Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1hee_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLN 28.A OE1 no hydrogen 2.836 N/A ASN 5.A N SER 3.A OG no hydrogen 3.254 N/A THR 6.A N SER 3.A O no hydrogen 2.875 N/A PHE 7.A N SER 3.A O no hydrogen 3.172 N/A TYR 9.A OH THR 4.A O no hydrogen 2.689 N/A ALA 10.A N ASN 8.A OD1 no hydrogen 2.909 N/A TYR 12.A OH LEU 281.A O no hydrogen 2.717 N/A HIS 13.A ND1 GLU 17.A OE1 no hydrogen 2.793 N/A HIS 13.A NE2 ASN 8.A O no hydrogen 2.717 N/A THR 14.A N GLU 17.A OE1 no hydrogen 3.067 N/A GLU 17.A N THR 14.A OG1 no hydrogen 3.366 N/A ILE 18.A N THR 14.A O no hydrogen 3.117 N/A TYR 19.A N LEU 15.A O no hydrogen 2.960 N/A TYR 19.A OH PRO 46.A O no hydrogen 2.697 N/A ASP 20.A N ASP 16.A O no hydrogen 2.873 N/A PHE 21.A N GLU 17.A O no hydrogen 2.992 N/A MET 22.A N ILE 18.A O no hydrogen 3.141 N/A ASP 23.A N TYR 19.A O no hydrogen 3.391 N/A LEU 24.A N ASP 20.A O no hydrogen 3.061 N/A LEU 25.A N PHE 21.A O no hydrogen 2.870 N/A VAL 26.A N MET 22.A O no hydrogen 3.062 N/A ALA 27.A N ASP 23.A O no hydrogen 2.969 N/A GLN 28.A N LEU 24.A O no hydrogen 2.956 N/A GLN 28.A N LEU 25.A O no hydrogen 3.137 N/A GLN 28.A NE2 THR 4.A OG1 no hydrogen 2.585 N/A HIS 29.A N LEU 25.A O no hydrogen 2.945 N/A LEU 32.A N HIS 29.A O no hydrogen 3.077 N/A VAL 33.A N HIS 29.A O no hydrogen 2.950 N/A SER 34.A N LYS 51.A O no hydrogen 3.122 N/A LYS 35.A NZ ASP 23.A OD1 no hydrogen 2.633 N/A LEU 36.A N VAL 49.A O no hydrogen 2.875 N/A ILE 38.A N ILE 47.A O no hydrogen 2.936 N/A SER 41.A N ARG 45.A O no hydrogen 2.712 N/A SER 41.A OG ARG 45.A O no hydrogen 3.411 N/A TYR 42.A N GLU 175.A OE2 no hydrogen 3.173 N/A GLU 43.A N ASN 114.A OD1 no hydrogen 2.858 N/A GLY 44.A N SER 41.A O no hydrogen 2.925 N/A ARG 45.A N SER 41.A OG no hydrogen 2.766 N/A ARG 45.A NH1 GLU 43.A OE1 no hydrogen 2.878 N/A ILE 47.A N GLY 39.A O no hydrogen 2.820 N/A VAL 49.A N LEU 36.A O no hydrogen 2.813 N/A LEU 50.A N LEU 107.A O no hydrogen 2.807 N/A LYS 51.A N SER 34.A O no hydrogen 2.902 N/A LYS 51.A NZ ASP 104.A OD2 no hydrogen 3.414 N/A PHE 52.A N ILE 105.A O no hydrogen 2.811 N/A SER 53.A N LEU 32.A O no hydrogen 2.924 N/A SER 53.A OG ASP 104.A OD1 no hydrogen 2.707 N/A THR 54.A OG1 TYR 90.A OH no hydrogen 3.296 N/A GLY 55.A N SER 53.A OG no hydrogen 3.102 N/A ASN 58.A ND2 SER 57.A O no hydrogen 3.014 