Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wf8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 GLU 5.A OE1 no hydrogen 3.061 N/A CYS 6.A N ARG 3.A O no hydrogen 2.986 N/A PHE 7.A N PRO 4.A O no hydrogen 3.105 N/A GLU 8.A N ARG 25.A O no hydrogen 2.938 N/A LEU 10.A N GLN 23.A O no hydrogen 2.757 N/A ARG 11.A NH1 TYR 90.A OH no hydrogen 2.858 N/A LEU 13.A N VAL 21.A O no hydrogen 2.774 N/A GLY 14.A N VAL 21.A O no hydrogen 3.341 N/A GLY 16.A N GLY 19.A O no hydrogen 3.005 N/A TYR 18.A OH ASP 52.A OD2 no hydrogen 3.090 N/A TYR 18.A OH HIS 167.A NE2 no hydrogen 2.820 N/A LYS 20.A N VAL 40.A O no hydrogen 2.937 N/A VAL 21.A N GLY 14.A O no hydrogen 2.824 N/A PHE 22.A N MET 38.A O no hydrogen 2.826 N/A GLN 23.A N ARG 11.A O no hydrogen 2.812 N/A VAL 24.A N PHE 36.A O no hydrogen 2.945 N/A ARG 25.A N GLU 8.A O no hydrogen 3.005 N/A ARG 25.A NE GLU 8.A OE1 no hydrogen 2.771 N/A ARG 25.A NH2 GLU 8.A OE1 no hydrogen 3.182 N/A ARG 25.A NH2 GLU 8.A OE2 no hydrogen 3.126 N/A LYS 26.A N LYS 34.A O no hydrogen 3.098 N/A LYS 26.A NZ THR 28.A O no hydrogen 2.899 N/A LYS 26.A NZ ALA 30.A O no hydrogen 2.963 N/A VAL 27.A N CYS 6.A O no hydrogen 2.897 N/A THR 32.A OG1 GLY 29.A O no hydrogen 2.703 N/A GLY 33.A N LYS 26.A O no hydrogen 2.765 N/A LYS 34.A N ASN 31.A O no hydrogen 2.906 N/A PHE 36.A N VAL 24.A O no hydrogen 2.858 N/A ALA 37.A N LEU 88.A O no hydrogen 2.773 N/A MET 38.A N PHE 22.A O no hydrogen 2.739 N/A LYS 39.A N LEU 86.A O no hydrogen 2.875 N/A LYS 39.A NZ GLU 59.A OE2 no hydrogen 2.652 N/A VAL 40.A N LYS 20.A O no hydrogen 2.720 N/A LEU 41.A N LEU 84.A O no hydrogen 2.880 N/A LYS 42.A N TYR 18.A O no hydrogen 2.946 N/A LYS 43.A N GLY 82.A O no hydrogen 2.973 N/A LYS 43.A NZ THR 80.A O no hydrogen 2.835 N/A MET 45.A N LYS 42.A O no hydrogen 2.916 N/A ILE 46.A N LYS 43.A O no hydrogen 2.819 N/A VAL 47.A N LYS 43.A O no hydrogen 2.691 N/A ASN 49.A N ILE 46.A O no hydrogen 3.011 N/A ASP 52.A N ASN 49.A OD1 no hydrogen 3.019 N/A THR 53.A N ASN 49.A O no hydrogen 2.937 N/A THR 53.A OG1 ILE 46.A O no hydrogen 3.298 N/A THR 53.A OG1 ASN 49.A O no hydrogen 3.200 N/A ALA 54.A N ALA 50.A O no hydrogen 3.016 N/A HIS 55.A N LYS 51.A O no hydrogen 2.900 N/A HIS 55.A ND1 HIS 55.A O no hydrogen 2.817 N/A THR 56.A N ASP 52.A O no hydrogen 2.870 N/A THR 56.A OG1 ASP 52.A O no hydrogen 3.101 N/A LYS 57.A N THR 53.A O no hydrogen 3.106 N/A ALA 58.A N ALA 54.A O no hydrogen 2.982 N/A GLU 59.A N HIS 55.A O no hydrogen 2.996 N/A ARG 60.A N THR 56.A O no hydrogen 3.268 N/A ASN 61.A N LYS 57.A O no hydrogen 3.023 N/A ILE 62.A N ALA 58.A O no hydrogen 2.857 N/A LEU 63.A N GLU 59.A O no hydrogen 2.965 N/A GLU 64.A N ARG 60.A O no hydrogen 2.929 N/A GLU 65.A N ASN 61.A O no hydrogen 3.244 N/A GLU 65.A N ILE 62.A O no hydrogen 3.058 N/A VAL 66.A N ILE 62.A O no hydrogen 2.928 N/A LYS 67.A N HIS 124.A NE2 no hydrogen 3.324 N/A PHE 70.A N HIS 68.A ND1 no hydrogen 3.170 N/A