Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5twu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N SER 3.A OG no hydrogen 3.286 N/A TYR 7.A N MET 4.A O no hydrogen 3.177 N/A ASP 8.A N LYS 5.A O no hydrogen 3.017 N/A LEU 11.A N TYR 7.A O no hydrogen 2.957 N/A TYR 13.A N LEU 10.A O no hydrogen 2.946 N/A TYR 14.A N LEU 10.A O no hydrogen 2.867 N/A TYR 14.A OH HIS 69.A ND1 no hydrogen 3.041 N/A GLU 15.A N CYS 28.A O no hydrogen 3.028 N/A HIS 17.A N LEU 26.A O no hydrogen 2.846 N/A HIS 17.A ND1 LEU 16.A O no hydrogen 2.421 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.290 N/A ILE 20.A N VAL 24.A O no hydrogen 2.759 N/A GLY 21.A N VAL 24.A O no hydrogen 3.099 N/A LYS 23.A N ILE 40.A O no hydrogen 3.267 N/A LYS 25.A N ILE 38.A O no hydrogen 2.968 N/A LYS 25.A NZ THR 19.A OG1 no hydrogen 2.804 N/A LEU 26.A N GLU 18.A O no hydrogen 3.147 N/A ALA 27.A N VAL 36.A O no hydrogen 2.944 N/A CYS 28.A N GLU 15.A O no hydrogen 3.155 N/A CYS 28.A SG HIS 29.A O no hydrogen 3.714 N/A CYS 28.A SG GLY 33.A O no hydrogen 3.131 N/A CYS 28.A SG GLU 34.A O no hydrogen 3.923 N/A HIS 29.A N GLU 34.A O no hydrogen 2.892 N/A HIS 29.A ND1 THR 32.A OG1 no hydrogen 2.584 N/A HIS 29.A NE2 HIS 297.A NE2 no hydrogen 2.905 N/A ILE 30.A N TYR 13.A O no hydrogen 2.871 N/A THR 32.A N HIS 29.A ND1 no hydrogen 3.211 N/A THR 32.A OG1 HIS 29.A ND1 no hydrogen 2.584 N/A GLY 33.A N HIS 29.A O no hydrogen 2.583 N/A GLU 34.A N THR 32.A OG1 no hydrogen 3.426 N/A VAL 36.A N ALA 27.A O no hydrogen 2.863 N/A ALA 37.A N LEU 81.A O no hydrogen 2.880 N/A ILE 38.A N LYS 25.A O no hydrogen 2.810 N/A LYS 39.A N MET 79.A O no hydrogen 2.946 N/A LYS 39.A NZ GLU 52.A OE1 no hydrogen 3.056 N/A ILE 40.A N LYS 23.A O no hydrogen 2.707 N/A MET 41.A N ILE 77.A O no hydrogen 2.923 N/A LYS 43.A N ASN 75.A O no hydrogen 2.726 N/A LYS 43.A NZ GLU 72.A OE2 no hydrogen 3.055 N/A THR 45.A OG1 ASP 42.A OD2 no hydrogen 3.500 N/A THR 45.A OG1 ASN 44.A OD1 no hydrogen 2.804 N/A THR 51.A N PRO 47.A O no hydrogen 3.215 N/A THR 51.A OG1 PRO 47.A O no hydrogen 3.413 N/A GLU 52.A N ARG 48.A O no hydrogen 3.054 N/A ILE 53.A N ILE 49.A O no hydrogen 2.989 N/A GLU 54.A N LYS 50.A O no hydrogen 3.056 N/A ALA 55.A N THR 51.A O no hydrogen 3.119 N/A LEU 56.A N GLU 52.A O no hydrogen 2.860 N/A LYS 57.A N ILE 53.A O no hydrogen 3.019 N/A LYS 57.A NZ GLU 54.A OE1 no hydrogen 3.212 N/A ASN 58.A N