N/A ALA 61.A N ASN 188.A O no hydrogen 2.950 N/A ILE 62.A N ASP 104.A O no hydrogen 2.977 N/A TRP 63.A N ALA 191.A O no hydrogen 2.891 N/A TRP 63.A NE1 ASP 65.A OD2 no hydrogen 2.930 N/A ILE 64.A N PHE 106.A O no hydrogen 2.961 N/A ASP 65.A N LEU 193.A O no hydrogen 2.905 N/A LEU 66.A N GLU 108.A O no hydrogen 2.961 N/A HIS 69.A NE2 ASP 142.A OD1 no hydrogen 2.622 N/A SER 70.A OG TRP 126.A O no hydrogen 2.781 N/A ARG 71.A NH1 LEU 125.A O no hydrogen 3.076 N/A ARG 71.A NH1 GLU 163.A OE2 no hydrogen 3.277 N/A ARG 71.A NH2 GLU 163.A OE1 no hydrogen 2.934 N/A GLU 72.A N HIS 69.A O no hydrogen 3.199 N/A TRP 73.A NE1 THR 119.A OG1 no hydrogen 3.040 N/A THR 75.A N GLU 72.A O no hydrogen 2.905 N/A THR 75.A OG1 GLU 72.A O no hydrogen 2.698 N/A THR 75.A OG1 GLN 76.A OE1 no hydrogen 3.149 N/A GLN 76.A N GLN 76.A OE1 no hydrogen 2.764 N/A GLN 76.A NE2 SER 70.A O no hydrogen 3.442 N/A ALA 77.A N TRP 73.A O no hydrogen 3.210 N/A THR 78.A N ILE 74.A O no hydrogen 3.010 N/A THR 78.A OG1 ILE 74.A O no hydrogen 2.828 N/A GLY 79.A N THR 75.A O no hydrogen 2.915 N/A VAL 80.A N GLN 76.A O no hydrogen 3.056 N/A TRP 81.A N ALA 77.A O no hydrogen 3.318 N/A PHE 82.A N THR 78.A O no hydrogen 2.832 N/A ALA 83.A N GLY 79.A O no hydrogen 3.002 N/A LYS 84.A N VAL 80.A O no hydrogen 3.290 N/A LYS 84.A NZ THR 4.A O no hydrogen 2.998 N/A LYS 84.A NZ ASN 5.A OD1 no hydrogen 3.263 N/A LYS 84.A NZ TYR 9.A OH no hydrogen 3.287 N/A LYS 85.A N TRP 81.A O no hydrogen 2.847 N/A LYS 85.A NZ ASN 89.A OD1 no hydrogen 2.739 N/A PHE 86.A N PHE 82.A O no hydrogen 2.902 N/A THR 87.A OG1 LYS 84.A O no hydrogen 2.726 N/A GLU 88.A N LYS 84.A O no hydrogen 3.149 N/A GLU 88.A N LYS 85.A O no hydrogen 2.959 N/A ASN 89.A N LYS 85.A O no hydrogen 2.869 N/A TYR 90.A N PHE 86.A O no hydrogen 3.287 N/A TYR 90.A OH ASP 101.A OD1 no hydrogen 2.633 N/A GLY 91.A N THR 97.A OG1 no hydrogen 2.712 N/A GLN 92.A N ASN 89.A O no hydrogen 2.885 N/A ASN 93.A N ASN 89.A O no hydrogen 2.810 N/A PHE 96.A N ASN 93.A OD1 no hydrogen 2.946 N/A THR 97.A N ASN 93.A O no hydrogen 2.859 N/A THR 97.A OG1 ASN 93.A O no hydrogen 2.697 N/A ALA 98.A N PRO 94.A O no hydrogen 3.159 N/A ILE 99.A N SER 95.A O no hydrogen 3.132 N/A LEU 100.A N PHE 96.A O no hydrogen 2.964 N/A ASP 101.A N THR 97.A O no hydrogen 2.972 N/A SER 102.A N ILE 99.A O no hydrogen 3.257 N/A MET 103.A N ILE 99.A