ILE 71.A N HIS 68.A O no hydrogen 3.458 N/A VAL 72.A N LEU 150.A O no hydrogen 3.071 N/A ASP 73.A N GLU 89.A OE2 no hydrogen 2.694 N/A ILE 75.A N ILE 87.A O no hydrogen 2.747 N/A TYR 76.A N ILE 87.A O no hydrogen 3.349 N/A PHE 78.A N TYR 85.A O no hydrogen 3.160 N/A THR 80.A N LYS 83.A O no hydrogen 2.772 N/A THR 80.A OG1 LYS 83.A O no hydrogen 3.348 N/A LYS 83.A N THR 80.A OG1 no hydrogen 3.062 N/A LEU 84.A N LEU 41.A O no hydrogen 2.907 N/A TYR 85.A N PHE 78.A O no hydrogen 2.773 N/A LEU 86.A N LYS 39.A O no hydrogen 2.955 N/A ILE 87.A N TYR 76.A O no hydrogen 2.773 N/A LEU 88.A N ALA 37.A O no hydrogen 2.711 N/A GLU 89.A N ASP 73.A O no hydrogen 3.052 N/A GLY 93.A N LEU 142.A O no hydrogen 2.852 N/A LEU 96.A N ILE 140.A O no hydrogen 2.648 N/A PHE 97.A N PRO 137.A O no hydrogen 3.257 N/A MET 98.A N GLU 95.A O no hydrogen 3.003 N/A GLN 99.A N LEU 96.A O no hydrogen 2.993 N/A LEU 100.A N LEU 96.A O no hydrogen 3.096 N/A GLU 101.A N PHE 97.A O no hydrogen 3.051 N/A ARG 102.A N MET 98.A O no hydrogen 3.185 N/A ARG 102.A NH2 GLN 99.A OE1 no hydrogen 2.195 N/A GLU 103.A N GLN 99.A O no hydrogen 3.067 N/A GLY 104.A N LEU 100.A O no hydrogen 2.704 N/A PHE 106.A N MET 201.A O no hydrogen 2.828 N/A ALA 111.A N MET 107.A O no hydrogen 3.037 N/A CYS 112.A N GLU 108.A O no hydrogen 2.737 N/A CYS 112.A SG PHE 266.A O no hydrogen 3.481 N/A PHE 113.A N ASP 109.A O no hydrogen 3.121 N/A TYR 114.A N THR 110.A O no hydrogen 3.354 N/A LEU 115.A N ALA 111.A O no hydrogen 2.935 N/A ALA 116.A N CYS 112.A O no hydrogen 2.897 N/A GLU 117.A N PHE 113.A O no hydrogen 3.141 N/A ILE 118.A N TYR 114.A O no hydrogen 2.955 N/A SER 119.A N LEU 115.A O no hydrogen 2.919 N/A SER 119.A OG ALA 116.A O no hydrogen 2.654 N/A MET 120.A N ALA 116.A O no hydrogen 3.218 N/A ALA 121.A N GLU 117.A O no hydrogen 3.158 N/A LEU 122.A N ILE 118.A O no hydrogen 2.867 N/A GLY 123.A N SER 119.A O no hydrogen 2.998 N/A HIS 124.A N MET 120.A O no hydrogen 3.066 N/A LEU 125.A N ALA 121.A O no hydrogen 3.071 N/A HIS 126.A N LEU 122.A O no hydrogen 2.787 N/A HIS 126.A ND1 ASP 257.A OD1 no hydrogen 2.934 N/A HIS 126.A NE2 ASP 190.A OD2 no hydrogen 2.577 N/A GLN 127.A N GLY 123.A O no hydrogen 3.109 N/A LYS 128.A N LEU 125.A O no hydrogen 2.929 N/A LYS 128.A NZ GLU 65.A OE2 no hydrogen 2.961 N/A GLY 129.A N HIS 126.A O no hydrogen 2.937 N/A ILE 130.A N LEU 125.A O no hydrogen 2.991 N/A TYR 132.A N ASP 190.A OD2 no hydrogen 2.855 N/A TYR 132.A OH THR 151.A O no hydrogen 2.428 N/A ARG 133.A N ASP 190.A OD1 no hydrogen 2.640 N/A ASP 134.A N TYR 132.A O no hydrogen 2.613 N/A ASN 139.A N LYS 136.A O no hydrogen 2.777 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.518 N/A ASN 139.A ND2 ASP 152.A OD2 no hydrogen 3.262 N/A ILE 140.A N PRO 137.A O no hydrogen 3.251 N/A MET 141.A N LYS 149.A O no hydrogen 2.928 N/A LEU 142.A N GLY 94.A O no hydrogen 2.874 N/A ASN 143.A N HIS 147.A O no hydrogen 3.007 N/A ASN 143.A