Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2thi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LYS 33.A O no hydrogen 2.770 N/A LYS 4.A N ASP 51.A OD2 no hydrogen 2.950 N/A LYS 4.A NZ ASP 49.A OD2 no hydrogen 3.362 N/A VAL 5.A N GLU 35.A O no hydrogen 2.844 N/A ALA 6.A N VAL 52.A O no hydrogen 3.270 N/A TYR 10.A OH ASP 40.A OD2 no hydrogen 2.553 N/A VAL 11.A N PRO 9.A O no hydrogen 2.894 N/A ASP 13.A N GLN 305.A OE1 no hydrogen 2.782 N/A ARG 16.A NE ASP 13.A OD2 no hydrogen 2.809 N/A ARG 16.A NH1 ARG 296.A O no hydrogen 3.130 N/A ARG 16.A NH1 TYR 303.A O no hydrogen 3.089 N/A ARG 16.A NH2 ASP 13.A OD2 no hydrogen 3.491 N/A PHE 17.A N PRO 14.A O no hydrogen 2.892 N/A GLN 18.A N PRO 14.A O no hydrogen 3.231 N/A ALA 19.A N ALA 15.A O no hydrogen 2.909 N/A ALA 20.A N ARG 16.A O no hydrogen 3.155 N/A VAL 21.A N PHE 17.A O no hydrogen 2.751 N/A LEU 22.A N GLN 18.A O no hydrogen 3.039 N/A ASP 23.A N ALA 19.A O no hydrogen 3.094 N/A GLN 24.A N ALA 20.A O no hydrogen 3.142 N/A TRP 25.A N VAL 21.A O no hydrogen 2.891 N/A TRP 25.A NE1 VAL 32.A O no hydrogen 3.118 N/A GLN 26.A N LEU 22.A O no hydrogen 3.035 N/A ARG 27.A NH2 ASP 23.A OD2 no hydrogen 2.819 N/A GLN 28.A N TRP 25.A O no hydrogen 2.885 N/A GLU 29.A N TRP 25.A O no hydrogen 2.657 N/A VAL 32.A N GLU 29.A O no hydrogen 3.173 N/A LYS 33.A N ILE 1.A O no hydrogen 2.897 N/A GLU 35.A N LEU 3.A O no hydrogen 2.809 N/A THR 37.A N VAL 5.A O no hydrogen 2.736 N/A TRP 39.A NE1 ASP 45.A O no hydrogen 3.224 N/A TYR 42.A N ASP 40.A OD1 no hydrogen 3.261 N/A TYR 42.A OH ASP 56.A OD2 no hydrogen 3.077 N/A SER 43.A N ASP 40.A O no hydrogen 2.924 N/A SER 43.A OG ASP 40.A O no hydrogen 3.274 N/A ALA 44.A N ASP 40.A O no hydrogen 2.996 N/A LEU 50.A N PRO 47.A O no hydrogen 3.157 N/A VAL 52.A N LYS 4.A O no hydrogen 3.323 N/A PHE 53.A N SER 267.A O no hydrogen 3.155 N/A VAL 54.A N ALA 6.A O no hydrogen 3.123 N/A LEU 55.A N VAL 265.A O no hydrogen 2.997 N/A ASP 56.A N SER 41.A OG no hydrogen 3.342 N/A SER 57.A N SER 263.A O no hydrogen 2.763 N/A SER 57.A OG SER 263.A O no hydrogen 2.999 N/A ILE 58.A N ASP 56.A OD1 no hydrogen 3.080 N/A PHE 59.A N ASP 56.A O no hydrogen 3.024 N/A LEU 60.A N SER 57.A O no hydrogen 3.289 N/A SER 61.A OG LEU 342.A O no hydrogen 3.266 N/A PHE 63.A N PHE 59.A O no hydrogen 2.976 N/A VAL 64.A N LEU 60.A O no hydrogen 2.849 N/A ASP 65.A N SER 61.A O no hydrogen 2.915 N/A ALA 66.A N HIS 62.A O no hydrogen 3.056 N/A GLY 