Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ire_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 11.A N GLU 11.A OE1 no hydrogen 2.481 N/A LEU 13.A N ASN 136.A O no hydrogen 2.823 N/A THR 14.A OG1 VAL 138.A O no hydrogen 3.436 N/A VAL 15.A N VAL 138.A O no hydrogen 2.919 N/A ASN 16.A N SER 43.A O no hydrogen 2.581 N/A THR 17.A N ALA 140.A O no hydrogen 2.768 N/A THR 17.A OG1 ALA 140.A O no hydrogen 3.548 N/A THR 17.A OG1 TYR 183.A OH no hydrogen 3.046 N/A GLY 18.A N SER 41.A O no hydrogen 3.050 N/A TYR 20.A N PHE 39.A O no hydrogen 3.232 N/A LEU 21.A N GLY 147.A O no hydrogen 3.100 N/A ILE 22.A N ASN 37.A O no hydrogen 2.603 N/A GLU 23.A N ASN 37.A O no hydrogen 2.691 N/A TYR 25.A N LYS 35.A O no hydrogen 2.976 N/A TYR 25.A OH ASN 37.A OD1.B no hydrogen 2.990 N/A ASP 28.A N THR 33.A O no hydrogen 2.833 N/A LYS 30.A NZ THR 241.A O no hydrogen 3.108 N/A ALA 31.A N ASP 28.A OD1 no hydrogen 2.876 N/A THR 33.A N ASP 28.A O no hydrogen 3.288 N/A PHE 34.A N VAL 107.A O no hydrogen 3.108 N/A LYS 35.A N TYR 25.A O no hydrogen 2.746 N/A VAL 36.A N ALA 105.A O no hydrogen 3.097 N/A ASN 37.A N GLU 23.A O no hydrogen 2.503 N/A ALA 38.A N PHE 103.A O no hydrogen 3.044 N/A PHE 39.A N TYR 20.A O no hydrogen 2.998 N/A LEU 40.A N GLU 101.A O no hydrogen 2.845 N/A SER 41.A N GLY 18.A O no hydrogen 2.879 N/A LEU 42.A N TYR 99.A O no hydrogen 2.840 N/A SER 43.A N ASN 16.A O no hydrogen 2.778 N/A SER 43.A OG VAL 97.A O no hydrogen 2.633 N/A ASP 46.A N GLY 95.A O no hydrogen 2.886 N/A ARG 48.A NH1 SER 3.A O no hydrogen 3.144 N/A ARG 48.A NH2 SER 3.A O no hydrogen 2.658 N/A LEU 49.A N ASP 46.A O no hydrogen 3.256 N/A ALA 50.A N ARG 47.A O no hydrogen 2.826 N/A PHE 51.A N PRO 93.A O no hydrogen 2.887 N/A ARG 55.A N ASP 52.A OD2 no hydrogen 3.365 N/A SER 56.A N ASP 52.A O no hydrogen 2.905 N/A SER 56.A OG ASP 52.A O no hydrogen 2.887 N/A GLY 57.A N PRO 53.A O no hydrogen 2.690 N/A LYS 61.A N VAL 91.A O no hydrogen 2.931 N/A THR 62.A OG1 ILE 89.A O no hydrogen 3.171 N/A ALA 67.A N GLU 64.A O no hydrogen 2.919 N/A ARG 74.A N ILE 128.A O no hydrogen 2.997 N/A VAL 76.A N TYR 126.A O no hydrogen 2.761 N/A ASN 77.A ND2 LEU 108.A O no hydrogen 2.853 N/A ASN 77.A ND2 HIS 124.A O no hydrogen 2.842 N/A GLU 79.A N ARG 106.A O no hydrogen 2.950 N/A ARG 82.A NH1 ILE 73.A O no hydrogen 2.840 N/A ARG 82.A NH2 GLU 101.A OE1 no hydrogen 2.918 N/A ASP 83.A N SER 104.A O no hydrogen 3.238 N/A ASP 85.A N ARG 102.A O no hydrogen 3.121 N/A VAL 87.A N LEU 100.A O no hydrogen 2.745 N/A ASN 88.A N LEU 100.A O no hydrogen 3.129 