Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h5a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N SER 49.A O no hydrogen 2.856 N/A ILE 4.A N ILE 79.A O no hydrogen 2.818 N/A LEU 5.A N PHE 45.A O no hydrogen 2.881 N/A GLY 6.A N PHE 77.A O no hydrogen 2.766 N/A TYR 8.A OH PHE 76.A O no hydrogen 2.446 N/A VAL 9.A N GLY 6.A O no hydrogen 3.400 N/A ALA 12.A N LEU 19.A O no hydrogen 3.085 N/A ARG 13.A NE GLY 17.A O no hydrogen 2.803 N/A SER 16.A N TYR 28.A OH no hydrogen 3.069 N/A SER 16.A OG GLU 30.A O no hydrogen 3.067 N/A GLY 18.A N VAL 29.A O no hydrogen 2.751 N/A LEU 19.A N ALA 12.A O no hydrogen 2.857 N/A VAL 20.A N GLN 27.A O no hydrogen 3.185 N/A GLY 21.A N LYS 10.A O no hydrogen 2.942 N/A GLU 26.A N GLY 23.A O no hydrogen 3.097 N/A GLN 27.A N VAL 20.A O no hydrogen 2.915 N/A VAL 29.A N GLY 18.A O no hydrogen 2.933 N/A TRP 35.A N ASN 31.A O no hydrogen 2.919 N/A GLU 36.A N LEU 32.A O no hydrogen 3.191 N/A ASN 37.A N VAL 33.A O no hydrogen 3.132 N/A ILE 38.A N LEU 34.A O no hydrogen 2.804 N/A ILE 39.A N TRP 35.A O no hydrogen 2.982 N/A LYS 40.A N GLU 36.A O no hydrogen 2.773 N/A LYS 40.A NZ ASN 37.A OD1 no hydrogen 3.500 N/A THR 41.A N ASN 37.A O no hydrogen 2.937 N/A ALA 42.A N ILE 38.A O no hydrogen 2.834 N/A TYR 43.A N ILE 39.A O no hydrogen 3.010 N/A CYS 44.A N LYS 40.A O no hydrogen 3.479 N/A CYS 44.A SG LYS 40.A O no hydrogen 4.038 N/A CYS 44.A SG ALA 54.A O no hydrogen 3.573 N/A PHE 45.A N ALA 42.A O no hydrogen 2.873 N/A ILE 46.A N TYR 43.A O no hydrogen 3.244 N/A SER 49.A N TYR 3.A O no hydrogen 2.916 N/A SER 49.A OG THR 47.A O no hydrogen 2.849 N/A ALA 53.A N SER 50.A OG no hydrogen 3.294 N/A ALA 54.A N SER 50.A O no hydrogen 2.980 N/A LEU 55.A N TYR 51.A O no hydrogen 3.126 N/A GLU 56.A N THR 52.A O no hydrogen 3.236 N/A THR 57.A N ALA 54.A O no hydrogen 2.963 N/A ALA 58.A N LEU 55.A O no hydrogen 2.807 N/A PHE 65.A N PRO 61.A O no hydrogen 3.195 N/A SER 66.A N LYS 63.A O no hydrogen 3.017 N/A ASN 67.A N ASP 64.A O no hydrogen 3.267 N/A CYS 68.A N ASP 64.A O no hydrogen 3.313 N/A CYS 68.A SG ASP 64.A O no hydrogen 3.585 N/A PHE 69.A N PHE 65.A O no hydrogen 2.887 N/A ARG 70.A N SER 66.A O no hydrogen 3.152 N/A ARG 70.A NH1 ASN 67.A OD1 no hydrogen 3.082 N/A ARG 70.A NH2 ASN 67.A OD1 no hydrogen 3.221 N/A PHE 71.A N ASN 67.A O no hydrogen 2.858 N/A LEU 72.A N CYS 68.A O no hydrogen 2.867 N/A LYS 73.A N PHE 69.A O no hydrogen 2.787 N/A LYS 73.A NZ TYR 3.A OH no hydrogen 2.672 N/A GLU 74.A N ARG 70.A O