Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sii_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE GLY 98.A O no hydrogen 2.879 N/A ARG 5.A N ARG 1.A O no hydrogen 2.874 N/A ALA 6.A N HIS 2.A O no hydrogen 3.018 N/A ILE 7.A N SER 3.A O no hydrogen 3.080 N/A ALA 8.A N ARG 4.A O no hydrogen 2.901 N/A ALA 9.A N ARG 5.A O no hydrogen 3.047 N/A GLU 10.A N ALA 6.A O no hydrogen 2.994 N/A THR 11.A N ILE 7.A O no hydrogen 2.910 N/A THR 11.A OG1 ILE 7.A O no hydrogen 3.243 N/A THR 11.A OG1 ARG 108.A O no hydrogen 2.643 N/A VAL 12.A N ALA 8.A O no hydrogen 3.014 N/A GLU 13.A N ALA 9.A O no hydrogen 3.036 N/A ILE 14.A N GLU 10.A O no hydrogen 2.878 N/A LEU 15.A N THR 11.A O no hydrogen 2.877 N/A GLU 16.A N VAL 12.A O no hydrogen 3.034 N/A ARG 17.A N GLU 13.A O no hydrogen 2.761 N/A GLY 18.A N ILE 14.A O no hydrogen 2.767 N/A TYR 20.A N VAL 28.A O no hydrogen 3.037 N/A TYR 20.A OH LEU 155.A O no hydrogen 2.649 N/A ALA 22.A N ARG 26.A O no hydrogen 2.817 N/A SER 24.A N GLU 156.A OE2 no hydrogen 2.863 N/A SER 24.A OG GLU 156.A OE1 no hydrogen 2.635 N/A SER 24.A OG GLU 156.A OE2 no hydrogen 3.193 N/A GLY 25.A N ALA 22.A O no hydrogen 2.892 N/A ARG 26.A N SER 24.A OG no hydrogen 3.122 N/A VAL 28.A N TYR 20.A O no hydrogen 2.770 N/A ILE 30.A N GLY 18.A O no hydrogen 2.837 N/A ALA 31.A N GLY 18.A O no hydrogen 3.115 N/A VAL 34.A N ILE 30.A O no hydrogen 2.928 N/A ALA 35.A N ALA 31.A O no hydrogen 2.893 N/A GLN 36.A N ASP 32.A O no hydrogen 2.934 N/A ALA 37.A N HIS 33.A O no hydrogen 2.947 N/A VAL 38.A N VAL 34.A O no hydrogen 2.929 N/A ARG 39.A N ALA 35.A O no hydrogen 2.869 N/A GLY 40.A N GLN 36.A O no hydrogen 3.021 N/A THR 41.A N VAL 38.A O no hydrogen 3.106 N/A THR 41.A OG1 ALA 37.A O no hydrogen 2.712 N/A THR 41.A OG1 VAL 38.A O no hydrogen 3.411 N/A THR 41.A OG1 SER 115.A OG no hydrogen 2.592 N/A ARG 42.A N TYR 140.A O no hydrogen 2.943 N/A ARG 42.A NH1 ARG 39.A O no hydrogen 2.769 N/A ARG 42.A NH1 THR 41.A O no hydrogen 2.767 N/A TYR 44.A N LEU 138.A O no hydrogen 2.814 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.684 N/A LYS 48.A N ARG 45.A O no hydrogen 2.994 N/A LEU 49.A N ARG 45.A O no hydrogen 3.212 N/A ALA 50.A N PRO 46.A O no hydrogen 2.958 N/A VAL 51.A N GLU 47.A O no hydrogen 3.121 N/A LEU 52.A N LYS 48.A O no hydrogen 3.044 N/A LEU 53.A N LEU 49.A O no hydrogen 3.045 N/A LEU 53.A N ALA 50.A O no hydrogen 3.200 N/A