Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1yi6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ASP 1.A OD2 no hydrogen 3.309 N/A GLU 4.A N ASP 1.A O no hydrogen 3.016 N/A ILE 5.A N VAL 71.A O no hydrogen 3.211 N/A ARG 7.A NH1 GLU 74.A O no hydrogen 2.874 N/A ARG 7.A NH1 PRO 76.A O no hydrogen 3.050 N/A ARG 7.A NH2 PRO 76.A O no hydrogen 2.941 N/A SER 9.A N PRO 6.A O no hydrogen 3.183 N/A SER 9.A OG PRO 6.A O no hydrogen 2.681 N/A LEU 10.A N ARG 7.A O no hydrogen 3.083 N/A ARG 11.A N THR 28.A O no hydrogen 2.962 N/A ARG 11.A NE GLU 13.A OE2 no hydrogen 3.200 N/A ARG 11.A NH2 GLU 13.A OE2 no hydrogen 2.911 N/A GLU 13.A N MET 26.A O no hydrogen 2.961 N/A VAL 14.A N MET 26.A O no hydrogen 3.097 N/A LYS 15.A NZ GLN 18.A OE1 no hydrogen 2.738 N/A LYS 15.A NZ GLU 23.A OE1 no hydrogen 3.312 N/A LEU 16.A N VAL 24.A O no hydrogen 2.829 N/A GLY 17.A N VAL 24.A O no hydrogen 3.182 N/A GLY 19.A N GLY 22.A O no hydrogen 2.921 N/A GLU 23.A N THR 39.A O no hydrogen 3.334 N/A GLU 23.A N THR 39.A OG1 no hydrogen 2.873 N/A VAL 24.A N GLY 17.A O no hydrogen 2.796 N/A TRP 25.A N ILE 37.A O no hydrogen 2.744 N/A TRP 25.A NE1 GLU 23.A OE2 no hydrogen 2.969 N/A MET 26.A N VAL 14.A O no hydrogen 2.767 N/A GLY 27.A N VAL 35.A O no hydrogen 2.885 N/A THR 28.A N ARG 11.A O no hydrogen 2.971 N/A THR 28.A OG1 GLU 13.A OE2 no hydrogen 2.823 N/A TRP 29.A N THR 33.A O no hydrogen 2.623 N/A ASN 30.A N SER 9.A O no hydrogen 2.804 N/A THR 32.A N TRP 29.A O no hydrogen 3.152 N/A THR 32.A OG1 THR 33.A OG1 no hydrogen 3.404 N/A THR 33.A N TRP 29.A O no hydrogen 2.979 N/A THR 33.A OG1 THR 32.A OG1 no hydrogen 3.404 N/A VAL 35.A N GLY 27.A O no hydrogen 2.821 N/A ALA 36.A N THR 80.A O no hydrogen 2.836 N/A ILE 37.A N TRP 25.A O no hydrogen 2.736 N/A LYS 38.A N ILE 78.A O no hydrogen 2.869 N/A LYS 38.A NZ GLU 53.A OE1 no hydrogen 2.750 N/A THR 39.A N GLU 23.A O no hydrogen 2.788 N/A THR 39.A OG1 GLU 23.A O no hydrogen 3.361 N/A LEU 40.A N ILE 77.A O no hydrogen 3.153 N/A LYS 41.A N PHE 21.A O no hydrogen 2.982 N/A THR 44.A N LYS 41.A O no hydrogen 3.146 N/A THR 44.A OG1 PHE 21.A O no hydrogen 3.442 N/A THR 44.A OG1 LYS 41.A O no hydrogen 2.724 N/A ALA 49.A N SER 46.A OG no hydrogen 3.128 N/A PHE 50.A N SER 46.A O no hydrogen 2.930 N/A LEU 51.A N PRO 47.A O no hydrogen 2.911 N/A ALA 54.A N LEU 51.A O no hydrogen 2.982 N/A GLN 55.A N LEU 51.A O no hydrogen 3.071 N/A VAL 56.A N GLN 52.A O no hydrogen 3.095 N/A MET 57.A N