Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4roe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG TYR 38.A OH no hydrogen 2.704 N/A GLN 7.A N SER 3.A O no hydrogen 3.166 N/A ARG 8.A N ARG 4.A O no hydrogen 2.971 N/A GLY 9.A N SER 5.A O no hydrogen 3.209 N/A LEU 10.A N GLN 6.A O no hydrogen 2.887 N/A ARG 11.A N GLN 7.A O no hydrogen 3.061 N/A ARG 12.A N ARG 8.A O no hydrogen 3.057 N/A VAL 13.A N GLY 9.A O no hydrogen 3.027 N/A ARG 14.A N LEU 10.A O no hydrogen 3.287 N/A ASP 15.A N ARG 11.A O no hydrogen 3.095 N/A LEU 16.A N ARG 12.A O no hydrogen 3.039 N/A CYS 17.A N VAL 13.A O no hydrogen 3.128 N/A CYS 17.A SG VAL 13.A O no hydrogen 3.329 N/A ARG 18.A N ARG 14.A O no hydrogen 3.125 N/A ARG 18.A NH2 GLU 27.A OE1 no hydrogen 3.567 N/A VAL 19.A N ASP 15.A O no hydrogen 2.994 N/A LEU 20.A N LEU 16.A O no hydrogen 2.978 N/A GLN 21.A N ARG 18.A O no hydrogen 3.161 N/A LEU 22.A N CYS 17.A O no hydrogen 3.186 N/A PHE 26.A N PRO 23.A O no hydrogen 3.296 N/A THR 29.A OG1 THR 25.A O no hydrogen 3.331 N/A ALA 30.A N PHE 26.A O no hydrogen 3.054 N/A VAL 31.A N GLU 27.A O no hydrogen 3.016 N/A ALA 32.A N ASP 28.A O no hydrogen 3.151 N/A TYR 33.A N THR 29.A O no hydrogen 3.086 N/A TYR 33.A OH GLN 65.A OE1 no hydrogen 2.722 N/A TYR 34.A N ALA 30.A O no hydrogen 3.159 N/A GLN 35.A N VAL 31.A O no hydrogen 3.101 N/A GLN 36.A N ALA 32.A O no hydrogen 2.988 N/A ALA 37.A N TYR 33.A O no hydrogen 2.834 N/A TYR 38.A N TYR 34.A O no hydrogen 2.935 N/A TYR 38.A OH SER 5.A OG no hydrogen 2.704 N/A HIS 40.A N ALA 37.A O no hydrogen 3.180 N/A ILE 43.A N HIS 40.A O no hydrogen 3.306 N/A ARG 44.A N HIS 40.A O no hydrogen 3.069 N/A ARG 44.A NH1 ARG 39.A O no hydrogen 3.413 N/A ALA 45.A N SER 41.A O no hydrogen 3.049 N/A ALA 46.A N ILE 43.A O no hydrogen 2.971 N/A LYS 50.A NZ SER 88.A OG no hydrogen 3.110 N/A LYS 51.A N ARG 47.A O no hydrogen 3.040 N/A LYS 51.A NZ ARG 44.A O no hydrogen 2.799 N/A LYS 51.A NZ ALA 46.A O no hydrogen 2.777 N/A VAL 53.A N GLN 49.A O no hydrogen 3.172 N/A LEU 54.A N LYS 50.A O no hydrogen 3.049 N/A CYS 57.A N VAL 53.A O no hydrogen 3.032 N/A CYS 57.A SG VAL 53.A O no hydrogen 3.201 N/A CYS 57.A SG PHE 86.A O no hydrogen 3.855 N/A CYS 58.A N LEU 54.A O no hydrogen 3.173 N/A CYS 58.A SG LEU 54.A O no hydrogen 3.370 N/A VAL 59.A N VAL 55.A O no hydrogen 3.263 N/A LEU 60.A N GLY 56.A O no hydrogen 2.825 N/A ILE 61.A N CYS 57.A O no hydrogen 2.855 N/A THR 62.A N CYS 58.A O no hydrogen 3.423 N/A THR 62.A OG1 CYS 58.A O no hydrogen 2.754 N/A CYS 63.A N VAL 59.A O no hydrogen 2.998 N/A CYS 63.A SG VAL 59.A O no hydrogen 3.235 N/A ARG 64.A N LEU 60.A O no hydrogen 2.815 N/A ARG 64.A NH1 PRO 102.A O no hydrogen 3.106 N/A GLN 65.A N ILE 61.A O no hydrogen 3.086 N/A GLN 65.A NE2 TYR 33.A OH no hydrogen 2.881 N/A HIS 66.A N THR 62.A O no hydrogen 3.341 N/A HIS 66.A N CYS 63.A O no hydrogen 3.112 N/A HIS 66.A ND1 THR 62.A O no hydrogen 2.954 N/A ASN 67.A N ARG 