A O no hydrogen 3.044 N/A PHE 277.A N HIS 240.A O no hydrogen 2.984 N/A GLN 278.A N SER 319.A O no hydrogen 3.275 N/A LEU 281.A N VAL 239.A O no hydrogen 3.082 N/A ALA 283.A N GLY 237.A O no hydrogen 3.077 N/A LYS 284.A N ASP 287.A OD2 no hydrogen 2.981 N/A ALA 285.A N SER 236.A OG no hydrogen 2.863 N/A GLY 286.A N MET 233.A O no hydrogen 2.916 N/A ASP 287.A N LYS 284.A O no hydrogen 3.123 N/A THR 288.A N GLN 313.A OE1 no hydrogen 2.886 N/A LEU 289.A N PHE 231.A O no hydrogen 2.886 N/A SER 290.A N GLN 310.A O no hydrogen 3.016 N/A SER 290.A OG ASP 312.A OD1 no hydrogen 2.871 N/A SER 290.A OG ASP 312.A OD2 no hydrogen 3.479 N/A GLY 291.A N PHE 229.A O no hydrogen 3.084 N/A THR 292.A N VAL 308.A O no hydrogen 2.935 N/A CYS 293.A N ILE 227.A O no hydrogen 2.813 N/A CYS 293.A SG SER 306.A O no hydrogen 3.882 N/A LEU 294.A N SER 306.A O no hydrogen 2.865 N/A LEU 295.A N ILE 225.A O no hydrogen 2.758 N/A ILE 296.A N ASP 304.A O no hydrogen 2.909 N/A ALA 297.A N HIS 223.A O no hydrogen 2.798 N/A ASN 298.A N SER 302.A O no hydrogen 2.968 N/A ASN 298.A ND2 ASP 304.A OD1 no hydrogen 3.019 N/A SER 302.A OG ASN 120.A OD1 no hydrogen 3.114 N/A TYR 303.A OH LEU 222.A O no hydrogen 2.687 N/A ASP 304.A N ILE 296.A O no hydrogen 2.872 N/A ILE 305.A N LEU 322.A O no hydrogen 3.057 N/A SER 306.A N LEU 294.A O no hydrogen 2.842 N/A ILE 307.A N ASN 320.A O no hydrogen 2.983 N/A VAL 308.A N THR 292.A O no hydrogen 2.891 N/A ALA 309.A N SER 318.A O no hydrogen 3.106 N/A GLN 310.A N SER 290.A O no hydrogen 2.773 N/A VAL 311.A N SER 316.A O no hydrogen 2.996 N/A ASP 312.A N THR 288.A O no hydrogen 2.973 N/A THR 314.A N VAL 311.A O no hydrogen 3.373 N/A GLY 315.A N VAL 311.A O no hydrogen 2.759 N/A SER 316.A N THR 314.A OG1 no hydrogen 3.085 N/A SER 318.A N ALA 309.A O no hydrogen 3.085 N/A SER 318.A OG SER 279.A O no hydrogen 2.466 N/A ASN 320.A N ILE 307.A O no hydrogen 3.109 N/A ASN 320.A ND2 PHE 190.A O no hydrogen 2.721 N/A ASN 320.A ND2 LEU 276.A O no hydrogen 2.785 N/A LEU 322.A N ILE 305.A O no hydrogen 2.834 N/A ASP 323.A N ARG 191.A O no hydrogen 2.991 N/A LEU 324.A N TYR 303.A O no hydrogen 3.415 N/A ASN 326.A N ASP 323.A O no hydrogen 3.167 N/A PHE 328.A N PRO 193.A O no hydrogen 2.923 N/A ARG 330.A N VAL 195.A O no hydrogen 3.166 N/A ARG 330.A NE GLU 160.A OE1 no hydrogen 3.220 N/A ARG 330.A NE GLU 160.A OE2 no hydrogen 3.286 N/A ARG 330.A NH1 GLU 160.A OE2 no hydrogen 3.045 N/A ARG 330.A NH2 ASP 196.A OD2 no hydrogen 2.820 N/A