Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8g3a_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N MET 1.A O no hydrogen 2.576 N/A LEU 6.A N ILE 2.A O no hydrogen 2.912 N/A ILE 7.A N LYS 3.A O no hydrogen 2.897 N/A ILE 7.A N ALA 4.A O no hydrogen 3.236 N/A GLU 8.A N ALA 4.A O no hydrogen 2.917 N/A ARG 9.A N PHE 5.A O no hydrogen 3.058 N/A ARG 10.A NH1 ILE 7.A O no hydrogen 3.406 N/A PHE 16.A N TRP 12.A O no hydrogen 2.947 N/A LEU 17.A N ILE 13.A O no hydrogen 2.920 N/A PHE 18.A N ALA 14.A O no hydrogen 2.904 N/A GLN 19.A N ALA 15.A O no hydrogen 2.926 N/A GLN 20.A N PHE 16.A O no hydrogen 2.971 N/A ALA 21.A N LEU 17.A O no hydrogen 2.916 N/A LEU 22.A N PHE 18.A O no hydrogen 2.890 N/A MET 23.A N GLN 19.A O no hydrogen 2.968 N/A LEU 24.A N GLN 20.A O no hydrogen 2.958 N/A PHE 25.A N ALA 21.A O no hydrogen 2.904 N/A ILE 26.A N LEU 22.A O no hydrogen 2.984 N/A ALA 27.A N MET 23.A O no hydrogen 2.959 N/A PHE 28.A N LEU 24.A O no hydrogen 2.880 N/A VAL 29.A N PHE 25.A O no hydrogen 2.982 N/A ASP 30.A N ALA 27.A O no hydrogen 3.441 N/A LEU 39.A N PHE 35.A O no hydrogen 2.952 N/A TYR 40.A N GLY 36.A O no hydrogen 2.948 N/A MET 41.A N ASN 37.A O no hydrogen 2.957 N/A VAL 42.A N VAL 38.A O no hydrogen 2.896 N/A TYR 43.A N LEU 39.A O no hydrogen 2.990 N/A LEU 44.A N TYR 40.A O no hydrogen 2.988 N/A CYS 45.A N MET 41.A O no hydrogen 2.920 N/A CYS 45.A SG MET 41.A O no hydrogen 3.156 N/A ILE 46.A N VAL 42.A O no hydrogen 2.915 N/A LEU 47.A N TYR 43.A O no hydrogen 3.059 N/A PHE 48.A N LEU 44.A O no hydrogen 2.973 N/A PHE 49.A N CYS 45.A O no hydrogen 2.864 N/A ILE 50.A N ILE 46.A O no hydrogen 2.971 N/A ILE 51.A N LEU 47.A O no hydrogen 3.082 N/A PHE 52.A N PHE 48.A O no hydrogen 2.905 N/A LEU 53.A N PHE 49.A O no hydrogen 2.868 N/A TRP 54.A N ILE 50.A O no hydrogen 3.010 N/A PHE 55.A N ILE 51.A O no hydrogen 3.033 N/A ARG 56.A N PHE 52.A O no hydrogen 2.934 N/A TYR 57.A N LEU 53.A O no hydrogen 2.904 N/A ARG 58.A N TRP 54.A O no hydrogen 3.017 N/A LYS 59.A N PHE 55.A O no hydrogen 2.957 N/A GLU 60.A N ARG 56.A O no hydrogen 2.882 N/A GLU 60.A N TYR 57.A O no hydrogen 3.092 N/A THR 61.A N TYR 57.A O no hydrogen 3.029 N/A SER 66.A N ALA 62.A O no hydrogen 2.963 N/A SER 66.A OG PHE 63.A O no hydrogen 2.305 N/A LEU 67.A N PHE 63.A O no hydrogen 2.917 N/A LYS 68.A N TYR 64.A O no hydrogen 2.915 N/A THR 69.A N LYS 65.A O no hydrogen 2.927 N/A TRP 70.A N SER 66.A O no hydrogen 2.941 N/A TRP 70.A N LEU 67.A O no hydrogen 3.177 N/A GLU 71.A