ND2 GLN 145.A OE1 no hydrogen 3.362 N/A GLN 145.A N ASN 143.A OD1 no hydrogen 3.029 N/A GLY 146.A N ASN 143.A O no hydrogen 2.974 N/A GLY 146.A N ASN 143.A OD1 no hydrogen 2.873 N/A HIS 147.A N ASN 143.A OD1 no hydrogen 2.855 N/A HIS 147.A ND1 GLU 117.A OE2 no hydrogen 2.833 N/A VAL 148.A N GLU 117.A OE1 no hydrogen 2.781 N/A LYS 149.A N MET 141.A O no hydrogen 2.812 N/A LYS 149.A NZ PRO 69.A O no hydrogen 2.952 N/A LYS 149.A NZ GLU 89.A OE1 no hydrogen 3.230 N/A LYS 149.A NZ GLU 89.A OE2 no hydrogen 2.721 N/A LEU 150.A N PHE 70.A O no hydrogen 2.851 N/A THR 151.A N ASN 139.A O no hydrogen 3.223 N/A THR 151.A OG1 ASN 139.A O no hydrogen 2.702 N/A CYS 156.A SG HIS 161.A ND1 no hydrogen 3.493 N/A CYS 169.A N HIS 167.A O no hydrogen 3.424 N/A CYS 169.A SG HIS 161.A ND1 no hydrogen 3.647 N/A CYS 169.A SG HIS 167.A ND1 no hydrogen 3.768 N/A THR 171.A OG1 GLU 173.A OE1 no hydrogen 3.124 N/A GLU 173.A N THR 171.A OG1 no hydrogen 3.178 N/A TYR 174.A OH ASP 200.A OD2 no hydrogen 2.325 N/A MET 175.A N ILE 172.A O no hydrogen 3.038 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.811 N/A ILE 179.A N ALA 176.A O no hydrogen 3.157 N/A LEU 180.A N ALA 176.A O no hydrogen 3.506 N/A MET 181.A N PRO 177.A O no hydrogen 2.754 N/A ARG 182.A N ILE 179.A O no hydrogen 2.950 N/A SER 183.A N GLU 178.A O no hydrogen 3.153 N/A ARG 187.A NH1 GLY 252.A O no hydrogen 2.900 N/A ARG 187.A NH1 GLY 254.A O no hydrogen 3.237 N/A ARG 187.A NH1 ASP 257.A OD1 no hydrogen 2.937 N/A ARG 187.A NH2 ALA 253.A O no hydrogen 3.427 N/A ARG 187.A NH2 GLY 254.A O no hydrogen 3.091 N/A ALA 188.A N ASN 186.A OD1 no hydrogen 3.026 N/A VAL 189.A N ASN 186.A O no hydrogen 3.294 N/A ASP 190.A N ARG 187.A O no hydrogen 3.095 N/A TRP 191.A NE1 ASP 257.A OD1 no hydrogen 3.006 N/A TRP 192.A N ALA 188.A O no hydrogen 3.246 N/A SER 193.A N VAL 189.A O no hydrogen 3.028 N/A SER 193.A OG TYR 174.A O no hydrogen 2.731 N/A SER 193.A OG VAL 189.A O no hydrogen 3.080 N/A LEU 194.A N ASP 190.A O no hydrogen 2.888 N/A GLY 195.A N TRP 191.A O no hydrogen 3.149 N/A ALA 196.A N TRP 192.A O no hydrogen 3.004 N/A LEU 197.A N SER 193.A O no hydrogen 2.968 N/A MET 198.A N LEU 194.A O no hydrogen 2.944 N/A TYR 199.A N GLY 195.A O no hydrogen 2.811 N/A TYR 199.A OH ASN 226.A O no hydrogen 2.975 N/A ASP 200.A N ALA 196.A O no hydrogen 3.003 N/A MET 201.A N LEU 197.A O no hydrogen 2.903 N/A LEU 202.A N MET 198.A O no hydrogen 3.090 N/A THR 203.A N TYR 199.A O no hydrogen 2.966 N/A THR 203.A OG1 TYR 199.A O no hydrogen 2.759 N/A GLY 204.A N ASP 200.A O no hydrogen 2.902 N/A GLY 210.A N THR 216.A OG1 no hydrogen 3.034 N/A ARG 213.A NH1 PHE 168.A O no hydrogen 3.327 N/A ARG 213.A NH1 GLY 170.A O no hydrogen 2.846 N/A ARG 213.A NH2 PHE 168.A O no hydrogen 2.605 N/A LYS 214.A NZ ASP 218.A OD1 no hydrogen 3.279 N/A LYS 214.A NZ ASP 218.A OD2 no hydrogen 3.281 N/A LYS 215.A N ASN 212.A OD1 no hydrogen 3.206 N/A LYS 215.A NZ GLU 211.A