67.A N VAL 64.A O no hydrogen 2.993 N/A TYR 68.A N PHE 63.A O no hydrogen 3.089 N/A TYR 68.A OH ASP 45.A OD2 no hydrogen 3.070 N/A LEU 70.A N VAL 268.A O no hydrogen 3.060 N/A PHE 72.A N VAL 97.A O no hydrogen 2.779 N/A GLY 73.A N ASP 76.A OD2 no hydrogen 2.926 N/A ASP 76.A N GLY 73.A O no hydrogen 2.750 N/A ASP 78.A N ASN 283.A OD1 no hydrogen 2.968 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.955 N/A ASP 82.A N GLN 79.A O no hydrogen 2.925 N/A LEU 84.A N ALA 310.A O no hydrogen 2.902 N/A ALA 87.A N LEU 84.A O no hydrogen 2.863 N/A LEU 88.A N LEU 84.A O no hydrogen 3.150 N/A GLN 89.A N PRO 85.A O no hydrogen 3.211 N/A GLY 90.A N PHE 86.A O no hydrogen 3.078 N/A ALA 91.A N LEU 88.A O no hydrogen 3.174 N/A LYS 92.A N GLN 89.A O no hydrogen 3.161 N/A ARG 93.A N GLU 96.A O no hydrogen 2.748 N/A ARG 93.A NE ASP 65.A OD1 no hydrogen 3.102 N/A ARG 93.A NE ASP 65.A OD2 no hydrogen 3.440 N/A ARG 93.A NH1 ASP 176.A OD1 no hydrogen 3.246 N/A ARG 93.A NH2 ASP 65.A OD2 no hydrogen 3.027 N/A ARG 93.A NH2 ASP 176.A OD1 no hydrogen 3.053 N/A GLU 96.A N ARG 93.A O no hydrogen 2.837 N/A TYR 98.A N ALA 91.A O no hydrogen 2.888 N/A TYR 98.A OH GLU 96.A OE2 no hydrogen 3.256 N/A LEU 100.A N VAL 266.A O no hydrogen 2.923 N/A GLN 102.A N ASP 264.A O no hydrogen 2.791 N/A ILE 103.A N ASP 264.A O no hydrogen 3.354 N/A LEU 104.A N LEU 308.A O no hydrogen 2.654 N/A CYS 105.A N TYR 262.A O no hydrogen 2.876 N/A CYS 105.A SG GLU 233.A OE2 no hydrogen 3.880 N/A THR 106.A OG1 ASN 107.A O no hydrogen 3.549 N/A THR 106.A OG1 LEU 260.A O no hydrogen 3.131 N/A LEU 108.A N GLY 230.A O no hydrogen 2.761 N/A LEU 109.A N LYS 248.A O no hydrogen 2.925 N/A PHE 110.A N PHE 228.A O no hydrogen 2.498 N/A TYR 111.A N ARG 246.A O no hydrogen 2.941 N/A ARG 112.A NH1 GLY 225.A O no hydrogen 2.661 N/A ARG 112.A NH2 PHE 220.A O no hydrogen 2.629 N/A ARG 112.A NH2 SER 224.A O no hydrogen 2.932 N/A ARG 112.A NH2 GLY 225.A O no hydrogen 3.178 N/A LYS 113.A N GLN 244.A O no hydrogen 3.157 N/A ASP 115.A N ARG 112.A O no hydrogen 2.926 N/A VAL 121.A N ILE 118.A O no hydrogen 3.076 N/A ASP 122.A N GLU 126.A OE1 no hydrogen 2.974 N/A ILE 124.A N SER 251.A O no hydrogen 3.229 N/A TYR 125.A N ASN 123.A OD1 no hydrogen 3.093 N/A GLU 126.A N ASN 123.A OD1 no hydrogen 3.406 N/A LEU 127.A N ASN 123.A O no hydrogen 3.082 N/A TYR 128.A N ILE 124.A O no hydrogen 2.937 N/A TYR 128.A OH THR 133.A OG1 no hydrogen 2.931 N/A LYS 129.A N TYR 125.A