N LEU 67.A O no hydrogen 3.230 N/A ALA 78.A N ASP 75.A O no hydrogen 3.393 N/A ASN 80.A N SER 66.A OG no hydrogen 3.241 N/A THR 84.A OG1 GLU 87.A OE2 no hydrogen 2.460 N/A GLU 87.A N THR 84.A O no hydrogen 3.135 N/A ALA 88.A N PRO 85.A O no hydrogen 3.251 N/A GLU 91.A N GLU 87.A O no hydrogen 2.968 N/A ARG 92.A N ALA 88.A O no hydrogen 2.856 N/A SER 93.A N MET 89.A O no hydrogen 2.941 N/A ILE 94.A N VAL 90.A O no hydrogen 2.973 N/A ALA 95.A N GLU 91.A O no hydrogen 2.910 N/A GLY 96.A N ARG 92.A O no hydrogen 2.887 N/A GLN 97.A N SER 93.A O no hydrogen 2.994 N/A THR 98.A N ILE 94.A O no hydrogen 2.943 N/A THR 98.A OG1 ILE 94.A O no hydrogen 3.014 N/A THR 98.A OG1 ALA 95.A O no hydrogen 2.586 N/A GLU 99.A N ALA 95.A O no hydrogen 2.908 N/A HIS 100.A N GLY 96.A O no hydrogen 2.949 N/A LEU 101.A N GLN 97.A O no hydrogen 2.961 N/A LYS 102.A N THR 98.A O no hydrogen 2.927 N/A GLN 103.A N GLU 99.A O no hydrogen 2.928 N/A THR 104.A N HIS 100.A O no hydrogen 2.966 N/A THR 104.A OG1 HIS 100.A O no hydrogen 3.093 N/A ALA 105.A N LEU 101.A O no hydrogen 2.955 N/A ALA 106.A N LYS 102.A O no hydrogen 2.914 N/A ARG 107.A N GLN 103.A O no hydrogen 2.969 N/A HIS 108.A N THR 104.A O no hydrogen 2.955 N/A ARG 109.A N ALA 105.A O no hydrogen 2.932 N/A ARG 109.A NE ALA 105.A O no hydrogen 3.138 N/A LEU 110.A N ALA 106.A O no hydrogen 2.938 N/A ALA 111.A N ARG 107.A O no hydrogen 2.950 N/A LEU 112.A N HIS 108.A O no hydrogen 2.976 N/A GLU 113.A N ARG 109.A O no hydrogen 2.917 N/A ASN 114.A N LEU 110.A O no hydrogen 2.957 N/A GLU 115.A N ALA 111.A O no hydrogen 2.938 N/A LYS 116.A N LEU 112.A O no hydrogen 2.916 N/A LYS 116.A NZ GLU 115.A OE1 no hydrogen 3.501 N/A ASP 117.A N GLU 113.A O no hydrogen 2.932 N/A GLU 118.A N ASN 114.A O no hydrogen 2.944 N/A LEU 119.A N GLU 115.A O no hydrogen 2.890 N/A MET 120.A N LYS 116.A O no hydrogen 2.933 N/A ALA 121.A N ASP 117.A O no hydrogen 2.934 N/A TRP 122.A N GLU 118.A O no hydrogen 2.932 N/A ILE 123.A N LEU 119.A O no hydrogen 2.898 N/A HIS 124.A N MET 120.A O no hydrogen 2.950 N/A GLU 125.A N ALA 121.A O no hydrogen 2.923 N/A VAL 126.A N TRP 122.A O no hydrogen 2.888 N/A VAL 126.A N ILE 123.A O no hydrogen 3.202 N/A LYS 127.A N ILE 123.A O no hydrogen 2.900 N/A LYS 127.A NZ HIS 124.A ND1 no hydrogen 3.567 N/A THR 128.A N HIS 124.A O no hydrogen 2.991 N/A THR 128.A OG1 HIS 124.A O no hydrogen 2.671 N/A THR 131.A N LYS 127.A O no hydrogen 3.363 N/A ALA 132.A N THR 128.A O no hydrogen 2.992 N/A MET 133.A N PRO 129.A