ALA 55.A O no hydrogen 2.899 N/A LEU 59.A N ALA 55.A O no hydrogen 2.962 N/A ARG 60.A N TYR 117.A OH no hydrogen 3.189 N/A ARG 60.A NH1 PRO 263.A O no hydrogen 3.009 N/A ARG 60.A NH2 TYR 295.A OH no hydrogen 3.091 N/A HIS 61.A NE2 TRP 258.A O no hydrogen 2.830 N/A GLN 62.A N GLN 62.A OE1 no hydrogen 2.532 N/A GLN 62.A NE2 GLN 259.A O no hydrogen 3.285 N/A HIS 63.A N HIS 61.A ND1 no hydrogen 2.873 N/A HIS 63.A ND1 LEU 141.A O no hydrogen 3.113 N/A ILE 64.A N HIS 61.A O no hydrogen 3.034 N/A CYS 65.A N LEU 143.A O no hydrogen 3.115 N/A CYS 65.A SG GLU 82.A O no hydrogen 3.488 N/A GLN 66.A N GLU 82.A OE1 no hydrogen 3.312 N/A GLN 66.A NE2 LEU 67.A O no hydrogen 3.096 N/A TYR 68.A N VAL 80.A O no hydrogen 2.674 N/A HIS 69.A ND1 TYR 14.A OH no hydrogen 3.041 N/A VAL 70.A N TYR 295.A O no hydrogen 2.936 N/A LEU 71.A N PHE 78.A O no hydrogen 2.931 N/A THR 73.A N LYS 76.A O no hydrogen 2.678 N/A THR 73.A OG1 ASP 6.A OD1 no hydrogen 3.051 N/A LYS 76.A N THR 73.A OG1 no hydrogen 3.227 N/A ILE 77.A N MET 41.A O no hydrogen 2.990 N/A PHE 78.A N LEU 71.A O no hydrogen 2.591 N/A MET 79.A N LYS 39.A O no hydrogen 3.000 N/A VAL 80.A N HIS 69.A O no hydrogen 2.694 N/A LEU 81.A N ALA 37.A O no hydrogen 2.731 N/A GLU 82.A N GLN 66.A O no hydrogen 2.944 N/A CYS 84.A SG GLU 82.A O no hydrogen 3.948 N/A GLY 86.A N PHE 135.A O no hydrogen 2.972 N/A LEU 89.A N LEU 133.A O no hydrogen 2.911 N/A PHE 90.A N PRO 130.A O no hydrogen 2.841 N/A TYR 92.A N GLU 88.A O no hydrogen 3.279 N/A ILE 93.A N LEU 89.A O no hydrogen 2.987 N/A ILE 94.A N PHE 90.A O no hydrogen 3.130 N/A SER 95.A N ASP 91.A O no hydrogen 2.964 N/A SER 95.A OG TYR 92.A O no hydrogen 2.824 N/A GLN 96.A N ILE 93.A O no hydrogen 2.935 N/A ASP 97.A N ILE 94.A O no hydrogen 3.194 N/A ARG 98.A N GLN 96.A O no hydrogen 2.710 N/A LEU 99.A N LEU 187.A O no hydrogen 3.012 N/A SER 100.A N GLU 103.A OE1 no hydrogen 2.936 N/A SER 100.A OG GLU 102.A OE1 no hydrogen 3.568 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.716 N/A GLU 103.A N SER 100.A OG no hydrogen 2.954 N/A THR 104.A N SER 100.A O no hydrogen 2.864 N/A THR 104.A OG1 LEU 99.A O no hydrogen 3.564 N/A THR 104.A OG1 SER 100.A O no hydrogen 2.741 N/A ARG 105.A N GLU 101.A O no hydrogen 3.021 N/A ARG 105.A NE TRP 247.A O no hydrogen 2.575 N/A ARG 105.A NH2 GLU 101.A OE2 no hydrogen 2.754 N/A ARG 105.A NH2 TRP 247.A O no hydrogen 3.286 