Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a3r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 HIS 135.A O no hydrogen 2.397 N/A ARG 1.A NH1 HIS 141.A O no hydrogen 3.370 N/A ARG 1.A NH2 ARG 136.A O no hydrogen 2.486 N/A GLU 5.A N LEU 12.A O no hydrogen 2.870 N/A VAL 7.A N VAL 10.A O no hydrogen 2.876 N/A VAL 10.A N VAL 7.A O no hydrogen 2.795 N/A LEU 12.A N GLU 5.A O no hydrogen 2.841 N/A LYS 14.A NZ GLU 18.A OE2 no hydrogen 2.697 N/A ALA 17.A N ILE 13.A O no hydrogen 2.984 N/A GLU 18.A N LYS 14.A O no hydrogen 3.010 N/A ALA 19.A N TYR 15.A O no hydrogen 3.164 N/A LEU 20.A N ALA 17.A O no hydrogen 3.351 N/A GLY 21.A N GLU 18.A O no hydrogen 3.016 N/A LEU 23.A N ALA 19.A O no hydrogen 3.198 N/A GLN 24.A N GLY 21.A O no hydrogen 3.170 N/A SER 25.A N PRO 22.A O no hydrogen 2.779 N/A SER 25.A OG PRO 22.A O no hydrogen 2.737 N/A PHE 26.A N LEU 23.A O no hydrogen 3.221 N/A GLN 27.A NE2 SER 25.A O no hydrogen 3.651 N/A ALA 28.A N THR 109.A OG1 no hydrogen 2.716 N/A ARG 29.A N ASP 32.A OD2 no hydrogen 2.896 N/A ARG 29.A NE ASP 31.A OD1 no hydrogen 3.040 N/A ARG 29.A NH2 ASP 31.A OD1 no hydrogen 3.414 N/A ARG 29.A NH2 ASP 31.A OD2 no hydrogen 3.362 N/A ASP 32.A N ARG 29.A O no hydrogen 3.024 N/A LEU 33.A N ARG 95.A O no hydrogen 3.095 N/A LEU 34.A N LYS 116.A O no hydrogen 3.013 N/A ILE 35.A N ILE 97.A O no hydrogen 2.686 N/A ASN 36.A N VAL 118.A O no hydrogen 3.110 N/A ASN 36.A ND2 LEU 101.A O no hydrogen 3.193 N/A THR 37.A N SER 99.A O no hydrogen 3.196 N/A THR 37.A OG1 TYR 38.A O no hydrogen 3.294 N/A THR 37.A OG1 THR 43.A OG1 no hydrogen 2.610 N/A THR 37.A OG1 HIS 100.A ND1 no hydrogen 3.262 N/A TYR 38.A OH GLY 162.A O no hydrogen 2.529 N/A SER 41.A OG TYR 38.A O no hydrogen 2.948 N/A THR 43.A OG1 THR 37.A OG1 no hydrogen 2.610 N/A VAL 46.A N GLY 42.A O no hydrogen 3.086 N/A SER 47.A N THR 43.A O no hydrogen 2.910 N/A SER 47.A OG THR 43.A O no hydrogen 2.981 N/A GLN 48.A N THR 44.A O no hydrogen 3.070 N/A GLN 48.A N TRP 45.A O no hydrogen 3.257 N/A ILE 49.A N TRP 45.A O no hydrogen 3.200 N/A LEU 50.A N VAL 46.A O no hydrogen 2.972 N/A ASP 51.A N SER 47.A O no hydrogen 3.007 N/A MET 52.A N GLN 48.A O no hydrogen 3.012 N/A ILE 53.A N ILE 49.A O no hydrogen 3.056 N/A TYR 54.A N LEU 50.A O no hydrogen 3.069 N/A GLN 55.A N ASP 51.A O no hydrogen 2.888 N/A GLY 56.A N ILE 53.A O no hydrogen 3.083 N/A GLY 57.A N MET 52.A O no hydrogen 2.687 N/A ASP 58.A N GLN 55.A O no hydrogen 2.968 N/A LYS 61.A N ASP 58.A O no hydrogen 3.365 N/A LYS 61.A N ASP 58.A OD1 no hydrogen 2.524 N/A CYS 62.A N ASP 58.A O no hydrogen 3.317 N/A CYS 