O no hydrogen 3.096 N/A LYS 130.A N LEU 127.A O no hydrogen 3.176 N/A ILE 131.A N LEU 127.A O no hydrogen 3.177 N/A GLY 132.A N TYR 128.A O no hydrogen 2.741 N/A THR 133.A OG1 TYR 128.A OH no hydrogen 2.931 N/A SER 134.A N ASN 197.A O no hydrogen 2.737 N/A SER 134.A OG SER 136.A O no hydrogen 3.349 N/A ASN 144.A N GLY 223.A O no hydrogen 3.065 N/A LYS 145.A N PRO 142.A O no hydrogen 3.267 N/A LEU 147.A N MET 198.A O no hydrogen 2.829 N/A LEU 148.A N ALA 227.A O no hydrogen 2.757 N/A MET 151.A N SER 204.A O no hydrogen 3.048 N/A ALA 152.A N ASN 150.A OD1 no hydrogen 3.143 N/A THR 156.A N GLY 153.A O no hydrogen 3.236 N/A THR 156.A OG1 ALA 152.A O no hydrogen 3.211 N/A LYS 157.A N GLY 153.A O no hydrogen 3.407 N/A LYS 157.A NZ MET 151.A O no hydrogen 3.082 N/A LYS 157.A NZ GLY 153.A O no hydrogen 3.343 N/A LYS 157.A NZ GLN 205.A OE1 no hydrogen 3.052 N/A ALA 158.A N GLY 154.A O no hydrogen 3.165 N/A SER 159.A N THR 155.A O no hydrogen 2.962 N/A SER 159.A OG THR 155.A O no hydrogen 3.065 N/A MET 160.A N THR 156.A O no hydrogen 2.957 N/A TYR 161.A N LYS 157.A O no hydrogen 2.893 N/A LEU 162.A N ALA 158.A O no hydrogen 3.297 N/A GLU 163.A N SER 159.A O no hydrogen 2.936 N/A ALA 164.A N MET 160.A O no hydrogen 2.884 N/A LEU 165.A N TYR 161.A O no hydrogen 2.859 N/A ILE 166.A N LEU 162.A O no hydrogen 3.348 N/A ASP 167.A N GLU 163.A O no hydrogen 3.439 N/A VAL 168.A N ALA 164.A O no hydrogen 2.950 N/A THR 169.A N LEU 165.A O no hydrogen 3.103 N/A THR 169.A OG1 LEU 165.A O no hydrogen 3.031 N/A THR 169.A OG1 ILE 166.A O no hydrogen 3.412 N/A TYR 172.A OH VAL 339.A O no hydrogen 2.635 N/A TYR 175.A N THR 173.A OG1 no hydrogen 2.901 N/A TYR 175.A OH LEU 162.A O no hydrogen 2.723 N/A ASN 185.A N TYR 161.A OH no hydrogen 2.806 N/A VAL 188.A N ASN 185.A OD1 no hydrogen 3.266 N/A ILE 189.A N ASN 185.A O no hydrogen 3.094 N/A ARG 190.A N ASP 186.A O no hydrogen 2.620 N/A GLY 191.A N LYS 187.A O no hydrogen 3.285 N/A LEU 192.A N VAL 188.A O no hydrogen 2.977 N/A ARG 193.A N ILE 189.A O no hydrogen 3.002 N/A ARG 193.A NH2 ALA 360.A O no hydrogen 3.017 N/A LEU 194.A N ARG 190.A O no hydrogen 3.300 N/A LEU 195.A N GLY 191.A O no hydrogen 3.347 N/A ILE 196.A N LEU 192.A O no hydrogen 3.168 N/A ASN 197.A N ARG 193.A O no hydrogen 2.893 N/A MET 198.A N LEU 194.A O no hydrogen 3.124 N/A ALA 199.A N LEU 195.A O no hydrogen 3.138 N/A GLY 200.A N ILE 196.A O no hydrogen 2.635 N/A LYS 202.A N GLU 137.A OE1 no