Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qna_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N SER 74.A O no hydrogen 2.969 N/A GLU 8.A N ASP 5.A O no hydrogen 3.226 N/A LEU 9.A N PRO 6.A O no hydrogen 2.967 N/A PHE 10.A N PRO 6.A O no hydrogen 2.827 N/A THR 11.A N ILE 28.A O no hydrogen 2.928 N/A THR 11.A OG1 ASN 30.A OD1 no hydrogen 2.737 N/A LEU 13.A N LYS 26.A O no hydrogen 2.721 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.842 N/A LYS 15.A NZ GLY 17.A O no hydrogen 2.547 N/A LYS 15.A NZ GLU 23.A OE2 no hydrogen 3.012 N/A ILE 16.A N VAL 24.A O no hydrogen 2.862 N/A GLY 17.A N VAL 24.A O no hydrogen 3.147 N/A LYS 18.A NZ ILE 16.A O no hydrogen 2.669 N/A GLU 23.A N ILE 40.A O no hydrogen 3.348 N/A VAL 24.A N GLY 17.A O no hydrogen 3.115 N/A PHE 25.A N ILE 38.A O no hydrogen 2.658 N/A LYS 26.A N GLU 14.A O no hydrogen 2.728 N/A LYS 26.A NZ TYR 87.A OH no hydrogen 3.341 N/A GLY 27.A N VAL 36.A O no hydrogen 2.793 N/A ILE 28.A N THR 11.A O no hydrogen 2.910 N/A ASP 29.A N LYS 34.A O no hydrogen 2.873 N/A ASN 30.A N LEU 9.A O no hydrogen 2.774 N/A ARG 31.A N ASP 29.A OD1 no hydrogen 2.846 N/A ARG 31.A NE ASP 29.A OD1 no hydrogen 3.256 N/A ARG 31.A NH2 ASP 29.A OD2 no hydrogen 3.561 N/A THR 32.A N ASP 29.A O no hydrogen 3.259 N/A GLN 33.A N ASP 29.A O no hydrogen 2.645 N/A LYS 34.A N THR 32.A OG1 no hydrogen 3.100 N/A VAL 36.A N GLY 27.A O no hydrogen 2.755 N/A ALA 37.A N MET 85.A O no hydrogen 2.847 N/A ILE 38.A N PHE 25.A O no hydrogen 2.658 N/A LYS 39.A N ILE 83.A O no hydrogen 2.845 N/A LYS 39.A NZ GLU 56.A OE1 no hydrogen 2.683 N/A LYS 39.A NZ GLU 56.A OE2 no hydrogen 2.752 N/A ILE 40.A N GLU 23.A O no hydrogen 2.801 N/A ILE 41.A N LEU 81.A O no hydrogen 2.868 N/A LEU 43.A N THR 79.A O no hydrogen 3.086 N/A GLU 45.A N ASP 42.A O no hydrogen 3.142 N/A ALA 46.A N ASP 42.A O no hydrogen 3.036 N/A GLU 49.A N ALA 46.A O no hydrogen 3.274 N/A ASP 52.A N GLU 49.A O no hydrogen 2.757 N/A ILE 53.A N GLU 49.A O no hydrogen 2.898 N/A GLN 54.A N ILE 50.A O no hydrogen 2.880 N/A GLN 55.A N GLU 51.A O no hydrogen 3.074 N/A GLN 55.A NE2 ALA 152.A O no hydrogen 2.841 N/A GLU 56.A N ASP 52.A O no hydrogen 2.902 N/A ILE 57.A N ILE 53.A O no hydrogen 3.137 N/A THR 58.A N GLN 54.A O no hydrogen 3.018 N/A THR 58.A OG1 GLN 54.A O no hydrogen 2.928 N/A VAL 59.A N GLN 55.A O no hydrogen 2.970 N/A LEU 60.A N GLU 56.A O no hydrogen 2.945 N/A SER 61.A N ILE 57.A O no hydrogen 2.899 N/A SER 61.A OG ILE 57.A O no hydrogen 3.241 N/A SER 61.A OG THR 58.A O no hydrogen 2.834 N/A GLN 