Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ug2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 8.A OE2 no hydrogen 2.750 N/A ILE 5.A N SER 1.A O no hydrogen 3.346 N/A THR 6.A N SER 2.A O no hydrogen 3.233 N/A THR 6.A OG1 SER 2.A O no hydrogen 3.075 N/A VAL 7.A N VAL 3.A O no hydrogen 3.086 N/A GLU 8.A N TYR 4.A O no hydrogen 2.926 N/A LEU 9.A N ILE 5.A O no hydrogen 2.829 N/A ALA 10.A N THR 6.A O no hydrogen 2.804 N/A ILE 11.A N VAL 7.A O no hydrogen 2.896 N/A ALA 12.A N GLU 8.A O no hydrogen 3.118 N/A VAL 13.A N LEU 9.A O no hydrogen 3.075 N/A LEU 14.A N ALA 10.A O no hydrogen 2.990 N/A ALA 15.A N ILE 11.A O no hydrogen 2.872 N/A ILE 16.A N ALA 12.A O no hydrogen 3.193 N/A LEU 17.A N VAL 13.A O no hydrogen 3.223 N/A GLY 18.A N LEU 14.A O no hydrogen 3.169 N/A ASN 19.A N ALA 15.A O no hydrogen 3.329 N/A ASN 19.A ND2 ALA 15.A O no hydrogen 2.653 N/A ASN 19.A ND2 SER 264.A O no hydrogen 2.869 N/A VAL 20.A N ILE 16.A O no hydrogen 2.832 N/A LEU 21.A N LEU 17.A O no hydrogen 3.031 N/A VAL 22.A N GLY 18.A O no hydrogen 3.052 N/A CYS 23.A N ASN 19.A O no hydrogen 3.165 N/A CYS 23.A SG ASN 19.A O no hydrogen 3.431 N/A TRP 24.A N VAL 20.A O no hydrogen 2.744 N/A ALA 25.A N LEU 21.A O no hydrogen 3.206 N/A VAL 26.A N VAL 22.A O no hydrogen 3.435 N/A TRP 27.A N CYS 23.A O no hydrogen 3.127 N/A LEU 28.A N TRP 24.A O no hydrogen 3.049 N/A ASN 29.A N ALA 25.A O no hydrogen 2.879 N/A ASN 29.A ND2 GLU 277.A OE2 no hydrogen 2.901 N/A ASN 29.A ND2 THR 281.A OG1 no hydrogen 2.772 N/A ASN 31.A N ASN 29.A OD1 no hydrogen 2.966 N/A LEU 32.A N ASN 29.A O no hydrogen 3.376 N/A GLN 33.A N SER 30.A O no hydrogen 3.219 N/A GLN 33.A NE2 VAL 26.A O no hydrogen 2.817 N/A GLN 33.A NE2 ASN 29.A O no hydrogen 3.067 N/A THR 36.A OG1 ASP 96.A OD2 no hydrogen 2.676 N/A THR 36.A OG1 TYR 107.A OH no hydrogen 3.011 N/A ASN 37.A N ASN 34.A OD1 no hydrogen 3.081 N/A ASN 37.A ND2 LEU 32.A O no hydrogen 2.655 N/A TYR 38.A N VAL 35.A O no hydrogen 3.157 N/A PHE 39.A N THR 36.A O no hydrogen 3.047 N/A VAL 40.A N THR 36.A O no hydrogen 3.305 N/A VAL 41.A N ASN 37.A O no hydrogen 2.798 N/A SER 42.A N TYR 38.A O no hydrogen 2.901 N/A SER 42.A OG TYR 38.A O no hydrogen 2.689 N/A ALA 43.A N PHE 39.A O no hydrogen 3.042 N/A ALA 44.A N VAL 40.A O no hydrogen 2.865 N/A ALA 45.A N VAL 41.A O no hydrogen 2.740 N/A ALA 46.A N SER 42.A O no hydrogen 2.974 N/A ASP 47.A N ALA 43.A O no hydrogen 3.028 N/A ILE 48.A N ALA 44.A O no hydrogen 2.972 N/A LEU 49.A N ALA 45.A O no hydrogen 3.181 N/A VAL 50.A N ALA 46.A O no hydrogen 3.138 N/A GLY 51.A N ASP 47.A O no hydrogen 3.053 N/A VAL 52.A N ILE 48.A O no hydrogen 2.917 N/A LEU 