Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hxb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ALA 1.A O no hydrogen 2.831 N/A LEU 6.A N GLU 2.A O no hydrogen 2.688 N/A GLU 7.A N ALA 3.A O no hydrogen 2.910 N/A ARG 8.A N LYS 4.A O no hydrogen 3.229 N/A GLU 9.A N ARG 5.A O no hydrogen 2.792 N/A GLN 10.A N LEU 6.A O no hydrogen 3.005 N/A GLN 10.A N GLU 7.A O no hydrogen 2.961 N/A LYS 11.A N GLU 7.A O no hydrogen 2.690 N/A LEU 12.A N ARG 8.A O no hydrogen 3.030 N/A LYS 13.A N GLU 9.A O no hydrogen 3.248 N/A LEU 14.A N GLN 10.A O no hydrogen 2.621 N/A TYR 15.A N LYS 11.A O no hydrogen 2.515 N/A GLN 16.A N LEU 12.A O no hydrogen 2.421 N/A SER 17.A N LYS 13.A O no hydrogen 2.730 N/A SER 17.A OG LYS 13.A O no hydrogen 2.807 N/A SER 17.A OG LEU 14.A O no hydrogen 3.273 N/A ALA 18.A N LEU 14.A O no hydrogen 3.119 N/A THR 19.A N TYR 15.A O no hydrogen 3.056 N/A THR 19.A OG1 TYR 15.A O no hydrogen 3.025 N/A GLN 20.A N GLN 16.A O no hydrogen 3.049 N/A ALA 21.A N SER 17.A O no hydrogen 3.077 N/A VAL 22.A N ALA 18.A O no hydrogen 2.979 N/A PHE 23.A N THR 19.A O no hydrogen 3.139 N/A GLN 24.A N GLN 20.A O no hydrogen 3.024 N/A LYS 25.A N ALA 21.A O no hydrogen 2.874 N/A ARG 26.A N PHE 23.A O no hydrogen 2.854 N/A ARG 26.A NE GLU 58.A OE1 no hydrogen 3.548 N/A ARG 26.A NH2 GLU 58.A OE1 no hydrogen 3.291 N/A ARG 26.A NH2 GLU 58.A OE2 no hydrogen 3.117 N/A GLN 27.A N PHE 23.A O no hydrogen 3.159 N/A ALA 28.A N GLN 24.A O no hydrogen 3.354 N/A GLY 29.A N LYS 25.A O no hydrogen 3.258 N/A GLY 29.A N ARG 26.A O no hydrogen 3.151 N/A GLU 30.A N LYS 25.A O no hydrogen 3.069 N/A GLU 33.A N GLU 33.A OE1 no hydrogen 3.192 N/A SER 34.A OG ASP 32.A OD1 no hydrogen 2.644 N/A SER 34.A OG ASP 32.A OD2 no hydrogen 2.279 N/A VAL 35.A N ASP 32.A O no hydrogen 3.290 N/A GLU 37.A N GLU 33.A O no hydrogen 3.381 N/A LEU 38.A N SER 34.A O no hydrogen 3.277 N/A THR 39.A N VAL 35.A O no hydrogen 2.874 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.887 N/A THR 39.A OG1 LEU 36.A O no hydrogen 3.359 N/A SER 40.A N LEU 36.A O no hydrogen 2.999 N/A GLN 41.A N GLU 37.A O no hydrogen 3.144 N/A ILE 42.A N LEU 38.A O no hydrogen 3.084 N/A LEU 43.A N THR 39.A O no hydrogen 2.693 N/A ASN 46.A N ILE 42.A O no hydrogen 2.945 N/A ASP 48.A N ASN 46.A OD1 no hydrogen 3.153 N/A PHE 49.A N ASN 46.A O no hydrogen 3.425 N/A LEU 52.A N PHE 49.A O no hydrogen 3.119 N/A TRP 53.A NE1 PRO 47.A O no hydrogen 2.879 N/A ASN 54.A N ALA 50.A O no hydrogen 3.284 N/A CYS 55.A N THR 51.A O no hydrogen 3.066 N/A CYS 55.A SG THR 51.A O no hydrogen 