Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3puw_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 7.A N ALA 3.A O no hydrogen 2.907 N/A THR 8.A N ARG 4.A O no hydrogen 3.004 N/A THR 8.A OG1 ARG 4.A O no hydrogen 2.513 N/A HIS 9.A N LEU 5.A O no hydrogen 2.702 N/A LEU 10.A N PHE 6.A O no hydrogen 2.956 N/A LEU 11.A N ILE 7.A O no hydrogen 3.109 N/A LEU 12.A N THR 8.A O no hydrogen 2.844 N/A LEU 13.A N HIS 9.A O no hydrogen 2.976 N/A LEU 14.A N LEU 10.A O no hydrogen 3.034 N/A PHE 15.A N LEU 11.A O no hydrogen 2.889 N/A ILE 16.A N LEU 12.A O no hydrogen 2.694 N/A ALA 17.A N LEU 13.A O no hydrogen 3.083 N/A ALA 18.A N LEU 14.A O no hydrogen 3.341 N/A ILE 19.A N PHE 15.A O no hydrogen 3.033 N/A MET 20.A N ILE 16.A O no hydrogen 2.761 N/A PHE 21.A N ALA 17.A O no hydrogen 3.006 N/A LEU 24.A N MET 20.A O no hydrogen 2.907 N/A MET 25.A N PHE 21.A O no hydrogen 3.092 N/A VAL 26.A N PRO 22.A O no hydrogen 3.240 N/A VAL 27.A N LEU 23.A O no hydrogen 3.027 N/A ALA 28.A N LEU 24.A O no hydrogen 2.815 N/A ILE 29.A N MET 25.A O no hydrogen 3.139 N/A SER 30.A N VAL 26.A O no hydrogen 3.209 N/A SER 30.A OG VAL 27.A O no hydrogen 2.492 N/A LEU 31.A N ALA 28.A O no hydrogen 3.162 N/A ARG 32.A N ILE 29.A O no hydrogen 3.236 N/A ARG 32.A NH1 PHE 36.A O no hydrogen 3.214 N/A ARG 32.A NH2 SER 40.A O no hydrogen 2.876 N/A GLN 33.A N GLN 45.A O no hydrogen 3.071 N/A SER 40.A OG ILE 42.A O no hydrogen 2.682 N/A SER 47.A N LEU 31.A O no hydrogen 2.732 N/A ASP 49.A N SER 47.A OG no hydrogen 3.239 N/A HIS 50.A ND1 ASP 254.A OD1 no hydrogen 3.030 N/A HIS 50.A NE2 ARG 32.A O no hydrogen 2.880 N/A HIS 50.A NE2 GLY 34.A O no hydrogen 2.798 N/A TRP 51.A NE1 SER 30.A OG no hydrogen 3.029 N/A LYS 52.A N TRP 48.A O no hydrogen 2.838 N/A LEU 53.A N ASP 49.A O no hydrogen 3.025 N/A ALA 54.A N HIS 50.A O no hydrogen 3.233 N/A LEU 55.A N TRP 51.A O no hydrogen 3.054 N/A LEU 55.A N LYS 52.A O no hydrogen 3.214 N/A PHE 57.A N LYS 52.A O no hydrogen 2.729 N/A VAL 59.A N THR 67.A O no hydrogen 2.828 N/A GLN 61.A N ARG 65.A O no hydrogen 3.359 N/A GLY 64.A N GLN 61.A O no hydrogen 3.336 N/A THR 67.A N VAL 59.A O no hydrogen 2.790 N/A THR 67.A OG1 GLN 61.A OE1 no hydrogen 2.777 N/A TRP 76.A N PRO 72.A O no hydrogen 3.035 N/A TRP 76.A NE1 VAL 232.A O no hydrogen 2.967 N/A LEU 77.A N VAL 73.A O no hydrogen 2.972 N/A TRP 78.A N LEU 74.A O no hydrogen 2.945 N/A ASN 79.A N LEU 75.A O no hydrogen 2.812 N/A ASN 79.A ND2 ASN 233.A O no hydrogen 2.984 N/A ASN 79.A ND2 TYR 235.A O no hydrogen 2.892 N/A SER 80.A N TRP 76.A O no hydrogen 2.903 N/A SER 80.A OG TRP 76.A O no hydrogen 3.349 N/A VAL 81.A N LEU 77.A O no hydrogen 3.011 N/A LYS 82.A N TRP 78.A O no hydrogen 3.007 N/A LYS 82.A NZ HIS 151.A ND1 no hydrogen 3.340 N/A VAL 83.A N ASN 79.A O