62.A SG ASP 51.A OD2 no hydrogen 3.779 N/A CYS 62.A SG ASP 58.A O no hydrogen 3.326 N/A ARG 64.A N LYS 61.A O no hydrogen 3.141 N/A ARG 64.A NH1 ASP 51.A OD1 no hydrogen 3.375 N/A ARG 64.A NH1 ASP 51.A OD2 no hydrogen 3.210 N/A ARG 64.A NH1 LYS 61.A O no hydrogen 2.754 N/A ARG 64.A NH2 ASP 51.A OD1 no hydrogen 2.712 N/A ILE 67.A N MET 229.A O no hydrogen 3.024 N/A TYR 68.A OH THR 234.A OG1 no hydrogen 2.760 N/A VAL 69.A N PRO 66.A O no hydrogen 2.710 N/A ARG 70.A N PRO 66.A O no hydrogen 2.978 N/A ARG 70.A NE ALA 65.A O no hydrogen 2.939 N/A ARG 70.A NH1 GLN 48.A OE1 no hydrogen 2.878 N/A ARG 70.A NH1 ASP 51.A OD2 no hydrogen 2.537 N/A ARG 70.A NH2 GLN 48.A OE1 no hydrogen 3.084 N/A ARG 70.A NH2 MET 229.A O no hydrogen 3.129 N/A VAL 71.A N ILE 67.A O no hydrogen 2.559 N/A LEU 74.A N LYS 98.A O no hydrogen 2.788 N/A GLU 75.A N GLU 75.A OE2 no hydrogen 2.813 N/A VAL 76.A N PHE 73.A O no hydrogen 3.149 N/A ASN 77.A ND2 TYR 15.A O no hydrogen 3.141 N/A GLY 84.A N VAL 76.A O no hydrogen 2.875 N/A GLU 86.A N SER 83.A OG no hydrogen 2.892 N/A THR 87.A N SER 83.A O no hydrogen 2.953 N/A THR 87.A OG1 SER 83.A O no hydrogen 3.173 N/A LEU 88.A N GLY 84.A O no hydrogen 2.977 N/A LYS 89.A N GLU 86.A O no hydrogen 2.946 N/A THR 91.A N LEU 88.A O no hydrogen 3.271 N/A THR 91.A OG1 THR 87.A O no hydrogen 2.663 N/A ARG 95.A NE ASP 32.A OD1 no hydrogen 2.883 N/A ARG 95.A NH1 LEU 88.A O no hydrogen 3.179 N/A ARG 95.A NH2 GLN 27.A O no hydrogen 3.493 N/A ARG 95.A NH2 ASP 32.A OD2 no hydrogen 2.779 N/A ILE 97.A N LEU 33.A O no hydrogen 2.960 N/A LYS 98.A N PRO 72.A O no hydrogen 2.803 N/A SER 99.A N ILE 35.A O no hydrogen 2.998 N/A SER 99.A OG GLU 75.A OE2 no hydrogen 2.574 N/A HIS 100.A N GLU 75.A OE1 no hydrogen 3.291 N/A HIS 100.A ND1 THR 37.A O no hydrogen 2.720 N/A LEU 101.A N SER 99.A OG no hydrogen 3.167 N/A LEU 105.A N PRO 102.A O no hydrogen 2.831 N/A LEU 106.A N PRO 102.A O no hydrogen 3.073 N/A LEU 106.A N LEU 103.A O no hydrogen 3.242 N/A LEU 110.A N PRO 107.A O no hydrogen 3.091 N/A LEU 111.A N GLN 108.A O no hydrogen 2.884 N/A ASP 112.A N GLN 108.A O no hydrogen 2.894 N/A GLN 113.A N THR 109.A O no hydrogen 2.958 N/A LYS 114.A N LEU 111.A O no hydrogen 2.766 N/A VAL 115.A N LEU 110.A O no hydrogen 3.227 N/A LYS 116.A NZ PHE 202.A O no hydrogen 3.385 N/A VAL 117.A N PRO 179.A O no hydrogen 3.070 N/A VAL 118.A N LEU 34.A O no hydrogen 2.866 N/A TYR 119.A N LEU 181.A O no hydrogen 2.788 N/A TYR 119.A OH HIS 167.A ND1 no hydrogen 2.660 N/A VAL 120.A N ASN 36.A O no hydrogen 3.420 N/A ALA 121.A N LEU 183.A O no hydrogen 2.982 N/A ARG 