Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rwa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 208.A OE2 no hydrogen 2.751 N/A LEU 3.A N LEU 229.A O no hydrogen 2.930 N/A CYS 5.A N MET 227.A O no hydrogen 2.959 N/A CYS 5.A SG MET 227.A O no hydrogen 3.958 N/A ASN 6.A N THR 162.A O no hydrogen 2.922 N/A ASN 6.A ND2 ASP 226.A OD1 no hydrogen 3.316 N/A LEU 7.A N SER 225.A O no hydrogen 2.705 N/A LYS 8.A N VAL 160.A O no hydrogen 3.050 N/A LYS 8.A NZ ASN 6.A OD1 no hydrogen 2.665 N/A THR 9.A N GLY 223.A O no hydrogen 3.014 N/A THR 10.A N GLU 158.A O no hydrogen 2.871 N/A THR 10.A OG1 ASP 218.A OD2 no hydrogen 3.529 N/A TYR 11.A N LEU 221.A O no hydrogen 2.770 N/A TYR 11.A OH GLU 212.A OE1 no hydrogen 3.406 N/A TYR 11.A OH GLU 212.A OE2 no hydrogen 2.577 N/A ARG 12.A N THR 156.A O no hydrogen 2.940 N/A ARG 12.A NE GLU 158.A OE2 no hydrogen 2.830 N/A ARG 12.A NH2 GLU 158.A OE1 no hydrogen 2.963 N/A ARG 12.A NH2 GLU 158.A OE2 no hydrogen 3.467 N/A SER 13.A OG SER 150.A OG no hydrogen 2.633 N/A LYS 14.A N GLY 154.A O no hydrogen 2.867 N/A LYS 14.A NZ ASP 174.A OD2 no hydrogen 2.555 N/A LYS 15.A N SER 13.A OG no hydrogen 3.084 N/A LYS 15.A NZ GLN 149.A O no hydrogen 2.541 N/A LYS 15.A NZ PHE 151.A O no hydrogen 2.964 N/A ASN 19.A N PRO 16.A O no hydrogen 2.873 N/A LEU 20.A N ALA 17.A O no hydrogen 2.869 N/A LYS 21.A N GLN 149.A OE1 no hydrogen 2.877 N/A LYS 21.A NZ THR 67.A O no hydrogen 2.910 N/A LYS 21.A NZ GLY 68.A O no hydrogen 3.042 N/A LYS 21.A NZ GLY 69.A O no hydrogen 2.989 N/A GLY 24.A N TYR 54.A OH no hydrogen 3.183 N/A TYR 26.A N LEU 214.A O no hydrogen 2.959 N/A TYR 26.A OH HIS 139.A NE2 no hydrogen 2.817 N/A TYR 27.A N ARG 53.A O no hydrogen 2.943 N/A VAL 28.A N GLU 212.A O no hydrogen 2.801 N/A ASP 29.A N VAL 51.A O no hydrogen 2.977 N/A ARG 30.A N SER 210.A O no hydrogen 2.845 N/A ARG 30.A NE GLU 48.A OE2 no hydrogen 2.896 N/A ARG 30.A NH1 GLU 212.A OE1 no hydrogen 2.929 N/A ARG 31.A N VAL 49.A O no hydrogen 3.008 N/A GLU 33.A N HIS 47.A O no hydrogen 2.829 N/A ARG 34.A NH1 GLU 37.A OE2 no hydrogen 2.903 N/A ARG 34.A NH1 GLU 41.A OE2 no hydrogen 2.727 N/A ILE 35.A N GLU 45.A O no hydrogen 2.833 N/A ALA 38.A N TYR 43.A O no hydrogen 2.833 N/A THR 42.A N ALA 38.A O no hydrogen 3.099 N/A THR 42.A N ASP 39.A O no hydrogen 3.219 N/A THR 42.A OG1 ALA 38.A O no hydrogen 3.513 N/A THR 42.A OG1 ASP 39.A O no hydrogen 2.843 N/A TYR 43.A N ALA 38.A O no hydrogen 3.214 N/A VAL 44.A N ILE 113.A O no hydrogen 2.947 N/A GLU 45.A N LYS 36.A O no hydrogen 2.906 N/A GLN 46.A N MET 111.A O no hydrogen 2.925 N/A GLN 46.A NE2 ALA 129.A O no hydrogen 3.318 N/A HIS 47.A N GLU 33.A O