Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3puy_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 12.A N ALA 8.A O no hydrogen 2.771 N/A THR 13.A N ARG 9.A O no hydrogen 3.211 N/A THR 13.A OG1 ARG 9.A O no hydrogen 2.705 N/A HIS 14.A N LEU 10.A O no hydrogen 2.761 N/A LEU 15.A N PHE 11.A O no hydrogen 3.134 N/A LEU 16.A N ILE 12.A O no hydrogen 2.973 N/A LEU 17.A N THR 13.A O no hydrogen 2.717 N/A LEU 18.A N HIS 14.A O no hydrogen 3.131 N/A LEU 19.A N LEU 15.A O no hydrogen 3.072 N/A ILE 21.A N LEU 17.A O no hydrogen 2.737 N/A ALA 22.A N LEU 18.A O no hydrogen 3.078 N/A ALA 23.A N LEU 19.A O no hydrogen 3.199 N/A ILE 24.A N PHE 20.A O no hydrogen 3.026 N/A MET 25.A N ILE 21.A O no hydrogen 2.685 N/A PHE 26.A N ALA 22.A O no hydrogen 3.069 N/A LEU 29.A N MET 25.A O no hydrogen 2.798 N/A MET 30.A N PHE 26.A O no hydrogen 3.163 N/A VAL 31.A N LEU 28.A O no hydrogen 2.861 N/A VAL 32.A N LEU 28.A O no hydrogen 3.155 N/A ALA 33.A N LEU 29.A O no hydrogen 3.103 N/A ILE 34.A N MET 30.A O no hydrogen 3.175 N/A SER 35.A N VAL 31.A O no hydrogen 3.053 N/A SER 35.A OG VAL 31.A O no hydrogen 3.481 N/A SER 35.A OG VAL 32.A O no hydrogen 2.666 N/A LEU 36.A N ALA 33.A O no hydrogen 3.091 N/A ARG 37.A N ILE 34.A O no hydrogen 3.339 N/A ARG 37.A NH1 PHE 41.A O no hydrogen 2.769 N/A ARG 37.A NH2 SER 45.A O no hydrogen 3.476 N/A GLN 38.A N GLN 50.A O no hydrogen 2.993 N/A SER 45.A OG ILE 47.A O no hydrogen 3.147 N/A SER 52.A N LEU 36.A O no hydrogen 2.629 N/A ASP 54.A N SER 52.A OG no hydrogen 3.212 N/A HIS 55.A NE2 GLY 39.A O no hydrogen 2.800 N/A LYS 57.A N TRP 53.A O no hydrogen 3.018 N/A LEU 58.A N ASP 54.A O no hydrogen 3.126 N/A ALA 59.A N HIS 55.A O no hydrogen 3.228 N/A LEU 60.A N TRP 56.A O no hydrogen 3.158 N/A VAL 64.A N THR 72.A O no hydrogen 2.923 N/A GLN 66.A N ARG 70.A O no hydrogen 3.307 N/A ARG 70.A NH1 ASP 68.A OD1 no hydrogen 3.543 N/A THR 72.A N VAL 64.A O no hydrogen 2.662 N/A TRP 81.A N PRO 77.A O no hydrogen 3.142 N/A TRP 81.A NE1 VAL 237.A O no hydrogen 3.159 N/A LEU 82.A N VAL 78.A O no hydrogen 3.145 N/A TRP 83.A N LEU 79.A O no hydrogen 2.941 N/A ASN 84.A N LEU 80.A O no hydrogen 2.756 N/A ASN 84.A ND2 ASN 238.A O no hydrogen 3.120 N/A ASN 84.A ND2 TYR 240.A O no hydrogen 2.954 N/A SER 85.A N TRP 81.A O no hydrogen 2.680 N/A VAL 86.A N LEU 82.A O no hydrogen 3.038 N/A LYS 87.A N TRP 83.A O no hydrogen 3.105 N/A VAL 88.A N ASN 84.A O no hydrogen 2.995 N/A ALA 89.A N SER 85.A O no hydrogen 2.949 N/A GLY 90.A N VAL 86.A O no hydrogen 2.704 N/A ILE 91.A N LYS 87.A O no hydrogen 3.196 N/A SER 92.A N VAL 88.A O no hydrogen 3.168 N/A ALA 93.A N ALA 89.A O no hydrogen 2.703 N/A ILE 