hydrogen 2.864 N/A SER 204.A N GLY 200.A O no hydrogen 3.200 N/A SER 204.A OG GLY 200.A O no hydrogen 3.022 N/A SER 204.A OG GLU 201.A O no hydrogen 3.073 N/A GLN 205.A N GLU 201.A O no hydrogen 3.119 N/A GLN 205.A NE2 MET 151.A O no hydrogen 3.192 N/A GLN 205.A NE2 SER 204.A OG no hydrogen 3.232 N/A TYR 206.A N PRO 203.A O no hydrogen 3.361 N/A GLY 211.A N PRO 208.A O no hydrogen 3.007 N/A ASP 212.A N ASP 210.A OD1 no hydrogen 3.130 N/A TYR 214.A N ASP 212.A OD1 no hydrogen 3.061 N/A VAL 215.A N ASP 212.A O no hydrogen 3.501 N/A ARG 216.A NH2 PRO 203.A O no hydrogen 2.817 N/A ARG 216.A NH2 TYR 206.A O no hydrogen 2.834 N/A ALA 217.A N TYR 214.A O no hydrogen 2.961 N/A SER 218.A N VAL 215.A O no hydrogen 2.774 N/A TRP 219.A N VAL 215.A O no hydrogen 3.151 N/A PHE 220.A N ARG 216.A O no hydrogen 3.099 N/A ALA 221.A N ALA 217.A O no hydrogen 3.248 N/A GLN 222.A N SER 218.A O no hydrogen 3.006 N/A GLY 223.A N TRP 219.A O no hydrogen 3.056 N/A GLY 223.A N PHE 220.A O no hydrogen 3.153 N/A SER 224.A N TRP 219.A O no hydrogen 2.888 N/A SER 224.A OG PRO 141.A O no hydrogen 2.888 N/A GLY 225.A N PRO 142.A O no hydrogen 3.294 N/A ARG 226.A N GLY 146.A O no hydrogen 2.861 N/A ARG 226.A NE ASP 115.A OD2 no hydrogen 2.856 N/A ARG 226.A NH2 ASP 115.A OD1 no hydrogen 2.960 N/A ARG 226.A NH2 ASP 115.A OD2 no hydrogen 3.247 N/A ALA 227.A N GLY 146.A O no hydrogen 3.470 N/A PHE 228.A N PHE 110.A O no hydrogen 2.937 N/A ILE 229.A N LEU 148.A O no hydrogen 2.816 N/A GLY 230.A N LEU 108.A O no hydrogen 3.068 N/A SER 232.A OG TYR 306.A O no hydrogen 2.691 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 2.905 N/A SER 234.A N TYR 231.A O no hydrogen 3.040 N/A SER 234.A OG TYR 231.A O no hydrogen 2.963 N/A MET 235.A N SER 232.A O no hydrogen 2.901 N/A MET 236.A N GLU 233.A O no hydrogen 3.224 N/A ARG 237.A NH1 ASP 212.A OD1 no hydrogen 2.810 N/A ARG 237.A NH1 ASP 212.A OD2 no hydrogen 2.640 N/A ARG 237.A NH2 ASP 212.A OD2 no hydrogen 2.761 N/A MET 238.A N MET 235.A O no hydrogen 3.238 N/A GLY 239.A N MET 236.A O no hydrogen 3.004 N/A TYR 241.A N MET 238.A O no hydrogen 2.851 N/A ALA 242.A N GLY 239.A O no hydrogen 3.330 N/A GLN 244.A N TYR 241.A O no hydrogen 2.686 N/A ARG 246.A N TYR 111.A O no hydrogen 2.829 N/A ARG 246.A NH1 VAL 245.A O no hydrogen 2.558 N/A LYS 248.A N LEU 109.A O no hydrogen 3.260 N/A LYS 248.A NZ GLY 119.A O no hydrogen 3.277 N/A LYS 248.A NZ VAL 121.A O no hydrogen 3.295 N/A SER 