N/A VAL 106.A N GLU 102.A O no hydrogen 3.134 N/A VAL 107.A N GLU 103.A O no hydrogen 3.078 N/A PHE 108.A N THR 104.A O no hydrogen 2.606 N/A ARG 109.A N ARG 105.A O no hydrogen 2.920 N/A ARG 109.A NH1 ILE 248.A O no hydrogen 2.746 N/A ARG 109.A NH1 TYR 254.A O no hydrogen 3.072 N/A ARG 109.A NH2 TYR 254.A O no hydrogen 2.951 N/A ARG 109.A NH2 PRO 255.A O no hydrogen 3.121 N/A GLN 110.A N VAL 107.A O no hydrogen 3.047 N/A GLN 110.A NE2 VAL 106.A O no hydrogen 2.882 N/A ILE 111.A N VAL 107.A O no hydrogen 3.253 N/A VAL 112.A N PHE 108.A O no hydrogen 3.005 N/A SER 113.A N ARG 109.A O no hydrogen 2.958 N/A SER 113.A OG HIS 61.A NE2 no hydrogen 3.320 N/A SER 113.A OG GLU 257.A O no hydrogen 3.136 N/A ALA 114.A N GLN 110.A O no hydrogen 2.998 N/A VAL 115.A N ILE 111.A O no hydrogen 3.002 N/A ALA 116.A N VAL 112.A O no hydrogen 2.902 N/A TYR 117.A N SER 113.A O no hydrogen 3.041 N/A VAL 118.A N ALA 114.A O no hydrogen 2.931 N/A HIS 119.A N VAL 115.A O no hydrogen 2.857 N/A HIS 119.A NE2 ASP 176.A OD2 no hydrogen 2.968 N/A SER 120.A N ALA 116.A O no hydrogen 2.836 N/A SER 120.A OG TYR 117.A O no hydrogen 2.779 N/A GLN 121.A N TYR 117.A O no hydrogen 3.109 N/A GLN 121.A N VAL 118.A O no hydrogen 2.994 N/A GLY 122.A N HIS 119.A O no hydrogen 2.891 N/A TYR 123.A N VAL 118.A O no hydrogen 3.259 N/A ALA 124.A N ALA 150.A O no hydrogen 2.797 N/A HIS 125.A N ASP 176.A OD2 no hydrogen 2.903 N/A HIS 125.A NE2 ILE 144.A O no hydrogen 2.972 N/A ARG 126.A N ASP 176.A OD1 no hydrogen 3.108 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.071 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.733 N/A ASN 132.A N LYS 129.A O no hydrogen 2.929 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.874 N/A ASN 132.A ND2 ASP 127.A OD2 no hydrogen 3.489 N/A LEU 134.A N LYS 142.A O no hydrogen 2.853 N/A PHE 135.A N GLY 87.A O no hydrogen 2.834 N/A ASP 136.A N LYS 140.A O no hydrogen 2.841 N/A TYR 138.A N ASP 136.A OD1 no hydrogen 3.071 N/A HIS 139.A N ASP 136.A O no hydrogen 3.202 N/A LYS 140.A N ASP 136.A OD1 no hydrogen 2.620 N/A LEU 141.A N GLN 110.A OE1 no hydrogen 3.035 N/A LYS 142.A N LEU 134.A O no hydrogen 2.519 N/A LYS 142.A NZ GLN 62.A O no hydrogen 2.944 N/A LYS 142.A NZ GLU 82.A OE1 no hydrogen 3.236 N/A LYS 142.A NZ GLU 82.A OE2 no hydrogen 2.752 N/A LEU 143.A N HIS 63.A O no hydrogen 2.690 N/A ILE 144.A N ASN 132.A O no hydrogen 