Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dfa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 9.A N PHE 6.A O no hydrogen 3.017 N/A TYR 10.A N PHE 6.A O no hydrogen 2.645 N/A TYR 10.A OH GLU 74.A OE2 no hydrogen 3.226 N/A ASN 11.A N LYS 28.A O no hydrogen 3.391 N/A VAL 13.A N LYS 26.A O no hydrogen 2.703 N/A CYS 14.A N LYS 26.A O no hydrogen 3.407 N/A LEU 16.A N VAL 24.A O no hydrogen 2.785 N/A GLY 19.A N GLY 22.A O no hydrogen 2.669 N/A VAL 24.A N GLY 17.A O no hydrogen 3.062 N/A LEU 25.A N VAL 38.A O no hydrogen 2.800 N/A LYS 26.A N CYS 14.A O no hydrogen 2.936 N/A CYS 27.A N TYR 36.A O no hydrogen 2.852 N/A ASP 29.A N GLN 34.A O no hydrogen 3.012 N/A ARG 30.A N ARG 9.A O no hydrogen 2.792 N/A ARG 30.A NE ALA 7.A O no hydrogen 3.365 N/A ILE 31.A N ASP 29.A OD1 no hydrogen 2.742 N/A THR 32.A N ASP 29.A OD1 no hydrogen 2.902 N/A TYR 36.A N CYS 27.A O no hydrogen 2.782 N/A ALA 37.A N GLY 86.A O no hydrogen 3.006 N/A VAL 38.A N LEU 25.A O no hydrogen 2.739 N/A LYS 39.A N ILE 84.A O no hydrogen 2.909 N/A LYS 39.A NZ ASP 148.A OD2 no hydrogen 3.218 N/A VAL 40.A N GLU 23.A O no hydrogen 3.000 N/A ILE 41.A N PHE 82.A O no hydrogen 2.819 N/A LYS 43.A N SER 80.A O no hydrogen 2.884 N/A LYS 43.A NZ GLU 77.A OE2 no hydrogen 2.787 N/A LYS 43.A NZ ASP 78.A O no hydrogen 2.594 N/A ALA 44.A N ASN 42.A OD1 no hydrogen 2.846 N/A SER 45.A N ASN 42.A O no hydrogen 2.834 N/A ALA 46.A N LYS 43.A O no hydrogen 3.188 N/A LYS 47.A N CYS 154.A O no hydrogen 2.915 N/A LYS 47.A NZ SER 152.A O no hydrogen 2.891 N/A ASP 50.A N ASN 48.A OD1 no hydrogen 2.785 N/A SER 52.A N ASP 50.A OD2 no hydrogen 3.270 N/A SER 52.A OG ASP 50.A OD1 no hydrogen 3.395 N/A SER 52.A OG ASP 50.A OD2 no hydrogen 2.675 N/A THR 53.A N ASP 50.A O no hydrogen 3.176 N/A THR 53.A OG1 ASP 50.A OD1 no hydrogen 3.349 N/A LEU 55.A N THR 51.A O no hydrogen 2.935 N/A ARG 56.A N SER 52.A O no hydrogen 3.022 N/A GLU 57.A N THR 53.A O no hydrogen 3.084 N/A VAL 58.A N ILE 54.A O no hydrogen 3.055 N/A GLU 59.A N LEU 55.A O no hydrogen 2.986 N/A LEU 60.A N ARG 56.A O no hydrogen 3.047 N/A LEU 61.A N GLU 57.A O no hydrogen 3.068 N/A LYS 62.A N VAL 58.A O no hydrogen 2.808 N/A LYS 62.A NZ GLU 59.A OE1 no hydrogen 3.272 N/A LYS 63.A N GLU 59.A O no hydrogen 3.315 N/A LEU 64.A N LEU 61.A O no hydrogen 3.290 N/A ASP 65.A N TYR 121.A OH no hydrogen 2.821 N/A HIS 66.A NE2 SER 117.A OG no hydrogen 2.918 N/A ASN 68.A N HIS 66.A ND1 no hydrogen 3.120 N/A ASN 68.A ND2 GLN 114.A OE1 no hydrogen 3.511 N/A ASN 68.A ND2 ILE 144.A O no hydrogen 3.022 N/A ILE 69.A N HIS 66.A O no hydrogen 2.778 N/A MET 70.A N ILE 146.A O no hydrogen 2.969 N/A LYS 71.A