no hydrogen 2.867 N/A GLU 48.A N GLN 109.A O no hydrogen 2.961 N/A VAL 49.A N ARG 31.A O no hydrogen 3.182 N/A ALA 50.A N GLY 107.A O no hydrogen 2.797 N/A VAL 51.A N ASP 29.A O no hydrogen 2.957 N/A ALA 52.A N ASN 138.A O no hydrogen 2.788 N/A ARG 53.A N TYR 27.A O no hydrogen 2.822 N/A ARG 53.A NE ASP 29.A OD2 no hydrogen 2.871 N/A ARG 53.A NH2 ASP 29.A OD1 no hydrogen 3.028 N/A LEU 61.A N SER 59.A OG no hydrogen 3.150 N/A GLY 62.A N SER 59.A OG no hydrogen 3.113 N/A ILE 75.A N SER 72.A O no hydrogen 2.929 N/A MET 79.A N GLY 102.A O no hydrogen 3.124 N/A MET 81.A N GLY 100.A O no hydrogen 2.967 N/A LYS 82.A N LEU 182.A O no hydrogen 2.857 N/A LEU 83.A N SER 98.A O no hydrogen 2.858 N/A TYR 84.A N TYR 184.A O no hydrogen 2.975 N/A MET 85.A N CYS 96.A O no hydrogen 2.843 N/A GLU 86.A N VAL 186.A O no hydrogen 3.080 N/A GLY 87.A N PHE 94.A O no hydrogen 3.068 N/A THR 88.A N ILE 188.A O no hydrogen 3.087 N/A THR 88.A OG1 HIS 93.A ND1 no hydrogen 2.776 N/A VAL 89.A N HIS 92.A O no hydrogen 2.979 N/A ASN 90.A N GLY 190.A O no hydrogen 2.782 N/A ASN 90.A ND2 PHE 193.A O no hydrogen 3.020 N/A HIS 92.A N VAL 89.A O no hydrogen 2.937 N/A HIS 92.A NE2 GLY 118.A O no hydrogen 2.724 N/A HIS 93.A ND1 THR 88.A OG1 no hydrogen 2.776 N/A PHE 94.A N GLY 87.A O no hydrogen 2.955 N/A LYS 95.A N GLU 117.A O no hydrogen 3.017 N/A LYS 95.A NZ GLU 86.A OE2 no hydrogen 2.732 N/A LYS 95.A NZ GLU 117.A OE2 no hydrogen 3.323 N/A CYS 96.A N MET 85.A O no hydrogen 2.840 N/A THR 97.A N LYS 114.A O no hydrogen 2.981 N/A SER 98.A N LEU 83.A O no hydrogen 3.036 N/A GLU 99.A N ARG 112.A O no hydrogen 3.137 N/A GLY 100.A N MET 81.A O no hydrogen 3.041 N/A GLU 101.A N THR 110.A O no hydrogen 3.177 N/A GLY 102.A N MET 79.A O no hydrogen 2.969 N/A LYS 103.A N THR 108.A O no hydrogen 2.801 N/A LYS 103.A NZ ASN 78.A OD1 no hydrogen 3.110 N/A TYR 105.A OH ILE 75.A O no hydrogen 2.704 N/A GLU 106.A N LYS 103.A O no hydrogen 3.075 N/A GLY 107.A N LYS 103.A O no hydrogen 2.894 N/A THR 108.A N LYS 103.A O no hydrogen 3.343 N/A GLN 109.A N GLU 48.A O no hydrogen 3.091 N/A GLN 109.A NE2 SER 133.A O no hydrogen 3.212 N/A THR 110.A N GLU 101.A O no hydrogen 2.944 N/A MET 111.A N GLN 46.A O no hydrogen 2.917 N/A ARG 112.A N GLU 99.A O no hydrogen 2.895 N/A ARG 112.A NE GLU 99.A OE2 no hydrogen 2.703 N/A ARG 112.A NH1 GLU 101.A OE1 no hydrogen 3.537 N/A ARG 112.A NH1 GLU 101.A OE2 no hydrogen 2.938 N/A ARG 112.A NH2 GLU 99.A OE1 no hydrogen 2.603 N/A ARG 112.A NH2 GLU 99.A OE2 no hydrogen 3.427 N/A ARG 112.A NH2 GLU 101.A OE1 no hydrogen 2.687 N/A ILE 113.A N VAL 44.A O no hydrogen 2.723 N/A LYS 114.A N THR 97.A O no hydrogen 