no hydrogen 2.991 N/A ALA 84.A N SER 80.A O no hydrogen 2.806 N/A GLY 85.A N VAL 81.A O no hydrogen 2.705 N/A ILE 86.A N LYS 82.A O no hydrogen 3.173 N/A SER 87.A N VAL 83.A O no hydrogen 3.171 N/A ALA 88.A N ALA 84.A O no hydrogen 2.808 N/A ILE 89.A N GLY 85.A O no hydrogen 2.986 N/A GLY 90.A N ILE 86.A O no hydrogen 2.862 N/A ILE 91.A N SER 87.A O no hydrogen 2.829 N/A VAL 92.A N ALA 88.A O no hydrogen 2.861 N/A ALA 93.A N ILE 89.A O no hydrogen 2.969 N/A LEU 94.A N GLY 90.A O no hydrogen 2.991 N/A SER 95.A N ILE 91.A O no hydrogen 3.106 N/A SER 95.A OG ILE 91.A O no hydrogen 2.491 N/A SER 95.A OG VAL 92.A O no hydrogen 3.404 N/A THR 96.A N VAL 92.A O no hydrogen 3.002 N/A THR 96.A OG1 VAL 92.A O no hydrogen 3.315 N/A THR 97.A OG1 ALA 93.A O no hydrogen 2.902 N/A THR 97.A OG1 LEU 94.A O no hydrogen 3.160 N/A CYS 98.A N LEU 94.A O no hydrogen 3.273 N/A ALA 99.A N SER 95.A O no hydrogen 2.876 N/A TYR 100.A N THR 96.A O no hydrogen 2.914 N/A TYR 100.A OH PRO 191.A O no hydrogen 2.674 N/A PHE 102.A N CYS 98.A O no hydrogen 3.224 N/A ALA 103.A N ALA 99.A O no hydrogen 2.709 N/A ARG 104.A N TYR 100.A O no hydrogen 2.840 N/A ARG 104.A NE GLU 181.A OE1 no hydrogen 2.860 N/A ARG 104.A NE GLU 181.A OE2 no hydrogen 2.926 N/A ARG 104.A NH1 PHE 173.A O no hydrogen 3.421 N/A ARG 104.A NH2 PHE 173.A O no hydrogen 2.843 N/A ARG 104.A NH2 GLU 181.A OE2 no hydrogen 2.942 N/A MET 105.A N ALA 101.A O no hydrogen 3.030 N/A LYS 110.A NZ PHE 102.A O no hydrogen 3.234 N/A LYS 110.A NZ MET 105.A O no hydrogen 2.907 N/A LEU 113.A N GLY 109.A O no hydrogen 3.409 N/A LEU 114.A N LYS 110.A O no hydrogen 3.090 N/A LYS 115.A N ALA 111.A O no hydrogen 3.304 N/A GLY 116.A N THR 112.A O no hydrogen 2.790 N/A MET 117.A N LEU 113.A O no hydrogen 2.859 N/A LEU 118.A N LEU 114.A O no hydrogen 3.127 N/A PHE 120.A N GLY 116.A O no hydrogen 2.863 N/A MET 122.A N ILE 119.A O no hydrogen 2.919 N/A PHE 123.A N PHE 120.A O no hydrogen 3.471 N/A LEU 132.A N SER 128.A O no hydrogen 2.753 N/A TYR 133.A N LEU 129.A O no hydrogen 3.041 N/A ALA 134.A N VAL 130.A O no hydrogen 3.420 N/A LEU 135.A N ALA 131.A O no hydrogen 3.026 N/A PHE 136.A N LEU 132.A O no hydrogen 2.997 N/A ASP 137.A N TYR 133.A O no hydrogen 2.847 N/A ARG 138.A N ALA 134.A O no hydrogen 3.274 N/A LEU 139.A N LEU 135.A O no hydrogen 2.935 N/A GLY 140.A N PHE 136.A O no hydrogen 3.070 N/A TYR 142.A N LEU 139.A O no hydrogen 3.075 N/A ILE 143.A N LEU 139.A O no hydrogen 2.978 N/A ILE 146.A N ILE 143.A O no hydrogen 3.277 N/A GLY 147.A N PRO 144.A O no hydrogen 3.154 N/A ASN 149.A N LEU 228.A O no hydrogen 2.610 N/A THR 150.A OG1 PHE 145.A O no hydrogen 3.403 N/A THR 150.A OG1 GLY 147.A O no hydrogen 2.628 N/A HIS 151.A NE2 SER 234.A O no hydrogen 2.847 N/A GLY 153.A N THR 150.A OG1 no