Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ff4_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N ALA 2.A O no hydrogen 3.168 N/A TRP 14.A N GLN 268.A OE1 no hydrogen 2.735 N/A LYS 15.A N ARG 310.A O no hydrogen 2.896 N/A TYR 17.A N VAL 308.A O no hydrogen 3.047 N/A ARG 18.A N VAL 308.A O no hydrogen 3.425 N/A ILE 20.A N ILE 306.A O no hydrogen 2.577 N/A LEU 24.A N ASP 45.A OD2 no hydrogen 3.146 N/A CYS 29.A SG ILE 30.A O no hydrogen 3.965 N/A CYS 29.A SG VAL 72.A O no hydrogen 3.883 N/A ALA 31.A N VAL 40.A O no hydrogen 2.977 N/A GLU 33.A N TRP 38.A O no hydrogen 3.079 N/A GLN 37.A N GLU 33.A OE1 no hydrogen 3.051 N/A PHE 39.A N TRP 51.A O no hydrogen 2.958 N/A VAL 40.A N ALA 31.A O no hydrogen 2.829 N/A THR 41.A N LYS 49.A O no hydrogen 2.954 N/A THR 41.A OG1 CYS 29.A O no hydrogen 3.187 N/A THR 41.A OG1 GLY 42.A O no hydrogen 2.444 N/A GLY 42.A N CYS 29.A O no hydrogen 3.145 N/A SER 43.A OG GLY 42.A O no hydrogen 2.607 N/A ALA 44.A N TRP 26.A O no hydrogen 3.050 N/A LYS 49.A N THR 41.A O no hydrogen 2.892 N/A ILE 50.A N LEU 60.A O no hydrogen 2.983 N/A TRP 51.A N PHE 39.A O no hydrogen 2.860 N/A ASP 52.A N LYS 57.A O no hydrogen 3.007 N/A LEU 53.A N GLN 37.A O no hydrogen 3.212 N/A SER 55.A OG ASP 52.A OD2 no hydrogen 2.951 N/A GLY 56.A N ASP 52.A O no hydrogen 2.989 N/A LYS 59.A N ILE 50.A O no hydrogen 2.989 N/A LEU 62.A N ILE 48.A O no hydrogen 2.858 N/A THR 63.A OG1 ARG 46.A O no hydrogen 3.314 N/A HIS 65.A ND1 ASP 87.A OD2 no hydrogen 3.100 N/A ILE 66.A N ASP 87.A OD2 no hydrogen 2.947 N/A THR 68.A N SER 67.A OG no hydrogen 2.620 N/A THR 68.A OG1 SER 43.A O no hydrogen 2.769 N/A VAL 69.A N SER 43.A O no hydrogen 2.618 N/A GLY 71.A N CYS 84.A O no hydrogen 2.921 N/A ILE 73.A N PHE 82.A O no hydrogen 2.986 N/A SER 75.A N TYR 80.A O no hydrogen 3.413 N/A SER 78.A N SER 75.A OG no hydrogen 3.370 N/A LEU 81.A N TRP 93.A O no hydrogen 2.923 N/A PHE 82.A N ILE 73.A O no hydrogen 2.829 N/A SER 83.A N LYS 91.A O no hydrogen 2.944 N/A CYS 84.A N GLY 71.A O no hydrogen 2.880 N/A CYS 84.A SG GLY 71.A O no hydrogen 3.716 N/A CYS 84.A SG TYR 112.A O no hydrogen 3.914 N/A GLY 85.A N GLN 89.A O no hydrogen 3.338 N/A GLU 86.A N THR 68.A O no hydrogen 3.161 N/A GLN 89.A N ASP 87.A OD1 no hydrogen 3.233 N/A LYS 91.A N SER 83.A O no hydrogen 2.908 N/A LYS 91.A NZ GLN 89.A OE1 no hydrogen 3.123 N/A ASP 94.A N LYS 99.A O no hydrogen 2.866 N/A LEU 95.A N PRO 79.A O no hydrogen 3.426 N/A GLU 96.A N ASP 