53.A N LEU 49.A O no hydrogen 2.897 N/A ALA 54.A N LEU 49.A O no hydrogen 3.165 N/A ILE 55.A N VAL 50.A O no hydrogen 2.839 N/A PHE 57.A N LEU 53.A O no hydrogen 3.303 N/A ALA 58.A N ALA 54.A O no hydrogen 2.762 N/A ILE 59.A N ILE 55.A O no hydrogen 2.912 N/A ALA 60.A N PRO 56.A O no hydrogen 3.344 N/A ILE 61.A N PHE 57.A O no hydrogen 3.023 N/A SER 62.A N ALA 58.A O no hydrogen 2.867 N/A SER 62.A N ILE 59.A O no hydrogen 2.948 N/A SER 62.A OG TYR 4.A OH no hydrogen 3.341 N/A SER 62.A OG ALA 58.A O no hydrogen 2.736 N/A THR 63.A N ILE 59.A O no hydrogen 2.806 N/A THR 63.A N ALA 60.A O no hydrogen 3.337 N/A THR 63.A OG1 ILE 59.A O no hydrogen 2.780 N/A GLY 64.A N ALA 60.A O no hydrogen 2.762 N/A CYS 66.A SG GLN 152.A O no hydrogen 4.012 N/A ALA 67.A N VAL 159.A O no hydrogen 3.213 N/A CYS 72.A N ALA 68.A O no hydrogen 2.797 N/A LEU 73.A N CYS 69.A O no hydrogen 2.714 N/A PHE 74.A N HIS 70.A O no hydrogen 2.943 N/A ILE 75.A N GLY 71.A O no hydrogen 3.278 N/A ALA 76.A N CYS 72.A O no hydrogen 3.301 N/A CYS 77.A N LEU 73.A O no hydrogen 2.998 N/A CYS 77.A SG LEU 73.A O no hydrogen 3.365 N/A CYS 77.A SG GLY 131.A O no hydrogen 3.336 N/A PHE 78.A N PHE 74.A O no hydrogen 2.959 N/A VAL 79.A N ILE 75.A O no hydrogen 3.089 N/A LEU 80.A N ALA 76.A O no hydrogen 3.131 N/A VAL 81.A N CYS 77.A O no hydrogen 2.924 N/A LEU 82.A N PHE 78.A O no hydrogen 3.183 N/A THR 83.A N VAL 79.A O no hydrogen 3.089 N/A THR 83.A OG1 VAL 79.A O no hydrogen 2.662 N/A THR 83.A OG1 LEU 80.A O no hydrogen 3.300 N/A ALA 84.A N LEU 80.A O no hydrogen 2.990 N/A SER 85.A N VAL 81.A O no hydrogen 3.003 N/A SER 85.A OG LEU 82.A O no hydrogen 2.985 N/A SER 86.A N LEU 82.A O no hydrogen 3.237 N/A SER 86.A OG ASP 47.A OD1 no hydrogen 3.159 N/A ILE 87.A N THR 83.A O no hydrogen 3.087 N/A PHE 88.A N ALA 84.A O no hydrogen 2.826 N/A SER 89.A N SER 85.A O no hydrogen 3.108 N/A SER 89.A OG SER 85.A O no hydrogen 2.511 N/A LEU 91.A N ILE 87.A O no hydrogen 2.986 N/A ALA 92.A N PHE 88.A O no hydrogen 2.950 N/A ILE 93.A N SER 89.A O no hydrogen 3.380 N/A ILE 93.A N LEU 90.A O no hydrogen 3.167 N/A ALA 94.A N LEU 90.A O no hydrogen 3.373 N/A ILE 95.A N LEU 91.A O no hydrogen 2.983 N/A ASP 96.A N ALA 92.A O no hydrogen 3.032 N/A ARG 97.A N ILE 93.A O no hydrogen 2.973 N/A ARG 97.A NE ASP 96.A OD2 no hydrogen 3.273 N/A ARG 97.A NH2 ASP 96.A OD2 no hydrogen 3.099 N/A TYR 98.A N ALA 94.A O no hydrogen 2.998 N/A ILE 99.A N ILE 95.A O no hydrogen 3.066 N/A ALA 100.A N ASP 96.A O no hydrogen 2.958 N/A ILE 101.A N ARG 97.A O no hydrogen 3.211 N/A ARG 102.A N TYR 98.A O no hydrogen 3.023 N/A ILE 103.A N ILE 99.A O no hydrogen 3.244 N/A ARG 