hydrogen 2.925 N/A VAL 154.A N THR 150.A O no hydrogen 3.336 N/A ILE 155.A N HIS 151.A O no hydrogen 2.834 N/A PHE 156.A N GLY 152.A O no hydrogen 2.792 N/A ALA 157.A N GLY 153.A O no hydrogen 2.882 N/A TYR 158.A N VAL 154.A O no hydrogen 3.347 N/A TYR 158.A N ILE 155.A O no hydrogen 3.077 N/A TYR 158.A OH GLU 221.A OE1.B no hydrogen 2.598 N/A LEU 159.A N PHE 156.A O no hydrogen 3.165 N/A GLY 161.A N TYR 158.A O no hydrogen 3.037 N/A ILE 162.A N GLY 160.A O no hydrogen 2.948 N/A ALA 163.A N GLN 121.A OE1 no hydrogen 3.084 N/A VAL 166.A N ILE 162.A O no hydrogen 2.785 N/A TRP 167.A N ALA 163.A O no hydrogen 3.254 N/A TRP 167.A NE1 LEU 114.A O no hydrogen 3.226 N/A THR 168.A N LEU 164.A O no hydrogen 2.940 N/A THR 168.A OG1 LEU 164.A O no hydrogen 2.871 N/A ILE 169.A N HIS 165.A O no hydrogen 2.987 N/A LYS 170.A N VAL 166.A O no hydrogen 2.747 N/A GLY 171.A N TRP 167.A O no hydrogen 2.815 N/A TYR 172.A N THR 168.A O no hydrogen 3.147 N/A PHE 173.A N ILE 169.A O no hydrogen 2.862 N/A GLU 174.A N LYS 170.A O no hydrogen 3.207 N/A GLU 174.A N GLY 171.A O no hydrogen 3.308 N/A THR 175.A N TYR 172.A O no hydrogen 3.020 N/A THR 175.A OG1 TYR 172.A O no hydrogen 2.725 N/A ILE 176.A N PHE 173.A O no hydrogen 3.243 N/A SER 179.A N ASP 177.A OD1 no hydrogen 3.221 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.813 N/A LEU 180.A N ASP 177.A O no hydrogen 3.375 N/A GLU 182.A N SER 178.A O no hydrogen 2.864 N/A ALA 183.A N SER 179.A O no hydrogen 2.824 N/A ALA 184.A N LEU 180.A O no hydrogen 3.100 N/A ALA 185.A N GLU 181.A O no hydrogen 2.776 N/A LEU 186.A N GLU 182.A O no hydrogen 3.135 N/A ASP 187.A N ALA 183.A O no hydrogen 3.071 N/A ASP 187.A N ALA 184.A O no hydrogen 2.947 N/A GLY 188.A N ALA 185.A O no hydrogen 2.863 N/A ALA 189.A N ALA 184.A O no hydrogen 3.195 N/A THR 190.A N GLN 193.A OE1 no hydrogen 2.881 N/A GLN 193.A N THR 190.A OG1 no hydrogen 3.087 N/A ALA 194.A N THR 190.A O no hydrogen 2.931 N/A PHE 195.A N PRO 191.A O no hydrogen 3.127 N/A ARG 196.A N TRP 192.A O no hydrogen 2.894 N/A LEU 197.A N GLN 193.A O no hydrogen 2.769 N/A VAL 198.A N ALA 194.A O no hydrogen 3.185 N/A LEU 199.A N ALA 194.A O no hydrogen 3.080 N/A LEU 200.A N PHE 195.A O no hydrogen 3.019 N/A LEU 202.A N LEU 199.A O no hydrogen 3.126 N/A SER 203.A N LEU 200.A O no hydrogen 2.876 N/A SER 203.A OG LEU 199.A O no hydrogen 2.666 N/A ILE 206.A N SER 203.A O no hydrogen 2.944 N/A LEU 207.A N SER 203.A O no hydrogen 3.377 N/A ALA 208.A N VAL 204.A O no hydrogen 3.201 N/A VAL 209.A N PRO 205.A O no hydrogen 3.112 N/A VAL 210.A N ILE 206.A O no hydrogen 3.008 N/A PHE 211.A N LEU 207.A O no hydrogen 2.942 N/A ILE 212.A N ALA 208.A O no hydrogen 2.892 N/A LEU 213.A N VAL 209.A O no hydrogen 2.880 N/A SER 214.A N VAL 210.A O no hydrogen 