GLU 54.A N VAL 51.A O no hydrogen 3.067 N/A THR 56.A OG1 PHE 241.A O no hydrogen 2.628 N/A ARG 57.A N ALA 242.A O no hydrogen 2.946 N/A GLU 59.A N VAL 244.A O no hydrogen 2.967 N/A THR 61.A N PHE 246.A O no hydrogen 2.984 N/A THR 61.A OG1 GLU 63.A OE1 no hydrogen 2.753 N/A GLU 63.A N THR 61.A OG1 no hydrogen 3.259 N/A THR 64.A OG1 ASP 150.A OD1 no hydrogen 2.690 N/A THR 64.A OG1 ASP 150.A OD2 no hydrogen 3.402 N/A ALA 67.A N THR 64.A OG1 no hydrogen 2.938 N/A ALA 68.A N THR 64.A O no hydrogen 3.005 N/A ALA 69.A N THR 65.A O no hydrogen 2.987 N/A ARG 70.A N LEU 66.A O no hydrogen 2.858 N/A ARG 71.A N ALA 67.A O no hydrogen 3.006 N/A ARG 71.A NE GLU 63.A OE2 no hydrogen 2.770 N/A ARG 71.A NH1 GLU 59.A OE1 no hydrogen 3.192 N/A ARG 71.A NH2 GLU 59.A OE1 no hydrogen 3.141 N/A ARG 71.A NH2 GLU 63.A OE1 no hydrogen 2.844 N/A LEU 72.A N ALA 68.A O no hydrogen 3.010 N/A THR 73.A N ALA 69.A O no hydrogen 2.905 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.719 N/A GLY 74.A N ARG 70.A O no hydrogen 3.094 N/A ALA 75.A N LEU 72.A O no hydrogen 3.072 N/A ALA 81.A N ARG 205.A O no hydrogen 3.103 N/A CYS 82.A N ALA 162.A O no hydrogen 2.835 N/A LEU 83.A N VAL 207.A O no hydrogen 3.041 N/A ASN 84.A N LEU 164.A O no hydrogen 2.848 N/A ASN 84.A ND2 GLU 103.A OE2 no hydrogen 3.186 N/A ASN 84.A ND2 THR 165.A OG1 no hydrogen 2.931 N/A PHE 85.A N GLN 102.A OE1 no hydrogen 2.860 N/A SER 87.A N GLU 103.A OE1 no hydrogen 2.744 N/A SER 87.A OG HIS 90.A O no hydrogen 3.538 N/A GLU 89.A N SER 87.A OG no hydrogen 3.049 N/A HIS 90.A N SER 87.A OG no hydrogen 3.017 N/A GLY 92.A N GLU 103.A OE2 no hydrogen 3.056 N/A GLY 93.A N HIS 90.A O no hydrogen 2.861 N/A GLY 94.A N GLU 104.A OE2 no hydrogen 2.929 N/A PHE 95.A N GLY 92.A O no hydrogen 3.147 N/A SER 97.A N GLY 94.A O no hydrogen 2.934 N/A GLY 98.A N PHE 95.A O no hydrogen 2.980 N/A ALA 99.A N GLY 94.A O no hydrogen 3.128 N/A GLN 102.A NE2 THR 65.A OG1 no hydrogen 2.893 N/A GLN 102.A NE2 LEU 83.A O no hydrogen 3.044 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 2.719 N/A GLY 105.A N ALA 101.A O no hydrogen 3.111 N/A LEU 106.A N GLN 102.A O no hydrogen 3.075 N/A ALA 107.A N GLU 103.A O no hydrogen 2.838 N/A ARG 108.A N GLU 104.A O no hydrogen 2.847 N/A SER 109.A N LEU 106.A O no hydrogen 3.086 N/A SER 109.A OG GLY 105.A O no hydrogen 2.713 N/A SER 110.A OG LEU 106.A O no hydrogen 2.749 N/A GLY 111.A N