62.A N VAL 59.A O no hydrogen 3.041 N/A CYS 63.A N LEU 60.A O no hydrogen 3.128 N/A CYS 63.A SG VAL 59.A O no hydrogen 3.300 N/A ASP 64.A N TYR 120.A OH no hydrogen 2.844 N/A TYR 67.A N SER 65.A OG no hydrogen 3.106 N/A VAL 68.A N SER 65.A O no hydrogen 3.207 N/A THR 69.A N LEU 146.A O no hydrogen 3.161 N/A LYS 70.A N GLU 86.A OE2 no hydrogen 2.845 N/A TYR 71.A OH SER 74.A OG no hydrogen 2.365 N/A TYR 72.A N ILE 84.A O no hydrogen 2.846 N/A GLY 73.A N ILE 84.A O no hydrogen 3.476 N/A SER 74.A OG TYR 71.A OH no hydrogen 2.365 N/A TYR 75.A N TRP 82.A O no hydrogen 2.725 N/A LEU 76.A N LYS 3.A O no hydrogen 2.991 N/A LYS 77.A N LYS 80.A O no hydrogen 2.966 N/A LYS 80.A N LYS 77.A O no hydrogen 2.868 N/A LYS 80.A NZ ASP 42.A OD2 no hydrogen 3.148 N/A LEU 81.A N ILE 41.A O no hydrogen 2.747 N/A TRP 82.A N TYR 75.A O no hydrogen 2.707 N/A ILE 83.A N LYS 39.A O no hydrogen 2.828 N/A ILE 84.A N GLY 73.A O no hydrogen 2.973 N/A MET 85.A N ALA 37.A O no hydrogen 2.827 N/A GLU 86.A N LYS 70.A O no hydrogen 2.799 N/A GLY 90.A N LEU 138.A O no hydrogen 2.736 N/A SER 92.A N ASP 95.A OD2 no hydrogen 2.889 N/A ALA 93.A N VAL 136.A O no hydrogen 2.747 N/A LEU 94.A N ALA 133.A O no hydrogen 3.337 N/A ASP 95.A N SER 92.A OG no hydrogen 3.047 N/A LEU 96.A N SER 92.A O no hydrogen 3.025 N/A LEU 97.A N ALA 93.A O no hydrogen 3.222 N/A LEU 97.A N LEU 94.A O no hydrogen 3.094 N/A GLU 98.A N ASP 95.A O no hydrogen 2.897 N/A GLY 100.A N LEU 97.A O no hydrogen 3.216 N/A ASP 103.A N GLN 106.A OE1 no hydrogen 2.934 N/A GLN 106.A N ASP 103.A OD1 no hydrogen 2.833 N/A ILE 107.A N ASP 103.A O no hydrogen 2.967 N/A ALA 108.A N GLU 104.A O no hydrogen 2.818 N/A THR 109.A N THR 105.A O no hydrogen 2.926 N/A THR 109.A OG1 THR 105.A O no hydrogen 2.684 N/A ILE 110.A N GLN 106.A O no hydrogen 3.031 N/A LEU 111.A N ILE 107.A O no hydrogen 2.938 N/A ARG 112.A N ALA 108.A O no hydrogen 2.905 N/A GLU 113.A N THR 109.A O no hydrogen 3.257 N/A ILE 114.A N ILE 110.A O no hydrogen 2.967 N/A LEU 115.A N LEU 111.A O no hydrogen 2.841 N/A LYS 116.A N ARG 112.A O no hydrogen 3.010 N/A LYS 116.A NZ GLU 113.A OE1 no hydrogen 2.817 N/A GLY 117.A N GLU 113.A O no hydrogen 3.070 N/A LEU 118.A N ILE 114.A O no hydrogen 2.838 N/A ASP 119.A N LEU 115.A O no hydrogen 2.814 N/A TYR 120.A N LYS 116.A O no hydrogen 3.068 N/A LEU 121.A N GLY 117.A O no hydrogen 2.930 N/A HIS 122.A N LEU 118.A O no hydrogen 2.743 N/A HIS 122.A NE2 ASP 186.A OD2 no hydrogen 2.818 N/A SER 123.A N ASP 119.A O no hydrogen 2.945 N/A SER 123.A OG ASP 119.A O no