Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qem_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 28.A O no hydrogen 3.010 N/A ILE 6.A N ARG 30.A O no hydrogen 3.471 N/A ALA 7.A N GLY 59.A O no hydrogen 3.289 N/A VAL 8.A N GLU 32.A O no hydrogen 3.294 N/A ILE 9.A N VAL 61.A O no hydrogen 2.844 N/A LEU 10.A N VAL 34.A O no hydrogen 2.837 N/A VAL 11.A N ALA 63.A O no hydrogen 2.772 N/A ILE 19.A N ASP 15.A O no hydrogen 3.156 N/A LYS 20.A N GLU 16.A O no hydrogen 2.821 N/A ASP 21.A N ALA 18.A O no hydrogen 3.028 N/A ALA 22.A N ALA 18.A O no hydrogen 3.454 N/A LEU 25.A N HIS 23.A O no hydrogen 3.101 N/A SER 26.A N SER 268.A OG no hydrogen 3.237 N/A VAL 28.A N PRO 2.A O no hydrogen 2.942 N/A ARG 30.A N ILE 4.A O no hydrogen 2.819 N/A GLU 32.A N ILE 6.A O no hydrogen 3.283 N/A VAL 34.A N VAL 8.A O no hydrogen 2.806 N/A THR 39.A OG1 GLN 68.A OE1 no hydrogen 3.490 N/A LYS 42.A N ASP 40.A OD1 no hydrogen 2.875 N/A SER 43.A N ASP 40.A OD1 no hydrogen 3.107 N/A SER 43.A OG ASP 40.A OD2 no hydrogen 2.365 N/A ILE 44.A N ASP 40.A O no hydrogen 3.079 N/A ILE 45.A N PRO 41.A O no hydrogen 2.881 N/A THR 46.A N LYS 42.A O no hydrogen 3.057 N/A THR 46.A OG1 LYS 42.A O no hydrogen 2.933 N/A ARG 47.A N SER 43.A O no hydrogen 2.763 N/A ILE 48.A N ILE 44.A O no hydrogen 3.173 N/A CYS 49.A N ILE 45.A O no hydrogen 2.847 N/A CYS 49.A SG ILE 45.A O no hydrogen 3.446 N/A ASP 50.A N THR 46.A O no hydrogen 2.858 N/A LEU 51.A N ARG 47.A O no hydrogen 3.032 N/A MET 52.A N ILE 48.A O no hydrogen 3.069 N/A SER 53.A N ASP 50.A O no hydrogen 2.699 N/A SER 53.A OG ASP 50.A O no hydrogen 2.688 N/A ASP 54.A N ASP 50.A O no hydrogen 3.182 N/A ARG 55.A N LEU 51.A O no hydrogen 3.175 N/A GLN 58.A N GLY 5.A O no hydrogen 2.757 N/A GLY 59.A N GLY 5.A O no hydrogen 3.342 N/A VAL 61.A N ALA 7.A O no hydrogen 2.820 N/A PHE 62.A N LEU 87.A O no hydrogen 2.627 N/A ALA 63.A N ILE 9.A O no hydrogen 3.084 N/A ASP 64.A N HIS 90.A O no hydrogen 2.649 N/A THR 66.A N ASP 64.A OD2 no hydrogen 3.139 N/A THR 66.A OG1 ASP 64.A OD2 no hydrogen 2.539 N/A GLN 68.A N THR 66.A OG1 no hydrogen 3.278 N/A ALA 70.A N GLU 69.A OE1 no hydrogen 2.783 N/A ILE 71.A N GLN 68.A O no hydrogen 2.773 N/A ALA 72.A N GLU 69.A O no hydrogen 2.822 N/A ILE 74.A N ALA 70.A O no hydrogen 3.007 N/A LEU 75.A N ILE 71.A O no hydrogen 3.046 N/A ASP 76.A N ALA 72.A O no hydrogen 3.154 N/A PHE 77.A N GLN 73.A O no hydrogen 3.068 