Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3thn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LEU 244.A O no hydrogen 2.720 N/A LYS 2.A N ASP 45.A OD2 no hydrogen 2.999 N/A LYS 2.A NZ ARG 42.A O no hydrogen 3.134 N/A ILE 3.A N VAL 242.A O no hydrogen 2.698 N/A LEU 4.A N LEU 46.A O no hydrogen 3.030 N/A HIS 5.A N VAL 240.A O no hydrogen 2.830 N/A HIS 5.A ND1 TYR 201.A OH no hydrogen 2.909 N/A HIS 5.A NE2 THR 50.A OG1 no hydrogen 2.737 N/A THR 6.A N LEU 48.A O no hydrogen 3.059 N/A SER 7.A OG ASP 8.A OD1 no hydrogen 2.739 N/A SER 7.A OG THR 50.A OG1 no hydrogen 2.887 N/A SER 7.A OG GLY 51.A O no hydrogen 3.541 N/A ASP 8.A N GLY 51.A O no hydrogen 2.986 N/A TRP 9.A NE1 THR 6.A OG1 no hydrogen 3.014 N/A HIS 10.A N ASP 52.A O no hydrogen 3.054 N/A HIS 10.A ND1 HIS 55.A ND1 no hydrogen 3.093 N/A LEU 11.A N LEU 53.A O no hydrogen 2.760 N/A VAL 13.A N HIS 10.A O no hydrogen 3.169 N/A SER 15.A N VAL 22.A O no hydrogen 2.962 N/A SER 15.A OG ILE 228.A O no hydrogen 3.135 N/A SER 19.A N TRP 16.A O no hydrogen 3.246 N/A SER 19.A OG VAL 309.A O no hydrogen 2.555 N/A ARG 20.A N TRP 16.A O no hydrogen 2.667 N/A ARG 20.A NE LEU 308.A O no hydrogen 3.196 N/A VAL 22.A N SER 15.A O no hydrogen 3.031 N/A ARG 24.A N VAL 13.A O no hydrogen 3.354 N/A ARG 24.A NH1 SER 15.A OG no hydrogen 2.858 N/A ARG 24.A NH1 ARG 227.A O no hydrogen 3.027 N/A ARG 24.A NH2 GLU 27.A OE1 no hydrogen 2.783 N/A ARG 24.A NH2 ARG 227.A O no hydrogen 3.327 N/A ARG 25.A N ASP 23.A OD2 no hydrogen 3.252 N/A LEU 28.A N ARG 24.A O no hydrogen 3.020 N/A LYS 29.A N ARG 25.A O no hydrogen 3.007 N/A LYS 29.A NZ TYR 71.A OH no hydrogen 3.208 N/A LYS 30.A N GLU 26.A O no hydrogen 3.045 N/A ALA 31.A N GLU 27.A O no hydrogen 3.215 N/A LEU 32.A N LEU 28.A O no hydrogen 2.956 N/A ASP 33.A N LYS 29.A O no hydrogen 2.811 N/A LYS 34.A N LYS 30.A O no hydrogen 3.049 N/A LYS 34.A NZ ASP 256.A O no hydrogen 2.817 N/A VAL 35.A N ALA 31.A O no hydrogen 2.846 N/A VAL 36.A N LEU 32.A O no hydrogen 2.906 N/A GLU 37.A N ASP 33.A O no hydrogen 2.929 N/A GLU 38.A N LYS 34.A O no hydrogen 2.935 N/A ALA 39.A N VAL 35.A O no hydrogen 2.925 N/A GLU 40.A N VAL 36.A O no hydrogen 2.991 N/A LYS 41.A N GLU 37.A O no hydrogen 3.142 N/A ARG 42.A N GLU 38.A O no hydrogen 3.042 N/A ARG 42.A NE GLU 38.A OE2 no hydrogen 2.902 N/A ARG 42.A NH1 GLU 253.A OE1 no hydrogen 3.393 N/A ARG 42.A NH2 GLU 38.A OE2 no hydrogen 3.469 N/A ARG 42.A NH2 GLU 253.A OE2 no hydrogen 3.338 N/A GLU 43.A N GLU 40.A O no hydrogen 3.073 N/A VAL 44.A N ALA 39.A O no hydrogen 3.383 N/A ASP 45.A