hydrogen 3.348 N/A SER 123.A OG TYR 120.A O no hydrogen 2.670 N/A GLU 124.A N TYR 120.A O no hydrogen 3.089 N/A LYS 125.A N HIS 122.A O no hydrogen 3.079 N/A LYS 126.A N LEU 121.A O no hydrogen 2.887 N/A LYS 126.A NZ GLN 62.A OE1 no hydrogen 2.974 N/A LYS 126.A NZ GLN 154.A OE1 no hydrogen 2.793 N/A ILE 127.A N GLY 153.A O no hydrogen 2.819 N/A HIS 128.A N ASP 186.A OD2 no hydrogen 2.803 N/A HIS 128.A NE2 ALA 147.A O no hydrogen 2.797 N/A ARG 129.A N ASP 186.A OD1 no hydrogen 2.842 N/A ARG 129.A NE VAL 151.A O no hydrogen 2.762 N/A ARG 129.A NH1 TYR 181.A OH no hydrogen 2.777 N/A ARG 129.A NH2 VAL 151.A O no hydrogen 3.216 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 2.959 N/A LYS 132.A NZ THR 167.A OG1 no hydrogen 2.756 N/A ALA 133.A N GLU 196.A OE1 no hydrogen 2.985 N/A ASN 135.A N LYS 132.A O no hydrogen 2.993 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.874 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 3.090 N/A VAL 136.A N ALA 133.A O no hydrogen 3.128 N/A LEU 137.A N LYS 145.A O no hydrogen 2.851 N/A LEU 138.A N GLY 91.A O no hydrogen 2.871 N/A SER 139.A N GLU 143.A O no hydrogen 2.932 N/A SER 139.A OG GLU 143.A OE2 no hydrogen 2.466 N/A HIS 141.A N SER 139.A OG no hydrogen 3.167 N/A GLY 142.A N SER 139.A O no hydrogen 3.244 N/A GLU 143.A N SER 139.A OG no hydrogen 3.203 N/A LYS 145.A N LEU 137.A O no hydrogen 2.824 N/A LYS 145.A NZ GLU 86.A OE1 no hydrogen 2.346 N/A LYS 145.A NZ GLU 86.A OE2 no hydrogen 3.159 N/A LEU 146.A N TYR 67.A O no hydrogen 2.813 N/A ALA 147.A N ASN 135.A O no hydrogen 2.892 N/A ALA 152.A N PHE 149.A O no hydrogen 3.130 N/A GLY 153.A N ILE 127.A O no hydrogen 2.773 N/A GLN 154.A NE2 GLU 124.A O no hydrogen 3.154 N/A GLN 154.A NE2 LEU 155.A O no hydrogen 2.937 N/A LEU 155.A N LYS 125.A O no hydrogen 2.829 N/A THR 156.A N GLN 159.A O no hydrogen 2.838 N/A THR 156.A OG1 THR 158.A OG1 no hydrogen 3.369 N/A THR 158.A OG1 THR 156.A OG1 no hydrogen 3.369 N/A GLN 159.A N THR 156.A O no hydrogen 3.173 N/A GLN 159.A N THR 156.A OG1 no hydrogen 2.990 N/A LYS 161.A NZ ASP 182.A OD2 no hydrogen 3.355 N/A ARG 162.A N TYR 181.A O no hydrogen 2.701 N/A ARG 162.A NE GLN 154.A O no hydrogen 3.292 N/A ARG 162.A NH2 GLN 154.A O no hydrogen 3.387 N/A THR 167.A OG1 ASP 130.A OD1 no hydrogen 2.595 N/A TRP 170.A N THR 167.A O no hydrogen 2.744 N/A TRP 170.A NE1 GLU 196.A OE1 no hydrogen 2.936 N/A MET 171.A N PRO 168.A O no hydrogen 3.100 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.806 N/A VAL 175.A N ALA 172.A O no hydrogen 3.053 N/A ILE 