N/A ASN 88.A ND2 SER 90.A OG no hydrogen 3.323 N/A SER 90.A N GLN 98.A O no hydrogen 3.004 N/A VAL 91.A N LYS 61.A O no hydrogen 2.689 N/A SER 92.A N THR 96.A O no hydrogen 2.886 N/A SER 92.A OG ASP 94.A OD1 no hydrogen 3.329 N/A GLY 95.A N SER 92.A O no hydrogen 2.862 N/A THR 96.A OG1 ASP 94.A OD1 no hydrogen 3.221 N/A VAL 97.A N TRP 44.A O no hydrogen 2.798 N/A GLN 98.A N SER 90.A O no hydrogen 2.757 N/A TYR 99.A N LEU 42.A O no hydrogen 2.723 N/A TYR 99.A OH GLU 101.A OE1 no hydrogen 3.149 N/A LEU 100.A N ASN 88.A O no hydrogen 3.066 N/A GLU 101.A N LEU 40.A O no hydrogen 2.922 N/A ARG 102.A N ASP 85.A O no hydrogen 3.022 N/A ARG 102.A NE ASN 37.A OD1.A no hydrogen 2.839 N/A ARG 102.A NH2 ASN 37.A OD1.A no hydrogen 2.975 N/A PHE 103.A N ALA 38.A O no hydrogen 2.784 N/A SER 104.A N ASP 83.A O no hydrogen 2.882 N/A ALA 105.A N VAL 36.A O no hydrogen 3.256 N/A ARG 106.A NE THR 33.A OG1 no hydrogen 3.195 N/A VAL 107.A N PHE 34.A O no hydrogen 2.853 N/A LEU 108.A N ASN 77.A O no hydrogen 3.310 N/A LEU 111.A N GLU 32.A OE2 no hydrogen 3.027 N/A ASP 112.A N GLN 121.A OE1 no hydrogen 2.656 N/A PHE 113.A N TYR 248.A OH no hydrogen 2.790 N/A ARG 114.A N ASP 112.A OD1 no hydrogen 3.345 N/A ARG 114.A NE ASP 112.A OD1 no hydrogen 3.384 N/A ARG 114.A NE ASP 112.A OD2 no hydrogen 2.880 N/A ARG 114.A NH2 ASP 112.A OD2 no hydrogen 3.064 N/A TYR 116.A N PHE 113.A O no hydrogen 2.829 N/A TYR 116.A OH TYR 194.A OH no hydrogen 2.790 N/A PHE 118.A N ARG 115.A O no hydrogen 2.397 N/A SER 120.A OG ILE 187.A O no hydrogen 3.443 N/A GLN 121.A N ILE 187.A O no hydrogen 2.779 N/A GLN 121.A NE2 ASP 112.A O no hydrogen 2.541 N/A GLN 121.A NE2 ASP 119.A OD2 no hydrogen 2.803 N/A LEU 123.A N LEU 185.A O no hydrogen 2.741 N/A HIS 124.A N SER 109.A OG no hydrogen 3.421 N/A HIS 124.A ND1 TYR 126.A OH no hydrogen 2.483 N/A ILE 125.A N TYR 183.A O no hydrogen 2.811 N/A TYR 126.A N ASN 77.A OD1 no hydrogen 3.399 N/A LEU 127.A N LEU 181.A O no hydrogen 2.918 N/A ILE 128.A N ARG 74.A O no hydrogen 2.801 N/A VAL 129.A N SER 179.A O no hydrogen 3.278 N/A ARG 130.A NH1 LEU 173.A O no hydrogen 2.813 N/A ARG 130.A NH1 GLU 178.A OE2 no hydrogen 3.397 N/A ARG 130.A NH2 LEU 173.A O no hydrogen 3.114 N/A SER 131.A N LEU 177.A O no hydrogen 2.855 N/A SER 131.A OG LEU 177.A O no hydrogen 3.211 N/A ARG 135.A NE GLU 11.A O no hydrogen 3.120 N/A ARG 135.A NH1 PRO 5.A O no hydrogen 2.954 N/A ARG 135.A NH2 GLU 11.A O no hydrogen 3.345 N/A ARG 135.A NH2 PRO 12.A O no hydrogen 2.846 N/A ILE 137.A N SER 131.A OG no hydrogen 3.032 N/A VAL 138.A