Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h0a_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N PRO 1.A O no hydrogen 3.361 N/A LEU 6.A N GLU 2.A O no hydrogen 2.936 N/A ARG 7.A N SER 3.A O no hydrogen 2.984 N/A ARG 7.A NH1 GLN 208.A OE1 no hydrogen 2.994 N/A ARG 7.A NH2 GLN 208.A OE1 no hydrogen 3.107 N/A ALA 8.A N ALA 4.A O no hydrogen 2.984 N/A LEU 9.A N ASP 5.A O no hydrogen 2.986 N/A ALA 10.A N LEU 6.A O no hydrogen 3.168 N/A LYS 11.A N ARG 7.A O no hydrogen 2.978 N/A LYS 11.A NZ ASP 15.A OD2 no hydrogen 3.395 N/A HIS 12.A N ALA 8.A O no hydrogen 2.742 N/A HIS 12.A NE2 SER 90.A O no hydrogen 2.422 N/A LEU 13.A N LEU 9.A O no hydrogen 3.031 N/A TYR 14.A N ALA 10.A O no hydrogen 3.261 N/A ASP 15.A N LYS 11.A O no hydrogen 2.926 N/A SER 16.A N HIS 12.A O no hydrogen 3.183 N/A SER 16.A OG SER 90.A OG no hydrogen 2.445 N/A TYR 17.A N LEU 13.A O no hydrogen 2.976 N/A TYR 17.A OH ASP 169.A OD1 no hydrogen 2.981 N/A ILE 18.A N TYR 14.A O no hydrogen 2.827 N/A LYS 19.A N ASP 15.A O no hydrogen 2.854 N/A SER 20.A N SER 16.A O no hydrogen 2.752 N/A SER 20.A N TYR 17.A O no hydrogen 3.042 N/A SER 20.A OG SER 16.A O no hydrogen 2.772 N/A PHE 21.A N TYR 17.A O no hydrogen 3.113 N/A LYS 25.A N ASP 169.A OD1 no hydrogen 2.755 N/A ALA 26.A N ASP 169.A OD2 no hydrogen 3.096 N/A LYS 27.A N THR 24.A OG1 no hydrogen 3.181 N/A ALA 28.A N THR 24.A O no hydrogen 3.013 N/A ARG 29.A N LYS 25.A O no hydrogen 2.829 N/A ARG 29.A NH1.B MET 122.A O no hydrogen 3.122 N/A ARG 29.A NH2.B SER 120.A O no hydrogen 2.510 N/A ARG 29.A NH2.B MET 122.A O no hydrogen 2.906 N/A ALA 30.A N ALA 26.A O no hydrogen 3.034 N/A ILE 31.A N LYS 27.A O no hydrogen 3.101 N/A ILE 31.A N ALA 28.A O no hydrogen 3.109 N/A LEU 32.A N ALA 28.A O no hydrogen 2.894 N/A THR 33.A N ARG 29.A O no hydrogen 3.048 N/A THR 33.A OG1 ARG 29.A O no hydrogen 2.998 N/A GLY 34.A N ILE 31.A O no hydrogen 2.700 N/A LYS 35.A N ALA 30.A O no hydrogen 2.721 N/A THR 36.A OG1 ASP 38.A OD1 no hydrogen 2.762 N/A PHE 42.A N GLN 133.A O no hydrogen 3.142 N/A ILE 44.A N PHE 135.A O no hydrogen 3.016 N/A TYR 45.A N SER 49.A OG no hydrogen 3.017 N/A ASP 46.A N SER 49.A OG no hydrogen 2.460 N/A SER 49.A N ASP 46.A OD1 no hydrogen 2.772 N/A SER 49.A OG ASP 46.A O no hydrogen 2.461 N/A SER 49.A OG ASP 46.A OD1 no hydrogen 2.572 N/A LEU 50.A N ASP 46.A O no hydrogen 2.726 N/A MET 51.A N MET 47.A O no hydrogen 3.117 N/A MET 52.A N ASN 48.A O no hydrogen 