N/A ILE 78.A N ILE 74.A O no hydrogen 3.055 N/A SER 79.A N LEU 75.A O no hydrogen 2.677 N/A SER 79.A OG THR 84.A O no hydrogen 3.138 N/A ALA 80.A N ASP 76.A O no hydrogen 2.981 N/A GLN 81.A N PHE 77.A O no hydrogen 3.053 N/A THR 82.A N ILE 78.A O no hydrogen 3.320 N/A THR 82.A OG1 ILE 78.A O no hydrogen 2.873 N/A THR 82.A OG1 THR 84.A OG1 no hydrogen 3.202 N/A THR 84.A OG1 THR 82.A OG1 no hydrogen 3.202 N/A ILE 86.A N MET 105.A O no hydrogen 3.040 N/A LEU 87.A N VAL 60.A O no hydrogen 2.924 N/A GLY 88.A N PHE 107.A O no hydrogen 2.991 N/A ILE 89.A N PHE 62.A O no hydrogen 2.826 N/A GLY 92.A N ASP 64.A OD2 no hydrogen 3.103 N/A SER 93.A N ASP 64.A OD1 no hydrogen 2.882 N/A SER 93.A OG PHE 62.A O no hydrogen 3.175 N/A SER 94.A N GLY 91.A O no hydrogen 3.071 N/A SER 94.A OG PHE 109.A O no hydrogen 2.950 N/A MET 95.A N GLY 92.A O no hydrogen 3.077 N/A MET 97.A N GLN 108.A OE1 no hydrogen 3.315 N/A LYS 100.A NZ GLN 108.A OE1 no hydrogen 3.066 N/A LYS 100.A NZ ASP 317.A O no hydrogen 3.195 N/A ASP 101.A N ASP 76.A OD2 no hydrogen 3.324 N/A SER 103.A N ASP 101.A OD1 no hydrogen 2.737 N/A SER 103.A OG ASP 101.A OD1 no hydrogen 2.800 N/A SER 104.A OG ASP 76.A OD1 no hydrogen 3.175 N/A MET 105.A N SER 79.A OG no hydrogen 2.963 N/A PHE 106.A N SER 104.A OG no hydrogen 2.919 N/A PHE 107.A N ILE 86.A O no hydrogen 2.996 N/A GLN 108.A N GLY 318.A O no hydrogen 3.026 N/A GLN 108.A NE2 SER 93.A O no hydrogen 3.148 N/A GLN 108.A NE2 MET 95.A O no hydrogen 2.489 N/A PHE 109.A N GLY 88.A O no hydrogen 3.133 N/A GLY 110.A N GLN 320.A OE1 no hydrogen 3.086 N/A GLN 115.A N SER 112.A O no hydrogen 2.505 N/A GLN 116.A N SER 112.A O no hydrogen 2.898 N/A GLN 116.A NE2 PRO 111.A O no hydrogen 3.109 N/A ALA 117.A N ILE 113.A O no hydrogen 3.148 N/A SER 118.A N GLU 114.A O no hydrogen 3.199 N/A VAL 119.A N GLN 115.A O no hydrogen 2.809 N/A MET 120.A N GLN 116.A O no hydrogen 2.728 N/A LEU 121.A N SER 118.A O no hydrogen 2.759 N/A ASN 122.A N SER 118.A O no hydrogen 3.165 N/A ILE 123.A N VAL 119.A O no hydrogen 3.260 N/A MET 124.A N MET 120.A O no hydrogen 3.475 N/A GLU 125.A N LEU 121.A O no hydrogen 2.921 N/A GLU 126.A N ASN 122.A O no hydrogen 2.962 N/A TYR 127.A N ILE 123.A O no hydrogen 3.280 N/A TYR 127.A OH TYR 351.A O no hydrogen 3.193 N/A ASP 128.A N GLU 125.A O no hydrogen 2.772 N/A TRP 129.A N MET 124.A O no hydrogen 2.668 N/A PHE 132.A N GLU 161.A O no hydrogen 3.446 N/A