106.A N ILE 103.A O no hydrogen 3.270 N/A TYR 107.A N PRO 104.A O no hydrogen 3.237 N/A TYR 107.A OH ASP 96.A OD1 no hydrogen 2.707 N/A LEU 110.A N ARG 106.A O no hydrogen 2.842 N/A VAL 111.A N TYR 107.A O no hydrogen 2.799 N/A ARG 115.A NH2 GLY 109.A O no hydrogen 2.987 N/A ALA 116.A N THR 112.A O no hydrogen 2.904 N/A LYS 117.A N GLY 113.A O no hydrogen 3.279 N/A GLY 118.A N THR 114.A O no hydrogen 3.012 N/A ILE 119.A N ARG 115.A O no hydrogen 2.827 N/A ILE 120.A N ALA 116.A O no hydrogen 3.184 N/A ALA 121.A N LYS 117.A O no hydrogen 3.077 N/A ILE 122.A N GLY 118.A O no hydrogen 2.960 N/A CYS 123.A N ILE 119.A O no hydrogen 3.024 N/A CYS 123.A SG ILE 119.A O no hydrogen 3.366 N/A TRP 124.A N ILE 120.A O no hydrogen 3.150 N/A VAL 125.A N ALA 121.A O no hydrogen 3.015 N/A LEU 126.A N ILE 122.A O no hydrogen 2.910 N/A SER 127.A N CYS 123.A O no hydrogen 2.903 N/A SER 127.A OG CYS 123.A O no hydrogen 2.730 N/A PHE 128.A N TRP 124.A O no hydrogen 2.936 N/A ALA 129.A N VAL 125.A O no hydrogen 2.784 N/A ILE 130.A N LEU 126.A O no hydrogen 2.861 N/A GLY 131.A N SER 127.A O no hydrogen 2.822 N/A LEU 132.A N PHE 128.A O no hydrogen 2.960 N/A THR 133.A N ILE 130.A O no hydrogen 3.377 N/A THR 133.A OG1 ALA 129.A O no hydrogen 2.729 N/A THR 133.A OG1 ILE 130.A O no hydrogen 3.535 N/A MET 135.A N LEU 132.A O no hydrogen 2.941 N/A LEU 136.A N THR 133.A O no hydrogen 2.886 N/A GLY 137.A N PRO 134.A O no hydrogen 3.117 N/A TRP 138.A NE1 ASN 170.A OD1 no hydrogen 2.704 N/A ASN 139.A ND2 PRO 134.A O no hydrogen 2.724 N/A ASN 140.A N VAL 166.A O no hydrogen 2.941 N/A ASN 140.A ND2 ASP 165.A O no hydrogen 3.521 N/A CYS 141.A N ASN 139.A OD1 no hydrogen 2.844 N/A GLN 143.A N ASN 140.A O no hydrogen 3.228 N/A LYS 145.A NZ ASP 165.A OD1 no hydrogen 3.480 N/A LYS 148.A NZ ASP 165.A OD1 no hydrogen 3.556 N/A LYS 148.A NZ ASP 165.A OD2 no hydrogen 2.753 N/A ALA 149.A N LYS 145.A O no hydrogen 3.200 N/A HIS 150.A N GLU 146.A O no hydrogen 3.292 N/A SER 151.A N GLY 147.A O no hydrogen 3.296 N/A SER 151.A OG GLY 147.A O no hydrogen 3.244 N/A GLN 152.A N LYS 148.A O no hydrogen 3.074 N/A GLY 153.A N HIS 150.A O no hydrogen 2.859 N/A CYS 154.A N ALA 149.A O no hydrogen 2.792 N/A GLY 155.A N GLN 158.A OE1 no hydrogen 3.256 N/A GLN 158.A N GLY 155.A O no hydrogen 3.183 N/A VAL 159.A N ALA 67.A O no hydrogen 2.733 N/A CYS 161.A N PHE 65.A O no hydrogen 2.822 N/A PHE 163.A N ILE 61.A O no hydrogen 3.119 N/A ASP 165.A N LEU 162.A O no hydrogen 2.839 N/A VAL 166.A N PHE 163.A O no hydrogen 3.198 N/A VAL 167.A N PHE 163.A O no hydrogen 2.902 N/A TYR 171.A OH ILE 130.A O no hydrogen 2.642 N/A MET 172.A N PRO 168.A O no