Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8r4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A N ILE 3.A O no hydrogen 3.297 N/A TYR 6.A OH GLN 70.A OE1 no hydrogen 2.704 N/A GLU 7.A N THR 24.A O no hydrogen 2.900 N/A ILE 8.A N ALA 1.A O no hydrogen 2.931 N/A ASP 9.A N ARG 22.A O no hydrogen 2.981 N/A LYS 14.A NZ LYS 14.A O no hydrogen 3.536 N/A GLY 15.A N ALA 18.A O no hydrogen 3.146 N/A PHE 17.A N ASN 16.A OD1 no hydrogen 2.944 N/A VAL 19.A N ILE 36.A O no hydrogen 3.019 N/A VAL 20.A N GLY 13.A O no hydrogen 2.803 N/A LYS 21.A N ILE 34.A O no hydrogen 3.062 N/A ARG 22.A N ARG 10.A O no hydrogen 2.836 N/A ARG 22.A NE ALA 23.A O no hydrogen 3.278 N/A ALA 23.A N VAL 32.A O no hydrogen 3.051 N/A THR 24.A N GLU 7.A O no hydrogen 3.060 N/A THR 24.A OG1 ASP 9.A OD2 no hydrogen 3.181 N/A HIS 25.A N ALA 30.A O no hydrogen 2.894 N/A HIS 25.A ND1 TYR 5.A O no hydrogen 3.081 N/A LEU 26.A N TYR 5.A O no hydrogen 2.850 N/A VAL 27.A N HIS 25.A ND1 no hydrogen 3.423 N/A LYS 29.A N HIS 25.A O no hydrogen 2.912 N/A LYS 29.A NZ LEU 26.A O no hydrogen 2.782 N/A VAL 32.A N ALA 23.A O no hydrogen 2.862 N/A ALA 33.A N THR 82.A O no hydrogen 2.965 N/A ILE 34.A N LYS 21.A O no hydrogen 2.802 N/A LYS 35.A N LEU 80.A O no hydrogen 3.117 N/A ILE 36.A N VAL 19.A O no hydrogen 2.877 N/A ILE 37.A N ILE 78.A O no hydrogen 2.881 N/A LYS 39.A N ARG 76.A O no hydrogen 2.887 N/A LYS 39.A NZ GLU 73.A OE1 no hydrogen 3.252 N/A LYS 39.A NZ GLU 75.A O no hydrogen 3.290 N/A THR 40.A N ASP 38.A OD1 no hydrogen 3.124 N/A THR 40.A OG1 ASP 38.A OD1 no hydrogen 2.708 N/A THR 40.A OG1 ASP 38.A OD2 no hydrogen 3.438 N/A GLN 41.A N ASP 38.A O no hydrogen 3.180 N/A LEU 47.A N ASP 43.A O no hydrogen 3.147 N/A LYS 48.A N GLU 44.A O no hydrogen 3.186 N/A LYS 49.A N GLU 45.A O no hydrogen 3.085 N/A ILE 50.A N ASN 46.A O no hydrogen 3.227 N/A ILE 50.A N LEU 47.A O no hydrogen 3.128 N/A PHE 51.A N LEU 47.A O no hydrogen 3.083 N/A ARG 52.A N LYS 48.A O no hydrogen 3.052 N/A GLU 53.A N LYS 49.A O no hydrogen 3.152 N/A VAL 54.A N ILE 50.A O no hydrogen 3.255 N/A GLN 55.A N PHE 51.A O no hydrogen 3.365 N/A GLN 55.A NE2 PHE 51.A O no hydrogen 3.476 N/A ILE 56.A N ARG 52.A O no hydrogen 3.086 N/A MET 57.A N GLU 53.A O no hydrogen 2.856 N/A LYS 58.A N VAL 54.A O no hydrogen 2.935 N/A MET 59.A N ILE 56.A O no hydrogen 3.196 N/A LEU 60.A N MET 57.A O no hydrogen 3.247 N/A HIS 64.A N HIS 62.A ND1 no hydrogen 3.074 N/A HIS 64.A ND1 ILE 142.A O no hydrogen 3.092 N/A ILE 65.A N HIS 62.A O no hydrogen 3.245 N/A ILE 66.A N ILE 144.A O no hydrogen 2.926 N/A ARG 67.A