3.364 N/A GLY 53.A N SER 49.A O no hydrogen 3.108 N/A LYS 56.A N ASP 55.A OD2 no hydrogen 2.447 N/A ARG 68.A N GLU 64.A O no hydrogen 3.215 N/A ARG 68.A NH1 LYS 63.A O no hydrogen 2.895 N/A ARG 68.A NH2 GLU 54.A OE1 no hydrogen 3.050 N/A ILE 69.A N VAL 65.A O no hydrogen 2.925 N/A PHE 70.A N ALA 66.A O no hydrogen 2.817 N/A GLN 71.A N ILE 67.A O no hydrogen 2.869 N/A GLN 71.A NE2 SER 252.A O no hydrogen 2.868 N/A GLY 72.A N ARG 68.A O no hydrogen 2.934 N/A CYS 73.A N ILE 69.A O no hydrogen 2.827 N/A GLN 74.A N PHE 70.A O no hydrogen 2.946 N/A PHE 75.A N GLN 71.A O no hydrogen 3.109 N/A ARG 76.A N GLY 72.A O no hydrogen 3.255 N/A ARG 76.A NH1 ARG 76.A O no hydrogen 2.771 N/A ARG 76.A NH2 GLU 83.A OE1 no hydrogen 3.056 N/A SER 77.A N CYS 73.A O no hydrogen 3.043 N/A SER 77.A OG CYS 73.A O no hydrogen 3.218 N/A VAL 78.A N GLN 74.A O no hydrogen 3.090 N/A GLU 79.A N PHE 75.A O no hydrogen 3.285 N/A ALA 80.A N ARG 76.A O no hydrogen 2.925 N/A VAL 81.A N SER 77.A O no hydrogen 2.679 N/A GLN 82.A N VAL 78.A O no hydrogen 3.329 N/A GLU 83.A N GLU 79.A O no hydrogen 2.956 N/A ILE 84.A N ALA 80.A O no hydrogen 3.096 N/A THR 85.A N VAL 81.A O no hydrogen 3.076 N/A THR 85.A OG1 VAL 81.A O no hydrogen 2.731 N/A GLU 86.A N GLN 82.A O no hydrogen 3.134 N/A TYR 87.A N GLU 83.A O no hydrogen 3.198 N/A TYR 87.A OH LEU 13.A O no hydrogen 3.230 N/A TYR 87.A OH ALA 173.A O no hydrogen 2.660 N/A ALA 88.A N ILE 84.A O no hydrogen 2.784 N/A LYS 89.A N THR 85.A O no hydrogen 2.878 N/A LYS 89.A NZ GLU 86.A OE2 no hydrogen 2.709 N/A SER 90.A N TYR 87.A O no hydrogen 2.653 N/A SER 90.A OG SER 16.A OG no hydrogen 2.445 N/A SER 90.A OG TYR 87.A O no hydrogen 2.488 N/A ILE 91.A N ALA 88.A O no hydrogen 2.829 N/A PHE 94.A N ILE 91.A O no hydrogen 2.891 N/A ASN 96.A N GLY 93.A O no hydrogen 2.853 N/A LEU 97.A N PHE 94.A O no hydrogen 2.972 N/A ASN 100.A N ASP 98.A OD1 no hydrogen 2.638 N/A ASN 100.A ND2 ASP 98.A OD1 no hydrogen 3.059 N/A GLN 102.A N ASP 98.A O no hydrogen 2.946 N/A GLN 102.A NE2 LEU 97.A O no hydrogen 3.082 N/A VAL 103.A N LEU 99.A O no hydrogen 3.070 N/A THR 104.A N ASN 100.A O no hydrogen 3.041 N/A THR 104.A OG1 ASN 100.A O no hydrogen 2.900 N/A LEU 105.A N ASP 101.A O no hydrogen 2.960 N/A LEU 106.A N GLN 102.A O no hydrogen 3.221 N/A LYS 107.A N VAL 103.A O no hydrogen 2.721 N/A LYS 107.A NZ GLU 259.A O no hydrogen 3.003 N/A LYS 107.A NZ ILE 260.A O no hydrogen 3.373 N/A LYS 107.A NZ LYS 262.A O