176.A N ALA 172.A O no hydrogen 3.154 N/A LYS 177.A N PRO 173.A O no hydrogen 2.966 N/A GLN 178.A N VAL 175.A O no hydrogen 2.932 N/A SER 179.A N GLU 174.A O no hydrogen 2.878 N/A TYR 181.A N ARG 162.A O no hydrogen 2.811 N/A LYS 184.A N ASP 182.A OD1 no hydrogen 2.984 N/A LYS 184.A NZ PRO 244.A O no hydrogen 3.395 N/A LYS 184.A NZ ARG 247.A O no hydrogen 2.785 N/A ALA 185.A N ASP 182.A O no hydrogen 2.998 N/A ASP 186.A N SER 183.A O no hydrogen 2.885 N/A TRP 188.A N LYS 184.A O no hydrogen 3.188 N/A SER 189.A N ALA 185.A O no hydrogen 3.122 N/A SER 189.A OG TRP 170.A O no hydrogen 2.771 N/A SER 189.A OG ALA 185.A O no hydrogen 3.372 N/A LEU 190.A N ASP 186.A O no hydrogen 2.808 N/A GLY 191.A N ILE 187.A O no hydrogen 3.049 N/A ILE 192.A N TRP 188.A O no hydrogen 3.011 N/A THR 193.A N SER 189.A O no hydrogen 2.785 N/A THR 193.A OG1 SER 189.A O no hydrogen 2.815 N/A ALA 194.A N LEU 190.A O no hydrogen 2.830 N/A ILE 195.A N GLY 191.A O no hydrogen 3.158 N/A GLU 196.A N ILE 192.A O no hydrogen 2.904 N/A LEU 197.A N THR 193.A O no hydrogen 2.809 N/A ALA 198.A N ALA 194.A O no hydrogen 2.983 N/A ARG 199.A N ILE 195.A O no hydrogen 2.699 N/A GLY 200.A N GLU 196.A O no hydrogen 2.697 N/A SER 205.A OG PRO 202.A O no hydrogen 3.539 N/A SER 205.A OG GLU 206.A OE2 no hydrogen 3.345 N/A LEU 207.A N HIS 204.A O no hydrogen 3.031 N/A MET 210.A N HIS 208.A ND1 no hydrogen 2.992 N/A VAL 212.A N HIS 208.A O no hydrogen 3.397 N/A VAL 212.A N PRO 209.A O no hydrogen 3.139 N/A LEU 213.A N PRO 209.A O no hydrogen 3.271 N/A LEU 213.A N MET 210.A O no hydrogen 3.262 N/A PHE 214.A N LYS 211.A O no hydrogen 3.224 N/A LEU 215.A N LYS 211.A O no hydrogen 3.158 N/A ILE 216.A N VAL 212.A O no hydrogen 2.871 N/A LYS 218.A N PHE 214.A O no hydrogen 3.296 N/A ASN 219.A N LEU 215.A O no hydrogen 2.902 N/A TYR 228.A N GLY 226.A O no hydrogen 2.980 N/A TYR 228.A OH ALA 198.A O no hydrogen 2.979 N/A SER 229.A N GLU 104.A OE2 no hydrogen 2.797 N/A SER 229.A OG GLU 104.A OE1 no hydrogen 2.504 N/A LEU 232.A N SER 229.A OG no hydrogen 3.338 N/A LYS 233.A N SER 229.A O no hydrogen 3.083 N/A LYS 233.A NZ GLY 226.A O no hydrogen 2.948 N/A GLU 234.A N LYS 230.A O no hydrogen 2.860 N/A PHE 235.A N PRO 231.A O no hydrogen 2.827 N/A VAL 236.A N LEU 232.A O no hydrogen 3.074 N/A GLU 237.A N LYS 233.A O no hydrogen 3.005 N/A ALA 238.A N GLU 234.A O no hydrogen 2.924 N/A CYS 239.A N PHE 235.A O no hydrogen 3.240 N/A CYS 239.A SG PHE 235.A O no hydrogen 3.538 N/A LEU 240.A N VAL 236.A O no hydrogen 2.889 N/A LYS 242.A NZ PRO 