no hydrogen 2.990 N/A ASN 75.A N PHE 71.A O no hydrogen 2.950 N/A ASN 75.A ND2 PHE 71.A O no hydrogen 3.132 N/A PHE 76.A N LYS 73.A O no hydrogen 3.121 N/A ILE 78.A N LEU 72.A O no hydrogen 2.878 N/A ILE 79.A N ILE 4.A O no hydrogen 2.913 N/A GLY 81.A N ASP 2.A O no hydrogen 2.722 N/A TYR 83.A N PRO 80.A O no hydrogen 3.161 N/A ASN 84.A N GLY 81.A O no hydrogen 3.166 N/A ASN 85.A N GLU 82.A O no hydrogen 3.437 N/A SER 86.A OG THR 87.A O no hydrogen 3.447 N/A PHE 95.A N SER 92.A O no hydrogen 3.114 N/A TYR 98.A N ASN 94.A O no hydrogen 3.223 N/A GLN 99.A N PHE 95.A O no hydrogen 2.968 N/A SER 100.A N LEU 96.A O no hydrogen 2.881 N/A SER 100.A OG LEU 96.A O no hydrogen 3.426 N/A SER 100.A OG HIS 97.A O no hydrogen 2.717 N/A TYR 101.A N TYR 98.A O no hydrogen 3.197 N/A GLY 102.A N GLN 99.A O no hydrogen 2.752 N/A ALA 103.A N TYR 98.A O no hydrogen 3.066 N/A VAL 106.A N ASN 104.A OD1 no hydrogen 2.968 N/A VAL 108.A N ASN 104.A O no hydrogen 3.103 N/A GLN 109.A N PRO 105.A O no hydrogen 3.101 N/A GLN 109.A NE2 SER 136.A O no hydrogen 3.246 N/A ASP 110.A N VAL 106.A O no hydrogen 3.020 N/A LYS 111.A N LEU 107.A O no hydrogen 3.089 N/A LEU 112.A N VAL 108.A O no hydrogen 3.062 N/A LYS 113.A N GLN 109.A O no hydrogen 2.863 N/A ASN 114.A N ASP 110.A O no hydrogen 2.874 N/A ASN 114.A N LYS 111.A O no hydrogen 3.245 N/A ALA 115.A N LEU 112.A O no hydrogen 3.331 N/A LYS 116.A N ASP 206.A OD2 no hydrogen 2.777 N/A LYS 116.A NZ GLU 204.A O no hydrogen 3.468 N/A VAL 117.A N GLU 140.A O no hydrogen 3.021 N/A VAL 118.A N ILE 207.A O no hydrogen 3.251 N/A ILE 119.A N ILE 142.A O no hydrogen 2.820 N/A LEU 120.A N VAL 209.A O no hydrogen 2.793 N/A GLY 121.A N ILE 144.A O no hydrogen 2.938 N/A CYS 122.A N ASP 145.A OD2 no hydrogen 2.796 N/A CYS 122.A SG ILE 144.A O no hydrogen 3.881 N/A ASN 127.A N GLY 123.A O no hydrogen 2.893 N/A ASN 127.A ND2 CYS 122.A O no hydrogen 3.563 N/A ASN 127.A ND2 GLY 123.A O no hydrogen 3.527 N/A HIS 128.A N GLY 124.A O no hydrogen 3.171 N/A VAL 129.A N ILE 125.A O no hydrogen 2.937 N/A SER 130.A N GLY 126.A O no hydrogen 2.958 N/A SER 130.A OG GLY 126.A O no hydrogen 3.213 N/A SER 130.A OG ASN 127.A O no hydrogen 2.478 N/A VAL 131.A N ASN 127.A O no hydrogen 3.228 N/A ILE 132.A N HIS 128.A O no hydrogen 3.209 N/A LEU 133.A N VAL 129.A O no hydrogen 2.889 N/A ALA 134.A N SER 130.A O no hydrogen 2.722 N/A THR 135.A N VAL 131.A O no hydrogen 2.875 N/A THR 135.A OG1 VAL 131.A O no hydrogen 2.979 N/A THR 135.A OG1 ILE 