no hydrogen 2.578 N/A TYR 108.A N THR 104.A O no hydrogen 3.071 N/A GLY 109.A N LEU 106.A O no hydrogen 3.068 N/A VAL 110.A N LEU 106.A O no hydrogen 3.133 N/A HIS 111.A NE2.B LYS 107.A O no hydrogen 2.564 N/A ILE 113.A N GLY 109.A O no hydrogen 3.203 N/A ILE 114.A N VAL 110.A O no hydrogen 2.837 N/A TYR 115.A N HIS 111.A O no hydrogen 3.050 N/A THR 116.A N GLU 112.A O no hydrogen 3.172 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.764 N/A MET 117.A N ILE 113.A O no hydrogen 2.942 N/A LEU 118.A N ILE 114.A O no hydrogen 2.992 N/A ALA 119.A N TYR 115.A O no hydrogen 3.431 N/A SER 120.A N MET 117.A O no hydrogen 3.252 N/A SER 120.A OG MET 117.A O no hydrogen 3.002 N/A LEU 121.A N LEU 118.A O no hydrogen 2.660 N/A MET 122.A N ALA 119.A O no hydrogen 3.017 N/A ASN 123.A N GLY 126.A O no hydrogen 3.039 N/A LYS 124.A NZ ASP 125.A OD1 no hydrogen 3.552 N/A LYS 124.A NZ ASP 125.A OD2 no hydrogen 3.308 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 2.841 N/A GLY 126.A N ASN 123.A OD1 no hydrogen 3.098 N/A VAL 127.A N MET 136.A O no hydrogen 3.057 N/A LEU 128.A N LEU 121.A O no hydrogen 3.145 N/A ILE 129.A N GLY 134.A O no hydrogen 3.081 N/A SER 130.A OG GLN 133.A OE1 no hydrogen 2.701 N/A GLN 133.A N SER 130.A O no hydrogen 2.937 N/A GLY 134.A N ILE 129.A O no hydrogen 3.405 N/A PHE 135.A N PHE 42.A O no hydrogen 2.985 N/A MET 136.A N VAL 127.A O no hydrogen 2.780 N/A THR 137.A N ILE 44.A O no hydrogen 3.009 N/A ARG 138.A N ASP 125.A O no hydrogen 2.648 N/A ARG 138.A NE GLU 153.A OE1 no hydrogen 2.792 N/A ARG 138.A NE GLU 153.A OE2 no hydrogen 2.811 N/A ARG 138.A NH1 LYS 124.A O no hydrogen 2.874 N/A ARG 138.A NH2 GLU 153.A OE2 no hydrogen 2.592 N/A PHE 140.A N THR 137.A OG1 no hydrogen 3.208 N/A LEU 141.A N THR 137.A O no hydrogen 3.285 N/A LYS 142.A N ARG 138.A O no hydrogen 2.923 N/A SER 143.A N GLU 139.A O no hydrogen 3.168 N/A SER 143.A OG PHE 140.A O no hydrogen 2.844 N/A LEU 144.A N LEU 141.A O no hydrogen 3.214 N/A ARG 145.A NE GLU 64.A OE2 no hydrogen 2.898 N/A ARG 145.A NH1 LYS 146.A O no hydrogen 3.269 N/A ARG 145.A NH1 GLU 248.A OE1 no hydrogen 3.133 N/A ARG 145.A NH1 GLU 248.A OE2 no hydrogen 2.824 N/A ARG 145.A NH2 GLU 64.A OE1 no hydrogen 2.435 N/A ARG 145.A NH2 GLU 248.A OE1 no hydrogen 3.235 N/A LYS 146.A NZ ASP 150.A OD2 no hydrogen 3.526 N/A PHE 148.A N ARG 145.A O no hydrogen 2.999 N/A ASP 150.A N PRO 147.A O no hydrogen 3.043 N/A PHE 151.A N PHE 148.A O no