217.A O no hydrogen 3.212 N/A LYS 242.A NZ ASN 219.A O no hydrogen 2.905 N/A GLU 243.A N ASN 241.A OD1 no hydrogen 3.128 N/A SER 245.A N GLU 243.A OE1 no hydrogen 3.122 N/A SER 245.A OG GLU 243.A OE1 no hydrogen 2.682 N/A PHE 246.A N GLU 243.A O no hydrogen 2.988 N/A ARG 247.A N PRO 244.A O no hydrogen 3.012 N/A ARG 247.A NE ASN 241.A O no hydrogen 2.736 N/A ARG 247.A NH1 GLU 174.A OE1 no hydrogen 3.560 N/A ARG 247.A NH1 GLU 174.A OE2 no hydrogen 2.752 N/A ARG 247.A NH1 LYS 184.A O no hydrogen 2.926 N/A ARG 247.A NH2 GLU 174.A OE1 no hydrogen 2.775 N/A ARG 247.A NH2 GLU 174.A OE2 no hydrogen 3.544 N/A ARG 247.A NH2 ASN 241.A O no hydrogen 3.085 N/A THR 249.A N GLU 252.A OE2 no hydrogen 2.988 N/A LYS 251.A NZ ASP 119.A OD1 no hydrogen 3.109 N/A LYS 251.A NZ ASP 119.A OD2 no hydrogen 3.245 N/A GLU 252.A N THR 249.A OG1 no hydrogen 3.062 N/A LEU 253.A N THR 249.A O no hydrogen 3.018 N/A LEU 254.A N ALA 250.A O no hydrogen 3.052 N/A LEU 254.A N LYS 251.A O no hydrogen 3.286 N/A LYS 255.A N GLU 252.A O no hydrogen 3.063 N/A HIS 256.A N LEU 253.A O no hydrogen 2.986 N/A PHE 258.A N HIS 256.A ND1 no hydrogen 2.950 N/A LEU 260.A N HIS 256.A O no hydrogen 2.969 N/A ARG 261.A N LYS 257.A O no hydrogen 2.892 N/A ASN 262.A N PHE 258.A O no hydrogen 3.186 N/A ASN 262.A ND2 PHE 258.A O no hydrogen 3.135 N/A ALA 263.A N ILE 259.A O no hydrogen 3.013 N/A LYS 264.A N THR 109.A OG1 no hydrogen 3.045 N/A LYS 264.A NZ ARG 261.A O no hydrogen 3.278 N/A LYS 264.A NZ ALA 263.A O no hydrogen 3.261 N/A LYS 265.A NZ SER 267.A OG no hydrogen 3.372 N/A TYR 268.A N LYS 265.A O no hydrogen 3.134 N/A LEU 269.A N THR 266.A O no hydrogen 2.846 N/A THR 270.A N SER 267.A O no hydrogen 3.083 N/A THR 270.A OG1 SER 267.A O no hydrogen 3.000 N/A GLU 271.A N TYR 268.A O no hydrogen 3.255 N/A ILE 273.A N LEU 269.A O no hydrogen 3.022 N/A ASP 274.A N THR 270.A O no hydrogen 2.765 N/A ARG 275.A N GLU 271.A O no hydrogen 3.056 N/A ARG 275.A NH1 PRO 101.A O no hydrogen 3.000 N/A ARG 275.A NH2 LEU 96.A O no hydrogen 2.973 N/A ARG 275.A NH2 GLY 100.A O no hydrogen 2.936 N/A ARG 275.A NH2 PRO 101.A O no hydrogen 3.469 N/A TYR 276.A N LEU 272.A O no hydrogen 3.137 N/A LYS 277.A N ILE 273.A O no hydrogen 2.999 N/A ARG 278.A N ASP 274.A O no hydrogen 2.899 N/A TRP 279.A N ARG 275.A O no hydrogen 2.960 N/A LYS 280.A N TYR 276.A O no hydrogen 2.753 N/A ALA 281.A N LYS 277.A O no hydrogen 3.114 N/A GLU 282.A N ARG 278.A O no hydrogen 3.310 N/A GLU 282.A N TRP 279.A O no hydrogen 3.302 N/A GLN 283.A N LYS 280.A O no hydrogen 3.411 N/A