122.A NH1 LYS 40.A O no hydrogen 3.043 N/A ARG 122.A NH2 MET 252.A O no hydrogen 3.189 N/A ASN 123.A N GLU 186.A OE2 no hydrogen 2.898 N/A ASN 123.A ND2 ASP 126.A OD2 no hydrogen 2.800 N/A ASN 123.A ND2 GLU 186.A OE2 no hydrogen 3.203 N/A LYS 125.A NZ ASN 265.A OD1 no hydrogen 2.598 N/A LYS 125.A NZ ASP 269.A OD1 no hydrogen 3.058 N/A ASP 126.A N ASN 123.A OD1 no hydrogen 3.039 N/A VAL 127.A N ASN 123.A O no hydrogen 3.180 N/A ALA 128.A N PRO 124.A O no hydrogen 2.891 N/A VAL 129.A N LYS 125.A O no hydrogen 3.170 N/A SER 130.A N ASP 126.A O no hydrogen 2.858 N/A TYR 131.A N VAL 127.A O no hydrogen 2.669 N/A TYR 131.A OH SER 160.A O no hydrogen 2.942 N/A TYR 132.A N ALA 128.A O no hydrogen 2.931 N/A TYR 132.A N VAL 129.A O no hydrogen 3.068 N/A TYR 132.A OH GLY 145.A O no hydrogen 2.833 N/A HIS 133.A N VAL 129.A O no hydrogen 3.275 N/A PHE 134.A N SER 130.A O no hydrogen 3.092 N/A HIS 135.A N TYR 131.A O no hydrogen 3.022 N/A HIS 135.A ND1 TYR 131.A O no hydrogen 2.804 N/A ARG 136.A N TYR 132.A O no hydrogen 3.215 N/A MET 137.A N HIS 133.A O no hydrogen 3.071 N/A GLU 138.A N PHE 134.A O no hydrogen 2.779 N/A LYS 139.A N LEU 239.A O no hydrogen 2.950 N/A LYS 139.A NZ ARG 136.A O no hydrogen 3.510 N/A ALA 140.A N GLU 138.A OE2 no hydrogen 2.866 N/A HIS 141.A N GLU 138.A O no hydrogen 3.177 N/A HIS 141.A ND1 GLU 138.A OE2 no hydrogen 2.521 N/A TRP 147.A NE1 GLN 264.A OE1 no hydrogen 2.906 N/A SER 149.A N THR 146.A OG1 no hydrogen 3.210 N/A PHE 150.A N THR 146.A O no hydrogen 2.789 N/A LEU 151.A N TRP 147.A O no hydrogen 2.790 N/A GLU 152.A N ASP 148.A O no hydrogen 3.229 N/A GLU 152.A N SER 149.A O no hydrogen 3.127 N/A LYS 153.A N SER 149.A O no hydrogen 3.225 N/A PHE 154.A N PHE 150.A O no hydrogen 2.766 N/A MET 155.A N LEU 151.A O no hydrogen 3.109 N/A ALA 156.A N GLU 152.A O no hydrogen 3.216 N/A GLY 157.A N PHE 154.A O no hydrogen 3.245 N/A GLU 158.A N LYS 153.A O no hydrogen 2.848 N/A TYR 161.A N PRO 11.A O no hydrogen 2.610 N/A TYR 161.A OH GLU 75.A OE1 no hydrogen 2.513 N/A GLY 162.A N VAL 159.A O no hydrogen 2.753 N/A GLN 166.A N SER 163.A OG no hydrogen 3.185 N/A HIS 167.A N SER 163.A O no hydrogen 3.056 N/A HIS 167.A ND1 TYR 119.A OH no hydrogen 2.660 N/A HIS 167.A NE2 HIS 100.A O no hydrogen 2.844 N/A VAL 168.A N TRP 164.A O no hydrogen 3.095 N/A GLN 169.A N TYR 165.A O no hydrogen 3.216 N/A GLN 169.A NE2 LYS 275.A O no hydrogen 3.287 N/A GLU 170.A N GLN 166.A O no hydrogen 3.025 N/A TRP 171.A N HIS 167.A O no hydrogen 3.359 N/A TRP 172.A N VAL 168.A O no hydrogen 3.106 N/A TRP 172.A NE1 SER 280.A OG no hydrogen 2.997 