O no hydrogen 2.896 N/A ASP 104.A N PRO 60.A O no hydrogen 3.153 N/A ILE 105.A N PHE 52.A O no hydrogen 3.020 N/A PHE 106.A N ILE 62.A O no hydrogen 2.838 N/A LEU 107.A N LEU 50.A O no hydrogen 2.805 N/A GLU 108.A N ILE 64.A O no hydrogen 2.897 N/A THR 111.A N LEU 66.A O no hydrogen 3.212 N/A THR 111.A OG1 LEU 66.A O no hydrogen 2.814 N/A ASN 114.A ND2 SER 41.A OG no hydrogen 2.620 N/A PHE 116.A N ASN 112.A O no hydrogen 3.073 N/A ALA 117.A N PRO 113.A O no hydrogen 3.040 N/A PHE 118.A N ASN 114.A O no hydrogen 3.090 N/A THR 119.A N GLY 115.A O no hydrogen 2.961 N/A THR 119.A OG1 PHE 116.A O no hydrogen 2.530 N/A HIS 120.A N ALA 117.A O no hydrogen 3.155 N/A SER 121.A N ALA 117.A O no hydrogen 3.146 N/A SER 121.A OG ALA 117.A O no hydrogen 3.278 N/A GLU 122.A N PHE 118.A O no hydrogen 2.912 N/A ASN 123.A N PHE 118.A O no hydrogen 3.051 N/A ARG 124.A NE ARG 124.A O no hydrogen 2.975 N/A ARG 124.A NH2 ARG 71.A O no hydrogen 3.047 N/A LEU 125.A N ASN 123.A OD1 no hydrogen 2.960 N/A TRP 126.A N ASN 123.A O no hydrogen 3.142 N/A TRP 126.A NE1 THR 129.A O no hydrogen 3.025 N/A ARG 127.A NE ASP 142.A OD2 no hydrogen 3.067 N/A ARG 127.A NE GLU 163.A O no hydrogen 3.139 N/A ARG 127.A NH2 ASP 142.A OD2 no hydrogen 2.640 N/A LYS 128.A NZ VAL 139.A O no hydrogen 3.124 N/A LYS 128.A NZ GLY 140.A O no hydrogen 3.038 N/A LYS 128.A NZ SER 162.A O no hydrogen 2.997 N/A THR 129.A N VAL 141.A O no hydrogen 2.959 N/A THR 129.A OG1 VAL 141.A O no hydrogen 3.410 N/A THR 129.A OG1 GLU 173.A OE1 no hydrogen 2.720 N/A SER 131.A OG GLU 173.A OE1 no hydrogen 2.799 N/A SER 136.A N SER 134.A O no hydrogen 2.599 N/A CYS 138.A N SER 136.A OG no hydrogen 3.122 N/A GLY 140.A N SER 131.A O no hydrogen 2.834 N/A VAL 141.A N THR 129.A OG1 no hydrogen 2.954 N/A ASP 142.A N TYR 165.A O no hydrogen 2.873 N/A ASN 144.A N ASP 142.A OD1 no hydrogen 2.852 N/A ARG 145.A N ASP 142.A O no hydrogen 3.032 N/A ARG 145.A NE GLY 155.A O no hydrogen 2.932 N/A ARG 145.A NH1 ASN 144.A O no hydrogen 2.943 N/A ASN 146.A ND2 HIS 166.A O no hydrogen 2.829 N/A ASN 146.A ND2 TYR 169.A O no hydrogen 3.262 N/A ASN 146.A ND2 SER 172.A OG no hydrogen 3.079 N/A TRP 147.A N GLY 252.A O no hydrogen 2.913 N/A ALA 149.A N TRP 147.A O no hydrogen 2.895 N/A LYS 153.A N GLY 150.A O no hydrogen 3.128 N/A SER 157.A N THR 164.A O no hydrogen 2.952 N/A SER 157.A OG SER 