94.A N GLY 90.A O no hydrogen 2.937 N/A GLY 95.A N ILE 91.A O no hydrogen 2.925 N/A ILE 96.A N SER 92.A O no hydrogen 2.733 N/A VAL 97.A N ALA 93.A O no hydrogen 2.856 N/A ALA 98.A N ILE 94.A O no hydrogen 3.022 N/A LEU 99.A N GLY 95.A O no hydrogen 3.124 N/A SER 100.A N ILE 96.A O no hydrogen 2.955 N/A SER 100.A OG ILE 96.A O no hydrogen 2.464 N/A SER 100.A OG VAL 97.A O no hydrogen 3.381 N/A THR 101.A N VAL 97.A O no hydrogen 2.944 N/A THR 101.A OG1 VAL 97.A O no hydrogen 2.749 N/A THR 102.A N ALA 98.A O no hydrogen 3.447 N/A THR 102.A OG1 ALA 98.A O no hydrogen 3.338 N/A THR 102.A OG1 LEU 99.A O no hydrogen 3.047 N/A CYS 103.A N LEU 99.A O no hydrogen 3.008 N/A ALA 104.A N SER 100.A O no hydrogen 2.794 N/A TYR 105.A N THR 101.A O no hydrogen 3.028 N/A PHE 107.A N CYS 103.A O no hydrogen 3.435 N/A ALA 108.A N ALA 104.A O no hydrogen 3.053 N/A ALA 108.A N TYR 105.A O no hydrogen 3.362 N/A ARG 109.A N TYR 105.A O no hydrogen 2.906 N/A ARG 109.A NE GLU 186.A OE1 no hydrogen 3.322 N/A ARG 109.A NE GLU 186.A OE2 no hydrogen 2.851 N/A ARG 109.A NH1 ALA 108.A O no hydrogen 3.222 N/A ARG 109.A NH2 PHE 178.A O no hydrogen 2.627 N/A ARG 109.A NH2 GLU 186.A OE2 no hydrogen 3.533 N/A MET 110.A N ALA 106.A O no hydrogen 3.131 N/A LYS 115.A NZ PHE 107.A O no hydrogen 3.187 N/A LYS 115.A NZ MET 110.A O no hydrogen 2.958 N/A LEU 119.A N LYS 115.A O no hydrogen 3.077 N/A LYS 120.A N ALA 116.A O no hydrogen 3.073 N/A GLY 121.A N THR 117.A O no hydrogen 2.807 N/A MET 122.A N LEU 118.A O no hydrogen 2.689 N/A LEU 123.A N LEU 119.A O no hydrogen 3.294 N/A ILE 124.A N LYS 120.A O no hydrogen 3.160 N/A PHE 125.A N GLY 121.A O no hydrogen 2.871 N/A GLN 126.A N MET 122.A O no hydrogen 3.286 N/A MET 127.A N ILE 124.A O no hydrogen 3.047 N/A VAL 131.A N PRO 129.A O no hydrogen 2.971 N/A ALA 136.A N SER 133.A O no hydrogen 2.981 N/A LEU 137.A N SER 133.A O no hydrogen 2.823 N/A TYR 138.A N LEU 134.A O no hydrogen 3.334 N/A LEU 140.A N ALA 136.A O no hydrogen 3.217 N/A PHE 141.A N LEU 137.A O no hydrogen 3.090 N/A ASP 142.A N TYR 138.A O no hydrogen 2.897 N/A ARG 143.A N ALA 139.A O no hydrogen 3.271 N/A LEU 144.A N LEU 140.A O no hydrogen 2.740 N/A GLY 145.A N PHE 141.A O no hydrogen 3.069 N/A GLU 146.A N ARG 143.A O no hydrogen 2.975 N/A TYR 147.A N LEU 144.A O no hydrogen 2.994 N/A ILE 148.A N LEU 144.A O no hydrogen 2.929 N/A GLY 152.A N PRO 149.A O no hydrogen 3.307 N/A ASN 154.A N LEU 233.A O no hydrogen 2.808 N/A ASN 154.A ND2 ASP 236.A OD1 no hydrogen 2.769 N/A THR 155.A OG1 PHE 150.A O no hydrogen 3.278 N/A THR 155.A OG1 GLY 152.A O no hydrogen 2.753 N/A HIS 156.A NE2 SER 239.A O no hydrogen 2.559 N/A GLY 158.A