GLU 53.A O no hydrogen 3.155 N/A LYS 58.A N ALA 54.A O no hydrogen 3.214 N/A LYS 58.A N GLN 55.A O no hydrogen 3.272 N/A LYS 58.A NZ ASP 1.A OD2 no hydrogen 3.135 N/A LYS 58.A NZ GLN 55.A OE1 no hydrogen 3.548 N/A LYS 59.A N VAL 56.A O no hydrogen 3.030 N/A LYS 59.A NZ GLN 55.A O no hydrogen 2.640 N/A LEU 60.A N VAL 56.A O no hydrogen 2.844 N/A ARG 61.A N TYR 118.A OH no hydrogen 2.872 N/A ARG 61.A NE LYS 58.A O no hydrogen 3.319 N/A LYS 64.A N HIS 62.A ND1 no hydrogen 3.025 N/A LYS 64.A NZ GLN 111.A OE1 no hydrogen 2.749 N/A LEU 65.A N HIS 62.A O no hydrogen 3.168 N/A VAL 66.A N VAL 144.A O no hydrogen 2.938 N/A GLN 67.A N GLU 81.A OE1 no hydrogen 2.874 N/A TYR 69.A N VAL 79.A O no hydrogen 2.765 N/A ALA 70.A N VAL 79.A O no hydrogen 3.141 N/A VAL 71.A N TRP 3.A O no hydrogen 3.217 N/A SER 73.A N GLU 4.A OE1 no hydrogen 3.345 N/A SER 73.A N GLU 4.A OE2 no hydrogen 2.727 N/A SER 73.A OG GLU 4.A OE1 no hydrogen 2.690 N/A VAL 79.A N ALA 70.A O no hydrogen 2.868 N/A THR 80.A N ALA 36.A O no hydrogen 2.925 N/A GLU 81.A N GLN 67.A O no hydrogen 3.086 N/A SER 84.A OG GLU 138.A OE1 no hydrogen 2.794 N/A LYS 85.A N VAL 136.A O no hydrogen 2.860 N/A LYS 85.A NZ GLU 138.A OE1 no hydrogen 3.552 N/A LYS 85.A NZ GLU 138.A OE2 no hydrogen 3.521 N/A GLY 86.A N MET 83.A O no hydrogen 3.175 N/A LEU 88.A N ILE 134.A O no hydrogen 2.860 N/A LEU 89.A N ALA 131.A O no hydrogen 3.287 N/A ASP 90.A N SER 87.A OG no hydrogen 3.087 N/A PHE 91.A N SER 87.A O no hydrogen 2.930 N/A LEU 92.A N LEU 88.A O no hydrogen 2.778 N/A LYS 93.A N LEU 89.A O no hydrogen 2.998 N/A GLY 94.A N ASP 90.A O no hydrogen 2.795 N/A GLY 97.A N GLY 94.A O no hydrogen 3.041 N/A TYR 99.A N THR 96.A O no hydrogen 2.969 N/A LEU 100.A N GLY 97.A O no hydrogen 3.110 N/A ARG 101.A N GLN 104.A OE1 no hydrogen 2.950 N/A ARG 101.A NH1 LYS 98.A O no hydrogen 2.762 N/A ARG 101.A NH1 LEU 100.A O no hydrogen 3.184 N/A LEU 102.A N LEU 274.A OXT no hydrogen 2.825 N/A LEU 105.A N ARG 101.A O no hydrogen 3.040 N/A VAL 106.A N LEU 102.A O no hydrogen 2.848 N/A ASP 107.A N PRO 103.A O no hydrogen 3.151 N/A MET 108.A N GLN 104.A O no hydrogen 3.068 N/A ALA 109.A N LEU 105.A O no hydrogen 3.029 N/A ALA 110.A N VAL 106.A O no hydrogen 2.831 N/A GLN 111.A N ASP 107.A O no hydrogen 3.117 N/A GLN 111.A NE2 ASP 107.A O no hydrogen 3.591 N/A GLN 111.A NE2 ASP 107.A OD1 no hydrogen 3.380 N/A GLN 111.A NE2 LEU 140.A O no hydrogen 2.956 N/A ILE 112.A N MET 108.A O no hydrogen 