2.877 N/A PHE 146.A N GLU 52.A OE2 no hydrogen 3.285 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 3.425 N/A CYS 149.A N PHE 146.A O no hydrogen 3.403 N/A CYS 149.A SG PHE 146.A O no hydrogen 3.452 N/A ALA 150.A N ALA 124.A O no hydrogen 2.881 N/A GLY 154.A N LYS 151.A O no hydrogen 2.925 N/A TYR 162.A N SER 159.A O no hydrogen 3.178 N/A ALA 163.A N LEU 160.A O no hydrogen 2.926 N/A LEU 167.A N ALA 164.A O no hydrogen 2.954 N/A ILE 168.A N PRO 165.A O no hydrogen 3.153 N/A GLN 169.A N GLU 166.A O no hydrogen 3.133 N/A GLN 169.A NE2 PRO 165.A O no hydrogen 3.312 N/A GLY 170.A N GLU 166.A O no hydrogen 3.088 N/A ASP 176.A N SER 173.A O no hydrogen 3.060 N/A TRP 178.A N GLU 174.A O no hydrogen 3.201 N/A SER 179.A N ALA 175.A O no hydrogen 3.187 N/A SER 179.A OG TYR 162.A O no hydrogen 2.675 N/A SER 179.A OG ALA 175.A O no hydrogen 3.353 N/A MET 180.A N ASP 176.A O no hydrogen 2.774 N/A GLY 181.A N VAL 177.A O no hydrogen 2.961 N/A ILE 182.A N TRP 178.A O no hydrogen 3.022 N/A LEU 183.A N SER 179.A O no hydrogen 2.927 N/A LEU 184.A N MET 180.A O no hydrogen 2.996 N/A TYR 185.A N GLY 181.A O no hydrogen 3.093 N/A TYR 185.A OH ASP 212.A O no hydrogen 2.806 N/A VAL 186.A N ILE 182.A O no hydrogen 2.961 N/A LEU 187.A N LEU 183.A O no hydrogen 2.846 N/A MET 188.A N LEU 184.A O no hydrogen 3.143 N/A CYS 189.A SG TYR 185.A O no hydrogen 3.284 N/A GLY 190.A N VAL 186.A O no hydrogen 2.846 N/A ASP 196.A N ASP 195.A OD1 no hydrogen 2.950 N/A ASN 198.A N ASP 196.A OD1 no hydrogen 3.504 N/A ALA 201.A N ASN 198.A OD1 no hydrogen 3.217 N/A LEU 202.A N ASN 198.A O no hydrogen 3.050 N/A TYR 203.A N VAL 199.A O no hydrogen 3.029 N/A LYS 204.A N MET 200.A O no hydrogen 3.306 N/A LYS 205.A N ALA 201.A O no hydrogen 2.862 N/A LYS 205.A NZ ASP 195.A O no hydrogen 3.115 N/A LYS 205.A NZ ASP 196.A OD2 no hydrogen 3.480 N/A ILE 206.A N LEU 202.A O no hydrogen 3.167 N/A MET 207.A N TYR 203.A O no hydrogen 3.054 N/A ARG 208.A N LYS 204.A O no hydrogen 2.929 N/A GLY 209.A N LYS 205.A O no hydrogen 2.908 N/A TRP 216.A NE1 MET 188.A O no hydrogen 2.836 N/A LEU 217.A N PRO 214.A O no hydrogen 3.004 N/A SER 218.A OG GLU 101.A OE1 no hydrogen 2.655 N/A SER 218.A OG SER 221.A OG no hydrogen 3.210 N/A SER 221.A N SER 218.A OG no hydrogen 3.164 N/A SER 221.A OG GLU 101.A OE1 no hydrogen 3.247 N/A SER 221.A OG SER 218.A OG no hydrogen 3.210 N/A ILE 222.A N SER 