O no hydrogen 2.846 N/A HIS 134.A N LEU 130.A O no hydrogen 2.919 N/A LEU 135.A N THR 131.A O no hydrogen 2.925 N/A ILE 136.A N ALA 132.A O no hydrogen 2.940 N/A ILE 137.A N MET 133.A O no hydrogen 2.846 N/A ASP 138.A N HIS 134.A O no hydrogen 2.953 N/A LYS 146.A N GLU 142.A O no hydrogen 3.187 N/A SER 147.A N LYS 143.A O no hydrogen 2.888 N/A GLN 148.A N ALA 144.A O no hydrogen 2.943 N/A LEU 149.A N LEU 145.A O no hydrogen 2.925 N/A SER 150.A N LYS 146.A O no hydrogen 2.856 N/A SER 150.A OG LYS 146.A O no hydrogen 3.109 N/A TYR 151.A N SER 147.A O no hydrogen 2.894 N/A GLU 152.A N GLN 148.A O no hydrogen 2.978 N/A TRP 153.A N LEU 149.A O no hydrogen 2.893 N/A TRP 153.A NE1 LEU 130.A O no hydrogen 3.117 N/A LEU 154.A N SER 150.A O no hydrogen 2.846 N/A ARG 155.A N TYR 151.A O no hydrogen 2.953 N/A ILE 156.A N GLU 152.A O no hydrogen 2.961 N/A HIS 157.A N TRP 153.A O no hydrogen 2.873 N/A LEU 158.A N LEU 154.A O no hydrogen 2.874 N/A LEU 159.A N ARG 155.A O no hydrogen 2.938 N/A LEU 160.A N ILE 156.A O no hydrogen 2.922 N/A ASP 161.A N HIS 157.A O no hydrogen 2.893 N/A GLN 162.A N LEU 158.A O no hydrogen 2.884 N/A GLN 162.A NE2 GLN 227.A OE1 no hydrogen 2.301 N/A GLN 163.A N LEU 159.A O no hydrogen 2.929 N/A LEU 164.A N LEU 160.A O no hydrogen 2.910 N/A HIS 165.A N ASP 161.A O no hydrogen 2.926 N/A HIS 165.A ND1 ASP 161.A O no hydrogen 2.740 N/A GLN 166.A N GLN 162.A O no hydrogen 2.857 N/A LYS 167.A N GLN 163.A O no hydrogen 2.938 N/A ARG 168.A N LEU 164.A O no hydrogen 2.924 N/A ARG 168.A NH2 ASP 175.A OD2 no hydrogen 2.839 N/A PHE 171.A N ARG 168.A O no hydrogen 3.209 N/A ASN 174.A N PHE 171.A O no hydrogen 2.740 N/A ASP 175.A N ILE 172.A O no hydrogen 2.719 N/A SER 177.A N ASP 217.A OD2 no hydrogen 2.771 N/A GLU 179.A N SER 216.A O no hydrogen 3.323 N/A ILE 181.A N VAL 214.A O no hydrogen 2.589 N/A LEU 183.A N LYS 212.A O no hydrogen 2.530 N/A ILE 187.A N LEU 183.A O no hydrogen 2.895 N/A PHE 188.A N GLN 184.A O no hydrogen 2.916 N/A LYS 189.A N PRO 185.A O no hydrogen 2.894 N/A GLU 190.A N LEU 186.A O no hydrogen 2.914 N/A ILE 191.A N ILE 187.A O no hydrogen 2.889 N/A LYS 192.A N PHE 188.A O no hydrogen 2.908 N/A ASP 193.A N LYS 189.A O no hydrogen 2.901 N/A LEU 194.A N GLU 190.A O no hydrogen 3.275 N/A LEU 194.A N ILE 191.A O no hydrogen 3.239 N/A CYS 198.A N LEU 194.A O no hydrogen 3.505 N/A CYS 198.A SG LEU 194.A O no hydrogen 3.192 N/A ILE 199.A N GLN 195.A O no hydrogen 2.898 N/A GLN 200.A N SER 196.A O no hydrogen 2.920 