3.079 N/A ALA 113.A N ALA 109.A O no hydrogen 2.856 N/A SER 114.A N ALA 110.A O no hydrogen 3.051 N/A GLY 115.A N GLN 111.A O no hydrogen 3.073 N/A MET 116.A N ILE 112.A O no hydrogen 2.897 N/A ALA 117.A N ALA 113.A O no hydrogen 2.725 N/A TYR 118.A N SER 114.A O no hydrogen 3.152 N/A TYR 118.A N GLY 115.A O no hydrogen 3.205 N/A VAL 119.A N GLY 115.A O no hydrogen 3.131 N/A GLU 120.A N MET 116.A O no hydrogen 2.828 N/A ARG 121.A N ALA 117.A O no hydrogen 2.985 N/A MET 122.A N TYR 118.A O no hydrogen 2.897 N/A MET 122.A N VAL 119.A O no hydrogen 3.218 N/A ASN 123.A N GLU 120.A O no hydrogen 3.152 N/A TYR 124.A N VAL 119.A O no hydrogen 3.215 N/A VAL 125.A N ARG 151.A O no hydrogen 2.880 N/A HIS 126.A N ASP 185.A OD2 no hydrogen 2.621 N/A HIS 126.A NE2 ALA 145.A O no hydrogen 2.819 N/A ARG 127.A N ASP 185.A OD1 no hydrogen 2.989 N/A ARG 127.A NE LEU 149.A O no hydrogen 2.770 N/A ARG 127.A NH2 LEU 149.A O no hydrogen 3.077 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.090 N/A ALA 131.A N GLU 195.A OE1 no hydrogen 2.919 N/A ASN 133.A N ARG 130.A O no hydrogen 2.940 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.863 N/A ILE 134.A N ALA 131.A O no hydrogen 3.283 N/A LEU 135.A N LYS 143.A O no hydrogen 2.910 N/A VAL 136.A N GLY 86.A O no hydrogen 2.816 N/A GLY 137.A N VAL 141.A O no hydrogen 2.819 N/A VAL 141.A N GLU 138.A O no hydrogen 3.212 N/A CYS 142.A N GLN 111.A OE1 no hydrogen 2.941 N/A CYS 142.A SG LEU 140.A O no hydrogen 3.765 N/A LYS 143.A N LEU 135.A O no hydrogen 2.891 N/A LYS 143.A NZ GLU 63.A O no hydrogen 3.284 N/A LYS 143.A NZ GLU 81.A OE1 no hydrogen 3.538 N/A LYS 143.A NZ GLU 81.A OE2 no hydrogen 2.944 N/A VAL 144.A N LYS 64.A O no hydrogen 2.832 N/A ALA 145.A N ASN 133.A O no hydrogen 2.993 N/A ALA 150.A N PHE 147.A O no hydrogen 3.121 N/A ARG 151.A N VAL 125.A O no hydrogen 2.993 N/A ARG 151.A NH1 LEU 152.A O no hydrogen 3.249 N/A ILE 153.A N ASN 123.A O no hydrogen 3.147 N/A GLU 157.A N ASP 155.A OD2 no hydrogen 3.178 N/A GLN 161.A NE2 ALA 159.A O no hydrogen 3.384 N/A LYS 168.A NZ MET 207.A O no hydrogen 3.154 N/A TRP 169.A N PRO 166.A O no hydrogen 3.073 N/A TRP 169.A NE1 GLU 195.A OE1 no hydrogen 3.031 N/A THR 170.A N PRO 166.A O no hydrogen 2.929 N/A THR 170.A OG1 PRO 166.A O no hydrogen 2.791 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.866 N/A ALA 174.A N ALA 171.A O no hydrogen 2.885 N/A ALA 175.A N ALA 171.A O no hydrogen 2.907 N/A LEU 176.A