hydrogen 3.293 N/A VAL 173.A N MET 169.A O no hydrogen 2.806 N/A TYR 174.A N ASN 170.A O no hydrogen 2.897 N/A PHE 175.A N TYR 171.A O no hydrogen 3.055 N/A ASN 176.A N TYR 171.A O no hydrogen 2.906 N/A ASN 176.A ND2 TYR 171.A OH no hydrogen 3.482 N/A PHE 177.A N MET 172.A O no hydrogen 2.762 N/A ALA 179.A N PHE 175.A O no hydrogen 2.917 N/A CYS 180.A N ASN 176.A O no hydrogen 2.965 N/A VAL 181.A N PHE 177.A O no hydrogen 3.071 N/A LEU 182.A N PHE 177.A O no hydrogen 2.822 N/A VAL 183.A N PHE 178.A O no hydrogen 3.056 N/A LEU 185.A N VAL 181.A O no hydrogen 2.999 N/A LEU 186.A N LEU 182.A O no hydrogen 2.899 N/A LEU 187.A N VAL 183.A O no hydrogen 2.839 N/A MET 188.A N PRO 184.A O no hydrogen 2.828 N/A LEU 189.A N LEU 185.A O no hydrogen 2.804 N/A GLY 190.A N LEU 186.A O no hydrogen 2.943 N/A VAL 191.A N LEU 187.A O no hydrogen 2.985 N/A TYR 192.A N MET 188.A O no hydrogen 3.054 N/A LEU 193.A N LEU 189.A O no hydrogen 2.885 N/A ARG 194.A N GLY 190.A O no hydrogen 3.327 N/A ILE 195.A N VAL 191.A O no hydrogen 3.322 N/A PHE 196.A N TYR 192.A O no hydrogen 2.807 N/A LEU 197.A N LEU 193.A O no hydrogen 2.822 N/A ALA 198.A N ARG 194.A O no hydrogen 3.116 N/A ALA 199.A N ILE 195.A O no hydrogen 3.024 N/A ARG 200.A N PHE 196.A O no hydrogen 3.023 N/A ARG 201.A N LEU 197.A O no hydrogen 3.140 N/A LEU 208.A N ALA 204.A O no hydrogen 3.240 N/A GLN 209.A N ARG 205.A O no hydrogen 2.971 N/A LYS 210.A N SER 206.A O no hydrogen 3.069 N/A GLU 211.A N THR 207.A O no hydrogen 3.083 N/A VAL 212.A N LEU 208.A O no hydrogen 3.119 N/A HIS 213.A N GLN 209.A O no hydrogen 3.084 N/A HIS 213.A NE2 ARG 274.A O no hydrogen 3.187 N/A ALA 214.A N LYS 210.A O no hydrogen 2.896 N/A ALA 215.A N GLU 211.A O no hydrogen 3.090 N/A LYS 216.A N VAL 212.A O no hydrogen 3.101 N/A SER 217.A N HIS 213.A O no hydrogen 3.122 N/A SER 217.A OG HIS 213.A O no hydrogen 3.267 N/A LEU 218.A N ALA 214.A O no hydrogen 2.850 N/A ALA 219.A N ALA 215.A O no hydrogen 2.816 N/A ILE 220.A N LYS 216.A O no hydrogen 3.161 N/A ILE 221.A N SER 217.A O no hydrogen 3.213 N/A VAL 222.A N LEU 218.A O no hydrogen 3.045 N/A GLY 223.A N ALA 219.A O no hydrogen 2.857 N/A LEU 224.A N ILE 220.A O no hydrogen 2.878 N/A PHE 225.A N ILE 221.A O no hydrogen 2.837 N/A ALA 226.A N VAL 222.A O no hydrogen 2.988 N/A LEU 227.A N GLY 223.A O no hydrogen 3.094 N/A CYS 228.A N LEU 224.A O no hydrogen 2.779 N/A CYS 228.A SG LEU 224.A O no hydrogen 3.292 N/A TRP 229.A N PHE 225.A O no hydrogen 2.868 N/A LEU 230.A N ALA 226.A O no hydrogen 3.042 N/A HIS 233.A N TRP 229.A O no hydrogen 3.446 N/A ILE 234.A N LEU 230.A O no hydrogen 2.739 N/A ILE 235.A N PRO 231.A O