N/A LYS 201.A N TRP 197.A O no hydrogen 2.901 N/A LYS 201.A NZ VAL 233.A O no hydrogen 3.242 N/A LYS 201.A NZ LYS 234.A O no hydrogen 2.879 N/A LYS 201.A NZ SER 236.A O no hydrogen 3.035 N/A ILE 203.A N CYS 198.A O no hydrogen 2.920 N/A ASP 206.A N ILE 241.A O no hydrogen 3.486 N/A GLN 208.A N ILE 243.A O no hydrogen 3.256 N/A GLN 208.A NE2 ASP 206.A OD2 no hydrogen 2.720 N/A GLU 210.A N SER 245.A O no hydrogen 2.870 N/A ALA 211.A N SER 245.A O no hydrogen 3.277 N/A VAL 214.A N ILE 181.A O no hydrogen 2.882 N/A SER 216.A N GLU 179.A O no hydrogen 3.430 N/A TRP 220.A N ASP 217.A OD1 no hydrogen 3.179 N/A TRP 220.A NE1 ASP 175.A OD2 no hydrogen 3.147 N/A LEU 221.A N ASP 217.A O no hydrogen 3.202 N/A ALA 222.A N ALA 218.A O no hydrogen 2.907 N/A PHE 223.A N LYS 219.A O no hydrogen 2.897 N/A ILE 224.A N TRP 220.A O no hydrogen 2.909 N/A ILE 225.A N LEU 221.A O no hydrogen 2.922 N/A ARG 226.A N ALA 222.A O no hydrogen 2.870 N/A ARG 226.A NH1 GLU 190.A OE1 no hydrogen 3.522 N/A ARG 226.A NH2 ASP 161.A OD2 no hydrogen 2.649 N/A GLN 227.A N PHE 223.A O no hydrogen 2.889 N/A LEU 228.A N ILE 224.A O no hydrogen 2.948 N/A LEU 229.A N ILE 225.A O no hydrogen 2.903 N/A THR 230.A N ARG 226.A O no hydrogen 2.860 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.728 N/A ASN 231.A N GLN 227.A O no hydrogen 2.928 N/A ALA 232.A N LEU 228.A O no hydrogen 2.923 N/A VAL 233.A N LEU 229.A O no hydrogen 2.887 N/A LYS 234.A N THR 230.A O no hydrogen 2.887 N/A LYS 234.A NZ SER 287.A OG no hydrogen 3.045 N/A TYR 235.A N ASN 231.A O no hydrogen 2.925 N/A SER 236.A N VAL 233.A O no hydrogen 3.327 N/A SER 236.A OG ALA 232.A O no hydrogen 2.867 N/A SER 236.A OG ASP 258.A OD2 no hydrogen 2.912 N/A ALA 238.A N LYS 201.A O no hydrogen 3.101 N/A ILE 241.A N GLY 204.A O no hydrogen 3.133 N/A GLU 242.A N LYS 257.A O no hydrogen 2.509 N/A ILE 243.A N ASP 206.A O no hydrogen 3.425 N/A LYS 244.A N GLN 255.A O no hydrogen 2.715 N/A LYS 244.A NZ GLU 242.A OE1 no hydrogen 2.883 N/A SER 245.A N GLN 208.A O no hydrogen 3.366 N/A SER 245.A OG ALA 211.A O no hydrogen 2.972 N/A PHE 246.A N GLN 253.A O no hydrogen 2.811 N/A LYS 248.A N GLN 251.A O no hydrogen 3.090 N/A GLN 251.A N LYS 248.A O no hydrogen 3.207 N/A THR 252.A OG1 GLN 247.A OE1 no hydrogen 2.477 N/A GLN 253.A N PHE 246.A O no hydrogen 2.880 N/A LEU 254.A N LEU 320.A O no hydrogen 2.647 N/A GLN 255.A N LYS 244.A O no hydrogen 2.419 N/A VAL 256.A N PHE 318.A O no hydrogen 2.552 N/A LYS 257.A N GLU 242.A O no hydrogen 