3.683 N/A ARG 56.A N LEU 52.A O no hydrogen 3.057 N/A ARG 56.A NE GLU 79.A OE2 no hydrogen 2.643 N/A ARG 56.A NH1 LEU 36.A O no hydrogen 2.789 N/A ARG 56.A NH2 GLU 79.A OE1 no hydrogen 2.869 N/A ARG 56.A NH2 GLU 79.A OE2 no hydrogen 3.373 N/A ARG 57.A N TRP 53.A O no hydrogen 3.144 N/A GLU 58.A N ASN 54.A O no hydrogen 2.824 N/A VAL 59.A N CYS 55.A O no hydrogen 2.783 N/A LEU 60.A N ARG 56.A O no hydrogen 2.863 N/A GLN 61.A N ARG 57.A O no hydrogen 2.882 N/A HIS 62.A N GLU 58.A O no hydrogen 3.073 N/A LEU 63.A N VAL 59.A O no hydrogen 3.057 N/A GLU 64.A N GLN 61.A O no hydrogen 3.395 N/A THR 65.A N HIS 62.A O no hydrogen 3.192 N/A THR 65.A OG1 HIS 62.A O no hydrogen 2.726 N/A GLU 71.A N SER 68.A OG no hydrogen 3.046 N/A SER 72.A N SER 68.A O no hydrogen 2.812 N/A SER 72.A OG LEU 63.A O no hydrogen 3.025 N/A SER 72.A OG SER 68.A O no hydrogen 3.349 N/A ALA 73.A N PRO 69.A O no hydrogen 2.844 N/A ALA 74.A N GLU 70.A O no hydrogen 3.074 N/A LEU 75.A N GLU 71.A O no hydrogen 3.145 N/A VAL 76.A N SER 72.A O no hydrogen 3.263 N/A LYS 77.A N ALA 73.A O no hydrogen 3.263 N/A ALA 78.A N ALA 74.A O no hydrogen 2.953 N/A GLU 79.A N LEU 75.A O no hydrogen 2.788 N/A LEU 80.A N VAL 76.A O no hydrogen 2.702 N/A GLY 81.A N LYS 77.A O no hydrogen 3.086 N/A PHE 82.A N ALA 78.A O no hydrogen 3.056 N/A LEU 83.A N GLU 79.A O no hydrogen 2.907 N/A GLU 84.A N LEU 80.A O no hydrogen 3.000 N/A SER 85.A N GLY 81.A O no hydrogen 3.050 N/A SER 85.A OG PHE 82.A O no hydrogen 2.949 N/A CYS 86.A N PHE 82.A O no hydrogen 2.866 N/A CYS 86.A SG PHE 82.A O no hydrogen 3.735 N/A LEU 87.A N LEU 83.A O no hydrogen 2.950 N/A ARG 88.A N GLU 84.A O no hydrogen 3.144 N/A VAL 89.A N CYS 86.A O no hydrogen 3.277 N/A ASN 90.A N CYS 86.A O no hydrogen 3.012 N/A LYS 92.A N ASN 90.A OD1 no hydrogen 2.992 N/A SER 93.A OG ASP 48.A OD1 no hydrogen 2.475 N/A TRP 97.A NE1 PRO 91.A O no hydrogen 2.913 N/A HIS 98.A N TYR 94.A O no hydrogen 3.021 N/A HIS 99.A N GLY 95.A O no hydrogen 2.855 N/A ARG 100.A N THR 96.A O no hydrogen 3.102 N/A ARG 100.A NE GLU 115.A OE1 no hydrogen 2.836 N/A ARG 100.A NH1 LEU 80.A O no hydrogen 3.366 N/A ARG 100.A NH2 GLU 84.A OE1 no hydrogen 3.302 N/A ARG 100.A NH2 GLU 115.A OE1 no hydrogen 3.524 N/A ARG 100.A NH2 GLU 115.A OE2 no hydrogen 2.893 N/A CYS 101.A N TRP 97.A O no hydrogen 3.148 N/A CYS 101.A SG TRP 97.A O no hydrogen 3.453 N/A TRP 102.A N HIS 98.A O no hydrogen 2.746 N/A LEU 103.A N HIS 99.A O no hydrogen 2.901 N/A LEU 104.A N ARG 100.A O no hydrogen 3.026 N/A SER 105.A N CYS 101.A O no hydrogen 2.774 N/A