hydrogen 3.093 N/A LYS 155.A N MET 152.A O no hydrogen 2.657 N/A LYS 155.A NZ PHE 151.A O no hydrogen 2.636 N/A LYS 155.A NZ HIS 237.A ND1 no hydrogen 2.795 N/A PHE 156.A N MET 152.A O no hydrogen 3.057 N/A GLU 157.A N GLU 153.A O no hydrogen 3.268 N/A PHE 158.A N PRO 154.A O no hydrogen 3.300 N/A ALA 159.A N LYS 155.A O no hydrogen 2.817 N/A LYS 161.A N PHE 158.A O no hydrogen 3.057 N/A PHE 162.A N PHE 158.A O no hydrogen 2.764 N/A ASN 163.A N ALA 159.A O no hydrogen 2.904 N/A ASN 163.A ND2 ALA 119.A O no hydrogen 3.374 N/A ALA 164.A N LYS 161.A O no hydrogen 2.959 N/A LEU 165.A N PHE 162.A O no hydrogen 3.117 N/A GLU 166.A N ASN 163.A O no hydrogen 3.165 N/A ASP 168.A N ASP 171.A OD1 no hydrogen 2.887 N/A ASP 171.A N ASP 168.A OD1 no hydrogen 3.067 N/A LEU 172.A N ASP 168.A O no hydrogen 3.036 N/A ALA 173.A N ASP 169.A O no hydrogen 3.244 N/A PHE 175.A N ASP 171.A O no hydrogen 3.221 N/A ILE 176.A N LEU 172.A O no hydrogen 3.121 N/A ALA 177.A N ALA 173.A O no hydrogen 3.348 N/A VAL 178.A N ILE 174.A O no hydrogen 2.804 N/A ILE 179.A N PHE 175.A O no hydrogen 2.886 N/A ILE 180.A N ILE 176.A O no hydrogen 3.202 N/A LEU 181.A N ALA 177.A O no hydrogen 3.431 N/A SER 182.A OG ILE 179.A O no hydrogen 2.727 N/A ARG 185.A NH1 GLU 112.A OE2 no hydrogen 3.207 N/A ARG 185.A NH2 GLU 112.A OE1 no hydrogen 3.205 N/A ARG 185.A NH2 ILE 179.A O no hydrogen 3.104 N/A LEU 189.A N ASP 101.A OD1 no hydrogen 3.118 N/A LEU 189.A N ASP 101.A OD2 no hydrogen 3.214 N/A ASN 190.A N ASP 101.A OD2 no hydrogen 2.862 N/A LYS 192.A NZ ASP 196.A OD1 no hydrogen 2.863 N/A LYS 192.A NZ ASP 196.A OD2 no hydrogen 2.913 N/A GLU 195.A N VAL 191.A O no hydrogen 3.044 N/A ASP 196.A N LYS 192.A O no hydrogen 2.748 N/A ILE 197.A N PRO 193.A O no hydrogen 3.191 N/A GLN 198.A N ILE 194.A O no hydrogen 2.962 N/A GLN 198.A NE2 VAL 178.A O no hydrogen 3.021 N/A ASP 199.A N GLU 195.A O no hydrogen 2.896 N/A LEU 201.A N ILE 197.A O no hydrogen 3.131 N/A LEU 202.A N GLN 198.A O no hydrogen 2.582 N/A GLN 203.A N ASP 199.A O no hydrogen 3.046 N/A GLN 203.A NE2 GLU 2.A OE1 no hydrogen 3.157 N/A ALA 204.A N ASN 200.A O no hydrogen 2.910 N/A LEU 205.A N LEU 201.A O no hydrogen 2.704 N/A LEU 205.A N LEU 202.A O no hydrogen 2.961 N/A GLU 206.A N LEU 202.A O no hydrogen 2.969 N/A GLU 206.A N GLN 203.A O no hydrogen 3.181 N/A LEU 207.A N GLN 203.A O no hydrogen 3.096 N/A GLN 208.A N ALA 204.A O no hydrogen 3.067 N/A GLN 208.A NE2 ASP 171.A OD2 