64.A O no hydrogen 3.361 N/A TRP 68.A N CYS 63.A O no hydrogen 2.820 N/A LEU 70.A N TRP 68.A O no hydrogen 2.831 N/A ALA 74.A N THR 71.A OG1 no hydrogen 3.108 N/A ILE 75.A N THR 71.A O no hydrogen 3.081 N/A CYS 76.A N MET 72.A O no hydrogen 2.991 N/A CYS 76.A SG MET 72.A O no hydrogen 3.355 N/A THR 77.A N GLY 73.A O no hydrogen 3.007 N/A THR 77.A OG1 GLY 73.A O no hydrogen 2.811 N/A LEU 78.A N ALA 74.A O no hydrogen 3.178 N/A LEU 79.A N ILE 75.A O no hydrogen 3.030 N/A TYR 80.A N THR 77.A O no hydrogen 3.378 N/A ALA 81.A N CYS 76.A O no hydrogen 2.880 N/A ASP 84.A N ASP 82.A OD1 no hydrogen 3.111 N/A VAL 85.A N ASP 82.A O no hydrogen 3.178 N/A PHE 86.A N ASP 82.A O no hydrogen 3.038 N/A SER 87.A N LEU 83.A O no hydrogen 2.723 N/A SER 88.A N ASP 84.A O no hydrogen 3.098 N/A SER 88.A OG ASP 84.A O no hydrogen 3.373 N/A SER 88.A OG VAL 85.A O no hydrogen 3.284 N/A THR 89.A N VAL 85.A O no hydrogen 3.165 N/A THR 89.A OG1 VAL 85.A O no hydrogen 2.736 N/A TYR 90.A N PHE 86.A O no hydrogen 2.920 N/A MET 91.A N SER 87.A O no hydrogen 3.177 N/A GLN 92.A N SER 88.A O no hydrogen 3.072 N/A ILE 93.A N THR 89.A O no hydrogen 3.012 N/A VAL 94.A N TYR 90.A O no hydrogen 3.125 N/A LYS 95.A N MET 91.A O no hydrogen 3.356 N/A LEU 96.A N GLN 92.A O no hydrogen 2.923 N/A LEU 97.A N ILE 93.A O no hydrogen 2.966 N/A LEU 99.A N VAL 94.A O no hydrogen 3.182 N/A LEU 109.A N CYS 105.A O no hydrogen 3.139 N/A VAL 110.A N LEU 106.A O no hydrogen 2.884 N/A LYS 111.A N ALA 107.A O no hydrogen 3.158 N/A LYS 111.A NZ GLU 108.A OE2 no hydrogen 2.845 N/A THR 112.A N GLU 108.A O no hydrogen 3.085 N/A THR 112.A OG1 GLU 108.A O no hydrogen 3.221 N/A TYR 113.A N LEU 109.A O no hydrogen 2.790 N/A TYR 113.A OH THR 164.A OG1 no hydrogen 2.896 N/A CYS 114.A N.A VAL 110.A O no hydrogen 2.903 N/A CYS 114.A N.B VAL 110.A O no hydrogen 2.937 N/A CYS 114.A SG.B THR 167.A OG1 no hydrogen 3.057 N/A SER 115.A N LYS 111.A O no hydrogen 3.248 N/A SER 115.A OG LYS 111.A O no hydrogen 2.747 N/A SER 116.A N TYR 113.A O no hydrogen 3.221 N/A SER 116.A OG TYR 113.A O no hydrogen 2.643 N/A PHE 117.A N CYS 114.A O.A no hydrogen 3.429 N/A PHE 117.A N CYS 114.A O.B no hydrogen 3.290 N/A LYS 118.A N ALA 191.A O no hydrogen 2.888 N/A LYS 118.A NZ ASN 192.A OD1 no hydrogen 3.014 N/A SER 123.A N VAL 126.A O no hydrogen 2.912 N/A SER 123.A OG SER 125.A OG no hydrogen 3.379 N/A SER 125.A OG SER 123.A OG no hydrogen 3.379 N/A VAL 126.A N SER 123.A O no hydrogen 2.965 N/A VAL 126.A N SER 123.A OG no hydrogen 3.180 N/A LYS 129.A NZ ASP 178.A OD1 no hydrogen 3.069 N/A TYR 130.A N PRO 127.A O no hydrogen 2.905 N/A VAL 131.A N ALA 128.A O no hydrogen 3.219 N/A GLU 132.A N LEU 119.A O no hydrogen 2.910 N/A ASP 133.A N GLU 132.A OE2 no hydrogen 2.952 N/A LYS 134.A NZ SER 115.A OG no hydrogen 2.860 N/A LYS 136.A N ASP 133.A OD2 no hydrogen 3.121 N/A MET 137.A N ASP 133.A O no hydrogen 3.033 N/A LEU 138.A N LYS 134.A O no hydrogen 3.003 