SER 105.A OG CYS 101.A O no hydrogen 3.043 N/A ARG 106.A N LEU 103.A O no hydrogen 3.208 N/A LEU 107.A N LEU 104.A O no hydrogen 3.383 N/A TRP 112.A N PRO 110.A O no hydrogen 3.082 N/A ARG 114.A N ASN 111.A OD1 no hydrogen 3.263 N/A GLU 115.A N ASN 111.A O no hydrogen 3.246 N/A LEU 116.A N TRP 112.A O no hydrogen 2.928 N/A GLU 117.A N ALA 113.A O no hydrogen 3.202 N/A GLU 117.A N ARG 114.A O no hydrogen 3.168 N/A LEU 118.A N ARG 114.A O no hydrogen 2.957 N/A CYS 119.A N GLU 115.A O no hydrogen 3.202 N/A CYS 119.A SG GLU 115.A O no hydrogen 3.327 N/A ALA 120.A N LEU 116.A O no hydrogen 3.246 N/A ARG 121.A N GLU 117.A O no hydrogen 2.912 N/A PHE 122.A N LEU 118.A O no hydrogen 2.898 N/A LEU 123.A N CYS 119.A O no hydrogen 2.851 N/A GLU 124.A N ALA 120.A O no hydrogen 3.239 N/A GLU 124.A N ARG 121.A O no hydrogen 3.207 N/A ALA 125.A N ARG 121.A O no hydrogen 3.283 N/A ASP 126.A N PHE 122.A O no hydrogen 2.880 N/A ARG 128.A N ASP 126.A OD1 no hydrogen 3.087 N/A ARG 128.A NE SER 166.A OG no hydrogen 3.372 N/A ASN 129.A N ASP 126.A O no hydrogen 3.016 N/A ASN 129.A ND2 PRO 91.A O no hydrogen 2.839 N/A CYS 132.A N ASN 129.A OD1 no hydrogen 3.148 N/A CYS 132.A SG CYS 119.A O no hydrogen 3.549 N/A TRP 133.A N ASN 129.A O no hydrogen 3.103 N/A TRP 133.A NE1 GLU 127.A O no hydrogen 2.744 N/A ASP 134.A N PHE 130.A O no hydrogen 2.859 N/A TYR 135.A N HIS 131.A O no hydrogen 2.900 N/A TYR 135.A OH GLU 115.A OE1 no hydrogen 2.384 N/A ARG 136.A N CYS 132.A O no hydrogen 2.785 N/A ARG 136.A NE GLU 150.A OE1 no hydrogen 2.923 N/A ARG 136.A NH1 LEU 116.A O no hydrogen 3.375 N/A ARG 136.A NH2 GLU 150.A OE2 no hydrogen 3.326 N/A ARG 137.A N TRP 133.A O no hydrogen 2.980 N/A ARG 137.A NH1 ASP 134.A OD2 no hydrogen 2.744 N/A PHE 138.A N ASP 134.A O no hydrogen 3.111 N/A VAL 139.A N TYR 135.A O no hydrogen 2.942 N/A ALA 140.A N ARG 136.A O no hydrogen 2.974 N/A ALA 141.A N ARG 137.A O no hydrogen 3.104 N/A GLN 142.A N PHE 138.A O no hydrogen 2.890 N/A ALA 143.A N VAL 139.A O no hydrogen 2.954 N/A ALA 144.A N ALA 141.A O no hydrogen 2.816 N/A VAL 145.A N ALA 140.A O no hydrogen 2.801 N/A GLU 149.A N ALA 146.A O no hydrogen 3.271 N/A GLU 150.A N ALA 146.A O no hydrogen 3.514 N/A LEU 151.A N PRO 147.A O no hydrogen 2.897 N/A ALA 152.A N ALA 148.A O no hydrogen 2.733 N/A PHE 153.A N GLU 149.A O no hydrogen 2.457 N/A THR 154.A N GLU 150.A O no hydrogen 2.918 N/A THR 154.A OG1 LEU 151.A O no hydrogen 2.773 N/A ASP 155.A N LEU 151.A O no hydrogen 3.105 N/A SER 156.A N ALA 152.A O no hydrogen 3.462 N/A SER 156.A OG ALA 152.A