PRO 145.A O no hydrogen 2.879 N/A LEU 112.A N SER 110.A OG no hydrogen 3.029 N/A SER 115.A N GLY 111.A O no hydrogen 3.406 N/A SER 115.A OG THR 41.A OG1 no hydrogen 2.592 N/A SER 115.A OG SER 141.A OG no hydrogen 2.625 N/A LEU 116.A N LEU 112.A O no hydrogen 2.900 N/A ARG 117.A N TYR 113.A O no hydrogen 2.864 N/A ALA 118.A N SER 115.A O no hydrogen 3.137 N/A VAL 119.A N LEU 116.A O no hydrogen 3.016 N/A PHE 122.A N VAL 119.A O no hydrogen 3.179 N/A ALA 124.A N PRO 120.A O no hydrogen 2.875 N/A PHE 125.A N GLN 121.A O no hydrogen 3.056 N/A HIS 126.A N PHE 122.A O no hydrogen 3.408 N/A HIS 126.A ND1 ALA 88.A O no hydrogen 3.045 N/A HIS 126.A NE2 SER 135.A OG no hydrogen 2.774 N/A HIS 127.A N TYR 123.A O no hydrogen 2.937 N/A HIS 127.A NE2 GLU 89.A O no hydrogen 2.732 N/A ARG 128.A N ALA 124.A O no hydrogen 3.039 N/A GLN 129.A N PHE 125.A O no hydrogen 3.001 N/A ARG 130.A N HIS 126.A O no hydrogen 3.201 N/A LEU 133.A N ASP 131.A OD2 no hydrogen 2.928 N/A TYR 134.A N ASP 131.A O no hydrogen 2.902 N/A SER 135.A OG HIS 126.A NE2 no hydrogen 2.774 N/A HIS 137.A N SER 135.A OG no hydrogen 3.232 N/A LEU 138.A N TYR 44.A O no hydrogen 3.046 N/A ILE 139.A N THR 165.A O no hydrogen 2.965 N/A TYR 140.A N ARG 42.A O no hydrogen 2.863 N/A SER 141.A N PHE 163.A O no hydrogen 2.947 N/A SER 141.A OG SER 115.A OG no hydrogen 2.625 N/A GLY 143.A N GLN 79.A OE1 no hydrogen 3.098 N/A VAL 144.A N VAL 161.A O no hydrogen 2.784 N/A VAL 146.A N TYR 159.A O no hydrogen 2.645 N/A PHE 147.A N SER 109.A O no hydrogen 2.869 N/A ARG 148.A N SER 109.A O no hydrogen 3.301 N/A ARG 148.A NE THR 11.A OG1 no hydrogen 3.209 N/A ARG 148.A NE ARG 108.A O no hydrogen 2.916 N/A ARG 148.A NH1 GLU 10.A OE1 no hydrogen 3.112 N/A ARG 148.A NH1 GLY 152.A O no hydrogen 2.872 N/A ARG 148.A NH2 GLU 10.A OE1 no hydrogen 2.743 N/A ARG 148.A NH2 THR 11.A OG1 no hydrogen 3.032 N/A ASP 149.A N ARG 153.A O no hydrogen 2.985 N/A ALA 151.A N ASP 149.A OD1 no hydrogen 2.887 N/A GLY 152.A N ASP 149.A O no hydrogen 2.990 N/A ARG 153.A N ASP 149.A OD1 no hydrogen 2.986 N/A LEU 155.A N PHE 147.A O no hydrogen 2.872 N/A TYR 159.A N VAL 146.A O no hydrogen 3.092 N/A VAL 161.A N VAL 144.A O no hydrogen 3.076 N/A ALA 162.A N VAL 80.A O no hydrogen 2.872 N/A PHE 163.A N SER 141.A O no hydrogen 2.870 N/A LEU 164.A N CYS 82.A O no hydrogen 2.872 N/A THR 165.A N ILE 139.A O no hydrogen 2.846 N/A ASN 170.A