N GLU 83.A OE1 no hydrogen 3.037 N/A ARG 67.A NH1 MET 57.A O no hydrogen 3.042 N/A TYR 69.A N VAL 81.A O no hydrogen 2.843 N/A TYR 69.A OH ASP 317.A OD1 no hydrogen 2.594 N/A GLN 70.A N VAL 81.A O no hydrogen 3.221 N/A VAL 71.A N TYR 305.A O no hydrogen 3.130 N/A MET 72.A N TYR 79.A O no hydrogen 2.988 N/A THR 74.A N MET 77.A O no hydrogen 2.846 N/A THR 74.A OG1 MET 77.A O no hydrogen 3.424 N/A MET 77.A N THR 74.A OG1 no hydrogen 2.987 N/A ILE 78.A N ILE 37.A O no hydrogen 2.945 N/A TYR 79.A N MET 72.A O no hydrogen 2.865 N/A LEU 80.A N LYS 35.A O no hydrogen 2.884 N/A VAL 81.A N GLN 70.A O no hydrogen 2.916 N/A THR 82.A N ALA 33.A O no hydrogen 2.887 N/A THR 82.A OG1 ALA 33.A O no hydrogen 3.428 N/A GLU 83.A N ARG 67.A O no hydrogen 2.891 N/A GLY 87.A N LEU 136.A O no hydrogen 2.816 N/A ILE 90.A N LEU 134.A O no hydrogen 2.856 N/A PHE 91.A N ALA 131.A O no hydrogen 3.210 N/A HIS 93.A N ILE 90.A O no hydrogen 3.235 N/A LEU 94.A N ILE 90.A O no hydrogen 3.066 N/A VAL 95.A N PHE 91.A O no hydrogen 3.000 N/A ALA 96.A N ASP 92.A O no hydrogen 3.329 N/A HIS 97.A N HIS 93.A O no hydrogen 2.822 N/A GLY 98.A N LEU 94.A O no hydrogen 2.849 N/A MET 100.A N LEU 195.A O no hydrogen 2.891 N/A ALA 105.A N ALA 101.A O no hydrogen 2.845 N/A ARG 106.A N GLU 102.A O no hydrogen 3.036 N/A ARG 106.A NH1 TRP 255.A O no hydrogen 3.013 N/A ARG 107.A N LYS 103.A O no hydrogen 3.339 N/A ARG 107.A NH2 LEU 140.A O no hydrogen 2.952 N/A LYS 108.A N GLU 104.A O no hydrogen 3.077 N/A LYS 108.A NZ GLU 104.A O no hydrogen 3.489 N/A PHE 109.A N ALA 105.A O no hydrogen 2.884 N/A LYS 110.A N ARG 106.A O no hydrogen 3.066 N/A LYS 110.A NZ ASP 262.A OD2 no hydrogen 3.158 N/A ILE 112.A N LYS 108.A O no hydrogen 3.240 N/A ILE 112.A N PHE 109.A O no hydrogen 3.026 N/A VAL 113.A N PHE 109.A O no hydrogen 2.900 N/A THR 114.A N LYS 110.A O no hydrogen 2.948 N/A ALA 115.A N ILE 112.A O no hydrogen 2.925 N/A VAL 116.A N ILE 112.A O no hydrogen 2.935 N/A TYR 117.A N VAL 113.A O no hydrogen 2.874 N/A PHE 118.A N THR 114.A O no hydrogen 3.339 N/A CYS 119.A N ALA 115.A O no hydrogen 3.058 N/A CYS 119.A SG ALA 115.A O no hydrogen 3.326 N/A HIS 120.A N VAL 116.A O no hydrogen 3.103 N/A HIS 120.A NE2 ASP 184.A OD2 no hydrogen 2.579 N/A SER 121.A N TYR 117.A O no hydrogen 3.042 N/A SER 121.A OG TYR 117.A O no hydrogen 2.419 N/A SER 121.A OG SER 272.A O no hydrogen 3.310 N/A ARG 122.A N PHE 118.A O no hydrogen 3.454 N/A ARG 122.A NE PHE 118.A O no hydrogen 3.413 N/A ASN 123.A N HIS 120.A O no hydrogen 3.169 N/A ASN 123.A ND2 HIS 120.A O no hydrogen 3.302 N/A ILE 124.A