159.A OG no hydrogen 3.398 N/A SER 159.A N SER 157.A OG no hydrogen 3.193 N/A SER 159.A OG SER 157.A OG no hydrogen 3.398 N/A SER 162.A N SER 159.A O no hydrogen 2.917 N/A THR 164.A N SER 162.A OG no hydrogen 3.130 N/A TYR 165.A N SER 162.A O no hydrogen 3.352 N/A HIS 166.A N SER 157.A O no hydrogen 3.099 N/A HIS 166.A ND1 GLY 167.A O no hydrogen 2.728 N/A ASN 171.A N ASN 146.A O no hydrogen 2.818 N/A SER 172.A N TYR 169.A O no hydrogen 3.200 N/A SER 172.A OG TYR 169.A O no hydrogen 3.308 N/A SER 172.A OG GLU 173.A OE2 no hydrogen 2.991 N/A GLU 173.A N ASN 146.A OD1 no hydrogen 3.156 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.790 N/A VAL 176.A N GLU 173.A O no hydrogen 2.950 N/A LYS 177.A N GLU 173.A O no hydrogen 2.941 N/A LYS 177.A NZ ASP 181.A OD1 no hydrogen 2.938 N/A LYS 177.A NZ ASP 181.A OD2 no hydrogen 3.468 N/A SER 178.A N VAL 174.A O no hydrogen 2.900 N/A SER 178.A OG VAL 174.A O no hydrogen 2.633 N/A ILE 179.A N VAL 176.A O no hydrogen 3.087 N/A VAL 180.A N VAL 176.A O no hydrogen 3.050 N/A ASP 181.A N LYS 177.A O no hydrogen 2.887 N/A PHE 182.A N SER 178.A O no hydrogen 3.323 N/A VAL 183.A N ILE 179.A O no hydrogen 2.883 N/A LYS 184.A N VAL 180.A O no hydrogen 2.915 N/A LYS 184.A NZ GLN 261.A OE1 no hydrogen 2.758 N/A ASN 185.A N ASP 181.A O no hydrogen 2.876 N/A HIS 186.A N PHE 182.A O no hydrogen 3.061 N/A GLY 187.A N VAL 183.A O no hydrogen 3.012 N/A ASN 188.A ND2 ASN 58.A O no hydrogen 2.863 N/A LYS 190.A N ALA 61.A O no hydrogen 2.744 N/A ALA 191.A N ALA 61.A O no hydrogen 3.429 N/A PHE 192.A N TYR 265.A O no hydrogen 2.981 N/A LEU 193.A N TRP 63.A O no hydrogen 2.707 N/A SER 194.A N PHE 267.A O no hydrogen 3.071 N/A SER 194.A OG ASP 65.A OD1 no hydrogen 2.675 N/A SER 194.A OG HIS 196.A NE2 no hydrogen 3.368 N/A ILE 195.A N ASP 65.A O no hydrogen 2.879 N/A HIS 196.A N PHE 269.A O no hydrogen 2.755 N/A SER 197.A N GLU 72.A OE1 no hydrogen 3.169 N/A SER 199.A N LEU 271.A O no hydrogen 3.108 N/A SER 199.A OG TYR 198.A O no hydrogen 2.537 N/A GLN 200.A N LEU 271.A O no hydrogen 3.244 N/A GLN 200.A NE2 SER 237.A O no hydrogen 2.964 N/A LEU 201.A N GLU 270.A O no hydrogen 3.045 N/A LEU 202.A N LYS 239.A O no hydrogen 2.903 N/A LEU 203.A N THR 268.A O no hydrogen 2.880 N/A TYR 204.A N GLY 241.A O no hydrogen 3.158 N/A TYR 206.A OH ASN 260.A OD1 no hydrogen 2.617 N/A GLY 207.A