2.880 N/A VAL 115.A N THR 42.A O no hydrogen 2.922 N/A VAL 116.A N LYS 95.A O no hydrogen 2.922 N/A GLU 117.A N LYS 95.A O no hydrogen 3.270 N/A ALA 124.A N VAL 199.A O no hydrogen 2.892 N/A PHE 125.A N GLU 41.A OE1 no hydrogen 3.030 N/A ILE 127.A N ALA 124.A O no hydrogen 3.242 N/A LEU 128.A N PHE 125.A O no hydrogen 2.851 N/A ALA 129.A N ASP 126.A O no hydrogen 3.173 N/A SER 131.A N LEU 128.A O no hydrogen 2.925 N/A PHE 132.A N ALA 129.A O no hydrogen 3.451 N/A SER 133.A OG GLN 109.A OE1 no hydrogen 2.615 N/A SER 133.A OG TYR 184.A OH no hydrogen 2.567 N/A LYS 134.A NZ TYR 11.A OH no hydrogen 3.410 N/A LYS 134.A NZ GLU 212.A OE1 no hydrogen 2.991 N/A PHE 136.A N SER 133.A O no hydrogen 3.262 N/A ASN 138.A N ALA 50.A O no hydrogen 2.954 N/A HIS 139.A ND1 ILE 137.A O no hydrogen 3.061 N/A HIS 139.A NE2 TYR 26.A OH no hydrogen 2.817 N/A THR 140.A N ASN 138.A OD1 no hydrogen 2.934 N/A THR 140.A OG1 ASN 138.A OD1 no hydrogen 2.682 N/A GLN 141.A NE2 ALA 52.A O no hydrogen 3.186 N/A GLY 142.A N HIS 139.A O no hydrogen 3.316 N/A ILE 143.A N HIS 139.A O no hydrogen 3.347 N/A ASP 145.A N SER 70.A OG no hydrogen 2.871 N/A PHE 147.A N ASP 145.A OD1 no hydrogen 3.183 N/A LYS 148.A N ASP 145.A OD1 no hydrogen 3.018 N/A LYS 148.A NZ PRO 104.A O no hydrogen 3.100 N/A LYS 148.A NZ THR 135.A O no hydrogen 2.933 N/A LYS 148.A NZ ILE 137.A O no hydrogen 2.873 N/A LYS 148.A NZ ASP 145.A OD2 no hydrogen 2.782 N/A GLN 149.A N ASP 145.A O no hydrogen 2.991 N/A GLN 149.A NE2 LYS 21.A O no hydrogen 2.902 N/A GLN 149.A NE2 ASP 145.A O no hydrogen 3.239 N/A SER 150.A N PHE 147.A O no hydrogen 3.046 N/A SER 150.A OG SER 13.A OG no hydrogen 2.633 N/A SER 150.A OG PHE 146.A O no hydrogen 2.855 N/A GLU 153.A N GLU 153.A OE2 no hydrogen 2.695 N/A GLY 154.A N SER 150.A O no hydrogen 2.792 N/A PHE 155.A N THR 175.A O no hydrogen 3.239 N/A THR 156.A N ARG 12.A O no hydrogen 2.863 N/A TRP 157.A N GLN 173.A O no hydrogen 3.088 N/A GLU 158.A N THR 10.A O no hydrogen 3.001 N/A ARG 159.A N ALA 171.A O no hydrogen 2.881 N/A ARG 159.A NE THR 9.A OG1 no hydrogen 2.776 N/A ARG 159.A NH1 THR 130.A O no hydrogen 2.996 N/A ARG 159.A NH2 TYR 11.A OH no hydrogen 3.179 N/A VAL 160.A N LYS 8.A O no hydrogen 3.042 N/A THR 161.A N LEU 169.A O no hydrogen 2.845 N/A THR 162.A N ASN 6.A O no hydrogen 2.888 N/A TYR 163.A N GLY 167.A O no hydrogen 2.798 N/A GLU 164.A N ILE 4.A O no hydrogen 3.019 N/A GLY 166.A N TYR 163.A O no hydrogen 3.177 N/A VAL 168.A N VAL 191.A O no hydrogen 3.002 N/A LEU 169.A N THR 161.A O no hydrogen 2.826 N/A THR 170.A N ARG 189.A O no hydrogen 2.897 N/A THR 170.A OG1 ARG 189.A O no hydrogen 3.122 N/A ALA 171.A N