O no hydrogen 3.413 N/A LEU 157.A N PHE 153.A O no hydrogen 3.451 N/A THR 159.A OG1 SER 156.A O no hydrogen 3.002 N/A ARG 160.A N SER 156.A O no hydrogen 3.070 N/A ASN 161.A N LEU 157.A O no hydrogen 3.392 N/A SER 163.A N ASN 161.A OD1 no hydrogen 3.023 N/A ASN 164.A ND2 ILE 158.A O no hydrogen 3.251 N/A ASN 164.A ND2 ASN 161.A O no hydrogen 2.878 N/A SER 167.A OG ASN 164.A O no hydrogen 2.678 N/A TRP 168.A N ASN 164.A O no hydrogen 2.752 N/A HIS 169.A N TYR 165.A O no hydrogen 2.899 N/A TYR 170.A N SER 166.A O no hydrogen 3.049 N/A TYR 170.A OH GLU 150.A OE1 no hydrogen 2.548 N/A ARG 171.A N SER 167.A O no hydrogen 2.894 N/A ARG 171.A NE GLU 191.A OE1 no hydrogen 3.159 N/A ARG 171.A NE GLU 191.A OE2 no hydrogen 3.066 N/A ARG 171.A NH1 LEU 151.A O no hydrogen 3.455 N/A ARG 171.A NH1 THR 154.A OG1 no hydrogen 2.782 N/A ARG 171.A NH1 ASP 155.A OD2 no hydrogen 2.603 N/A ARG 171.A NH2 GLU 191.A OE1 no hydrogen 2.698 N/A SER 172.A N TRP 168.A O no hydrogen 3.041 N/A SER 172.A OG HIS 169.A O no hydrogen 2.655 N/A CYS 173.A N HIS 169.A O no hydrogen 3.288 N/A CYS 173.A N TYR 170.A O no hydrogen 3.092 N/A CYS 173.A SG HIS 169.A NE2 no hydrogen 3.709 N/A CYS 173.A SG HIS 169.A O no hydrogen 3.728 N/A LEU 174.A N TYR 170.A O no hydrogen 2.965 N/A LEU 175.A N ARG 171.A O no hydrogen 3.131 N/A GLN 177.A N LEU 174.A O no hydrogen 2.930 N/A LEU 178.A N LEU 175.A O no hydrogen 3.022 N/A HIS 179.A ND1 LEU 175.A O no hydrogen 3.070 N/A LEU 188.A N PRO 184.A O no hydrogen 2.909 N/A LEU 189.A N GLU 185.A O no hydrogen 2.825 N/A LYS 190.A N ASN 186.A O no hydrogen 3.192 N/A GLU 191.A N VAL 187.A O no hydrogen 2.891 N/A LEU 192.A N LEU 188.A O no hydrogen 2.712 N/A GLU 193.A N LEU 189.A O no hydrogen 3.125 N/A GLU 193.A N LYS 190.A O no hydrogen 3.119 N/A LEU 194.A N LYS 190.A O no hydrogen 3.111 N/A VAL 195.A N GLU 191.A O no hydrogen 3.169 N/A GLN 196.A N LEU 192.A O no hydrogen 3.251 N/A ASN 197.A N GLU 193.A O no hydrogen 3.429 N/A ALA 198.A N LEU 194.A O no hydrogen 3.096 N/A PHE 199.A N VAL 195.A O no hydrogen 2.926 N/A PHE 200.A N GLN 196.A O no hydrogen 2.733 N/A PHE 200.A N ASN 197.A O no hydrogen 3.160 N/A THR 201.A N ASN 197.A O no hydrogen 2.925 N/A THR 201.A OG1 ASN 197.A O no hydrogen 2.611 N/A THR 201.A OG1 ASN 197.A OD1 no hydrogen 3.272 N/A ASP 202.A N ALA 198.A O no hydrogen 2.989 N/A ASN 204.A N ASP 202.A OD1 no hydrogen 3.139 N/A ASP 205.A N ASP 202.A O no hydrogen 3.135 N/A TRP 209.A NE1 PRO 203.A O no hydrogen 3.151 N/A PHE 210.A N GLN 206.A O no hydrogen 3.211 N/A TYR 211.A N SER 207.A O