94.A OD1 no hydrogen 3.467 N/A ILE 101.A N CYS 92.A O no hydrogen 3.030 N/A ALA 110.A N SER 109.A OG no hydrogen 2.537 N/A TYR 112.A N CYS 126.A O no hydrogen 2.710 N/A GLY 113.A N CYS 126.A O no hydrogen 3.034 N/A ASP 115.A N VAL 124.A O no hydrogen 2.902 N/A THR 119.A N HIS 117.A ND1 no hydrogen 3.156 N/A ILE 120.A N HIS 117.A ND1 no hydrogen 3.232 N/A LEU 123.A N TRP 135.A O no hydrogen 2.936 N/A VAL 124.A N ASP 115.A O no hydrogen 2.949 N/A THR 125.A N ARG 133.A O no hydrogen 2.911 N/A CYS 126.A N GLY 113.A O no hydrogen 2.815 N/A CYS 126.A SG GLY 113.A O no hydrogen 3.608 N/A CYS 126.A SG VAL 153.A O no hydrogen 3.243 N/A ARG 128.A N ALA 110.A O no hydrogen 2.947 N/A THR 131.A N ASP 129.A OD1 no hydrogen 3.036 N/A THR 131.A OG1 ASP 129.A OD1 no hydrogen 3.397 N/A THR 131.A OG1 ASP 129.A OD2 no hydrogen 3.498 N/A ARG 133.A N THR 125.A O no hydrogen 2.823 N/A ILE 134.A N HIS 144.A O no hydrogen 2.806 N/A TRP 135.A N LEU 123.A O no hydrogen 2.795 N/A ASP 136.A N ALA 141.A O no hydrogen 2.843 N/A THR 139.A N ASP 136.A O no hydrogen 3.366 N/A THR 139.A OG1 ASP 136.A OD2 no hydrogen 2.689 N/A SER 142.A OG HIS 144.A O no hydrogen 3.372 N/A VAL 143.A N ILE 134.A O no hydrogen 2.574 N/A HIS 144.A NE2 VAL 180.A O no hydrogen 2.822 N/A THR 145.A OG1 SER 147.A OG no hydrogen 3.231 N/A LEU 146.A N ALA 132.A O no hydrogen 2.521 N/A SER 147.A N THR 145.A O no hydrogen 3.039 N/A SER 147.A OG THR 145.A OG1 no hydrogen 3.231 N/A HIS 149.A NE2 THR 167.A OG1 no hydrogen 3.021 N/A THR 150.A N ASP 171.A OD2 no hydrogen 2.748 N/A THR 150.A OG1 ASP 171.A OD2 no hydrogen 2.475 N/A VAL 153.A N SER 127.A O no hydrogen 3.138 N/A ALA 154.A N GLY 168.A O no hydrogen 2.974 N/A THR 155.A N GLY 168.A O no hydrogen 3.267 N/A ARG 157.A N ILE 166.A O no hydrogen 3.301 N/A ARG 157.A NE VAL 198.A O no hydrogen 3.219 N/A CYS 158.A N ASP 115.A OD2 no hydrogen 3.162 N/A CYS 158.A SG ASP 115.A OD2 no hydrogen 3.249 N/A CYS 158.A SG LEU 116.A O no hydrogen 3.320 N/A GLN 159.A N GLN 164.A O no hydrogen 3.224 N/A GLN 159.A NE2 PRO 163.A O no hydrogen 2.580 N/A GLN 164.A NE2 ALA 160.A O no hydrogen 3.519 N/A ILE 166.A N ARG 157.A O no hydrogen 3.150 N/A THR 167.A N ARG 175.A O no hydrogen 2.963 N/A THR 167.A OG1 HIS 149.A NE2 no hydrogen 3.021 N/A THR 167.A OG1 ARG 175.A O no hydrogen 3.231 N/A GLY 168.A N THR 155.A O no hydrogen 3.219 N/A SER 169.A N THR 173.A O no hydrogen 3.025 N/A SER 169.A OG ALA 152.A O no hydrogen 2.314 N/A SER 169.A OG