N THR 155.A OG1 no hydrogen 3.071 N/A VAL 159.A N THR 155.A O no hydrogen 3.454 N/A ILE 160.A N HIS 156.A O no hydrogen 3.085 N/A PHE 161.A N GLY 157.A O no hydrogen 3.001 N/A ALA 162.A N GLY 158.A O no hydrogen 2.983 N/A TYR 163.A N VAL 159.A O no hydrogen 3.193 N/A LEU 164.A N ILE 160.A O no hydrogen 3.322 N/A LEU 164.A N PHE 161.A O no hydrogen 3.345 N/A GLY 166.A N TYR 163.A O no hydrogen 3.297 N/A VAL 171.A N ILE 167.A O no hydrogen 2.778 N/A TRP 172.A N ALA 168.A O no hydrogen 3.214 N/A THR 173.A N LEU 169.A O no hydrogen 2.834 N/A THR 173.A OG1 LEU 169.A O no hydrogen 3.221 N/A ILE 174.A N HIS 170.A O no hydrogen 2.851 N/A LYS 175.A N VAL 171.A O no hydrogen 2.828 N/A GLY 176.A N TRP 172.A O no hydrogen 3.138 N/A TYR 177.A N THR 173.A O no hydrogen 3.266 N/A TYR 177.A OH LEU 207.A O no hydrogen 3.181 N/A PHE 178.A N ILE 174.A O no hydrogen 3.050 N/A GLU 179.A N GLY 176.A O no hydrogen 2.940 N/A THR 180.A N TYR 177.A O no hydrogen 3.096 N/A THR 180.A OG1 TYR 177.A O no hydrogen 2.837 N/A ILE 181.A N PHE 178.A O no hydrogen 3.082 N/A SER 184.A N ASP 182.A OD1 no hydrogen 3.071 N/A SER 184.A OG ASP 182.A OD1 no hydrogen 2.768 N/A LEU 185.A N ASP 182.A O no hydrogen 3.440 N/A GLU 186.A N SER 183.A O no hydrogen 2.815 N/A GLU 187.A N SER 183.A O no hydrogen 3.157 N/A ALA 188.A N SER 184.A O no hydrogen 3.023 N/A ALA 189.A N LEU 185.A O no hydrogen 3.298 N/A ALA 190.A N GLU 186.A O no hydrogen 2.886 N/A LEU 191.A N GLU 187.A O no hydrogen 2.849 N/A ASP 192.A N ALA 188.A O no hydrogen 3.069 N/A GLY 193.A N ALA 190.A O no hydrogen 2.779 N/A ALA 194.A N ALA 189.A O no hydrogen 3.319 N/A THR 195.A N GLN 198.A OE1 no hydrogen 3.028 N/A THR 195.A OG1 GLN 198.A OE1 no hydrogen 3.504 N/A GLN 198.A N THR 195.A OG1 no hydrogen 3.273 N/A ALA 199.A N THR 195.A O no hydrogen 2.928 N/A PHE 200.A N PRO 196.A O no hydrogen 2.978 N/A ARG 201.A N TRP 197.A O no hydrogen 2.875 N/A ARG 201.A N GLN 198.A O no hydrogen 3.217 N/A LEU 202.A N GLN 198.A O no hydrogen 2.750 N/A VAL 203.A N ALA 199.A O no hydrogen 3.333 N/A LEU 204.A N ALA 199.A O no hydrogen 3.016 N/A LEU 205.A N PHE 200.A O no hydrogen 3.021 N/A LEU 207.A N LEU 204.A O no hydrogen 3.128 N/A SER 208.A N LEU 205.A O no hydrogen 2.676 N/A SER 208.A OG LEU 204.A O no hydrogen 2.797 N/A LEU 212.A N SER 208.A O no hydrogen 3.221 N/A ALA 213.A N VAL 209.A O no hydrogen 3.023 N/A VAL 214.A N PRO 210.A O no hydrogen 3.037 N/A VAL 215.A N ILE 211.A O no hydrogen 2.848 N/A PHE 216.A N LEU 212.A O no hydrogen 2.894 N/A ILE 217.A N ALA 213.A O no hydrogen 2.838 N/A LEU 218.A N VAL 214.A O no hydrogen 2.839 N/A SER 219.A N VAL 215.A O no hydrogen 2.932 N/A SER 