251.A N ASP 122.A O no hydrogen 3.023 N/A SER 251.A OG SER 253.A O no hydrogen 3.495 N/A SER 253.A N SER 251.A OG no hydrogen 3.327 N/A ALA 254.A N SER 253.A OG no hydrogen 2.619 N/A ILE 258.A N ASP 167.A OD1 no hydrogen 2.902 N/A PHE 261.A N ARG 338.A O no hydrogen 3.010 N/A TYR 262.A N CYS 105.A O no hydrogen 2.702 N/A ASP 264.A N ILE 103.A O no hydrogen 2.829 N/A VAL 265.A N LEU 55.A O no hydrogen 2.970 N/A VAL 266.A N LEU 100.A O no hydrogen 2.746 N/A SER 267.A N PHE 53.A O no hydrogen 2.878 N/A SER 267.A OG TYR 98.A O no hydrogen 2.940 N/A ASN 269.A N ASP 51.A O no hydrogen 2.923 N/A ASN 269.A ND2 PRO 47.A O no hydrogen 3.182 N/A ASN 269.A ND2 LEU 50.A O no hydrogen 3.118 N/A SER 270.A N TYR 68.A O no hydrogen 2.820 N/A SER 270.A OG GLY 67.A O no hydrogen 2.890 N/A SER 270.A OG TYR 68.A O no hydrogen 3.284 N/A LYS 271.A N ASN 269.A OD1 no hydrogen 3.248 N/A THR 272.A N ASN 269.A O no hydrogen 3.257 N/A THR 272.A OG1 ASP 51.A OD1 no hydrogen 2.784 N/A HIS 274.A N THR 272.A OG1 no hydrogen 3.194 N/A ALA 278.A N HIS 274.A O no hydrogen 2.869 N/A LYS 279.A N PRO 275.A O no hydrogen 2.923 N/A LYS 279.A NZ ASP 76.A OD2 no hydrogen 3.079 N/A LYS 280.A N GLU 276.A O no hydrogen 3.054 N/A LYS 280.A NZ GLU 29.A OE2 no hydrogen 2.989 N/A LEU 281.A N LEU 277.A O no hydrogen 2.888 N/A ALA 282.A N ALA 278.A O no hydrogen 2.941 N/A ASN 283.A N LYS 279.A O no hydrogen 3.364 N/A ASN 283.A ND2 ASP 76.A O no hydrogen 2.700 N/A ASN 283.A ND2 LYS 279.A O no hydrogen 3.148 N/A VAL 284.A N LYS 280.A O no hydrogen 3.007 N/A MET 285.A N LEU 281.A O no hydrogen 2.831 N/A ALA 286.A N ALA 282.A O no hydrogen 3.075 N/A SER 287.A N VAL 284.A O no hydrogen 3.033 N/A SER 287.A OG VAL 284.A O no hydrogen 2.853 N/A SER 287.A OG THR 290.A OG1 no hydrogen 3.153 N/A THR 290.A OG1 VAL 284.A O no hydrogen 2.882 N/A THR 290.A OG1 SER 287.A OG no hydrogen 3.153 N/A VAL 291.A N SER 287.A O no hydrogen 3.178 N/A GLU 292.A N ALA 288.A O no hydrogen 2.840 N/A GLN 293.A N ASP 289.A O no hydrogen 2.891 N/A GLN 293.A NE2 ASP 23.A OD2 no hydrogen 3.230 N/A ALA 294.A N THR 290.A O no hydrogen 3.033 N/A LEU 295.A N VAL 291.A O no hydrogen 3.083 N/A LEU 295.A N GLU 292.A O no hydrogen 3.263 N/A ARG 296.A N GLU 292.A O no hydrogen 3.117 N/A ARG 296.A NE GLU 292.A OE2 no hydrogen 3.152 N/A ARG 296.A NH1 ASP 321.A OD2 no hydrogen 2.800 N/A ARG 296.A NH2 ASP 321.A OD2 no hydrogen 2.868 N/A GLN 298.A N GLN 302.A OE1 no hydrogen 2.618 