N GLU 87.A OE2 no hydrogen 2.987 N/A LYS 71.A NZ LYS 62.A O no hydrogen 3.046 N/A PHE 73.A N VAL 85.A O no hydrogen 2.721 N/A GLU 74.A N VAL 85.A O no hydrogen 3.330 N/A LEU 76.A N TYR 83.A O no hydrogen 2.900 N/A ASP 78.A N SER 81.A O no hydrogen 2.755 N/A PHE 82.A N ILE 41.A O no hydrogen 2.668 N/A TYR 83.A N LEU 76.A O no hydrogen 2.774 N/A TYR 83.A OH ASP 78.A OD2 no hydrogen 2.277 N/A ILE 84.A N LYS 39.A O no hydrogen 2.920 N/A VAL 85.A N GLU 74.A O no hydrogen 2.806 N/A GLY 86.A N ALA 37.A O no hydrogen 2.994 N/A GLU 87.A N LYS 71.A O no hydrogen 3.203 N/A LEU 93.A N ILE 137.A O no hydrogen 2.682 N/A PHE 94.A N PRO 134.A O no hydrogen 3.246 N/A GLU 96.A N GLU 92.A O no hydrogen 3.409 N/A ILE 97.A N LEU 93.A O no hydrogen 2.959 N/A ILE 98.A N PHE 94.A O no hydrogen 3.163 N/A LYS 99.A N ASP 95.A O no hydrogen 3.167 N/A ARG 100.A N GLU 96.A O no hydrogen 2.900 N/A ARG 100.A NE GLU 96.A OE1 no hydrogen 3.308 N/A ARG 100.A NH1 ASP 107.A OD2 no hydrogen 3.004 N/A LYS 101.A N ILE 97.A O no hydrogen 2.824 N/A ARG 102.A N ARG 100.A O no hydrogen 2.731 N/A PHE 103.A N LEU 196.A O no hydrogen 2.694 N/A ASP 107.A N SER 104.A OG no hydrogen 3.273 N/A ALA 108.A N SER 104.A O no hydrogen 2.804 N/A ALA 109.A N GLU 105.A O no hydrogen 2.926 N/A ARG 110.A N HIS 106.A O no hydrogen 3.240 N/A ILE 111.A N ASP 107.A O no hydrogen 3.357 N/A ILE 112.A N ALA 108.A O no hydrogen 2.942 N/A LYS 113.A N ALA 109.A O no hydrogen 2.996 N/A GLN 114.A NE2 ARG 110.A O no hydrogen 3.190 N/A GLN 114.A NE2 CYS 142.A O no hydrogen 3.271 N/A VAL 115.A N ILE 111.A O no hydrogen 3.333 N/A PHE 116.A N ILE 112.A O no hydrogen 2.839 N/A SER 117.A N LYS 113.A O no hydrogen 2.829 N/A SER 117.A OG HIS 66.A NE2 no hydrogen 2.918 N/A GLY 118.A N GLN 114.A O no hydrogen 3.102 N/A ILE 119.A N VAL 115.A O no hydrogen 3.025 N/A THR 120.A N PHE 116.A O no hydrogen 2.786 N/A THR 120.A OG1 PHE 116.A O no hydrogen 2.760 N/A TYR 121.A N SER 117.A O no hydrogen 3.169 N/A MET 122.A N GLY 118.A O no hydrogen 3.012 N/A HIS 123.A N ILE 119.A O no hydrogen 2.789 N/A HIS 123.A NE2 ASP 185.A OD2 no hydrogen 2.820 N/A LYS 124.A N THR 120.A O no hydrogen 2.987 N/A HIS 125.A N MET 122.A O no hydrogen 2.972 N/A HIS 125.A ND1 TYR 121.A O no hydrogen 3.131 N/A ASN 126.A N HIS 123.A O no hydrogen 3.099 N/A ILE 127.A N MET 122.A O no hydrogen 2.963 N/A HIS 129.A N ASP 185.A OD2 no hydrogen 2.769 N/A HIS 129.A NE2 ILE 147.A O no hydrogen 2.993 N/A ARG 130.A N ASP 185.A OD1 no hydrogen 2.869 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.033 N/A LYS 133.A NZ THR 167.A OG1 no hydrogen 3.398 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.754 