ARG 159.A O no hydrogen 3.002 N/A THR 172.A N LYS 187.A O no hydrogen 2.982 N/A GLN 173.A N TRP 157.A O no hydrogen 2.830 N/A ASP 174.A N ASN 185.A O no hydrogen 2.910 N/A THR 175.A N PHE 155.A O no hydrogen 2.871 N/A THR 175.A OG1 GLN 173.A OE1 no hydrogen 2.648 N/A SER 176.A N ILE 183.A O no hydrogen 2.947 N/A SER 176.A OG ILE 183.A O no hydrogen 3.549 N/A GLN 178.A N CYS 181.A O no hydrogen 2.955 N/A GLN 178.A NE2 SER 176.A OG no hydrogen 2.830 N/A CYS 181.A N GLN 178.A O no hydrogen 3.072 N/A CYS 181.A SG HIS 80.A O no hydrogen 3.705 N/A CYS 181.A SG LEU 182.A O no hydrogen 3.564 N/A LEU 182.A N HIS 80.A O no hydrogen 2.965 N/A ILE 183.A N SER 176.A O no hydrogen 2.843 N/A TYR 184.A N LYS 82.A O no hydrogen 2.832 N/A TYR 184.A OH SER 133.A OG no hydrogen 2.567 N/A ASN 185.A N ASP 174.A O no hydrogen 2.981 N/A VAL 186.A N TYR 84.A O no hydrogen 2.873 N/A LYS 187.A N THR 172.A O no hydrogen 2.910 N/A ILE 188.A N GLU 86.A O no hydrogen 2.991 N/A ARG 189.A N THR 170.A O no hydrogen 2.881 N/A ARG 189.A NH1 THR 88.A OG1 no hydrogen 2.867 N/A GLY 190.A N THR 88.A O no hydrogen 2.820 N/A VAL 191.A N VAL 168.A O no hydrogen 2.831 N/A PHE 193.A N ASN 90.A OD1 no hydrogen 3.061 N/A GLY 197.A N PRO 194.A O no hydrogen 2.984 N/A GLN 201.A N GLY 197.A O no hydrogen 3.023 N/A GLN 201.A NE2 SER 195.A O no hydrogen 2.657 N/A LYS 202.A N VAL 199.A O no hydrogen 3.227 N/A LYS 202.A NZ GLU 41.A OE1 no hydrogen 3.389 N/A LYS 203.A N PRO 198.A O no hydrogen 2.887 N/A THR 204.A OG1 ASP 126.A OD1 no hydrogen 2.742 N/A LEU 205.A N LYS 230.A O no hydrogen 2.790 N/A GLY 206.A N ASP 126.A OD1 no hydrogen 2.896 N/A TRP 207.A NE1 ASP 126.A O no hydrogen 2.902 N/A GLU 208.A N ALA 228.A O no hydrogen 2.972 N/A SER 210.A N ARG 30.A O no hydrogen 3.047 N/A THR 211.A OG1 ASP 29.A OD1 no hydrogen 2.713 N/A GLU 212.A N VAL 28.A O no hydrogen 2.833 N/A MET 213.A N ARG 224.A O no hydrogen 2.876 N/A LEU 214.A N TYR 26.A O no hydrogen 2.836 N/A TYR 215.A N GLU 222.A O no hydrogen 2.975 N/A ALA 217.A N GLY 220.A O no hydrogen 2.917 N/A LEU 221.A N TYR 11.A O no hydrogen 3.182 N/A GLU 222.A N TYR 215.A O no hydrogen 2.945 N/A GLY 223.A N THR 9.A O no hydrogen 2.837 N/A ARG 224.A N MET 213.A O no hydrogen 2.926 N/A ARG 224.A NH1 GLY 223.A O no hydrogen 2.877 N/A ARG 224.A NH2 GLU 222.A OE1 no hydrogen 3.137 N/A SER 225.A N LEU 7.A O no hydrogen 3.143 N/A SER 225.A OG THR 211.A O no hydrogen 2.941 N/A MET 227.A N CYS 5.A O no hydrogen 2.901 N/A LEU 229.A N LEU 3.A O no hydrogen 2.827 N/A LYS 230.A N GLY 206.A O no hydrogen 2.886 N/A LEU 231.A N GLY 1.A O no hydrogen 3.020 N/A VAL 232.A N LYS 203.A O no hydrogen 2.889 N/A