ASP 171.A OD1 no hydrogen 2.802 N/A HIS 170.A N ALA 152.A O no hydrogen 2.511 N/A ASP 171.A N SER 169.A OG no hydrogen 3.139 N/A THR 172.A OG1 ASP 171.A O no hydrogen 2.625 N/A THR 173.A OG1 ILE 174.A O no hydrogen 2.734 N/A THR 173.A OG1 THR 187.A OG1 no hydrogen 2.862 N/A THR 173.A OG1 LEU 188.A O no hydrogen 3.003 N/A ILE 174.A N LEU 188.A O no hydrogen 3.042 N/A ARG 175.A N THR 167.A O no hydrogen 2.933 N/A LEU 176.A N VAL 186.A O no hydrogen 2.842 N/A TRP 177.A N ILE 165.A O no hydrogen 2.926 N/A TRP 177.A NE1 THR 167.A OG1 no hydrogen 2.418 N/A ASP 178.A N LYS 183.A O no hydrogen 2.968 N/A VAL 180.A N ASP 178.A OD1 no hydrogen 3.056 N/A GLY 182.A N ASP 178.A O no hydrogen 3.095 N/A THR 184.A OG1 LEU 176.A O no hydrogen 3.173 N/A ARG 185.A N LEU 176.A O no hydrogen 2.602 N/A ARG 185.A NH2 GLU 162.A OE1 no hydrogen 2.984 N/A VAL 186.A N LEU 176.A O no hydrogen 3.075 N/A THR 187.A OG1 ILE 174.A O no hydrogen 2.980 N/A LEU 188.A N ILE 174.A O no hydrogen 2.822 N/A HIS 191.A ND1 SER 211.A OG no hydrogen 2.517 N/A LYS 193.A N ASP 213.A OD1 no hydrogen 3.313 N/A ARG 196.A N GLY 210.A O no hydrogen 2.917 N/A ARG 196.A NE HIS 170.A NE2 no hydrogen 3.338 N/A ARG 196.A NH1 ASN 237.A OD1 no hydrogen 2.786 N/A VAL 199.A N ALA 208.A O no hydrogen 3.044 N/A HIS 201.A ND1 ARG 203.A O no hydrogen 2.382 N/A ALA 208.A N VAL 199.A O no hydrogen 3.109 N/A SER 209.A N LYS 216.A O no hydrogen 3.380 N/A SER 209.A OG HIS 191.A NE2 no hydrogen 2.765 N/A SER 211.A OG HIS 191.A ND1 no hydrogen 2.517 N/A SER 211.A OG ASP 213.A O no hydrogen 2.376 N/A SER 211.A OG ASP 213.A OD1 no hydrogen 3.353 N/A LYS 216.A N SER 209.A O no hydrogen 3.230 N/A TRP 218.A N PHE 207.A O no hydrogen 2.759 N/A ILE 226.A N GLN 217.A O no hydrogen 3.099 N/A GLN 227.A N GLN 217.A O no hydrogen 3.402 N/A GLN 227.A NE2 THR 263.A O no hydrogen 2.308 N/A ASN 228.A ND2 ASN 214.A OD1 no hydrogen 2.572 N/A LEU 229.A N ILE 215.A O no hydrogen 2.548 N/A GLY 231.A N SER 230.A OG no hydrogen 2.452 N/A HIS 232.A N SER 230.A O no hydrogen 2.903 N/A ASN 237.A N GLY 250.A O no hydrogen 2.746 N/A ASN 237.A ND2 ILE 285.A O no hydrogen 2.810 N/A THR 238.A N GLY 250.A O no hydrogen 2.947 N/A THR 238.A OG1 GLY 250.A O no hydrogen 3.476 N/A THR 240.A N VAL 248.A O no hydrogen 2.966 N/A THR 240.A OG1 CYS 288.A O no hydrogen 2.870 N/A ASN 242.A N VAL 246.A O no hydrogen 2.958 N/A ASN 242.A ND2 GLU 294.A O no hydrogen 3.538 N/A SER 243.A OG ASN 242.A OD1 no hydrogen 3.284 