N PRO 172.A O no hydrogen 2.812 N/A TYR 177.A N GLU 173.A O no hydrogen 3.002 N/A GLY 178.A N ALA 174.A O no hydrogen 2.896 N/A ARG 179.A N GLU 173.A O no hydrogen 3.253 N/A PHE 180.A N GLY 178.A O no hydrogen 3.200 N/A THR 181.A N SER 184.A OG no hydrogen 2.873 N/A LYS 183.A NZ ARG 247.A O no hydrogen 2.801 N/A LYS 183.A NZ PRO 248.A O no hydrogen 3.244 N/A SER 184.A N THR 181.A O no hydrogen 2.977 N/A SER 184.A N THR 181.A OG1 no hydrogen 3.326 N/A SER 184.A OG THR 181.A O no hydrogen 2.583 N/A ASP 185.A N THR 181.A O no hydrogen 3.396 N/A VAL 186.A N ILE 182.A O no hydrogen 2.980 N/A TRP 187.A N LYS 183.A O no hydrogen 3.209 N/A SER 188.A N SER 184.A O no hydrogen 3.292 N/A SER 188.A OG TRP 169.A O no hydrogen 2.624 N/A SER 188.A OG SER 184.A O no hydrogen 3.441 N/A PHE 189.A N ASP 185.A O no hydrogen 2.941 N/A GLY 190.A N VAL 186.A O no hydrogen 3.093 N/A ILE 191.A N TRP 187.A O no hydrogen 3.236 N/A LEU 192.A N SER 188.A O no hydrogen 2.894 N/A LEU 193.A N PHE 189.A O no hydrogen 2.900 N/A THR 194.A N GLY 190.A O no hydrogen 3.331 N/A THR 194.A N ILE 191.A O no hydrogen 2.983 N/A THR 194.A OG1 ILE 191.A O no hydrogen 2.581 N/A GLU 195.A N ILE 191.A O no hydrogen 3.119 N/A LEU 196.A N LEU 192.A O no hydrogen 2.948 N/A THR 197.A N LEU 193.A O no hydrogen 3.061 N/A THR 197.A OG1 LEU 193.A O no hydrogen 2.934 N/A THR 197.A OG1 THR 194.A O no hydrogen 3.282 N/A THR 198.A N THR 194.A O no hydrogen 2.990 N/A THR 198.A OG1 THR 194.A O no hydrogen 2.921 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.487 N/A LYS 199.A NZ LEU 92.A O no hydrogen 2.722 N/A LYS 199.A NZ LYS 93.A O no hydrogen 3.323 N/A LYS 199.A NZ GLY 94.A O no hydrogen 3.273 N/A GLY 200.A N GLU 195.A O no hydrogen 2.683 N/A ARG 201.A N THR 198.A OG1 no hydrogen 3.022 N/A MET 207.A N TYR 204.A O no hydrogen 3.018 N/A VAL 212.A N VAL 208.A O no hydrogen 3.003 N/A LEU 213.A N ASN 209.A O no hydrogen 3.007 N/A ASP 214.A N ARG 210.A O no hydrogen 3.148 N/A GLN 215.A N GLU 211.A O no hydrogen 2.956 N/A VAL 216.A N VAL 212.A O no hydrogen 2.822 N/A GLU 217.A N LEU 213.A O no hydrogen 3.027 N/A ARG 218.A N ASP 214.A O no hydrogen 3.061 N/A ARG 218.A N GLN 215.A O no hydrogen 2.944 N/A GLY 219.A N VAL 216.A O no hydrogen 3.100 N/A TYR 220.A N GLN 215.A O no hydrogen 2.859 N/A ARG 221.A NE TRP 240.A O no hydrogen 2.960 N/A ARG 221.A NH1 VAL 216.A O no hydrogen 2.936 N/A ARG 221.A NH1 TYR 220.A O no hydrogen 2.831 N/A ARG 221.A NH2 TRP 