OE1 no hydrogen 2.931 N/A THR 216.A N ASN 212.A O no hydrogen 3.015 N/A THR 216.A OG1 ASN 212.A O no hydrogen 3.007 N/A ILE 217.A N ARG 213.A O no hydrogen 2.831 N/A ASP 218.A N LYS 214.A O no hydrogen 2.815 N/A LYS 219.A N LYS 215.A O no hydrogen 3.035 N/A LYS 219.A NZ THR 209.A O no hydrogen 3.024 N/A ILE 220.A N THR 216.A O no hydrogen 2.876 N/A LEU 221.A N ILE 217.A O no hydrogen 2.984 N/A LYS 222.A N ASP 218.A O no hydrogen 3.020 N/A CYS 223.A N LYS 219.A O no hydrogen 2.969 N/A CYS 223.A SG ILE 220.A O no hydrogen 2.944 N/A CYS 223.A SG LEU 221.A O no hydrogen 3.345 N/A LEU 231.A N PRO 228.A O no hydrogen 3.286 N/A THR 232.A OG1 GLU 108.A OE1 no hydrogen 2.720 N/A THR 232.A OG1 GLU 108.A OE2 no hydrogen 3.016 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.830 N/A ALA 235.A N THR 232.A OG1 no hydrogen 3.111 N/A ARG 236.A N THR 232.A O no hydrogen 2.806 N/A ARG 236.A NH1 LEU 227.A O no hydrogen 3.138 N/A ARG 236.A NH1 PRO 228.A O no hydrogen 3.253 N/A ASP 237.A N GLN 233.A O no hydrogen 3.013 N/A LEU 238.A N GLU 234.A O no hydrogen 3.081 N/A LEU 239.A N ALA 235.A O no hydrogen 2.903 N/A LYS 240.A N ARG 236.A O no hydrogen 3.029 N/A LYS 241.A N ASP 237.A O no hydrogen 3.254 N/A LYS 241.A NZ ASP 237.A OD2 no hydrogen 2.725 N/A LEU 242.A N LEU 238.A O no hydrogen 2.892 N/A LEU 243.A N LEU 239.A O no hydrogen 2.861 N/A ARG 245.A NH1 ARG 245.A O no hydrogen 3.482 N/A SER 249.A N ASN 246.A O no hydrogen 2.841 N/A SER 249.A OG ASN 246.A OD1 no hydrogen 2.405 N/A ARG 250.A N ALA 247.A O no hydrogen 3.021 N/A ARG 250.A NE LYS 244.A O no hydrogen 2.774 N/A ARG 250.A NH1 GLU 178.A OE2 no hydrogen 2.753 N/A ARG 250.A NH1 ALA 188.A O no hydrogen 2.785 N/A ARG 250.A NH2 GLU 178.A OE1 no hydrogen 2.678 N/A ARG 250.A NH2 GLU 178.A OE2 no hydrogen 3.328 N/A ARG 250.A NH2 LYS 244.A O no hydrogen 3.215 N/A LEU 251.A N LYS 241.A O no hydrogen 3.103 N/A GLY 252.A N GLU 260.A OE1 no hydrogen 3.433 N/A ALA 253.A N ARG 250.A O no hydrogen 3.030 N/A GLY 256.A N GLU 260.A OE2 no hydrogen 3.290 N/A ASP 257.A N GLY 254.A O no hydrogen 3.147 N/A GLU 260.A N ASP 257.A O no hydrogen 2.974 N/A GLN 262.A N ALA 258.A O no hydrogen 2.770 N/A GLN 262.A NE2 SER 119.A OG no hydrogen 3.148 N/A ALA 263.A N GLY 259.A O no hydrogen 3.215 N/A HIS 264.A N VAL 261.A O no hydrogen 3.108 N/A HIS 264.A NE2 ASP 237.A OD2 no hydrogen 2.750 N/A PHE 266.A N HIS 264.A ND1 no hydrogen 3.002 N/A PHE 267.A N HIS 264.A O no hydrogen 2.805 N/A ARG 268.A N PRO 265.A O no hydrogen 3.025 N/A ARG 268.A NH1 PRO 265.A O no hydrogen 2.993 N/A ILE 270.A N PHE 267.A O no hydrogen 3.053 N/A GLU 274.A N ASN 271.A OD1 no hydrogen 3.097 N/A LEU 275.A N ASN 271.A O no hydrogen 2.975 N/A LEU 276.A N TRP 272.A O no hydrogen 3.016 N/A ALA 277.A N GLU 273.A O no hydrogen 3.078 N/A ARG 278.A N LEU 275.A O no hydrogen 2.897 N/A LYS 279.A N GLU 274.A O no hydrogen 2.852 N/A LYS 285.A NZ GLU 281.A OE2 no hydrogen 2.930 N/A