N ASP 256.A OD2 no hydrogen 2.806 N/A TYR 208.A N ASP 256.A OD2 no hydrogen 3.258 N/A GLN 211.A N THR 209.A OG1 no hydrogen 3.050 N/A GLN 211.A NE2 SER 212.A O no hydrogen 3.090 N/A LYS 216.A N ILE 213.A O no hydrogen 3.258 N/A LYS 216.A NZ TYR 204.A OH no hydrogen 3.493 N/A LEU 219.A N ASP 215.A O no hydrogen 2.995 N/A ASN 220.A N LYS 216.A O no hydrogen 2.915 N/A ASN 220.A ND2 TYR 204.A OH no hydrogen 2.791 N/A GLN 221.A N THR 217.A O no hydrogen 3.378 N/A VAL 222.A N GLU 218.A O no hydrogen 2.952 N/A ALA 223.A N LEU 219.A O no hydrogen 2.884 N/A LYS 224.A N ASN 220.A O no hydrogen 2.929 N/A SER 225.A N GLN 221.A O no hydrogen 2.994 N/A SER 225.A OG GLN 221.A O no hydrogen 3.283 N/A ALA 226.A N VAL 222.A O no hydrogen 2.936 N/A VAL 227.A N ALA 223.A O no hydrogen 2.955 N/A ALA 228.A N LYS 224.A O no hydrogen 3.163 N/A ALA 229.A N SER 225.A O no hydrogen 3.008 N/A LEU 230.A N ALA 226.A O no hydrogen 2.944 N/A LYS 231.A N VAL 227.A O no hydrogen 3.030 N/A LYS 231.A NZ GLY 235.A O no hydrogen 3.278 N/A LYS 231.A NZ SER 237.A OG no hydrogen 2.814 N/A SER 232.A N ALA 228.A O no hydrogen 3.178 N/A SER 232.A N ALA 229.A O no hydrogen 3.221 N/A SER 232.A OG ALA 229.A O no hydrogen 2.636 N/A GLY 235.A N LYS 231.A O no hydrogen 2.757 N/A THR 236.A OG1 GLU 292.A OE1 no hydrogen 2.692 N/A THR 236.A OG1 GLU 292.A OE2 no hydrogen 3.385 N/A TYR 238.A OH GLU 270.A O no hydrogen 3.319 N/A LYS 239.A N GLN 200.A O no hydrogen 3.178 N/A LYS 239.A NZ SER 199.A O no hydrogen 2.997 N/A GLY 241.A N LEU 202.A O no hydrogen 3.266 N/A ILE 243.A N TYR 204.A O no hydrogen 2.975 N/A ILE 244.A N TYR 206.A O no hydrogen 3.069 N/A THR 245.A OG1 SER 242.A OG no hydrogen 3.213 N/A THR 246.A N SER 242.A O no hydrogen 2.949 N/A THR 246.A N ILE 243.A O no hydrogen 3.187 N/A THR 246.A OG1 SER 242.A O no hydrogen 2.745 N/A ILE 247.A N ILE 243.A O no hydrogen 2.890 N/A ALA 250.A N GLY 207.A O no hydrogen 2.942 N/A SER 251.A OG LYS 153.A O no hydrogen 2.675 N/A GLY 252.A N ALA 149.A O no hydrogen 2.864 N/A SER 254.A N ASN 144.A OD1 no hydrogen 3.007 N/A SER 254.A OG ASN 144.A OD1 no hydrogen 3.531 N/A TRP 257.A N GLY 253.A O no hydrogen 3.329 N/A SER 258.A N SER 254.A O no hydrogen 2.901 N/A SER 258.A OG SER 254.A O no hydrogen 3.491 N/A SER 258.A OG ILE 255.A O no hydrogen 3.078 N/A SER 258.A OG SER 266.A OG no hydrogen 2.943 N/A TYR 