218.A O no hydrogen 2.855 N/A LEU 223.A N PRO 219.A O no hydrogen 2.830 N/A LEU 224.A N SER 220.A O no hydrogen 2.991 N/A LEU 225.A N SER 221.A O no hydrogen 2.953 N/A GLN 226.A N ILE 222.A O no hydrogen 2.985 N/A GLN 227.A N LEU 223.A O no hydrogen 3.232 N/A MET 228.A N LEU 224.A O no hydrogen 3.058 N/A MET 228.A N LEU 225.A O no hydrogen 3.226 N/A LEU 229.A N LEU 225.A O no hydrogen 2.858 N/A GLN 230.A NE2 GLN 226.A O no hydrogen 2.963 N/A LYS 234.A N ASP 232.A OD1 no hydrogen 3.209 N/A LYS 234.A NZ GLU 174.A OE2 no hydrogen 3.512 N/A LYS 235.A N ASP 232.A O no hydrogen 3.137 N/A LYS 235.A NZ ASP 232.A OD2 no hydrogen 3.001 N/A ARG 236.A N PRO 233.A O no hydrogen 3.346 N/A ARG 236.A NE GLN 230.A O no hydrogen 2.832 N/A ARG 236.A NH1 GLU 166.A OE1 no hydrogen 3.111 N/A ARG 236.A NH1 GLU 166.A OE2 no hydrogen 2.714 N/A ARG 236.A NH1 GLU 174.A O no hydrogen 3.077 N/A ARG 236.A NH2 GLU 166.A OE2 no hydrogen 2.632 N/A ARG 236.A NH2 GLN 230.A O no hydrogen 2.828 N/A ILE 237.A N GLN 227.A O no hydrogen 2.816 N/A ASN 241.A N SER 238.A OG no hydrogen 3.080 N/A LEU 242.A N SER 238.A O no hydrogen 3.066 N/A LEU 242.A N MET 239.A O no hydrogen 3.188 N/A LEU 243.A N MET 239.A O no hydrogen 3.102 N/A HIS 245.A N LEU 242.A O no hydrogen 3.273 N/A HIS 245.A NE2 GLN 227.A OE1 no hydrogen 2.487 N/A TRP 247.A N HIS 245.A ND1 no hydrogen 3.035 N/A TRP 247.A NE1 SER 221.A OG no hydrogen 2.919 N/A MET 249.A N HIS 245.A O no hydrogen 3.050 N/A MET 249.A N PRO 246.A O no hydrogen 3.180 N/A GLN 250.A N PRO 246.A O no hydrogen 2.876 N/A GLN 250.A NE2 ASP 251.A OD1 no hydrogen 2.924 N/A TYR 252.A N MET 249.A O no hydrogen 3.093 N/A ASN 253.A N MET 249.A O no hydrogen 2.902 N/A VAL 256.A N LEU 243.A O no hydrogen 2.847 N/A GLN 259.A N GLN 259.A OE1 no hydrogen 2.950 N/A SER 260.A OG ARG 60.A O no hydrogen 2.652 N/A SER 260.A OG ASN 262.A O no hydrogen 2.993 N/A LYS 261.A N GLN 62.A OE1 no hydrogen 3.018 N/A ASN 262.A N SER 260.A OG no hydrogen 2.997 N/A ASP 268.A N TYR 302.A OH no hydrogen 2.522 N/A CYS 271.A N ASP 268.A OD1 no hydrogen 3.227 N/A CYS 271.A SG ASP 268.A OD1 no hydrogen 3.602 N/A VAL 272.A N ASP 268.A O no hydrogen 3.028 N/A THR 273.A N ASP 269.A O no hydrogen 2.840 N/A THR 273.A OG1 ASP 269.A O no hydrogen 2.726 N/A GLU 274.A N ASP 270.A O no hydrogen 2.942 N/A LEU 275.A N CYS 271.A O no hydrogen 2.889 N/A SER 276.A N VAL 272.A O no