N LYS 2.A O no hydrogen 2.744 N/A LEU 46.A N LYS 2.A O no hydrogen 3.188 N/A ILE 47.A N PRO 80.A O no hydrogen 3.026 N/A LEU 48.A N LEU 4.A O no hydrogen 2.845 N/A LEU 49.A N VAL 82.A O no hydrogen 2.981 N/A THR 50.A N THR 6.A O no hydrogen 3.383 N/A THR 50.A OG1 HIS 5.A NE2 no hydrogen 2.737 N/A THR 50.A OG1 SER 7.A OG no hydrogen 2.887 N/A THR 50.A OG1 LEU 204.A O no hydrogen 3.075 N/A ASP 52.A N ASP 89.A OD1 no hydrogen 2.788 N/A LEU 54.A N ASP 89.A OD2 no hydrogen 2.766 N/A HIS 55.A N LEU 11.A O no hydrogen 3.203 N/A HIS 55.A ND1 HIS 10.A ND1 no hydrogen 3.093 N/A ARG 57.A NH1 ASP 135.A OD2 no hydrogen 3.436 N/A ASN 59.A N SER 56.A OG no hydrogen 3.116 N/A ALA 64.A N SER 61.A OG no hydrogen 2.973 N/A LEU 65.A N SER 61.A O no hydrogen 3.032 N/A HIS 66.A N VAL 62.A O no hydrogen 2.771 N/A ASP 67.A N VAL 63.A O no hydrogen 2.991 N/A LEU 68.A N ALA 64.A O no hydrogen 2.937 N/A LEU 69.A N LEU 65.A O no hydrogen 2.953 N/A ASP 70.A N HIS 66.A O no hydrogen 2.882 N/A TYR 71.A N ASP 67.A O no hydrogen 2.990 N/A TYR 71.A OH ASP 33.A OD1 no hydrogen 2.934 N/A LEU 72.A N LEU 68.A O no hydrogen 2.868 N/A LYS 73.A N LEU 69.A O no hydrogen 2.943 N/A ARG 74.A N ASP 70.A O no hydrogen 2.965 N/A ARG 74.A NH1 ASP 33.A OD1 no hydrogen 2.693 N/A MET 75.A N TYR 71.A O no hydrogen 2.914 N/A MET 76.A N LEU 72.A O no hydrogen 3.050 N/A ARG 77.A N LYS 73.A O no hydrogen 3.211 N/A ARG 77.A N ARG 74.A O no hydrogen 3.193 N/A THR 78.A N MET 75.A O no hydrogen 2.824 N/A ALA 79.A N MET 75.A O no hydrogen 2.893 N/A VAL 81.A N ASP 106.A O no hydrogen 2.954 N/A VAL 82.A N ILE 47.A O no hydrogen 2.842 N/A VAL 83.A N THR 108.A O no hydrogen 2.892 N/A LEU 84.A N LEU 49.A O no hydrogen 2.991 N/A GLY 86.A N ASP 89.A OD1 no hydrogen 2.902 N/A GLN 88.A N ASP 52.A OD1 no hydrogen 3.057 N/A LEU 93.A N TRP 90.A O no hydrogen 2.970 N/A LYS 94.A NZ GLY 86.A O no hydrogen 3.319 N/A LEU 95.A N LYS 91.A O no hydrogen 3.363 N/A PHE 96.A N GLY 92.A O no hydrogen 3.078 N/A GLY 97.A N LEU 93.A O no hydrogen 2.877 N/A ASN 98.A N LYS 94.A O no hydrogen 2.853 N/A PHE 99.A N LEU 95.A O no hydrogen 3.020 N/A VAL 100.A N PHE 96.A O no hydrogen 2.720 N/A SER 102.A OG PHE 99.A O no hydrogen 2.904 N/A ASP 106.A N SER 104.A OG no hydrogen 3.146 N/A THR 108.A N VAL 81.A O no hydrogen 3.128 N/A PHE 109.A N THR 101.A OG1 no hydrogen 3.324 N/A VAL 110.A N VAL 83.A O no hydrogen 2.828 N/A GLU 114.A N SER 112.A OG no hydrogen 3.183 N/A VAL 116.A N ILE 128.A O no hydrogen 3.256 N/A VAL 118.A N VAL 126.A O no hydrogen 2.830 N/A ALA 120.A N GLN 124.A O no hydrogen 