no hydrogen 3.104 N/A LEU 209.A N LEU 205.A O no hydrogen 3.084 N/A LYS 210.A N GLU 206.A O no hydrogen 3.121 N/A LEU 211.A N LEU 207.A O no hydrogen 2.875 N/A ASN 212.A N GLN 208.A O no hydrogen 2.700 N/A ASN 212.A ND2 ASP 168.A OD1 no hydrogen 3.151 N/A ASN 212.A ND2 ASP 168.A OD2 no hydrogen 3.351 N/A ASN 212.A ND2 ASP 171.A OD2 no hydrogen 2.552 N/A HIS 213.A N LEU 209.A O no hydrogen 2.602 N/A HIS 213.A NE2 ASP 171.A OD1 no hydrogen 2.417 N/A SER 216.A N HIS 213.A O no hydrogen 3.172 N/A LYS 222.A N GLN 218.A O no hydrogen 3.098 N/A LEU 223.A N LEU 219.A O no hydrogen 2.816 N/A LEU 224.A N PHE 220.A O no hydrogen 2.869 N/A GLN 225.A N ALA 221.A O no hydrogen 2.924 N/A LYS 226.A N LYS 222.A O no hydrogen 3.226 N/A MET 227.A N LEU 224.A O no hydrogen 2.982 N/A ASP 229.A N ASP 229.A OD2 no hydrogen 2.477 N/A LEU 230.A N LYS 226.A O no hydrogen 3.134 N/A ARG 231.A NE GLU 112.A OE2 no hydrogen 3.047 N/A ARG 231.A NH1 ASP 184.A OD1 no hydrogen 3.550 N/A ARG 231.A NH1 ASP 184.A OD2 no hydrogen 3.249 N/A ARG 231.A NH2 ASP 184.A OD1 no hydrogen 3.099 N/A ARG 231.A NH2 ASP 184.A OD2 no hydrogen 3.323 N/A GLN 232.A N ASP 229.A O no hydrogen 2.212 N/A ILE 233.A N ASP 229.A O no hydrogen 3.019 N/A VAL 234.A N LEU 230.A O no hydrogen 3.115 N/A THR 235.A OG1 ARG 231.A O no hydrogen 3.343 N/A THR 235.A OG1 GLN 232.A O no hydrogen 2.253 N/A GLU 236.A N GLN 232.A O no hydrogen 3.107 N/A HIS 237.A N VAL 234.A O no hydrogen 2.812 N/A VAL 238.A N VAL 234.A O no hydrogen 2.816 N/A GLN 239.A N THR 235.A O no hydrogen 3.162 N/A LEU 241.A N HIS 237.A O no hydrogen 2.976 N/A GLN 242.A N VAL 238.A O no hydrogen 3.017 N/A VAL 243.A N GLN 239.A O no hydrogen 2.831 N/A ILE 244.A N LEU 240.A O no hydrogen 3.156 N/A LYS 245.A N LEU 241.A O no hydrogen 3.130 N/A LYS 246.A N GLN 242.A O no hydrogen 2.663 N/A THR 247.A N VAL 243.A O no hydrogen 3.072 N/A THR 247.A OG1 VAL 243.A O no hydrogen 2.949 N/A THR 247.A OG1 GLU 248.A OE2 no hydrogen 2.907 N/A ASP 250.A N THR 249.A OG1 no hydrogen 2.162 N/A GLN 258.A N HIS 254.A O no hydrogen 2.818 N/A GLN 258.A NE2 LEU 253.A O no hydrogen 2.533 N/A GLU 259.A N PRO 255.A O no hydrogen 2.959 N/A ILE 260.A N LEU 256.A O no hydrogen 3.265 N/A TYR 261.A N LEU 257.A O no hydrogen 2.903 N/A TYR 261.A OH GLN 74.A OE1 no hydrogen 3.266 N/A TYR 261.A OH HIS 111.A NE2.A no hydrogen 3.317 N/A LYS 262.A N GLN 258.A O no hydrogen 2.431 N/A LEU 264.A N TYR 261.A O no hydrogen 2.903 N/A