2.745 N/A LYS 257.A NZ GLU 242.A OE1 no hydrogen 3.337 N/A LYS 257.A NZ GLU 242.A OE2 no hydrogen 3.363 N/A ASP 258.A N THR 316.A O no hydrogen 3.052 N/A CYS 259.A SG GLU 240.A O no hydrogen 3.762 N/A ARG 261.A N TYR 235.A O no hydrogen 3.430 N/A ARG 261.A NH2 ASP 284.A OD2 no hydrogen 2.680 N/A ILE 263.A N SER 310.A OG no hydrogen 2.712 N/A LYS 266.A N ASP 264.A OD1 no hydrogen 2.992 N/A ASP 267.A N ASP 264.A O no hydrogen 2.864 N/A VAL 268.A N PRO 265.A O no hydrogen 3.370 N/A ARG 270.A N ASP 267.A O no hydrogen 3.167 N/A ILE 271.A N VAL 268.A O no hydrogen 3.404 N/A ASP 273.A N ARG 270.A O no hydrogen 3.289 N/A GLN 285.A N HIS 282.A O no hydrogen 3.233 N/A SER 287.A N ASP 284.A O no hydrogen 3.191 N/A LEU 294.A N MET 290.A O no hydrogen 3.062 N/A ALA 295.A N GLY 291.A O no hydrogen 2.906 N/A LYS 296.A N LEU 292.A O no hydrogen 2.903 N/A LYS 297.A N TYR 293.A O no hydrogen 2.918 N/A ALA 298.A N LEU 294.A O no hydrogen 2.892 N/A ALA 299.A N ALA 295.A O no hydrogen 2.906 N/A ALA 299.A N LYS 296.A O no hydrogen 3.300 N/A LEU 302.A N ALA 299.A O no hydrogen 3.072 N/A LEU 303.A N ALA 300.A O no hydrogen 3.074 N/A ILE 304.A N ALA 299.A O no hydrogen 3.126 N/A HIS 305.A N THR 321.A O no hydrogen 3.192 N/A HIS 305.A ND1 ASP 307.A OD2 no hydrogen 2.917 N/A ASP 307.A N THR 319.A O no hydrogen 2.614 N/A GLU 309.A N VAL 317.A O no hydrogen 2.606 N/A SER 310.A OG GLY 315.A O no hydrogen 3.421 N/A SER 310.A OG THR 316.A OG1 no hydrogen 2.852 N/A GLU 311.A N GLY 315.A O no hydrogen 2.809 N/A GLY 313.A N ARG 261.A O no hydrogen 2.816 N/A ALA 314.A N GLU 311.A O no hydrogen 3.294 N/A GLY 315.A N GLU 311.A O no hydrogen 3.413 N/A THR 316.A N ASP 258.A O no hydrogen 3.311 N/A THR 316.A N ASP 258.A OD1 no hydrogen 3.126 N/A THR 316.A OG1 SER 310.A OG no hydrogen 2.852 N/A VAL 317.A N GLU 309.A O no hydrogen 2.494 N/A PHE 318.A N VAL 256.A O no hydrogen 2.556 N/A THR 319.A N ASP 307.A O no hydrogen 2.431 N/A LEU 320.A N LEU 254.A O no hydrogen 2.574 N/A THR 321.A N HIS 305.A O no hydrogen 2.853 N/A PHE 322.A N THR 252.A O no hydrogen 2.402 N/A ILE 324.A N GLN 327.A OE1 no hydrogen 3.062 N/A GLN 327.A N ILE 324.A O no hydrogen 3.129 N/A PHE 328.A N ARG 325.A O no hydrogen 3.479 N/A GLU 329.A N ASN 326.A O no hydrogen 3.353 N/A ILE 332.A N PHE 328.A O no hydrogen 2.912 N/A SER 333.A N GLU 329.A O no hydrogen 2.943 N/A SER 333.A OG GLU 329.A O no hydrogen 3.369 N/A SER 333.A OG HIS 330.A O no hydrogen 2.450 N/A VAL 334.A N HIS 330.A O no hydrogen 3.322 N/A