3.026 N/A LYS 121.A N ASP 45.A O no hydrogen 2.901 N/A LYS 121.A NZ THR 78.A O no hydrogen 2.927 N/A ARG 122.A N GLN 124.A OE1 no hydrogen 3.233 N/A ARG 122.A NE ASP 45.A OD1 no hydrogen 2.912 N/A ARG 122.A NH2 ASP 45.A OD2 no hydrogen 2.981 N/A GLY 123.A N ALA 120.A O no hydrogen 2.961 N/A GLN 124.A N GLN 124.A OE1 no hydrogen 2.737 N/A LYS 125.A N ASP 167.A OD2 no hydrogen 2.694 N/A LYS 125.A NZ GLU 119.A OE2 no hydrogen 3.311 N/A VAL 126.A N VAL 118.A O no hydrogen 2.795 N/A ARG 127.A N PHE 168.A O no hydrogen 2.732 N/A ARG 127.A NE GLU 161.A O no hydrogen 3.424 N/A ARG 127.A NH1 ASP 117.A OD1 no hydrogen 3.064 N/A ARG 127.A NH1 ASP 117.A OD2 no hydrogen 3.134 N/A ARG 127.A NH2 GLU 161.A O no hydrogen 3.342 N/A ILE 128.A N VAL 116.A O no hydrogen 2.938 N/A LEU 129.A N ILE 170.A O no hydrogen 2.829 N/A PHE 131.A N MET 172.A O no hydrogen 2.658 N/A TYR 133.A OH GLU 187.A OE1 no hydrogen 2.983 N/A SER 137.A N ASP 135.A OD1 no hydrogen 3.283 N/A GLU 138.A N ASP 135.A O no hydrogen 3.064 N/A ALA 139.A N GLU 136.A O no hydrogen 3.081 N/A LEU 140.A N GLU 136.A O no hydrogen 3.108 N/A ARG 141.A N SER 137.A O no hydrogen 3.027 N/A LYS 142.A NZ GLU 144.A OE2 no hydrogen 2.218 N/A ASN 143.A N ALA 139.A O no hydrogen 3.274 N/A ASN 143.A ND2 ASN 143.A O no hydrogen 2.562 N/A ARG 148.A N ASP 146.A OD1 no hydrogen 3.328 N/A ARG 148.A NH1 ILE 189.A O no hydrogen 3.111 N/A ARG 148.A NH2 ILE 189.A O no hydrogen 2.766 N/A PHE 150.A N PHE 147.A O no hydrogen 2.913 N/A LEU 151.A N PHE 147.A O no hydrogen 3.128 N/A GLU 152.A N ARG 148.A O no hydrogen 2.974 N/A SER 153.A OG PHE 150.A O no hydrogen 2.972 N/A ARG 154.A N PHE 150.A O no hydrogen 3.232 N/A ARG 154.A N LEU 151.A O no hydrogen 3.086 N/A LEU 155.A N LEU 151.A O no hydrogen 2.981 N/A ASN 156.A N GLU 152.A O no hydrogen 3.083 N/A LYS 157.A N SER 153.A O no hydrogen 3.270 N/A LEU 158.A N ARG 154.A O no hydrogen 2.964 N/A TYR 159.A N LEU 155.A O no hydrogen 3.249 N/A GLU 160.A N ASN 156.A O no hydrogen 2.853 N/A GLU 161.A N LYS 157.A O no hydrogen 2.912 N/A ALA 162.A N LEU 158.A O no hydrogen 2.800 N/A LEU 163.A N TYR 159.A O no hydrogen 3.311 N/A LYS 164.A N GLU 161.A O no hydrogen 3.083 N/A LYS 164.A NZ GLU 160.A OE1 no hydrogen 3.192 N/A LYS 164.A NZ GLU 161.A OE1 no hydrogen 3.340 N/A LYS 165.A N ALA 162.A O no hydrogen 3.220 N/A LYS 165.A NZ ASP 200.A OD1 no hydrogen 3.478 N/A LYS 165.A NZ ASP 200.A OD2 no hydrogen 3.541 N/A ASP 167.A N LYS 125.A O no hydrogen 3.310 N/A PHE 168.A N LYS 125.A O no hydrogen 3.174 N/A ALA 169.A N ASP 200.A OD1 no hydrogen 