N/A GLU 173.A N GLN 169.A O no hydrogen 2.898 N/A LEU 174.A N GLU 170.A O no hydrogen 2.872 N/A SER 175.A N TRP 171.A O no hydrogen 3.211 N/A SER 175.A OG TRP 172.A O no hydrogen 2.403 N/A ARG 176.A N GLU 173.A O no hydrogen 3.257 N/A THR 177.A N LEU 174.A O no hydrogen 3.133 N/A THR 177.A OG1 LEU 174.A O no hydrogen 3.563 N/A HIS 178.A N LEU 174.A O no hydrogen 3.108 N/A HIS 178.A NE2 VAL 115.A O no hydrogen 3.022 N/A LEU 181.A N VAL 117.A O no hydrogen 2.785 N/A TYR 182.A OH VAL 168.A O no hydrogen 2.875 N/A LEU 183.A N TYR 119.A O no hydrogen 2.708 N/A TYR 185.A N ALA 121.A O no hydrogen 2.788 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.522 N/A MET 188.A N PHE 184.A O no hydrogen 3.034 N/A LYS 189.A N TYR 185.A O no hydrogen 2.912 N/A LYS 189.A NZ GLY 251.A O no hydrogen 2.847 N/A GLU 190.A N GLU 186.A O no hydrogen 2.832 N/A ASN 191.A N ASP 187.A O no hydrogen 2.950 N/A LYS 193.A NZ GLU 209.A OE2 no hydrogen 2.392 N/A LYS 193.A NZ ASP 213.A OD1 no hydrogen 2.881 N/A LYS 193.A NZ ASP 213.A OD2 no hydrogen 3.341 N/A ARG 194.A NE GLU 195.A OE2 no hydrogen 2.859 N/A ARG 194.A NH1 GLU 190.A OE1 no hydrogen 3.177 N/A ARG 194.A NH2 ASP 187.A O no hydrogen 3.261 N/A ARG 194.A NH2 GLU 190.A OE1 no hydrogen 2.948 N/A GLU 195.A N ASN 191.A O no hydrogen 3.351 N/A GLU 195.A N PRO 192.A O no hydrogen 2.811 N/A ILE 196.A N PRO 192.A O no hydrogen 2.931 N/A GLN 197.A N LYS 193.A O no hydrogen 3.090 N/A ILE 199.A N GLU 195.A O no hydrogen 3.100 N/A LEU 200.A N ILE 196.A O no hydrogen 2.819 N/A GLU 201.A N GLN 197.A O no hydrogen 3.096 N/A PHE 202.A N LYS 198.A O no hydrogen 2.956 N/A VAL 203.A N ILE 199.A O no hydrogen 2.962 N/A GLY 204.A N GLU 201.A O no hydrogen 3.081 N/A ARG 205.A N LEU 200.A O no hydrogen 2.903 N/A MET 212.A N PRO 208.A O no hydrogen 2.937 N/A ASP 213.A N GLU 209.A O no hydrogen 3.153 N/A PHE 214.A N GLU 210.A O no hydrogen 3.196 N/A MET 215.A N THR 211.A O no hydrogen 3.213 N/A VAL 216.A N MET 212.A O no hydrogen 3.191 N/A GLN 217.A N ASP 213.A O no hydrogen 3.301 N/A GLN 217.A N PHE 214.A O no hydrogen 3.248 N/A HIS 218.A N PHE 214.A O no hydrogen 3.228 N/A HIS 218.A ND1 PHE 214.A O no hydrogen 2.792 N/A THR 219.A OG1 MET 215.A O no hydrogen 3.053 N/A THR 219.A OG1 VAL 216.A O no hydrogen 3.318 N/A SER 220.A N GLN 217.A O no hydrogen 3.453 N/A SER 220.A OG GLN 217.A O no hydrogen 2.894 N/A GLU 223.A N SER 220.A OG no hydrogen 3.168 N/A MET 224.A N SER 220.A O no hydrogen 2.886 N/A LYS 225.A N PHE 221.A O no hydrogen 2.850 N/A LYS 225.A N LYS 222.A O no hydrogen 3.268 N/A LYS 225.A NZ MET 248.A O no hydrogen 