N/A ASN 136.A N LYS 133.A O no hydrogen 2.815 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.709 N/A ILE 137.A N PRO 134.A O no hydrogen 3.259 N/A LEU 138.A N LYS 145.A O no hydrogen 2.910 N/A LEU 139.A N GLY 91.A O no hydrogen 2.948 N/A CYS 142.A SG ASP 141.A O no hydrogen 3.230 N/A CYS 142.A SG ASP 141.A OD1 no hydrogen 3.275 N/A LYS 145.A N LEU 138.A O no hydrogen 3.035 N/A ILE 146.A N ASN 68.A O no hydrogen 2.904 N/A ILE 147.A N ASN 136.A O no hydrogen 3.008 N/A LEU 151.A N ASP 148.A O no hydrogen 3.081 N/A SER 152.A OG HIS 129.A O no hydrogen 2.891 N/A THR 153.A OG1 GLY 150.A O no hydrogen 3.319 N/A CYS 154.A N LEU 151.A O no hydrogen 2.906 N/A PHE 155.A N LEU 151.A O no hydrogen 2.920 N/A GLN 156.A N SER 45.A O no hydrogen 2.753 N/A GLN 157.A NE2 ASP 131.A OD1 no hydrogen 2.801 N/A ASN 158.A N SER 20.A O no hydrogen 2.808 N/A LYS 160.A N ASP 163.A OD1 no hydrogen 2.836 N/A ARG 164.A N LYS 160.A O no hydrogen 2.947 N/A ILE 165.A N MET 161.A O no hydrogen 3.103 N/A GLY 166.A N LYS 162.A O no hydrogen 3.407 N/A THR 167.A N ASP 163.A O no hydrogen 3.003 N/A THR 167.A OG1 ASP 163.A O no hydrogen 3.166 N/A ALA 168.A N ARG 164.A O no hydrogen 2.937 N/A TYR 170.A N THR 167.A O no hydrogen 3.262 N/A ILE 171.A N THR 167.A O no hydrogen 3.234 N/A VAL 175.A N ALA 172.A O no hydrogen 3.088 N/A ARG 177.A N PRO 173.A O no hydrogen 3.164 N/A GLY 178.A N GLU 174.A O no hydrogen 2.911 N/A THR 179.A N GLU 174.A O no hydrogen 3.014 N/A LYS 183.A N ASP 181.A OD1 no hydrogen 2.924 N/A LYS 183.A NZ PRO 246.A O no hydrogen 3.164 N/A LYS 183.A NZ ARG 249.A O no hydrogen 2.629 N/A CYS 184.A N ASP 181.A O no hydrogen 3.345 N/A CYS 184.A SG ASP 181.A O no hydrogen 3.389 N/A ASP 185.A N GLU 182.A O no hydrogen 3.018 N/A TRP 187.A N LYS 183.A O no hydrogen 3.194 N/A SER 188.A N CYS 184.A O no hydrogen 3.149 N/A SER 188.A OG TYR 170.A O no hydrogen 2.800 N/A SER 188.A OG CYS 184.A O no hydrogen 2.860 N/A ALA 189.A N ASP 185.A O no hydrogen 3.045 N/A GLY 190.A N VAL 186.A O no hydrogen 2.950 N/A VAL 191.A N TRP 187.A O no hydrogen 3.005 N/A ILE 192.A N SER 188.A O no hydrogen 3.026 N/A LEU 193.A N ALA 189.A O no hydrogen 2.834 N/A TYR 194.A N GLY 190.A O no hydrogen 2.869 N/A TYR 194.A OH ALA 221.A O no hydrogen 2.635 N/A ILE 195.A N VAL 191.A O no hydrogen 2.951 N/A LEU 196.A N ILE 192.A O no hydrogen 2.836 N/A LEU 197.A N LEU 193.A O no hydrogen 3.272 N/A SER 198.A N TYR 194.A O no hydrogen 3.133 N/A SER 198.A OG TYR 194.A O no hydrogen 2.883 N/A GLY 199.A N ILE 195.A O no hydrogen 2.702 N/A THR 200.A N SER 198.A OG no hydrogen 3.179 N/A ASP 210.A N ASN 207.A OD1 no hydrogen 2.739 N/A ILE 211.A N