2.960 N/A ILE 170.A N ARG 127.A O no hydrogen 2.699 N/A PHE 171.A N TYR 201.A O no hydrogen 2.936 N/A MET 172.A N LEU 129.A O no hydrogen 2.970 N/A GLY 173.A N ALA 203.A O no hydrogen 2.944 N/A HIS 174.A N PHE 131.A O no hydrogen 3.132 N/A HIS 174.A ND1 THR 50.A O no hydrogen 2.728 N/A PHE 175.A N GLY 205.A O no hydrogen 3.137 N/A THR 176.A OG1 GLU 187.A OE1 no hydrogen 3.047 N/A VAL 177.A N TYR 221.A OH no hydrogen 3.253 N/A GLU 178.A N ILE 190.A O no hydrogen 3.228 N/A GLY 179.A N VAL 177.A O no hydrogen 2.278 N/A ILE 190.A N THR 176.A O no hydrogen 2.880 N/A ARG 192.A NE GLU 178.A OE1 no hydrogen 3.424 N/A ARG 192.A NE GLU 178.A OE2 no hydrogen 2.641 N/A ARG 192.A NH1 ILE 213.A O no hydrogen 2.787 N/A ARG 192.A NH2 GLU 178.A OE2 no hydrogen 2.902 N/A ALA 193.A N ASN 191.A OD1 no hydrogen 2.946 N/A LEU 194.A N ASN 191.A O no hydrogen 2.865 N/A ILE 195.A N ARG 192.A O no hydrogen 3.250 N/A ASP 200.A N ALA 169.A O no hydrogen 2.860 N/A TYR 201.A OH HIS 5.A ND1 no hydrogen 2.909 N/A ALA 202.A N LEU 218.A O no hydrogen 2.856 N/A ALA 203.A N PHE 171.A O no hydrogen 2.703 N/A LEU 204.A N ILE 220.A O no hydrogen 2.975 N/A GLY 205.A N GLY 173.A O no hydrogen 3.041 N/A HIS 206.A N ASP 8.A OD1 no hydrogen 3.143 N/A HIS 206.A ND1 ASN 87.A OD1 no hydrogen 3.192 N/A HIS 206.A NE2 GLU 187.A OE2 no hydrogen 2.790 N/A HIS 208.A ND1 GLU 232.A OE1 no hydrogen 3.058 N/A SER 209.A OG ASP 235.A OD2 no hydrogen 2.722 N/A PHE 210.A N GLU 236.A O no hydrogen 3.088 N/A ARG 211.A N TYR 221.A O no hydrogen 2.992 N/A ILE 213.A N THR 219.A O no hydrogen 2.789 N/A GLN 214.A NE2 ARG 192.A O no hydrogen 3.246 N/A GLN 214.A NE2 THR 219.A OG1 no hydrogen 3.169 N/A THR 219.A N GLN 214.A O no hydrogen 3.060 N/A THR 219.A OG1 PRO 217.A O no hydrogen 2.815 N/A ILE 220.A N ALA 202.A O no hydrogen 3.319 N/A TYR 221.A N ARG 211.A O no hydrogen 3.035 N/A TYR 221.A OH PHE 175.A O no hydrogen 2.591 N/A SER 224.A N HIS 208.A O no hydrogen 2.832 N/A SER 224.A OG HIS 208.A O no hydrogen 3.121 N/A ARG 227.A NE GLU 232.A O no hydrogen 2.967 N/A ILE 228.A N GLU 232.A OE2 no hydrogen 3.298 N/A GLU 232.A N ASP 229.A O no hydrogen 3.245 N/A LYS 237.A NZ HIS 208.A O no hydrogen 3.158 N/A LYS 237.A NZ SER 224.A OG no hydrogen 3.250 N/A LYS 237.A NZ ILE 226.A O no hydrogen 3.307 N/A LYS 237.A NZ GLU 232.A OE2 no hydrogen 2.719 N/A LYS 237.A NZ ASP 235.A OD2 no hydrogen 3.253 N/A GLY 238.A N SER 224.A O no hydrogen 2.891 N/A ALA 239.A N ILE 255.A O no hydrogen 3.009 N/A VAL 240.A N HIS 5.A O no hydrogen 3.007 N/A PHE 241.A N GLU 253.A O no hydrogen 