259.A N ILE 255.A O no hydrogen 3.023 N/A TYR 259.A OH ASP 215.A OD2 no hydrogen 2.527 N/A ASN 260.A N ASP 256.A O no hydrogen 3.087 N/A ASN 260.A ND2 TYR 208.A OH no hydrogen 3.259 N/A GLN 261.A N SER 258.A O no hydrogen 3.023 N/A GLN 261.A NE2 TRP 257.A O no hydrogen 3.145 N/A GLY 262.A N TYR 259.A O no hydrogen 2.864 N/A ILE 263.A N SER 258.A O no hydrogen 3.134 N/A LYS 264.A NZ GLU 218.A OE1 no hydrogen 2.662 N/A TYR 265.A OH GLU 218.A OE2 no hydrogen 2.654 N/A SER 266.A N LYS 264.A O no hydrogen 2.971 N/A SER 266.A OG SER 258.A OG no hydrogen 2.943 N/A SER 266.A OG ILE 263.A O no hydrogen 2.715 N/A PHE 267.A N PHE 192.A O no hydrogen 3.137 N/A THR 268.A N LEU 203.A O no hydrogen 2.947 N/A PHE 269.A N SER 194.A O no hydrogen 3.027 N/A GLU 270.A N LEU 201.A O no hydrogen 2.853 N/A LEU 271.A N HIS 196.A O no hydrogen 2.831 N/A ARG 272.A NH1 GLU 292.A OE1 no hydrogen 3.297 N/A ARG 272.A NH1 GLU 292.A OE2 no hydrogen 3.108 N/A GLY 275.A N ASP 273.A OD1 no hydrogen 2.867 N/A TYR 277.A N ASP 273.A OD2 no hydrogen 2.828 N/A GLY 278.A N ASP 273.A OD1 no hydrogen 3.039 N/A LEU 280.A N TYR 277.A O no hydrogen 3.106 N/A GLN 285.A N PRO 282.A O no hydrogen 2.883 N/A ILE 286.A N ALA 283.A O no hydrogen 3.029 N/A THR 289.A N GLN 285.A O no hydrogen 3.005 N/A THR 289.A OG1 GLN 285.A O no hydrogen 2.751 N/A ALA 290.A N ILE 286.A O no hydrogen 2.921 N/A GLN 291.A N ILE 287.A O no hydrogen 2.775 N/A GLU 292.A N PRO 288.A O no hydrogen 3.159 N/A THR 293.A N THR 289.A O no hydrogen 3.021 N/A TRP 294.A N ALA 290.A O no hydrogen 3.028 N/A LEU 295.A N GLU 292.A O no hydrogen 3.125 N/A GLY 296.A N GLU 292.A O no hydrogen 3.387 N/A VAL 297.A N THR 293.A O no hydrogen 2.896 N/A LEU 298.A N TRP 294.A O no hydrogen 2.769 N/A THR 299.A N LEU 295.A O no hydrogen 3.192 N/A THR 299.A OG1 LEU 295.A O no hydrogen 2.843 N/A ILE 300.A N GLY 296.A O no hydrogen 3.348 N/A MET 301.A N VAL 297.A O no hydrogen 3.010 N/A GLU 302.A N LEU 298.A O no hydrogen 2.851 N/A HIS 303.A N THR 299.A O no hydrogen 3.241 N/A HIS 303.A NE2 GLU 218.A OE2 no hydrogen 2.820 N/A THR 304.A N ILE 300.A O no hydrogen 3.031 N/A THR 304.A OG1 ILE 300.A O no hydrogen 2.968 N/A VAL 305.A N MET 301.A O no hydrogen 3.043 N/A ASN 306.A N GLU 302.A O no hydrogen 3.355 N/A ASN 307.A N THR 304.A O no hydrogen 3.212 N/A ASN 307.A ND2 HIS 303.A O no hydrogen 2.649 N/A