N LEU 13.A O no hydrogen 2.849 N/A LEU 139.A N SER 179.A OG no hydrogen 2.735 N/A ALA 140.A N VAL 15.A O no hydrogen 2.909 N/A ASP 142.A N THR 17.A O no hydrogen 3.165 N/A GLU 144.A N ASP 142.A OD1 no hydrogen 3.300 N/A LYS 145.A N ASP 142.A O no hydrogen 2.798 N/A LYS 145.A NZ GLN 98.A OE1 no hydrogen 3.022 N/A GLY 147.A N ILE 19.A O no hydrogen 3.113 N/A LYS 148.A NZ ASN 149.A O no hydrogen 3.253 N/A ASN 149.A N LEU 21.A O no hydrogen 2.876 N/A ASN 149.A ND2 TYR 20.A OH no hydrogen 2.869 N/A ASP 151.A N ASN 149.A OD1 no hydrogen 2.912 N/A TRP 157.A N LEU 154.A O no hydrogen 2.751 N/A ASP 158.A N SER 188.A O no hydrogen 2.953 N/A GLU 160.A N ARG 186.A O no hydrogen 2.609 N/A SER 161.A N ARG 186.A O no hydrogen 3.190 N/A THR 163.A N GLN 184.A O no hydrogen 3.164 N/A VAL 165.A N ASP 182.A O no hydrogen 2.879 N/A ALA 169.A N LYS 180.A O no hydrogen 2.965 N/A PHE 171.A N GLU 178.A O no hydrogen 3.096 N/A LEU 173.A N ARG 176.A O no hydrogen 3.190 N/A ARG 176.A N LEU 173.A O no hydrogen 3.424 N/A GLU 178.A N PHE 171.A O no hydrogen 2.866 N/A SER 179.A N VAL 129.A O no hydrogen 3.194 N/A SER 179.A OG ASN 170.A OD1 no hydrogen 3.219 N/A LYS 180.A N ALA 169.A O no hydrogen 3.271 N/A LEU 181.A N LEU 127.A O no hydrogen 2.819 N/A TYR 183.A N ILE 125.A O no hydrogen 2.744 N/A TYR 183.A OH THR 17.A OG1 no hydrogen 3.046 N/A GLN 184.A N THR 163.A O no hydrogen 2.863 N/A GLN 184.A NE2 ASP 182.A OD2 no hydrogen 2.855 N/A LEU 185.A N LEU 123.A O no hydrogen 2.839 N/A ARG 186.A N SER 161.A O no hydrogen 2.802 N/A ILE 187.A N GLN 121.A O no hydrogen 2.896 N/A SER 188.A N ASP 158.A O no hydrogen 2.948 N/A SER 188.A OG GLU 160.A OE1 no hydrogen 2.917 N/A ARG 189.A N ASP 119.A O no hydrogen 3.305 N/A ARG 189.A NH1 ASP 119.A OD1 no hydrogen 2.904 N/A ARG 189.A NH2 ASP 29.A OD2 no hydrogen 2.319 N/A GLN 190.A N GLY 156.A O no hydrogen 3.243 N/A GLN 190.A NE2 ASP 158.A OD1 no hydrogen 2.801 N/A TYR 194.A N TYR 191.A O no hydrogen 3.086 N/A TYR 194.A OH TYR 116.A OH no hydrogen 2.790 N/A ILE 195.A N PHE 192.A O no hydrogen 2.991 N/A ASN 197.A N SER 193.A O no hydrogen 3.044 N/A ILE 198.A N TYR 194.A O no hydrogen 2.842 N/A ILE 199.A N TYR 194.A O no hydrogen 2.925 N/A LEU 200.A N ILE 195.A O no hydrogen 2.911 N/A MET 202.A N ILE 198.A O no hydrogen 3.023 N/A LEU 203.A N ILE 199.A O no hydrogen 3.124 N/A LEU 203.A N LEU 200.A O no hydrogen 2.812 N/A PHE 204.A N LEU 200.A O no hydrogen 2.961 N/A ILE 205.A N PRO 201.A O no hydrogen 3.007 N/A PHE 207.A N LEU 203.A O no hydrogen 2.757 N/A ILE 208.A N PHE 204.A O no