hydrogen 2.761 N/A SER 276.A OG VAL 272.A O no hydrogen 3.165 N/A VAL 277.A N THR 273.A O no hydrogen 3.002 N/A HIS 278.A N GLU 274.A O no hydrogen 3.179 N/A HIS 278.A ND1 HIS 279.A ND1 no hydrogen 3.319 N/A HIS 279.A N LEU 275.A O no hydrogen 2.843 N/A HIS 279.A ND1 LEU 275.A O no hydrogen 3.206 N/A ASN 281.A N SER 276.A O no hydrogen 3.197 N/A ARG 283.A NH1 ASP 269.A O no hydrogen 3.277 N/A ARG 283.A NH2 THR 273.A OG1 no hydrogen 2.264 N/A THR 285.A N ASN 282.A OD1 no hydrogen 3.423 N/A THR 285.A OG1 ASN 282.A OD1 no hydrogen 3.190 N/A MET 286.A N ASN 282.A O no hydrogen 3.033 N/A GLU 287.A N ARG 283.A O no hydrogen 2.939 N/A ASP 288.A N GLN 284.A O no hydrogen 3.101 N/A LEU 289.A N THR 285.A O no hydrogen 3.349 N/A ILE 290.A N MET 286.A O no hydrogen 3.244 N/A SER 291.A N GLU 287.A O no hydrogen 3.180 N/A SER 291.A OG GLU 287.A O no hydrogen 2.760 N/A LEU 292.A N LEU 289.A O no hydrogen 3.399 N/A TRP 293.A N ILE 290.A O no hydrogen 3.306 N/A TRP 293.A NE1 PHE 264.A O no hydrogen 3.109 N/A TYR 295.A N THR 299.A OG1 no hydrogen 2.950 N/A TYR 295.A OH LYS 57.A O no hydrogen 2.738 N/A THR 299.A N ASP 296.A OD1 no hydrogen 3.368 N/A THR 299.A OG1 ASP 296.A OD1 no hydrogen 3.456 N/A ALA 300.A N ASP 296.A O no hydrogen 3.112 N/A THR 301.A N HIS 297.A O no hydrogen 2.777 N/A THR 301.A OG1 HIS 29.A NE2 no hydrogen 3.194 N/A THR 301.A OG1 HIS 297.A O no hydrogen 2.891 N/A TYR 302.A N LEU 298.A O no hydrogen 2.907 N/A LEU 303.A N THR 299.A O no hydrogen 3.056 N/A LEU 304.A N ALA 300.A O no hydrogen 2.932 N/A LEU 305.A N THR 301.A O no hydrogen 2.936 N/A LEU 306.A N TYR 302.A O no hydrogen 2.857 N/A ALA 307.A N LEU 303.A O no hydrogen 3.040 N/A LYS 308.A N LEU 304.A O no hydrogen 2.995 N/A LYS 308.A NZ PRO 314.A O no hydrogen 2.579 N/A LYS 309.A N LEU 305.A O no hydrogen 2.996 N/A LYS 309.A NZ ASP 268.A OD1 no hydrogen 3.451 N/A LYS 309.A NZ ASP 268.A OD2 no hydrogen 3.013 N/A LYS 309.A NZ ASP 270.A OD2 no hydrogen 3.200 N/A ALA 310.A N LEU 306.A O no hydrogen 3.082 N/A ARG 311.A N ALA 307.A O no hydrogen 3.096 N/A ARG 311.A NH2 GLU 34.A OE2 no hydrogen 2.934 N/A GLY 312.A N LYS 309.A O no hydrogen 2.676 N/A LYS 313.A N LYS 308.A O no hydrogen 3.125 N/A ARG 316.A N PRO 314.A O no hydrogen 2.964 N/A ARG 316.A NH1 VAL 315.A O no hydrogen 3.131 N/A LEU 317.A N GLU 274.A OE2 no hydrogen 3.173 N/A ARG 318.A N LEU 31.A O no hydrogen 3.022 N/A