132.A O no hydrogen 3.237 N/A SER 136.A N LEU 133.A O no hydrogen 3.235 N/A SER 136.A OG ILE 132.A O no hydrogen 3.306 N/A GLY 137.A N ALA 134.A O no hydrogen 3.085 N/A ILE 138.A N LEU 133.A O no hydrogen 3.153 N/A GLY 139.A N LEU 112.A O no hydrogen 2.824 N/A GLU 140.A N ALA 115.A O no hydrogen 2.961 N/A ILE 141.A N SER 185.A O no hydrogen 2.918 N/A ILE 142.A N VAL 117.A O no hydrogen 2.799 N/A LEU 143.A N SER 187.A O no hydrogen 2.859 N/A ILE 144.A N ILE 119.A O no hydrogen 3.088 N/A ASP 145.A N ILE 189.A O no hydrogen 3.157 N/A ASN 146.A N ASN 192.A OD1 no hydrogen 2.999 N/A ASP 147.A N ASP 145.A OD1 no hydrogen 3.032 N/A GLN 148.A NE2 ASN 168.A OD1 no hydrogen 2.661 N/A ILE 149.A N LYS 167.A O no hydrogen 2.842 N/A ASN 153.A N GLU 150.A O no hydrogen 3.251 N/A ARG 156.A N ASN 153.A O no hydrogen 3.042 N/A GLN 157.A N ASN 153.A O no hydrogen 3.077 N/A LEU 159.A N GLN 157.A O no hydrogen 2.797 N/A PHE 160.A N GLN 157.A O no hydrogen 3.215 N/A SER 161.A N ASP 164.A OD2 no hydrogen 2.797 N/A ASP 164.A N SER 161.A O no hydrogen 3.288 N/A GLY 166.A N ILE 149.A O no hydrogen 2.790 N/A LYS 167.A N ASP 164.A O no hydrogen 2.974 N/A LYS 167.A NZ ASP 163.A O no hydrogen 3.269 N/A LYS 167.A NZ ASP 163.A OD2 no hydrogen 3.535 N/A LYS 169.A N ASP 147.A O no hydrogen 3.122 N/A THR 170.A OG1 GLU 188.A OE1 no hydrogen 2.537 N/A VAL 172.A N ASN 168.A O no hydrogen 3.263 N/A ILE 173.A N LYS 169.A O no hydrogen 3.052 N/A LYS 174.A N THR 170.A O no hydrogen 3.006 N/A LYS 174.A NZ VAL 186.A O no hydrogen 2.732 N/A ARG 175.A N GLU 171.A O no hydrogen 3.125 N/A GLU 176.A N VAL 172.A O no hydrogen 2.861 N/A LEU 177.A N ILE 173.A O no hydrogen 2.787 N/A LEU 178.A N LYS 174.A O no hydrogen 3.251 N/A LEU 178.A N ARG 175.A O no hydrogen 3.040 N/A LYS 179.A N ARG 175.A O no hydrogen 3.103 N/A LYS 179.A NZ GLU 176.A OE2 no hydrogen 2.934 N/A ARG 180.A NE GLU 176.A O no hydrogen 2.980 N/A ARG 180.A NH2 GLU 176.A OE1 no hydrogen 2.457 N/A ASN 181.A N LEU 177.A O no hydrogen 3.089 N/A ASN 181.A ND2 ALA 134.A O no hydrogen 3.550 N/A GLU 183.A N ASN 181.A OD1 no hydrogen 2.800 N/A SER 185.A N GLY 139.A O no hydrogen 2.997 N/A SER 187.A N ILE 141.A O no hydrogen 3.034 N/A ILE 189.A N LEU 143.A O no hydrogen 3.105 N/A ASN 192.A ND2 ASP 147.A OD1 no hydrogen 2.993 N/A ASN 194.A N ASP 198.A OD2 no hydrogen 2.854 N/A ASP 195.A N ASP 198.A OD2 no hydrogen 2.784 N/A ASP 198.A N ASP 195.A O no hydrogen 2.928 N/A LEU 199.A N TYR 196.A O no hydrogen 3.198 N/A HIS 200.A