hydrogen 2.794 N/A SER 209.A OG LEU 206.A O no hydrogen 2.970 N/A TRP 210.A N PHE 207.A O no hydrogen 2.773 N/A THR 211.A N ILE 208.A O no hydrogen 3.245 N/A THR 211.A OG1 ILE 208.A O no hydrogen 2.878 N/A ALA 212.A N SER 209.A O no hydrogen 3.368 N/A PHE 213.A N TRP 210.A O no hydrogen 3.008 N/A TRP 214.A N THR 211.A O no hydrogen 3.107 N/A SER 215.A N ALA 212.A O no hydrogen 3.272 N/A SER 215.A OG ASN 221.A OD1 no hydrogen 2.992 N/A SER 217.A N SER 215.A OG no hydrogen 2.975 N/A ASN 221.A N SER 217.A O no hydrogen 2.745 N/A ASN 221.A ND2 SER 215.A O no hydrogen 3.004 N/A VAL 222.A N TYR 218.A O no hydrogen 2.815 N/A THR 223.A N GLU 219.A O no hydrogen 3.424 N/A LEU 224.A N ALA 220.A O no hydrogen 3.151 N/A VAL 225.A N ASN 221.A O no hydrogen 2.798 N/A VAL 226.A N VAL 222.A O no hydrogen 2.721 N/A SER 227.A N THR 223.A O no hydrogen 2.872 N/A SER 227.A OG THR 223.A O no hydrogen 2.666 N/A THR 228.A N LEU 224.A O no hydrogen 3.061 N/A THR 228.A OG1 LEU 224.A O no hydrogen 3.363 N/A THR 228.A OG1 VAL 225.A O no hydrogen 2.982 N/A LEU 229.A N VAL 225.A O no hydrogen 3.251 N/A ILE 230.A N VAL 226.A O no hydrogen 3.166 N/A ALA 231.A N SER 227.A O no hydrogen 3.356 N/A HIS 232.A N THR 228.A O no hydrogen 3.167 N/A HIS 232.A NE2 ILE 256.A O no hydrogen 3.072 N/A ILE 233.A N LEU 229.A O no hydrogen 3.031 N/A ILE 233.A N ILE 230.A O no hydrogen 2.824 N/A ALA 234.A N ILE 230.A O no hydrogen 3.009 N/A PHE 235.A N ALA 231.A O no hydrogen 3.026 N/A ASN 236.A N HIS 232.A O no hydrogen 2.846 N/A ILE 237.A N ILE 233.A O no hydrogen 2.815 N/A LEU 238.A N ALA 234.A O no hydrogen 2.912 N/A VAL 239.A N PHE 235.A O no hydrogen 3.119 N/A GLU 240.A N ASN 236.A O no hydrogen 3.071 N/A THR 241.A N ILE 237.A O no hydrogen 2.982 N/A THR 241.A OG1 ILE 237.A O no hydrogen 3.550 N/A THR 241.A OG1 LEU 238.A O no hydrogen 3.279 N/A THR 241.A OG1 ASN 242.A OD1 no hydrogen 3.176 N/A ASN 242.A N VAL 239.A O no hydrogen 3.316 N/A LEU 243.A N GLU 240.A O no hydrogen 3.376 N/A THR 246.A OG1 TYR 248.A O no hydrogen 2.993 N/A TYR 251.A N ARG 114.A O no hydrogen 2.666 N/A THR 252.A N TYR 116.A O no hydrogen 3.336 N/A THR 252.A OG1 TYR 116.A O no hydrogen 2.952 N/A ALA 254.A N THR 250.A O no hydrogen 2.760 N/A ILE 255.A N TYR 251.A O no hydrogen 3.037 N/A ILE 256.A N THR 252.A O no hydrogen 3.099 N/A PHE 257.A N GLY 253.A O no hydrogen 3.200 N/A MET 258.A N ALA 254.A O no hydrogen 2.680 N/A ILE 259.A N ILE 255.A O no hydrogen 2.927 N/A TYR 260.A N PHE 257.A O no hydrogen 3.140 N/A LEU 261.A N MET 258.A O no hydrogen 2.872 N/A TYR 263.A