N/A GLN 298.A NE2 ARG 296.A O no hydrogen 3.603 N/A ALA 299.A N GLN 302.A OE1 no hydrogen 3.390 N/A TYR 303.A OH ASP 240.A OD1 no hydrogen 2.931 N/A GLN 305.A N LEU 295.A O no hydrogen 3.029 N/A GLN 305.A NE2 ASP 13.A O no hydrogen 3.087 N/A GLN 305.A NE2 ALA 294.A O no hydrogen 2.923 N/A ARG 311.A NE ALA 286.A O no hydrogen 2.893 N/A ARG 311.A NH1 GLN 79.A O no hydrogen 2.897 N/A ARG 311.A NH1 ASP 82.A OD2 no hydrogen 3.022 N/A ARG 311.A NH2 ASP 78.A O no hydrogen 2.782 N/A HIS 312.A N ASP 82.A O no hydrogen 2.937 N/A GLN 313.A N ASP 82.A OD1 no hydrogen 3.007 N/A GLN 313.A NE2 GLN 79.A OE1 no hydrogen 2.990 N/A TYR 315.A OH PRO 309.A O no hydrogen 2.892 N/A GLU 316.A N HIS 312.A O no hydrogen 3.042 N/A ALA 317.A N GLN 313.A O no hydrogen 2.947 N/A LEU 318.A N VAL 314.A O no hydrogen 3.024 N/A MET 319.A N TYR 315.A O no hydrogen 3.108 N/A TYR 322.A N LEU 318.A O no hydrogen 2.882 N/A TYR 325.A N TYR 322.A O no hydrogen 2.934 N/A TYR 325.A OH LEU 307.A O no hydrogen 2.904 N/A SER 326.A N PRO 323.A O no hydrogen 2.978 N/A GLU 327.A N ILE 324.A O no hydrogen 2.885 N/A LEU 328.A N ILE 324.A O no hydrogen 3.035 N/A ALA 329.A N TYR 325.A O no hydrogen 2.997 N/A ILE 331.A N GLU 327.A O no hydrogen 3.375 N/A VAL 332.A N LEU 328.A O no hydrogen 3.050 N/A ASN 333.A N ALA 329.A O no hydrogen 2.952 N/A ASN 333.A ND2 HIS 312.A NE2 no hydrogen 3.311 N/A ARG 338.A N PRO 259.A O no hydrogen 3.061 N/A PHE 340.A N PHE 261.A O no hydrogen 2.758 N/A ARG 341.A NE GLY 90.A O no hydrogen 2.898 N/A ARG 341.A NH2 LYS 92.A O no hydrogen 2.647 N/A VAL 346.A N GLY 343.A O no hydrogen 3.131 N/A ARG 347.A NE ASP 45.A OD1 no hydrogen 3.087 N/A ARG 347.A NH1 SER 41.A O no hydrogen 3.174 N/A ARG 347.A NH2 SER 41.A O no hydrogen 2.840 N/A ARG 347.A NH2 ASP 45.A OD1 no hydrogen 2.938 N/A TRP 349.A N GLU 345.A O no hydrogen 3.091 N/A TRP 349.A NE1 PRO 179.A O no hydrogen 2.767 N/A LEU 350.A N VAL 346.A O no hydrogen 2.911 N/A LYS 351.A N ARG 347.A O no hydrogen 3.109 N/A ASP 352.A N THR 348.A O no hydrogen 3.005 N/A ALA 353.A N TRP 349.A O no hydrogen 2.852 N/A LYS 354.A N LEU 350.A O no hydrogen 3.089 N/A GLN 355.A N ASP 352.A O no hydrogen 3.137 N/A VAL 356.A N ALA 353.A O no hydrogen 3.255 N/A LEU 357.A N ALA 353.A O no hydrogen 2.875 N/A ALA 360.A N VAL 356.A O no hydrogen 3.023 N/A LEU 361.A N LEU 357.A O no hydrogen 3.006 N/A LEU 361.A N PRO 358.A O no hydrogen 3.277 N/A GLY 362.A N PRO 358.A O no hydrogen 2.580 N/A