N THR 197.A O no hydrogen 3.245 N/A LYS 201.A N ASP 198.A O no hydrogen 3.031 N/A LYS 201.A NZ ASP 198.A OD1 no hydrogen 3.559 N/A VAL 202.A N LEU 199.A O no hydrogen 3.076 N/A ALA 205.A N GLN 231.A OE1 no hydrogen 3.354 N/A ASP 206.A N LYS 116.A O no hydrogen 3.037 N/A TRP 208.A N PRO 232.A O no hydrogen 3.043 N/A TRP 208.A NE1 PRO 203.A O no hydrogen 3.052 N/A VAL 209.A N VAL 118.A O no hydrogen 2.798 N/A VAL 210.A N ILE 234.A O no hydrogen 2.847 N/A ASP 213.A N ASP 213.A OD1 no hydrogen 2.322 N/A LEU 218.A N PRO 215.A O no hydrogen 2.728 N/A TRP 221.A N ASN 217.A O no hydrogen 3.426 N/A VAL 222.A N LEU 218.A O no hydrogen 2.889 N/A ASN 223.A N ILE 219.A O no hydrogen 2.763 N/A ASN 223.A ND2 TYR 233.A OH no hydrogen 2.621 N/A LYS 224.A N ASN 220.A O no hydrogen 3.044 N/A TYR 225.A N TRP 221.A O no hydrogen 2.893 N/A CYS 226.A N VAL 222.A O no hydrogen 2.884 N/A VAL 227.A N ASN 223.A O no hydrogen 2.961 N/A ARG 228.A N LYS 224.A O no hydrogen 2.983 N/A ALA 229.A N TYR 225.A O no hydrogen 2.761 N/A ASN 230.A N VAL 227.A O no hydrogen 3.462 N/A ASN 230.A ND2 ASN 230.A O no hydrogen 2.881 N/A GLN 231.A N CYS 226.A O no hydrogen 2.861 N/A GLN 231.A NE2 ALA 205.A O no hydrogen 2.876 N/A GLN 231.A NE2 PRO 232.A O no hydrogen 2.844 N/A TYR 233.A N TYR 249.A O no hydrogen 3.315 N/A ILE 234.A N TRP 208.A O no hydrogen 2.820 N/A ASN 235.A N PRO 247.A O no hydrogen 3.351 N/A ASN 235.A ND2 VAL 210.A O no hydrogen 3.404 N/A ALA 236.A N VAL 210.A O no hydrogen 3.207 N/A GLY 237.A N VAL 244.A O no hydrogen 2.871 N/A VAL 239.A N ILE 242.A O no hydrogen 2.814 N/A ILE 242.A N VAL 239.A O no hydrogen 2.936 N/A ALA 243.A N ILE 324.A O no hydrogen 2.928 N/A VAL 244.A N GLY 237.A O no hydrogen 2.754 N/A PHE 245.A N ILE 322.A O no hydrogen 2.993 N/A GLY 246.A N ASN 235.A O no hydrogen 2.748 N/A LEU 248.A N SER 317.A O no hydrogen 2.905 N/A TYR 249.A N TYR 233.A O no hydrogen 2.822 N/A LYS 253.A N VAL 250.A O no hydrogen 2.833 N/A THR 254.A OG1 ASN 319.A OD1 no hydrogen 3.033 N/A GLY 255.A N ASN 319.A OD1 no hydrogen 3.060 N/A CYS 256.A SG ASN 223.A OD1 no hydrogen 3.202 N/A CYS 259.A N CYS 256.A O no hydrogen 3.170 N/A GLN 260.A NE2 GLY 337.A O no hydrogen 2.833 N/A ALA 264.A N VAL 262.A O no hydrogen 2.402 N/A SER 269.A N ASP 275.A OD1 no hydrogen 2.941 N/A SER 269.A OG LYS 271.A O no hydrogen 3.397 N/A LYS 271.A N SER 269.A OG no hydrogen 2.966 N/A ILE 274.A N LYS 271.A O no hydrogen 3.214 N/A ASP 275.A N LYS 271.A O no hydrogen 2.853 N/A HIS 