219.A OG VAL 215.A O no hydrogen 2.624 N/A PHE 220.A N PHE 216.A O no hydrogen 2.948 N/A ILE 221.A N ILE 217.A O no hydrogen 3.078 N/A ALA 222.A N LEU 218.A O no hydrogen 3.251 N/A ALA 223.A N SER 219.A O no hydrogen 2.906 N/A ILE 224.A N PHE 220.A O no hydrogen 2.859 N/A THR 225.A N ILE 221.A O no hydrogen 3.242 N/A THR 225.A OG1 ILE 221.A O no hydrogen 2.952 N/A THR 225.A OG1 ALA 222.A O no hydrogen 3.182 N/A ALA 230.A N GLU 226.A OE2 no hydrogen 3.032 N/A SER 231.A N VAL 227.A O no hydrogen 2.843 N/A LEU 232.A N PRO 228.A O no hydrogen 2.971 N/A LEU 233.A N VAL 229.A O no hydrogen 2.892 N/A LEU 234.A N ALA 230.A O no hydrogen 3.035 N/A ARG 235.A N ASN 154.A OD1 no hydrogen 3.149 N/A ASP 236.A N ASN 154.A OD1 no hydrogen 3.042 N/A SER 239.A N ASP 236.A O no hydrogen 2.986 N/A SER 239.A OG ASN 154.A OD1 no hydrogen 3.469 N/A SER 239.A OG ASP 236.A O no hydrogen 2.714 N/A TYR 240.A N VAL 237.A O no hydrogen 3.176 N/A LEU 242.A N SER 85.A OG no hydrogen 2.857 N/A GLY 245.A N THR 241.A O no hydrogen 2.834 N/A MET 246.A N LEU 242.A O no hydrogen 3.304 N/A GLN 247.A N VAL 244.A O no hydrogen 3.331 N/A GLN 248.A N GLY 245.A O no hydrogen 3.052 N/A TYR 249.A N MET 246.A O no hydrogen 3.368 N/A LEU 250.A N GLN 247.A O no hydrogen 3.157 N/A ASN 251.A N ASN 254.A O no hydrogen 3.102 N/A ASN 251.A ND2 ASN 254.A O no hydrogen 3.581 N/A LEU 256.A N TYR 249.A O no hydrogen 2.767 N/A GLY 258.A N ASN 40.A OD1 no hydrogen 2.808 N/A PHE 260.A N LEU 256.A O no hydrogen 3.059 N/A ALA 261.A N TRP 257.A O no hydrogen 2.770 N/A ALA 262.A N GLY 258.A O no hydrogen 3.062 N/A ALA 263.A N ASP 259.A O no hydrogen 3.159 N/A ALA 264.A N PHE 260.A O no hydrogen 2.817 N/A VAL 265.A N ALA 261.A O no hydrogen 2.928 N/A MET 266.A N ALA 262.A O no hydrogen 3.213 N/A SER 267.A N ALA 263.A O no hydrogen 3.263 N/A SER 267.A OG ALA 263.A O no hydrogen 3.159 N/A SER 267.A OG ALA 264.A O no hydrogen 2.722 N/A ALA 268.A N VAL 265.A O no hydrogen 3.038 N/A LEU 269.A N MET 266.A O no hydrogen 2.891 N/A THR 272.A N ALA 268.A O no hydrogen 2.986 N/A THR 272.A OG1 ALA 268.A O no hydrogen 2.814 N/A ILE 273.A N LEU 269.A O no hydrogen 3.028 N/A VAL 274.A N PRO 270.A O no hydrogen 3.000 N/A PHE 275.A N ILE 271.A O no hydrogen 2.797 N/A LEU 276.A N THR 272.A O no hydrogen 2.989 N/A LEU 277.A N ILE 273.A O no hydrogen 2.868 N/A ALA 278.A N VAL 274.A O no hydrogen 2.949 N/A GLN 279.A N LEU 276.A O no hydrogen 3.368 N/A GLN 279.A NE2 PHE 275.A O no hydrogen 3.444 N/A ARG 280.A N LEU 277.A O no hydrogen 3.447 N/A TRP 281.A N ALA 278.A O no hydrogen 3.057 N/A LEU 282.A N GLN 279.A O no hydrogen 2.796 N/A GLY 290.A N THR 287.A O no hydrogen 2.943 N/A