240.A O no hydrogen 2.979 N/A CYS 224.A SG PRO 225.A O no hydrogen 3.617 N/A CYS 224.A SG CYS 228.A O no hydrogen 2.916 N/A CYS 228.A N PRO 225.A O no hydrogen 3.075 N/A CYS 228.A SG PRO 229.A O no hydrogen 3.629 N/A SER 231.A OG TYR 260.A OH no hydrogen 2.724 N/A SER 231.A OG GLU 265.A OE2 no hydrogen 2.714 N/A LEU 232.A N PRO 229.A O no hydrogen 2.988 N/A HIS 233.A N PRO 229.A O no hydrogen 3.232 N/A HIS 233.A NE2 MET 222.A O no hydrogen 2.824 N/A ASP 234.A N GLU 230.A O no hydrogen 2.758 N/A LEU 235.A N SER 231.A O no hydrogen 3.270 N/A MET 236.A N LEU 232.A O no hydrogen 3.096 N/A CYS 237.A N HIS 233.A O no hydrogen 2.973 N/A CYS 237.A SG HIS 233.A O no hydrogen 3.442 N/A GLN 238.A N ASP 234.A O no hydrogen 3.061 N/A GLN 238.A NE2 ASP 234.A O no hydrogen 3.414 N/A CYS 239.A N LEU 235.A O no hydrogen 3.086 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.466 N/A TRP 240.A N MET 236.A O no hydrogen 3.075 N/A TRP 240.A N CYS 237.A O no hydrogen 3.082 N/A ARG 241.A N GLN 238.A O no hydrogen 3.341 N/A GLU 246.A N GLU 243.A O no hydrogen 3.014 N/A ARG 247.A N PRO 244.A O no hydrogen 3.156 N/A ARG 247.A NE LYS 183.A O no hydrogen 3.372 N/A ARG 247.A NH1 GLU 173.A OE1 no hydrogen 3.479 N/A ARG 247.A NH1 ARG 241.A O no hydrogen 2.774 N/A ARG 247.A NH2 GLU 173.A OE2 no hydrogen 2.674 N/A ARG 247.A NH2 LYS 183.A O no hydrogen 2.901 N/A PHE 250.A N GLU 120.A OE2 no hydrogen 2.893 N/A GLU 251.A N GLU 120.A OE1 no hydrogen 3.343 N/A TYR 252.A N THR 249.A OG1 no hydrogen 2.964 N/A LEU 253.A N THR 249.A O no hydrogen 2.993 N/A GLN 254.A N PHE 250.A O no hydrogen 2.857 N/A GLN 254.A NE2 GLU 258.A OE2 no hydrogen 2.993 N/A ALA 255.A N GLU 251.A O no hydrogen 3.220 N/A PHE 256.A N TYR 252.A O no hydrogen 2.850 N/A LEU 257.A N LEU 253.A O no hydrogen 2.925 N/A GLU 258.A N GLN 254.A O no hydrogen 2.909 N/A ASP 259.A N ALA 255.A O no hydrogen 3.155 N/A TYR 260.A N LEU 257.A O no hydrogen 3.399 N/A TYR 260.A OH SER 231.A OG no hydrogen 2.724 N/A THR 262.A N ASP 259.A O no hydrogen 3.049 N/A SER 263.A N ASP 259.A O no hydrogen 2.892 N/A THR 264.A N TYR 260.A O no hydrogen 2.979 N/A GLU 265.A N TYR 260.A O no hydrogen 2.875 N/A TYR 268.A N GLU 265.A O no hydrogen 3.213 N/A TYR 268.A OH LEU 274.A OXT no hydrogen 2.685 N/A GLY 271.A N LEU 274.A O no hydrogen 2.806 N/A GLU 272.A N GLU 227.A OE2 no hydrogen 2.955 N/A ASN 273.A N GLU 227.A OE1 no hydrogen 2.726 N/A LEU 274.A N GLU 227.A OE1 no hydrogen 3.154 N/A