SER 133.A N ILE 190.A O no hydrogen 3.132 N/A SER 133.A OG SER 188.A OG no hydrogen 3.004 N/A ILE 134.A N GLU 164.A O no hydrogen 3.087 N/A VAL 135.A N LEU 192.A O no hydrogen 2.905 N/A THR 136.A N LEU 166.A O no hydrogen 2.861 N/A THR 136.A OG1 THR 137.A O no hydrogen 3.273 N/A THR 137.A N TYR 194.A O no hydrogen 3.034 N/A THR 137.A OG1 GLU 199.A OE1 no hydrogen 2.705 N/A PHE 139.A N THR 137.A OG1 no hydrogen 3.300 N/A TYR 142.A N PHE 139.A O no hydrogen 2.916 N/A GLN 143.A NE2 TYR 142.A OH no hydrogen 2.964 N/A PHE 145.A N GLY 141.A O no hydrogen 2.824 N/A VAL 146.A N TYR 142.A O no hydrogen 3.048 N/A ASN 147.A N GLN 143.A O no hydrogen 2.953 N/A LYS 148.A N ASP 144.A O no hydrogen 2.910 N/A ILE 149.A N PHE 145.A O no hydrogen 3.113 N/A ARG 150.A N VAL 146.A O no hydrogen 3.012 N/A SER 151.A N ASN 147.A O no hydrogen 3.110 N/A SER 151.A OG ASN 147.A O no hydrogen 3.526 N/A THR 152.A N ILE 149.A O no hydrogen 2.994 N/A THR 152.A OG1 LYS 148.A O no hydrogen 2.761 N/A ILE 153.A N ILE 149.A O no hydrogen 2.949 N/A GLU 154.A N ARG 150.A O no hydrogen 2.670 N/A ASN 155.A N SER 151.A O no hydrogen 3.338 N/A TRP 160.A N VAL 158.A O no hydrogen 2.843 N/A GLU 161.A N TYR 130.A O no hydrogen 2.967 N/A GLU 163.A N PHE 132.A O no hydrogen 3.014 N/A LEU 166.A N ILE 134.A O no hydrogen 2.778 N/A LEU 168.A N THR 136.A O no hydrogen 2.734 N/A SER 171.A N ASP 169.A OD1 no hydrogen 3.006 N/A SER 171.A OG ASP 169.A OD1 no hydrogen 2.734 N/A SER 171.A OG ASP 169.A OD2 no hydrogen 3.141 N/A GLY 175.A N ASP 173.A OD2 no hydrogen 3.324 N/A ILE 179.A N ASP 174.A OD1 no hydrogen 3.328 N/A ASN 181.A N SER 177.A O no hydrogen 3.293 N/A GLN 182.A N LYS 178.A O no hydrogen 3.224 N/A LEU 183.A N ILE 179.A O no hydrogen 2.894 N/A LYS 184.A N GLN 180.A O no hydrogen 3.038 N/A LYS 185.A N GLN 182.A O no hydrogen 2.807 N/A LEU 186.A N LEU 183.A O no hydrogen 3.113 N/A SER 188.A OG SER 133.A OG no hydrogen 3.004 N/A ILE 191.A N THR 218.A O no hydrogen 2.950 N/A LEU 192.A N SER 133.A O no hydrogen 2.976 N/A LEU 193.A N ILE 220.A O no hydrogen 2.939 N/A TYR 194.A N VAL 135.A O no hydrogen 2.864 N/A TYR 194.A OH PRO 140.A O no hydrogen 2.764 N/A CYS 195.A SG THR 196.A O no hydrogen 3.478 N/A THR 196.A N GLU 199.A OE1 no hydrogen 3.104 N/A LYS 197.A NZ ASP 67.A OD2 no hydrogen 2.718 N/A LYS 197.A NZ ALA 226.A O no hydrogen 2.908 N/A LYS 197.A NZ ASP 228.A O no hydrogen 3.137 N/A LYS 197.A