3.105 N/A LYS 226.A N GLU 223.A O no hydrogen 3.075 N/A ASN 227.A N GLU 223.A O no hydrogen 3.044 N/A THR 230.A N ASN 227.A O no hydrogen 3.349 N/A THR 230.A OG1 MET 224.A O no hydrogen 3.006 N/A THR 230.A OG1 ASN 227.A O no hydrogen 3.549 N/A ASN 231.A N ASN 227.A O no hydrogen 3.037 N/A ASN 231.A ND2 LYS 225.A O no hydrogen 2.913 N/A THR 233.A N ASN 231.A OD1 no hydrogen 3.013 N/A THR 233.A OG1 ASN 231.A OD1 no hydrogen 2.745 N/A THR 234.A OG1 TYR 68.A OH no hydrogen 2.760 N/A LEU 239.A N PRO 236.A O no hydrogen 3.320 N/A MET 240.A N PRO 236.A O no hydrogen 3.187 N/A ASP 241.A N MET 137.A O no hydrogen 2.868 N/A HIS 242.A NE2 TYR 232.A O no hydrogen 2.818 N/A SER 243.A N ASP 241.A OD1 no hydrogen 3.182 N/A SER 243.A OG ASP 241.A OD1 no hydrogen 2.416 N/A ILE 244.A N ASP 241.A O no hydrogen 2.976 N/A PHE 247.A N HIS 242.A ND1 no hydrogen 3.376 N/A ARG 249.A NH1 ASP 255.A OD2 no hydrogen 3.082 N/A LYS 250.A NZ ASP 255.A OD1 no hydrogen 2.893 N/A LYS 250.A NZ ASP 255.A OD2 no hydrogen 3.347 N/A GLY 254.A N ASP 126.A OD2 no hydrogen 2.730 N/A TRP 256.A NE1 SER 285.A O no hydrogen 2.844 N/A LYS 257.A N GLY 254.A O no hydrogen 3.376 N/A LYS 257.A NZ GLU 286.A OE1 no hydrogen 2.714 N/A LYS 257.A NZ GLU 286.A OE2 no hydrogen 3.269 N/A THR 258.A N ASP 255.A O no hydrogen 3.291 N/A THR 258.A OG1 ASP 255.A O no hydrogen 3.000 N/A THR 258.A OG1 ASP 255.A OD1 no hydrogen 3.481 N/A THR 259.A N TRP 256.A O no hydrogen 2.866 N/A PHE 260.A N TRP 256.A O no hydrogen 2.982 N/A THR 261.A N GLN 264.A OE1 no hydrogen 2.788 N/A GLN 264.A N THR 261.A OG1 no hydrogen 3.043 N/A GLN 264.A NE2 ASP 148.A OD1 no hydrogen 2.789 N/A ASN 265.A N THR 261.A O no hydrogen 2.878 N/A GLU 266.A N VAL 262.A O no hydrogen 3.101 N/A GLU 266.A N ALA 263.A O no hydrogen 3.037 N/A ARG 267.A N ALA 263.A O no hydrogen 3.067 N/A PHE 268.A N GLN 264.A O no hydrogen 2.938 N/A ASP 269.A N ASN 265.A O no hydrogen 3.099 N/A ALA 270.A N GLU 266.A O no hydrogen 3.237 N/A ASP 271.A N ARG 267.A O no hydrogen 3.271 N/A TYR 272.A N PHE 268.A O no hydrogen 2.918 N/A ALA 273.A N ASP 269.A O no hydrogen 2.975 N/A GLU 274.A N ALA 270.A O no hydrogen 3.198 N/A LYS 275.A N ASP 271.A O no hydrogen 3.103 N/A LYS 275.A NZ MET 155.A O no hydrogen 3.334 N/A LYS 275.A NZ ASP 271.A OD1 no hydrogen 2.547 N/A LYS 275.A NZ ASP 271.A OD2 no hydrogen 2.483 N/A MET 276.A N TYR 272.A O no hydrogen 2.860 N/A CYS 279.A N MET 276.A O no hydrogen 3.059 N/A ARG 284.A NH1 GLU 190.A OE2 no hydrogen 3.099 N/A ARG 284.A NH2 ASP 187.A OD1 no hydrogen 2.596 N/A ARG 284.A NH2 GLU 190.A OE1 no hydrogen 3.429 N/A