no hydrogen 2.981 N/A ASN 236.A N LEU 232.A O no hydrogen 2.938 N/A CYS 237.A N HIS 233.A O no hydrogen 3.077 N/A CYS 237.A SG HIS 233.A O no hydrogen 3.457 N/A PHE 238.A N ILE 234.A O no hydrogen 3.137 N/A THR 239.A N ILE 235.A O no hydrogen 3.017 N/A THR 239.A OG1 ILE 235.A O no hydrogen 3.124 N/A PHE 240.A N ASN 236.A O no hydrogen 3.092 N/A PHE 241.A N CYS 237.A O no hydrogen 2.817 N/A CYS 242.A N PHE 238.A O no hydrogen 3.026 N/A HIS 247.A ND1 ALA 248.A O no hydrogen 2.707 N/A HIS 247.A NE2 GLU 164.A OE1 no hydrogen 2.710 N/A LEU 252.A N PRO 249.A O no hydrogen 3.101 N/A MET 253.A N PRO 249.A O no hydrogen 3.069 N/A TYR 254.A N LEU 250.A O no hydrogen 2.930 N/A LEU 255.A N TRP 251.A O no hydrogen 3.132 N/A ALA 256.A N LEU 252.A O no hydrogen 3.067 N/A ILE 257.A N MET 253.A O no hydrogen 2.959 N/A VAL 258.A N TYR 254.A O no hydrogen 2.867 N/A LEU 259.A N LEU 255.A O no hydrogen 2.808 N/A SER 260.A N ALA 256.A O no hydrogen 3.109 N/A SER 260.A OG ILE 257.A O no hydrogen 2.585 N/A HIS 261.A N ILE 257.A O no hydrogen 3.150 N/A HIS 261.A ND1 GLU 8.A OE1 no hydrogen 2.734 N/A THR 262.A N VAL 258.A O no hydrogen 3.052 N/A THR 262.A OG1 VAL 258.A O no hydrogen 2.700 N/A SER 264.A N HIS 261.A O no hydrogen 2.977 N/A SER 264.A OG ASP 47.A OD1 no hydrogen 2.985 N/A VAL 265.A N THR 262.A O no hydrogen 2.953 N/A VAL 266.A N THR 262.A O no hydrogen 3.230 N/A VAL 266.A N ASN 263.A O no hydrogen 3.272 N/A ASN 267.A N ASN 263.A O no hydrogen 2.760 N/A ASN 267.A ND2 ASN 263.A OD1 no hydrogen 2.750 N/A ILE 270.A N VAL 266.A O no hydrogen 3.086 N/A ALA 272.A N PRO 268.A O no hydrogen 3.154 N/A TYR 273.A N PHE 269.A O no hydrogen 2.796 N/A ARG 274.A N ILE 270.A O no hydrogen 3.014 N/A ARG 274.A N TYR 271.A O no hydrogen 3.187 N/A ARG 274.A NE SER 217.A OG no hydrogen 2.987 N/A ARG 274.A NH2 HIS 213.A O no hydrogen 3.276 N/A ARG 274.A NH2 SER 217.A OG no hydrogen 3.298 N/A ILE 275.A N ALA 272.A O no hydrogen 2.853 N/A ARG 279.A N ILE 275.A O no hydrogen 2.975 N/A ARG 279.A NH1 TYR 273.A O no hydrogen 2.985 N/A GLN 280.A N ARG 276.A O no hydrogen 2.954 N/A THR 281.A N GLU 277.A O no hydrogen 3.177 N/A THR 281.A OG1 GLU 277.A O no hydrogen 2.688 N/A PHE 282.A N PHE 278.A O no hydrogen 2.782 N/A ARG 283.A N ARG 279.A O no hydrogen 3.342 N/A LYS 284.A N GLN 280.A O no hydrogen 2.959 N/A ILE 285.A N THR 281.A O no hydrogen 2.954 N/A ILE 286.A N PHE 282.A O no hydrogen 3.072 N/A ARG 287.A N ARG 283.A O no hydrogen 2.777 N/A SER 288.A N LYS 284.A O no hydrogen 2.917 N/A HIS 289.A N LYS 284.A O no hydrogen 3.273 N/A VAL 290.A N ILE 285.A O no hydrogen 2.960 N/A ARG 292.A N SER 288.A O no hydrogen 3.287 N/A