NZ THR 231.A O no hydrogen 3.545 N/A ALA 200.A N THR 196.A O no hydrogen 2.641 N/A THR 201.A N LYS 197.A O no hydrogen 2.987 N/A THR 201.A OG1 GLU 198.A O no hydrogen 3.445 N/A ILE 203.A N GLU 199.A O no hydrogen 2.990 N/A PHE 204.A N ALA 200.A O no hydrogen 2.932 N/A GLU 205.A N THR 201.A O no hydrogen 3.142 N/A VAL 206.A N ILE 203.A O no hydrogen 2.986 N/A ALA 207.A N ILE 203.A O no hydrogen 2.795 N/A ASN 208.A N PHE 204.A O no hydrogen 2.737 N/A SER 209.A OG GLU 205.A O no hydrogen 3.184 N/A GLY 211.A N ASN 208.A O no hydrogen 2.723 N/A LEU 212.A N ALA 207.A O no hydrogen 2.938 N/A THR 213.A OG1 ASN 208.A OD1 no hydrogen 3.333 N/A THR 218.A N PRO 189.A O no hydrogen 2.667 N/A THR 218.A OG1 PRO 189.A O no hydrogen 3.403 N/A TRP 219.A NE1 LEU 212.A O no hydrogen 2.755 N/A ILE 220.A N ILE 191.A O no hydrogen 3.185 N/A VAL 221.A N ILE 241.A O no hydrogen 3.172 N/A SER 223.A N GLN 116.A OE1 no hydrogen 3.135 N/A VAL 225.A N PRO 222.A O no hydrogen 2.780 N/A ALA 226.A N PRO 222.A O no hydrogen 3.414 N/A GLY 227.A N SER 223.A O no hydrogen 2.669 N/A ASP 228.A N ASP 67.A OD1 no hydrogen 2.979 N/A ASP 230.A N ASP 228.A OD1 no hydrogen 3.257 N/A THR 231.A N ASP 228.A O no hydrogen 3.145 N/A THR 231.A OG1 ASP 228.A OD2 no hydrogen 3.388 N/A SER 234.A OG GLU 235.A OE1 no hydrogen 3.542 N/A SER 234.A OG GLU 235.A OE2 no hydrogen 3.181 N/A GLU 235.A N GLU 235.A OE2 no hydrogen 2.416 N/A PHE 236.A N PRO 233.A O no hydrogen 3.190 N/A GLY 239.A N LEU 330.A O no hydrogen 2.922 N/A ILE 241.A N TRP 219.A O no hydrogen 2.995 N/A SER 242.A N ILE 328.A O no hydrogen 3.127 N/A SER 242.A OG VAL 221.A O no hydrogen 3.211 N/A SER 242.A OG VAL 243.A O no hydrogen 2.737 N/A TYR 245.A OH GLN 320.A OE1 no hydrogen 3.019 N/A ASP 246.A N LYS 324.A O no hydrogen 3.424 N/A GLU 247.A N TYR 245.A O no hydrogen 2.535 N/A TYR 250.A N ASP 246.A O no hydrogen 2.761 N/A TYR 250.A OH ASP 258.A OD2 no hydrogen 2.772 N/A ARG 255.A N GLY 251.A O no hydrogen 3.260 N/A ARG 255.A N LEU 252.A O no hydrogen 2.682 N/A ARG 255.A NE TYR 250.A O no hydrogen 3.089 N/A ARG 255.A NH1 ILE 89.A O no hydrogen 2.825 N/A ARG 255.A NH2 TYR 250.A O no hydrogen 3.329 N/A VAL 256.A N LEU 252.A O no hydrogen 2.823 N/A ARG 257.A N PRO 253.A O no hydrogen 2.968 N/A ASP 258.A N ALA 254.A O no hydrogen 3.274 N/A GLY 259.A N ARG 255.A O no hydrogen 2.803 N/A ILE 260.A N VAL 256.A O no hydrogen 3.091 N/A ALA 261.A N ARG 257.A