276.A N GLU 272.A O no hydrogen 3.033 N/A ILE 278.A N ILE 274.A O no hydrogen 2.887 N/A LYS 279.A N ASP 275.A O no hydrogen 2.652 N/A LYS 279.A NZ ASP 275.A OD1 no hydrogen 3.334 N/A LYS 279.A NZ ASP 275.A OD2 no hydrogen 3.425 N/A LEU 280.A N HIS 276.A O no hydrogen 2.966 N/A ILE 281.A N LYS 277.A O no hydrogen 3.089 N/A ASN 282.A N ILE 278.A O no hydrogen 2.956 N/A SER 283.A N LYS 279.A O no hydrogen 3.226 N/A SER 283.A N LEU 280.A O no hydrogen 2.966 N/A SER 283.A OG LEU 280.A O no hydrogen 2.850 N/A ARG 284.A N ILE 281.A O no hydrogen 3.376 N/A PHE 285.A N ASN 282.A O no hydrogen 3.419 N/A ALA 288.A N ASN 240.A OD1 no hydrogen 2.675 N/A VAL 293.A N PHE 290.A O no hydrogen 2.761 N/A ASN 295.A N ALA 291.A O no hydrogen 3.183 N/A ASN 295.A ND2 ALA 291.A O no hydrogen 3.102 N/A VAL 296.A N PRO 292.A O no hydrogen 3.391 N/A ALA 297.A N VAL 293.A O no hydrogen 3.142 N/A ALA 298.A N ASN 294.A O no hydrogen 2.891 N/A ALA 299.A N ASN 295.A O no hydrogen 2.846 N/A LEU 300.A N VAL 296.A O no hydrogen 3.010 N/A CYS 301.A N ALA 297.A O no hydrogen 2.857 N/A ALA 302.A N ALA 298.A O no hydrogen 2.981 N/A ALA 303.A N ALA 299.A O no hydrogen 2.932 N/A ASP 304.A N LEU 300.A O no hydrogen 3.048 N/A VAL 305.A N CYS 301.A O no hydrogen 3.072 N/A ILE 306.A N ALA 302.A O no hydrogen 2.877 N/A LYS 307.A N ALA 303.A O no hydrogen 3.116 N/A PHE 308.A N ASP 304.A O no hydrogen 2.839 N/A ILE 309.A N VAL 305.A O no hydrogen 3.100 N/A GLY 310.A N ILE 306.A O no hydrogen 2.987 N/A LYS 311.A NZ PHE 308.A O no hydrogen 2.911 N/A LEU 316.A N ASP 304.A OD1 no hydrogen 2.540 N/A SER 317.A N ASP 304.A OD2 no hydrogen 3.153 N/A SER 317.A OG ASP 304.A OD2 no hydrogen 2.822 N/A ARG 321.A N GLN 334.A O no hydrogen 3.041 N/A ARG 321.A NH1 GLN 334.A OE1 no hydrogen 2.701 N/A ILE 322.A N PHE 245.A O no hydrogen 2.836 N/A GLY 323.A N HIS 332.A O no hydrogen 2.872 N/A ILE 324.A N ALA 243.A O no hydrogen 2.725 N/A TRP 325.A N LYS 330.A O no hydrogen 3.058 N/A SER 326.A OG ASP 241.A O no hydrogen 2.948 N/A SER 326.A OG ASP 241.A OD2 no hydrogen 3.447 N/A LYS 330.A NZ GLU 328.A OE2 no hydrogen 3.066 N/A HIS 332.A N GLY 323.A O no hydrogen 3.052 N/A GLN 334.A N ARG 321.A O no hydrogen 2.814 N/A ASN 335.A ND2 ASN 319.A O no hydrogen 3.435 N/A MET 336.A N ASN 319.A O no hydrogen 2.814 N/A ARG 338.A NH1 CYS 345.A O no hydrogen 3.328 N/A VAL 341.A N SER 339.A OG no hydrogen 3.260 N/A CYS 342.A N SER 339.A O no hydrogen 3.289 N/A GLY 346.A N CYS 342.A O no hydrogen 3.055 N/A