N CYS 119.A O no hydrogen 2.897 N/A VAL 125.A N ASN 151.A O no hydrogen 2.990 N/A HIS 126.A N ASP 184.A OD2 no hydrogen 3.384 N/A HIS 126.A NE2 ALA 145.A O no hydrogen 2.839 N/A ARG 127.A N ASP 184.A OD1 no hydrogen 3.199 N/A ARG 127.A NE PHE 149.A O no hydrogen 3.095 N/A ARG 127.A NH2 PHE 149.A O no hydrogen 3.155 N/A GLU 132.A N GLU 132.A OE2 no hydrogen 2.815 N/A ASN 133.A N LYS 130.A O no hydrogen 3.241 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.764 N/A LEU 135.A N LYS 143.A O no hydrogen 2.971 N/A LEU 136.A N GLY 88.A O no hydrogen 2.846 N/A ASP 137.A N ASN 141.A O no hydrogen 2.970 N/A ASN 139.A N ASP 137.A OD1 no hydrogen 2.811 N/A LEU 140.A N ASP 137.A O no hydrogen 2.901 N/A ASN 141.A N ASP 137.A OD1 no hydrogen 3.180 N/A ILE 142.A N GLN 111.A OE1 no hydrogen 2.834 N/A LYS 143.A N LEU 135.A O no hydrogen 2.773 N/A LYS 143.A NZ PRO 63.A O no hydrogen 2.763 N/A LYS 143.A NZ GLU 83.A OE1 no hydrogen 3.508 N/A LYS 143.A NZ GLU 83.A OE2 no hydrogen 3.093 N/A ILE 144.A N HIS 64.A O no hydrogen 2.998 N/A ALA 145.A N ASN 133.A O no hydrogen 3.160 N/A SER 150.A OG PHE 147.A O no hydrogen 2.922 N/A ASN 151.A N VAL 125.A O no hydrogen 3.209 N/A PHE 153.A N ASN 123.A O no hydrogen 3.080 N/A THR 154.A N GLN 157.A OE1 no hydrogen 3.070 N/A GLN 157.A N THR 154.A O no hydrogen 2.985 N/A LEU 159.A N TYR 178.A O no hydrogen 2.846 N/A TRP 161.A NE1 LYS 176.A O no hydrogen 2.769 N/A CYS 162.A SG PHE 149.A O no hydrogen 3.950 N/A SER 164.A N ASP 128.A OD1 no hydrogen 3.300 N/A TYR 167.A N SER 164.A O no hydrogen 3.151 N/A ALA 168.A N PRO 165.A O no hydrogen 3.145 N/A LEU 172.A N ALA 169.A O no hydrogen 3.311 N/A GLU 174.A N PRO 170.A O no hydrogen 3.043 N/A LYS 176.A N GLU 171.A O no hydrogen 2.931 N/A LYS 176.A NZ GLU 174.A OE1 no hydrogen 3.404 N/A LYS 176.A NZ GLU 174.A OE2 no hydrogen 3.383 N/A TYR 178.A N LEU 159.A O no hydrogen 3.192 N/A LYS 182.A NZ ASN 242.A OD1 no hydrogen 3.123 N/A VAL 183.A N GLY 180.A O no hydrogen 3.183 N/A ASP 184.A N PRO 181.A O no hydrogen 3.140 N/A ILE 185.A N PRO 181.A O no hydrogen 2.958 N/A TRP 186.A N LYS 182.A O no hydrogen 3.022 N/A SER 187.A OG TYR 167.A O no hydrogen 3.171 N/A SER 187.A OG VAL 183.A O no hydrogen 2.946 N/A LEU 188.A N ASP 184.A O no hydrogen 2.793 N/A GLY 189.A N ILE 185.A O no hydrogen 3.087 N/A GLY 189.A N TRP 186.A O no hydrogen 2.998 N/A VAL 190.A N TRP 186.A O no hydrogen 3.103 N/A VAL 191.A N SER 187.A O no hydrogen 2.948 N/A LEU 192.A N LEU 188.A O no hydrogen 2.930 N/A TYR 193.A N GLY 189.A O no hydrogen 3.297 N/A TYR 193.A OH ARG 220.A O no hydrogen 