no hydrogen 3.061 N/A TYR 211.A OH GLU 191.A OE2 no hydrogen 2.283 N/A HIS 212.A N ALA 208.A O no hydrogen 2.730 N/A HIS 212.A NE2 GLU 234.A OE1 no hydrogen 2.551 N/A ARG 213.A N TRP 209.A O no hydrogen 2.972 N/A ARG 213.A NH2 TYR 288.A OH no hydrogen 2.948 N/A TRP 214.A N PHE 210.A O no hydrogen 3.367 N/A LEU 215.A N TYR 211.A O no hydrogen 2.998 N/A LEU 216.A N HIS 212.A O no hydrogen 3.016 N/A GLY 217.A N ARG 213.A O no hydrogen 3.311 N/A GLY 217.A N TRP 214.A O no hydrogen 2.878 N/A ALA 218.A N LEU 215.A O no hydrogen 3.073 N/A GLY 219.A N GLY 217.A O no hydrogen 2.833 N/A ARG 220.A NE GLU 222.A OE1 no hydrogen 3.541 N/A CYS 221.A SG LEU 262.A O no hydrogen 3.478 N/A SER 224.A OG GLU 185.A OE2 no hydrogen 2.723 N/A LYS 227.A N SER 224.A OG no hydrogen 3.002 N/A LYS 227.A NZ GLY 219.A O no hydrogen 3.138 N/A SER 228.A N SER 224.A O no hydrogen 3.037 N/A THR 229.A N VAL 225.A O no hydrogen 3.018 N/A THR 229.A OG1 VAL 225.A O no hydrogen 2.668 N/A VAL 230.A N GLU 226.A O no hydrogen 2.862 N/A LEU 231.A N LYS 227.A O no hydrogen 2.779 N/A GLN 232.A N SER 228.A O no hydrogen 3.030 N/A GLN 232.A NE2 TYR 267.A OH no hydrogen 3.026 N/A SER 233.A N THR 229.A O no hydrogen 2.863 N/A GLU 234.A N VAL 230.A O no hydrogen 2.789 N/A LEU 235.A N LEU 231.A O no hydrogen 2.807 N/A GLU 236.A N GLN 232.A O no hydrogen 3.231 N/A SER 237.A N SER 233.A O no hydrogen 3.148 N/A SER 237.A OG SER 233.A O no hydrogen 2.634 N/A CYS 238.A N GLU 234.A O no hydrogen 3.169 N/A CYS 238.A N LEU 235.A O no hydrogen 3.210 N/A CYS 238.A SG GLU 234.A O no hydrogen 3.458 N/A LYS 239.A N LEU 235.A O no hydrogen 3.161 N/A LYS 239.A NZ GLU 236.A OE2 no hydrogen 3.551 N/A GLU 240.A N GLU 236.A O no hydrogen 2.882 N/A LEU 241.A N SER 237.A O no hydrogen 2.938 N/A GLN 242.A N LYS 239.A O no hydrogen 3.002 N/A GLN 242.A NE2 TYR 274.A OH no hydrogen 2.559 N/A GLU 243.A N LYS 239.A O no hydrogen 3.074 N/A LEU 244.A N GLU 240.A O no hydrogen 3.357 N/A GLU 245.A N LEU 241.A O no hydrogen 2.913 N/A ASN 248.A N GLU 245.A O no hydrogen 3.124 N/A ASN 248.A ND2 PRO 203.A O no hydrogen 2.819 N/A LYS 249.A NZ ASP 282.A OD2 no hydrogen 2.828 N/A CYS 251.A N ASN 248.A OD1 no hydrogen 2.935 N/A CYS 251.A SG CYS 238.A O no hydrogen 3.113 N/A LEU 253.A N LYS 249.A O no hydrogen 3.108 N/A THR 254.A N TRP 250.A O no hydrogen 3.109 N/A THR 254.A OG1 TRP 250.A O no hydrogen 2.583 N/A ILE 255.A N CYS 251.A O no hydrogen 2.838 N/A ILE 256.A N LEU 252.A O no hydrogen 3.315 N/A LEU 257.A N LEU 253.A O no hydrogen 3.081 N/A LEU 258.A N THR 254.A O no hydrogen 