3.075 N/A SER 214.A OG VAL 210.A O no hydrogen 2.603 N/A PHE 215.A N PHE 211.A O no hydrogen 2.873 N/A ILE 216.A N ILE 212.A O no hydrogen 2.973 N/A ALA 217.A N LEU 213.A O no hydrogen 3.095 N/A ALA 218.A N SER 214.A O no hydrogen 2.929 N/A ILE 219.A N PHE 215.A O no hydrogen 2.967 N/A THR 220.A N ILE 216.A O no hydrogen 3.176 N/A THR 220.A OG1 ILE 216.A O no hydrogen 2.924 N/A THR 220.A OG1 ALA 217.A O no hydrogen 3.322 N/A GLU 221.A N ALA 218.A O no hydrogen 3.330 N/A VAL 224.A N GLU 221.A OE2.A no hydrogen 2.958 N/A VAL 224.A N GLU 221.A OE2.B no hydrogen 2.744 N/A ALA 225.A N GLU 221.A OE1.B no hydrogen 3.009 N/A SER 226.A N VAL 222.A O no hydrogen 2.757 N/A LEU 227.A N PRO 223.A O no hydrogen 3.042 N/A LEU 228.A N VAL 224.A O no hydrogen 3.017 N/A LEU 229.A N ALA 225.A O no hydrogen 2.993 N/A ARG 230.A N ASN 149.A OD1 no hydrogen 2.775 N/A ASP 231.A N ASN 149.A OD1 no hydrogen 2.923 N/A SER 234.A N ASP 231.A O no hydrogen 3.034 N/A SER 234.A OG ASP 231.A O no hydrogen 2.969 N/A TYR 235.A N VAL 232.A O no hydrogen 3.177 N/A TYR 235.A OH ARG 230.A O no hydrogen 3.376 N/A LEU 237.A N SER 80.A OG no hydrogen 2.775 N/A GLY 240.A N THR 236.A O no hydrogen 2.827 N/A MET 241.A N LEU 237.A O no hydrogen 3.004 N/A GLN 242.A N VAL 239.A O no hydrogen 3.182 N/A GLN 243.A N GLY 240.A O no hydrogen 3.038 N/A TYR 244.A N MET 241.A O no hydrogen 3.189 N/A LEU 245.A N GLN 242.A O no hydrogen 2.998 N/A ASN 246.A N ASN 249.A O no hydrogen 3.049 N/A ASN 246.A ND2 ASN 249.A O no hydrogen 3.622 N/A LEU 251.A N TYR 244.A O no hydrogen 2.863 N/A GLY 253.A N ASN 35.A OD1 no hydrogen 2.628 N/A PHE 255.A N LEU 251.A O no hydrogen 2.856 N/A ALA 256.A N TRP 252.A O no hydrogen 2.729 N/A ALA 257.A N GLY 253.A O no hydrogen 3.158 N/A ALA 258.A N ASP 254.A O no hydrogen 3.140 N/A ALA 259.A N PHE 255.A O no hydrogen 2.936 N/A VAL 260.A N ALA 256.A O no hydrogen 2.854 N/A MET 261.A N ALA 257.A O no hydrogen 2.949 N/A SER 262.A N ALA 258.A O no hydrogen 3.055 N/A SER 262.A OG ALA 258.A O no hydrogen 3.501 N/A SER 262.A OG ALA 259.A O no hydrogen 2.732 N/A ALA 263.A N VAL 260.A O no hydrogen 3.303 N/A LEU 264.A N MET 261.A O no hydrogen 3.184 N/A THR 267.A N ALA 263.A O no hydrogen 3.049 N/A THR 267.A OG1 ALA 263.A O no hydrogen 2.722 N/A ILE 268.A N LEU 264.A O no hydrogen 3.176 N/A VAL 269.A N PRO 265.A O no hydrogen 3.053 N/A PHE 270.A N ILE 266.A O no hydrogen 2.917 N/A LEU 271.A N THR 267.A O no hydrogen 2.824 N/A LEU 272.A N ILE 268.A O no hydrogen 2.858 N/A ALA 273.A N VAL 269.A O no hydrogen 2.880 N/A GLN 274.A N LEU 271.A O no hydrogen 3.210 N/A GLN 274.A NE2 PHE 270.A O no hydrogen 2.782 N/A TRP 276.A N ALA 273.A O no hydrogen 3.108 N/A LEU 277.A N GLN 274.A O no hydrogen 2.823 N/A GLY 285.A N THR 282.A O no hydrogen 3.364 N/A