2.958 N/A VAL 194.A N VAL 190.A O no hydrogen 2.993 N/A LEU 195.A N VAL 191.A O no hydrogen 2.998 N/A VAL 196.A N LEU 192.A O no hydrogen 3.199 N/A CYS 197.A N TYR 193.A O no hydrogen 2.867 N/A CYS 197.A SG TYR 193.A O no hydrogen 3.341 N/A GLY 198.A N VAL 194.A O no hydrogen 2.906 N/A GLY 204.A N ASP 203.A OD1 no hydrogen 2.837 N/A SER 205.A OG ASN 209.A OD1 no hydrogen 3.273 N/A THR 206.A OG1 ASN 209.A OD1 no hydrogen 2.593 N/A LEU 210.A N THR 206.A O no hydrogen 2.905 N/A ARG 211.A N LEU 207.A O no hydrogen 2.814 N/A ARG 211.A NH2 PHE 173.A O no hydrogen 2.839 N/A ALA 212.A N GLN 208.A O no hydrogen 3.141 N/A ARG 213.A N ASN 209.A O no hydrogen 3.231 N/A ARG 213.A NH1 LYS 218.A O no hydrogen 2.854 N/A ARG 213.A NH2 LYS 218.A O no hydrogen 2.872 N/A VAL 214.A N LEU 210.A O no hydrogen 2.988 N/A LEU 215.A N ARG 211.A O no hydrogen 3.074 N/A SER 216.A N ARG 213.A O no hydrogen 3.174 N/A SER 216.A OG ARG 213.A O no hydrogen 2.342 N/A GLY 217.A N VAL 214.A O no hydrogen 3.299 N/A LYS 218.A N SER 216.A OG no hydrogen 3.365 N/A LYS 218.A NZ GLY 217.A O no hydrogen 2.948 N/A MET 225.A N PRO 222.A O no hydrogen 3.307 N/A SER 226.A N GLU 102.A OE2 no hydrogen 2.936 N/A SER 226.A OG GLU 102.A OE1 no hydrogen 2.631 N/A THR 227.A OG1 GLU 228.A OE1 no hydrogen 3.288 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.900 N/A CYS 229.A N SER 226.A OG no hydrogen 3.163 N/A GLU 230.A N SER 226.A O no hydrogen 2.910 N/A HIS 231.A N THR 227.A O no hydrogen 2.915 N/A LEU 232.A N GLU 228.A O no hydrogen 3.034 N/A ILE 233.A N CYS 229.A O no hydrogen 2.969 N/A ARG 234.A N GLU 230.A O no hydrogen 2.935 N/A HIS 235.A N HIS 231.A O no hydrogen 3.039 N/A HIS 235.A N LEU 232.A O no hydrogen 3.102 N/A HIS 235.A ND1 HIS 231.A O no hydrogen 2.943 N/A MET 236.A N ILE 233.A O no hydrogen 3.083 N/A LEU 237.A N ILE 233.A O no hydrogen 2.962 N/A LYS 243.A N ASP 240.A O no hydrogen 3.115 N/A ARG 244.A N PRO 241.A O no hydrogen 3.171 N/A ARG 244.A NE VAL 238.A O no hydrogen 2.804 N/A ARG 244.A NH1 GLU 171.A OE1 no hydrogen 3.270 N/A ARG 244.A NH1 LYS 182.A O no hydrogen 2.941 N/A ARG 244.A NH2 GLU 171.A OE2 no hydrogen 2.507 N/A ARG 244.A NH2 VAL 238.A O no hydrogen 2.916 N/A LEU 245.A N HIS 235.A O no hydrogen 3.128 N/A SER 246.A N GLN 249.A OE1 no hydrogen 2.908 N/A SER 246.A OG GLN 249.A OE1 no hydrogen 3.361 N/A GLN 249.A N SER 246.A OG no hydrogen 3.253 N/A ILE 250.A N SER 246.A O no hydrogen 3.088 N/A CYS 251.A SG MET 247.A O no hydrogen 2.740 N/A LYS 252.A N GLU 248.A O no hydrogen 3.197 N/A HIS 253.A N ILE 250.A O no hydrogen 3.371 N/A