2.874 N/A VAL 242.A N ILE 3.A O no hydrogen 2.847 N/A GLU 243.A N ARG 251.A O no hydrogen 2.846 N/A LEU 244.A N MET 1.A O no hydrogen 2.925 N/A GLU 248.A N LYS 245.A O no hydrogen 2.930 N/A ARG 251.A N GLU 243.A O no hydrogen 3.129 N/A TYR 252.A OH GLU 212.A OE2 no hydrogen 2.910 N/A GLU 253.A N PHE 241.A O no hydrogen 2.993 N/A ARG 254.A NH1 LYS 237.A O no hydrogen 3.093 N/A ARG 254.A NH2 ASP 256.A OD1 no hydrogen 2.636 N/A ILE 255.A N ALA 239.A O no hydrogen 2.926 N/A ALA 257.A N LYS 237.A O no hydrogen 3.013 N/A SER 258.A N ASP 256.A OD2 no hydrogen 2.856 N/A LEU 260.A N GLU 27.A OE2 no hydrogen 2.912 N/A LYS 263.A N TYR 288.A O no hydrogen 3.054 N/A LYS 263.A NZ SER 281.A O no hydrogen 2.836 N/A THR 264.A OG1 GLU 233.A OE2 no hydrogen 2.599 N/A LEU 265.A N ARG 290.A O no hydrogen 2.800 N/A TYR 267.A N VAL 292.A O no hydrogen 3.060 N/A TYR 267.A OH SER 277.A OG no hydrogen 2.883 N/A LYS 268.A NZ GLU 294.A OE2 no hydrogen 3.313 N/A LYS 276.A N THR 272.A O no hydrogen 3.260 N/A SER 277.A N SER 273.A O no hydrogen 2.849 N/A SER 277.A OG TYR 267.A OH no hydrogen 2.883 N/A ILE 278.A N ALA 274.A O no hydrogen 2.737 N/A ARG 279.A N LEU 275.A O no hydrogen 2.992 N/A ASP 280.A N LYS 276.A O no hydrogen 2.755 N/A SER 281.A N SER 277.A O no hydrogen 2.788 N/A CYS 282.A N ILE 278.A O no hydrogen 2.999 N/A CYS 282.A SG ILE 278.A O no hydrogen 3.384 N/A ARG 283.A NH2 ASP 280.A OD1 no hydrogen 2.519 N/A PHE 285.A N CYS 282.A O no hydrogen 3.341 N/A TYR 288.A N PRO 261.A O no hydrogen 2.997 N/A VAL 289.A N ASN 307.A O no hydrogen 2.892 N/A ARG 290.A N LYS 263.A O no hydrogen 2.919 N/A ARG 290.A NE THR 264.A OG1 no hydrogen 2.855 N/A ARG 290.A NH1 GLU 312.A OE2 no hydrogen 3.064 N/A ARG 290.A NH2 THR 264.A OG1 no hydrogen 2.976 N/A VAL 291.A N LYS 310.A O no hydrogen 2.903 N/A VAL 292.A N LEU 265.A O no hydrogen 2.898 N/A TYR 293.A N GLU 312.A O no hydrogen 3.435 N/A GLU 294.A N TYR 267.A O no hydrogen 3.206 N/A GLU 294.A N LYS 268.A O no hydrogen 3.026 N/A GLU 295.A N LYS 268.A O no hydrogen 2.812 N/A ASP 296.A N ASP 296.A OD1 no hydrogen 2.369 N/A SER 297.A OG ASP 296.A O no hydrogen 2.623 N/A LEU 301.A N PRO 299.A O no hydrogen 3.063 N/A GLY 303.A N ASP 300.A OD1 no hydrogen 3.361 N/A GLU 304.A N LEU 301.A O no hydrogen 2.851 N/A ILE 305.A N LEU 301.A O no hydrogen 2.791 N/A ASN 307.A ND2 CYS 282.A O no hydrogen 3.103 N/A ASN 307.A ND2 GLY 287.A O no hydrogen 3.369 N/A LEU 308.A N ILE 305.A O no hydrogen 3.295 N/A VAL 309.A N VAL 289.A O no hydrogen 2.851 N/A GLU 312.A N VAL 291.A O no hydrogen 2.992 N/A