O no hydrogen 3.122 N/A ILE 262.A N ASP 258.A O no hydrogen 3.058 N/A THR 264.A N ILE 260.A O no hydrogen 3.251 N/A THR 264.A OG1 ILE 260.A O no hydrogen 2.891 N/A THR 265.A N ALA 261.A O no hydrogen 2.700 N/A THR 265.A OG1 ALA 261.A O no hydrogen 3.057 N/A ALA 266.A N ILE 262.A O no hydrogen 2.873 N/A ALA 267.A N ILE 263.A O no hydrogen 3.175 N/A SER 268.A N THR 264.A O no hydrogen 2.848 N/A ASP 269.A N THR 265.A O no hydrogen 2.978 N/A MET 270.A N ALA 266.A O no hydrogen 3.338 N/A MET 270.A N ALA 267.A O no hydrogen 2.957 N/A LEU 271.A N ALA 267.A O no hydrogen 2.994 N/A SER 272.A N SER 268.A O no hydrogen 2.947 N/A SER 272.A OG ASP 269.A O no hydrogen 2.783 N/A GLU 273.A N ASP 269.A O no hydrogen 3.043 N/A HIS 288.A N HIS 288.A ND1 no hydrogen 2.708 N/A ARG 291.A N GLU 289.A O no hydrogen 2.900 N/A GLN 294.A N ARG 291.A O no hydrogen 3.186 N/A GLN 294.A NE2 THR 82.A O no hydrogen 3.224 N/A ASN 296.A ND2 ASN 296.A O no hydrogen 2.409 N/A ASN 299.A ND2 SER 104.A O no hydrogen 3.269 N/A TYR 301.A N LEU 298.A O no hydrogen 2.766 N/A LEU 302.A N LEU 298.A O no hydrogen 2.844 N/A ILE 303.A N ASN 299.A O no hydrogen 3.260 N/A PHE 307.A N ARG 310.A O no hydrogen 2.958 N/A ARG 310.A N PHE 307.A O no hydrogen 2.776 N/A LEU 312.A N VAL 305.A O no hydrogen 3.047 N/A SER 315.A N TYR 319.A O no hydrogen 2.804 N/A GLN 320.A N GLY 110.A O no hydrogen 3.192 N/A GLN 320.A NE2 TYR 245.A OH no hydrogen 2.866 N/A MET 321.A N SER 313.A O no hydrogen 2.966 N/A LEU 325.A N TRP 342.A O no hydrogen 3.272 N/A VAL 326.A N SER 244.A O no hydrogen 2.918 N/A ILE 327.A N GLY 340.A O no hydrogen 2.713 N/A ILE 328.A N SER 242.A O no hydrogen 2.757 N/A LEU 329.A N GLU 337.A O no hydrogen 2.763 N/A LEU 330.A N LEU 240.A O no hydrogen 3.116 N/A ASN 331.A N LYS 335.A O no hydrogen 3.010 N/A GLU 333.A N ASN 331.A OD1 no hydrogen 2.694 N/A ARG 334.A N ASN 331.A O no hydrogen 3.185 N/A ARG 334.A NH1 PHE 236.A O no hydrogen 2.819 N/A ARG 334.A NH2 PRO 233.A O no hydrogen 2.861 N/A ARG 334.A NH2 PHE 236.A O no hydrogen 2.502 N/A LYS 335.A N ASN 331.A OD1 no hydrogen 3.110 N/A GLU 337.A N LEU 329.A O no hydrogen 2.823 N/A VAL 339.A N ILE 327.A O no hydrogen 2.742 N/A LYS 341.A N GLN 348.A O no hydrogen 2.828 N/A TRP 342.A N LEU 325.A O no hydrogen 2.915 N/A LYS 343.A N SER 346.A O no hydrogen 2.980 N/A GLN 348.A N LYS 341.A O no hydrogen 2.829 N/A LYS 350.A N VAL 339.A O no hydrogen 2.899 N/A