N/A ASP 244.A N ASN 242.A OD1 no hydrogen 3.460 N/A GLY 245.A N ASN 242.A O no hydrogen 3.038 N/A VAL 248.A N THR 240.A O no hydrogen 2.908 N/A SER 249.A N HIS 257.A O no hydrogen 2.929 N/A SER 249.A OG HIS 257.A O no hydrogen 3.226 N/A GLY 250.A N THR 238.A O no hydrogen 2.931 N/A ALA 251.A N THR 255.A O no hydrogen 3.265 N/A ASP 252.A N ILE 235.A O no hydrogen 3.322 N/A THR 255.A N ASN 253.A OD1 no hydrogen 3.437 N/A THR 255.A OG1 ASN 253.A OD1 no hydrogen 2.532 N/A MET 256.A N VAL 270.A O no hydrogen 3.028 N/A HIS 257.A N SER 249.A O no hydrogen 2.942 N/A TRP 259.A NE1 SER 249.A OG no hydrogen 3.045 N/A TRP 261.A N GLY 245.A O no hydrogen 2.462 N/A THR 263.A N ASP 260.A OD2 no hydrogen 3.420 N/A GLY 264.A N ASP 260.A OD1 no hydrogen 2.883 N/A TYR 265.A N ASP 260.A OD1 no hydrogen 2.703 N/A ASN 266.A ND2 LEU 258.A O no hydrogen 2.908 N/A PHE 267.A N LEU 258.A O no hydrogen 2.763 N/A GLN 268.A NE2 TRP 14.A O no hydrogen 2.623 N/A ARG 269.A NE HIS 257.A NE2 no hydrogen 3.210 N/A VAL 270.A N MET 256.A O no hydrogen 3.094 N/A GLN 275.A N GLN 275.A OE1 no hydrogen 2.975 N/A GLN 275.A NE2 ASP 303.A O no hydrogen 2.912 N/A SER 278.A N GLN 275.A O no hydrogen 3.055 N/A SER 283.A OG ASN 253.A O no hydrogen 3.301 N/A ILE 285.A N ALA 251.A O no hydrogen 2.706 N/A PHE 286.A N ALA 300.A O no hydrogen 2.815 N/A ALA 287.A N ALA 300.A O no hydrogen 2.991 N/A CYS 288.A SG THR 238.A OG1 no hydrogen 3.213 N/A CYS 288.A SG THR 240.A OG1 no hydrogen 2.734 N/A ALA 289.A N LEU 298.A O no hydrogen 2.964 N/A ASP 291.A N ARG 296.A O no hydrogen 2.871 N/A GLN 292.A N ASP 291.A OD1 no hydrogen 2.507 N/A SER 293.A OG ASP 291.A OD2 no hydrogen 2.809 N/A GLU 294.A N ASP 291.A O no hydrogen 3.101 N/A SER 295.A N SER 293.A OG no hydrogen 2.961 N/A ARG 296.A NH2 SER 295.A O no hydrogen 3.438 N/A LEU 297.A N TYR 309.A O no hydrogen 2.975 N/A LEU 298.A N ALA 289.A O no hydrogen 2.953 N/A THR 299.A N LYS 307.A O no hydrogen 2.857 N/A ALA 300.A N ALA 287.A O no hydrogen 2.797 N/A GLU 301.A N THR 305.A O no hydrogen 3.021 N/A ALA 302.A N GLY 284.A O no hydrogen 2.645 N/A THR 305.A OG1 ASP 303.A O no hydrogen 2.602 N/A ILE 306.A N ILE 20.A O no hydrogen 2.912 N/A LYS 307.A N THR 299.A O no hydrogen 2.840 N/A VAL 308.A N ARG 18.A O no hydrogen 2.891 N/A TYR 309.A N LEU 297.A O no hydrogen 2.805 N/A ARG 310.A N LYS 15.A O no hydrogen 2.890 N/A THR 314.A OG1 GLU 317.A OE1 no hydrogen 2.618 N/A THR 314.A OG1 GLU 317.A OE2 no hydrogen 2.798 N/A