N ILE 259.A O no hydrogen 3.310 N/A TYR 263.A OH ILE 205.A O no hydrogen 2.929 N/A PHE 264.A N TYR 260.A O no hydrogen 3.135 N/A VAL 265.A N LEU 261.A O no hydrogen 2.718 N/A ALA 266.A N PHE 262.A O no hydrogen 3.200 N/A VAL 267.A N TYR 263.A O no hydrogen 3.223 N/A VAL 267.A N PHE 264.A O no hydrogen 3.124 N/A ILE 268.A N PHE 264.A O no hydrogen 3.159 N/A GLU 269.A N VAL 265.A O no hydrogen 2.912 N/A VAL 270.A N ALA 266.A O no hydrogen 2.965 N/A THR 271.A N VAL 267.A O no hydrogen 2.796 N/A THR 271.A OG1 VAL 267.A O no hydrogen 3.137 N/A VAL 272.A N ILE 268.A O no hydrogen 2.624 N/A GLN 273.A N GLU 269.A O no hydrogen 2.847 N/A TYR 275.A N THR 271.A O no hydrogen 2.888 N/A TYR 275.A N VAL 272.A O no hydrogen 2.722 N/A LEU 276.A N VAL 272.A O no hydrogen 2.898 N/A LYS 277.A N GLN 273.A O no hydrogen 3.025 N/A VAL 278.A N HIS 274.A O no hydrogen 3.269 N/A GLU 279.A N TYR 275.A O no hydrogen 3.096 N/A GLU 279.A N LEU 276.A O no hydrogen 2.575 N/A GLN 281.A N LEU 276.A O no hydrogen 3.419 N/A ARG 284.A N GLN 281.A O no hydrogen 2.718 N/A ALA 285.A N GLN 281.A O no hydrogen 3.036 N/A ALA 286.A N PRO 282.A O no hydrogen 2.655 N/A SER 287.A N ARG 284.A O no hydrogen 2.920 N/A SER 287.A OG ARG 284.A O no hydrogen 2.569 N/A ILE 288.A N ARG 284.A O no hydrogen 3.017 N/A THR 289.A N ALA 285.A O no hydrogen 3.111 N/A THR 289.A OG1 GLU 269.A OE2 no hydrogen 3.257 N/A THR 289.A OG1 ALA 285.A O no hydrogen 3.078 N/A ARG 290.A N ALA 286.A O no hydrogen 3.147 N/A ALA 291.A N SER 287.A O no hydrogen 2.867 N/A SER 292.A N ILE 288.A O no hydrogen 2.643 N/A SER 292.A OG ILE 288.A O no hydrogen 3.333 N/A ARG 293.A NE PHE 213.A O no hydrogen 2.891 N/A ARG 293.A NH2 PHE 213.A O no hydrogen 3.538 N/A ILE 294.A N ALA 291.A O no hydrogen 3.076 N/A ALA 295.A N ALA 291.A O no hydrogen 2.876 N/A PHE 296.A N SER 292.A O no hydrogen 2.935 N/A VAL 298.A N ILE 294.A O no hydrogen 3.220 N/A VAL 299.A N ALA 295.A O no hydrogen 2.712 N/A PHE 300.A N PHE 296.A O no hydrogen 3.096 N/A LEU 301.A N PRO 297.A O no hydrogen 3.219 N/A LEU 302.A N VAL 298.A O no hydrogen 2.858 N/A ALA 303.A N VAL 299.A O no hydrogen 3.168 N/A ASN 304.A N PHE 300.A O no hydrogen 2.836 N/A ILE 305.A N LEU 301.A O no hydrogen 3.183 N/A ILE 306.A N LEU 302.A O no hydrogen 2.985 N/A LEU 307.A N ALA 303.A O no hydrogen 2.568 N/A ALA 308.A N ASN 304.A O no hydrogen 2.819 N/A PHE 309.A N ILE 305.A O no hydrogen 2.973 N/A LEU 310.A N ILE 306.A O no hydrogen 3.161 N/A PHE 311.A N LEU 307.A O no hydrogen 2.994 N/A PHE 312.A N PHE 309.A O no hydrogen 3.220 N/A