ASN 207.A O no hydrogen 3.303 N/A LEU 212.A N GLU 208.A O no hydrogen 3.113 N/A LYS 213.A N TYR 209.A O no hydrogen 3.066 N/A LYS 213.A NZ GLU 216.A OE1 no hydrogen 3.026 N/A ARG 214.A N ASP 210.A O no hydrogen 3.392 N/A ARG 214.A NH2 TYR 204.A O no hydrogen 3.382 N/A VAL 215.A N ILE 211.A O no hydrogen 3.043 N/A GLU 216.A N LEU 212.A O no hydrogen 2.985 N/A THR 217.A N LYS 213.A O no hydrogen 3.386 N/A THR 217.A OG1 LYS 213.A O no hydrogen 3.150 N/A GLY 218.A N ARG 214.A O no hydrogen 3.087 N/A GLN 226.A NE2 SER 198.A O no hydrogen 2.701 N/A TRP 227.A N LEU 224.A O no hydrogen 2.718 N/A ARG 228.A N PRO 225.A O no hydrogen 2.772 N/A ILE 230.A N TRP 227.A O no hydrogen 3.150 N/A SER 231.A N GLU 105.A OE2 no hydrogen 2.820 N/A SER 231.A OG GLU 105.A OE1 no hydrogen 2.576 N/A SER 231.A OG GLU 105.A OE2 no hydrogen 3.552 N/A ALA 234.A N SER 231.A OG no hydrogen 3.269 N/A LYS 235.A N SER 231.A O no hydrogen 3.242 N/A LYS 235.A NZ TRP 227.A O no hydrogen 3.090 N/A ASP 236.A N ASP 232.A O no hydrogen 2.797 N/A LEU 237.A N ASP 233.A O no hydrogen 2.993 N/A ILE 238.A N ALA 234.A O no hydrogen 3.143 N/A ARG 239.A N LYS 235.A O no hydrogen 2.890 N/A LYS 240.A N ASP 236.A O no hydrogen 3.012 N/A LYS 240.A NZ ASP 236.A OD1 no hydrogen 3.041 N/A LYS 240.A NZ ASP 236.A OD2 no hydrogen 2.880 N/A MET 241.A N LEU 237.A O no hydrogen 2.952 N/A LEU 242.A N ILE 238.A O no hydrogen 2.741 N/A THR 243.A OG1 ARG 239.A O no hydrogen 3.072 N/A THR 243.A OG1 LYS 240.A O no hydrogen 2.739 N/A LEU 248.A N HIS 245.A O no hydrogen 2.898 N/A ARG 249.A N PRO 246.A O no hydrogen 3.051 N/A ARG 249.A NE THR 243.A O no hydrogen 2.845 N/A ARG 249.A NH1 GLU 174.A OE1 no hydrogen 2.546 N/A ARG 249.A NH1 THR 243.A O no hydrogen 3.108 N/A ARG 249.A NH1 PHE 244.A O no hydrogen 2.775 N/A ARG 249.A NH2 GLU 174.A OE1 no hydrogen 3.297 N/A ARG 249.A NH2 GLU 174.A OE2 no hydrogen 3.291 N/A ARG 249.A NH2 LYS 183.A O no hydrogen 2.763 N/A ILE 250.A N LYS 240.A O no hydrogen 3.400 N/A THR 251.A N GLN 254.A OE1 no hydrogen 2.764 N/A THR 251.A OG1 GLN 254.A OE1 no hydrogen 2.975 N/A GLN 254.A N THR 251.A OG1 no hydrogen 3.161 N/A CYS 255.A N THR 251.A O no hydrogen 3.158 N/A CYS 255.A SG THR 251.A O no hydrogen 3.412 N/A LEU 256.A N ALA 252.A O no hydrogen 3.026 N/A HIS 258.A N CYS 255.A O no hydrogen 3.157 N/A HIS 258.A NE2 ASP 236.A OD2 no hydrogen 2.667 N/A TRP 260.A N HIS 258.A ND1 no hydrogen 3.079 N/A TRP 260.A NE1 GLU 105.A OE1 no hydrogen 2.772 N/A ILE 261.A N HIS 258.A O no hydrogen 2.904 N/A GLN 262.A N HIS 258.A O no hydrogen 3.270 N/A LYS 263.A N PRO 259.A O no hydrogen 3.131 N/A SER 265.A N GLN 262.A O no hydrogen 3.499 N/A