N PRO 132.A O no hydrogen 2.728 N/A ASN 170.A ND2 TYR 134.A OH no hydrogen 3.273 N/A ARG 171.A N PRO 169.A O no hydrogen 2.990 N/A ARG 172.A N PHE 216.A O no hydrogen 3.000 N/A ALA 173.A N ASN 170.A O no hydrogen 3.044 N/A ALA 173.A N ASN 170.A OD1 no hydrogen 3.226 N/A ILE 174.A N ASN 170.A O no hydrogen 3.188 N/A GLY 175.A N ARG 171.A O no hydrogen 2.945 N/A LEU 177.A N ILE 174.A O no hydrogen 3.247 N/A ARG 178.A NH1 GLU 182.A OE2 no hydrogen 3.541 N/A THR 179.A N GLU 182.A OE1 no hydrogen 2.973 N/A GLU 182.A N THR 179.A OG1 no hydrogen 2.938 N/A ILE 183.A N THR 179.A O no hydrogen 3.068 N/A GLY 184.A N VAL 180.A O no hydrogen 2.877 N/A ARG 185.A N GLU 181.A O no hydrogen 2.951 N/A VAL 186.A N GLU 182.A O no hydrogen 3.062 N/A LEU 187.A N ILE 183.A O no hydrogen 2.891 N/A ARG 188.A N GLY 184.A O no hydrogen 2.899 N/A ARG 188.A NH2 GLY 229.A O no hydrogen 3.498 N/A GLY 189.A N ARG 185.A O no hydrogen 2.999 N/A ARG 190.A N VAL 186.A O no hydrogen 3.047 N/A ARG 190.A NE ASP 136.A OD1 no hydrogen 2.843 N/A ARG 190.A NH1 LEU 133.A O no hydrogen 2.902 N/A ARG 190.A NH2 LEU 133.A O no hydrogen 2.856 N/A ARG 190.A NH2 PRO 167.A O no hydrogen 2.846 N/A ALA 191.A N LEU 187.A O no hydrogen 2.833 N/A ALA 192.A N ARG 188.A O no hydrogen 2.958 N/A LYS 193.A N GLY 189.A O no hydrogen 3.294 N/A LYS 193.A NZ PRO 46.A O no hydrogen 3.195 N/A LYS 193.A NZ ASP 136.A OD2 no hydrogen 2.947 N/A VAL 194.A N ARG 190.A O no hydrogen 3.011 N/A LEU 195.A N ALA 191.A O no hydrogen 3.010 N/A ALA 196.A N ALA 192.A O no hydrogen 2.870 N/A ALA 197.A N LYS 193.A O no hydrogen 2.906 N/A ALA 198.A N VAL 194.A O no hydrogen 2.995 N/A ARG 199.A N LEU 195.A O no hydrogen 2.971 N/A ARG 199.A NE ARG 240.A O no hydrogen 3.218 N/A ARG 199.A NH1 ARG 199.A O no hydrogen 3.306 N/A HIS 200.A N ALA 196.A O no hydrogen 2.851 N/A HIS 201.A N ALA 197.A O no hydrogen 3.127 N/A HIS 201.A ND1 ALA 197.A O no hydrogen 3.299 N/A GLY 202.A N ARG 199.A O no hydrogen 2.939 N/A HIS 203.A N ALA 198.A O no hydrogen 3.047 N/A ARG 205.A NE ASP 78.A OD2 no hydrogen 2.839 N/A ARG 205.A NH1 LEU 72.A O no hydrogen 2.786 N/A ARG 205.A NH2 LEU 72.A O no hydrogen 3.118 N/A ARG 205.A NH2 ASP 78.A O no hydrogen 3.007 N/A LEU 206.A N HIS 243.A O no hydrogen 2.921 N/A VAL 207.A N ALA 81.A O no hydrogen 2.840 N/A LEU 208.A N VAL 245.A O no hydrogen 2.771 N/A TRP 211.A NE1 SER 166.A O no hydrogen 2.904 N/A CYS 