TRP 255.A N HIS 253.A ND1 no hydrogen 3.023 N/A TRP 255.A NE1 GLU 102.A OE1 no hydrogen 2.882 N/A MET 256.A N HIS 253.A O no hydrogen 2.961 N/A LYS 257.A N HIS 253.A O no hydrogen 3.409 N/A LYS 257.A NZ LYS 252.A O no hydrogen 3.056 N/A LEU 258.A N TRP 255.A O no hydrogen 3.322 N/A PHE 265.A N ASP 262.A OD1 no hydrogen 3.463 N/A ARG 267.A N PRO 263.A O no hydrogen 3.072 N/A LEU 268.A N ASN 264.A O no hydrogen 3.010 N/A ILE 269.A N PHE 265.A O no hydrogen 3.009 N/A ALA 270.A N ASP 266.A O no hydrogen 3.085 N/A GLU 271.A N ARG 267.A O no hydrogen 3.109 N/A SER 272.A N ILE 269.A O no hydrogen 3.398 N/A GLN 273.A N ALA 270.A O no hydrogen 3.293 N/A GLN 273.A NE2 TYR 117.A OH no hydrogen 2.834 N/A GLN 273.A NE2 GLU 248.A OE2 no hydrogen 2.689 N/A GLN 274.A NE2 LEU 275.A O no hydrogen 3.156 N/A LEU 275.A N GLU 271.A O no hydrogen 2.897 N/A ASN 279.A N TYR 312.A OH no hydrogen 2.977 N/A VAL 282.A N ASN 279.A O no hydrogen 2.911 N/A LEU 283.A N ASN 279.A O no hydrogen 3.141 N/A LEU 284.A N GLU 280.A O no hydrogen 3.116 N/A ALA 285.A N ASP 281.A O no hydrogen 3.372 N/A MET 286.A N VAL 282.A O no hydrogen 2.982 N/A GLU 287.A N LEU 283.A O no hydrogen 3.110 N/A ASP 288.A N LEU 284.A O no hydrogen 2.905 N/A MET 289.A N ALA 285.A O no hydrogen 3.235 N/A GLY 290.A N MET 286.A O no hydrogen 2.935 N/A LEU 291.A N MET 286.A O no hydrogen 2.897 N/A GLN 295.A N ASP 292.A OD2 no hydrogen 3.216 N/A THR 296.A N ASP 292.A O no hydrogen 3.125 N/A THR 296.A OG1 ASP 292.A O no hydrogen 2.729 N/A LEU 297.A N LYS 293.A O no hydrogen 3.054 N/A GLN 298.A N GLU 294.A O no hydrogen 3.007 N/A SER 299.A N GLN 295.A O no hydrogen 3.139 N/A SER 299.A OG GLN 295.A O no hydrogen 2.778 N/A SER 299.A OG THR 296.A O no hydrogen 2.935 N/A LEU 300.A N THR 296.A O no hydrogen 3.250 N/A ARG 301.A N LEU 297.A O no hydrogen 3.116 N/A SER 302.A N GLN 298.A O no hydrogen 3.044 N/A SER 302.A OG GLN 298.A O no hydrogen 3.113 N/A ALA 304.A N SER 299.A O no hydrogen 3.074 N/A SER 309.A N ASP 306.A OD1 no hydrogen 2.947 N/A SER 309.A OG SER 299.A O no hydrogen 3.553 N/A ALA 310.A N ASP 306.A O no hydrogen 2.887 N/A ILE 311.A N HIS 307.A O no hydrogen 3.059 N/A TYR 312.A N TYR 308.A O no hydrogen 3.334 N/A SER 313.A N SER 309.A O no hydrogen 3.247 N/A SER 313.A OG SER 309.A O no hydrogen 3.041 N/A LEU 314.A N ALA 310.A O no hydrogen 2.870 N/A LEU 315.A N ILE 311.A O no hydrogen 3.128 N/A CYS 316.A N TYR 312.A O no hydrogen 2.932 N/A CYS 316.A N SER 313.A O no hydrogen 3.008 N/A CYS 316.A SG TYR 312.A O no hydrogen 3.090 N/A ASP 317.A N SER 313.A O no hydrogen 3.054 N/A