2.778 N/A MET 259.A N ILE 255.A O no hydrogen 3.058 N/A ARG 260.A N ILE 256.A O no hydrogen 3.057 N/A ARG 260.A NH1 GLU 299.A OE2 no hydrogen 3.255 N/A ARG 260.A NH1 ASN 300.A OD1 no hydrogen 3.179 N/A ARG 260.A NH2 ASN 300.A OD1 no hydrogen 2.760 N/A ALA 261.A N LEU 257.A O no hydrogen 2.977 N/A LEU 262.A N LEU 258.A O no hydrogen 2.825 N/A ASP 263.A N MET 259.A O no hydrogen 2.823 N/A LEU 266.A N ASP 263.A OD1 no hydrogen 3.361 N/A TYR 267.A N ASP 263.A O no hydrogen 3.181 N/A GLU 268.A N LEU 265.A O no hydrogen 3.277 N/A GLU 270.A N GLU 270.A OE1 no hydrogen 2.834 N/A THR 271.A N TYR 267.A O no hydrogen 2.935 N/A THR 271.A OG1 TYR 267.A O no hydrogen 2.858 N/A LEU 272.A N GLU 268.A O no hydrogen 3.213 N/A GLN 273.A N LYS 269.A O no hydrogen 3.063 N/A TYR 274.A N GLU 270.A O no hydrogen 2.804 N/A PHE 275.A N THR 271.A O no hydrogen 2.979 N/A SER 276.A N LEU 272.A O no hydrogen 3.446 N/A THR 277.A N GLN 273.A O no hydrogen 3.233 N/A THR 277.A OG1 GLN 273.A O no hydrogen 3.376 N/A LEU 278.A N TYR 274.A O no hydrogen 3.049 N/A LYS 279.A N PHE 275.A O no hydrogen 2.841 N/A LYS 279.A NZ ASP 290.A OD2 no hydrogen 2.847 N/A ALA 280.A N SER 276.A O no hydrogen 3.125 N/A VAL 281.A N THR 277.A O no hydrogen 3.010 N/A ASP 282.A N LEU 278.A O no hydrogen 2.829 N/A ARG 285.A N ASP 282.A O no hydrogen 3.011 N/A ARG 285.A NE ASP 282.A OD1 no hydrogen 3.299 N/A ARG 285.A NE ASP 282.A OD2 no hydrogen 2.989 N/A ARG 285.A NH2 ASP 282.A OD1 no hydrogen 2.921 N/A ALA 286.A N PRO 283.A O no hydrogen 3.126 N/A LEU 289.A N ARG 285.A O no hydrogen 3.066 N/A ASP 290.A N ALA 286.A O no hydrogen 3.119 N/A ASP 291.A N ALA 287.A O no hydrogen 3.081 N/A LEU 292.A N TYR 288.A O no hydrogen 2.788 N/A ARG 293.A N LEU 289.A O no hydrogen 2.760 N/A SER 294.A N ASP 290.A O no hydrogen 2.810 N/A SER 294.A OG ASP 290.A O no hydrogen 3.139 N/A LYS 295.A N ASP 291.A O no hydrogen 3.020 N/A PHE 296.A N LEU 292.A O no hydrogen 3.052 N/A LEU 297.A N ARG 293.A O no hydrogen 2.887 N/A LEU 298.A N SER 294.A O no hydrogen 2.989 N/A GLU 299.A N LYS 295.A O no hydrogen 3.100 N/A ASN 300.A N PHE 296.A O no hydrogen 2.818 N/A ASN 300.A ND2 GLU 268.A OE2 no hydrogen 2.578 N/A SER 301.A N LEU 298.A O no hydrogen 2.842 N/A SER 301.A OG LEU 297.A O no hydrogen 3.409 N/A VAL 302.A N LEU 298.A O no hydrogen 2.953 N/A LEU 303.A N GLU 299.A O no hydrogen 2.978 N/A LYS 304.A N ASN 300.A O no hydrogen 3.379 N/A LYS 304.A NZ GLU 268.A OE1 no hydrogen 3.411 N/A MET 305.A N SER 301.A O no hydrogen 3.202 N/A TYR 307.A N LYS 304.A O no hydrogen 3.363 N/A