213.A N ALA 210.A O no hydrogen 3.021 N/A CYS 213.A SG TRP 211.A O no hydrogen 3.464 N/A CYS 213.A SG ASN 218.A O no hydrogen 3.769 N/A GLY 217.A N GLY 214.A O no hydrogen 2.968 N/A ASN 218.A N GLY 212.A O no hydrogen 2.821 N/A ASN 218.A ND2 PRO 169.A O no hydrogen 2.893 N/A ASN 218.A ND2 GLY 212.A O no hydrogen 3.006 N/A ALA 221.A N ASP 219.A OD1 no hydrogen 3.013 N/A GLN 222.A NE2 VAL 180.A O no hydrogen 2.937 N/A VAL 223.A N ASP 219.A O no hydrogen 2.960 N/A ALA 224.A N PRO 220.A O no hydrogen 2.836 N/A GLU 225.A N ALA 221.A O no hydrogen 2.878 N/A THR 226.A N GLN 222.A O no hydrogen 2.882 N/A THR 226.A OG1 GLN 222.A O no hydrogen 2.791 N/A PHE 227.A N VAL 223.A O no hydrogen 3.157 N/A ALA 228.A N ALA 224.A O no hydrogen 2.911 N/A GLY 229.A N GLU 225.A O no hydrogen 2.899 N/A LEU 230.A N THR 226.A O no hydrogen 3.391 N/A LEU 230.A N PHE 227.A O no hydrogen 3.134 N/A LEU 231.A N PHE 227.A O no hydrogen 2.947 N/A LEU 231.A N ALA 228.A O no hydrogen 3.270 N/A LEU 232.A N ALA 228.A O no hydrogen 2.757 N/A GLY 235.A N LEU 232.A O no hydrogen 2.931 N/A PHE 237.A N LEU 230.A O no hydrogen 2.879 N/A ALA 238.A N GLY 235.A O no hydrogen 2.987 N/A ARG 240.A N PHE 237.A O no hydrogen 3.049 N/A ARG 240.A NE PRO 236.A O no hydrogen 2.836 N/A ALA 242.A N ARG 204.A O no hydrogen 2.710 N/A HIS 243.A N ARG 204.A O no hydrogen 3.286 N/A HIS 243.A NE2 GLU 59.A OE1 no hydrogen 2.845 N/A VAL 244.A N ARG 57.A O no hydrogen 2.814 N/A VAL 245.A N LEU 206.A O no hydrogen 2.910 N/A PHE 246.A N GLU 59.A O no hydrogen 2.749 N/A ALA 247.A N LEU 208.A O no hydrogen 2.988 N/A VAL 248.A N THR 61.A O no hydrogen 2.958 N/A ALA 252.A N ASP 250.A OD1 no hydrogen 3.136 N/A ALA 255.A N ALA 252.A O no hydrogen 2.882 N/A ARG 257.A N ASP 250.A OD2 no hydrogen 2.834 N/A ARG 257.A NE ASP 250.A OD2 no hydrogen 2.727 N/A ARG 257.A NH1 CYS 213.A O no hydrogen 2.969 N/A ARG 257.A NH2 ASP 250.A OD1 no hydrogen 2.891 N/A ARG 257.A NH2 ASP 250.A OD2 no hydrogen 3.479 N/A ALA 259.A N ALA 255.A O no hydrogen 2.941 N/A ALA 260.A N PRO 256.A O no hydrogen 3.057 N/A PHE 261.A N ARG 257.A O no hydrogen 3.387 N/A ALA 262.A N HIS 258.A O no hydrogen 2.862 N/A ARG 263.A N ALA 259.A O no hydrogen 2.875 N/A ARG 264.A N ALA 260.A O no hydrogen 3.219 N/A ARG 264.A NE GLU 225.A OE1 no hydrogen 3.020 N/A ARG 264.A NH1 ARG 264.A O no hydrogen 2.721 N/A PHE 265.A N PHE 261.A O no hydrogen 2.929 N/A