N/A SER 139.A N GLU 135.A O no hydrogen 2.998 N/A ARG 140.A N LYS 136.A O no hydrogen 3.089 N/A ARG 140.A NH1 SER 173.A OG no hydrogen 2.998 N/A THR 141.A N MET 137.A O no hydrogen 2.980 N/A THR 141.A OG1 MET 137.A O no hydrogen 2.650 N/A MET 142.A N LEU 138.A O no hydrogen 2.987 N/A GLN 143.A N SER 139.A O no hydrogen 3.323 N/A GLN 143.A NE2 SER 139.A O no hydrogen 3.074 N/A LEU 144.A N ARG 140.A O no hydrogen 3.116 N/A VAL 145.A N THR 141.A O no hydrogen 2.926 N/A GLU 146.A N MET 142.A O no hydrogen 3.053 N/A LEU 147.A N GLN 143.A O no hydrogen 2.955 N/A ALA 148.A N LEU 144.A O no hydrogen 2.945 N/A ASN 149.A N VAL 145.A O no hydrogen 2.919 N/A GLU 150.A N GLU 146.A O no hydrogen 3.049 N/A THR 151.A N LEU 147.A O no hydrogen 2.996 N/A THR 151.A OG1 LEU 147.A O no hydrogen 2.658 N/A LEU 153.A N ALA 148.A O no hydrogen 2.817 N/A ARG 157.A N VAL 154.A O no hydrogen 3.073 N/A ARG 157.A NH1 LEU 153.A O no hydrogen 2.716 N/A ARG 157.A NH1 GLU 205.A OE1 no hydrogen 2.835 N/A ARG 157.A NH2 GLU 205.A OE2 no hydrogen 2.994 N/A VAL 162.A N PRO 159.A O no hydrogen 3.152 N/A THR 164.A N LEU 160.A O no hydrogen 2.972 N/A THR 164.A OG1 TYR 113.A OH no hydrogen 2.896 N/A THR 164.A OG1 LEU 160.A O no hydrogen 3.090 N/A ALA 165.A N PRO 161.A O no hydrogen 3.102 N/A ALA 166.A N VAL 162.A O no hydrogen 2.934 N/A THR 167.A N ILE 163.A O no hydrogen 2.781 N/A THR 167.A OG1 ILE 163.A O no hydrogen 2.597 N/A PHE 168.A N THR 164.A O no hydrogen 3.174 N/A LEU 169.A N ALA 165.A O no hydrogen 3.099 N/A ALA 170.A N ALA 166.A O no hydrogen 2.863 N/A TRP 171.A N THR 167.A O no hydrogen 2.916 N/A TRP 171.A NE1 TYR 130.A O no hydrogen 2.886 N/A GLN 172.A N PHE 168.A O no hydrogen 2.872 N/A GLN 172.A NE2 ARG 179.A O no hydrogen 3.028 N/A GLN 172.A NE2 CYS 182.A O no hydrogen 3.247 N/A SER 173.A N LEU 169.A O no hydrogen 3.058 N/A SER 173.A OG LEU 169.A O no hydrogen 2.915 N/A SER 173.A OG ALA 170.A O no hydrogen 2.810 N/A LEU 174.A N ALA 170.A O no hydrogen 3.214 N/A LEU 174.A N TRP 171.A O no hydrogen 3.310 N/A GLN 175.A N GLN 172.A O no hydrogen 3.321 N/A GLN 175.A NE2 ASP 178.A OD2 no hydrogen 3.190 N/A ARG 179.A N GLN 175.A O no hydrogen 3.258 N/A ARG 179.A NE LYS 129.A O no hydrogen 3.375 N/A ARG 179.A NH1 GLU 132.A OE1 no hydrogen 2.714 N/A ARG 179.A NH1 TRP 171.A O no hydrogen 2.833 N/A ARG 179.A NH2 LYS 129.A O no hydrogen 3.166 N/A ARG 179.A NH2 GLU 132.A OE1 no hydrogen 3.152 N/A LEU 180.A N PRO 176.A O no hydrogen 3.323 N/A CYS 182.A N ARG 179.A O no hydrogen 3.181 N/A CYS 182.A SG SER 183.A O no hydrogen 3.467 N/A ARG 186.A N SER 183.A OG no hydrogen 3.152 N/A ARG 186.A NH1 TYR 130.A OH no hydrogen 2.970 N/A PHE 187.A N SER 183.A O no hydrogen 2.875 N/A CYS 188.A N LEU 184.A O no hydrogen 3.052 N/A CYS 188.A SG LEU 184.A O no hydrogen 3.517 N/A LYS 189.A N ALA 185.A O no hydrogen 3.171 N/A LEU 190.A N ARG 186.A O no hydrogen 3.008 N/A ALA 191.A N PHE 187.A O no hydrogen 3.008 N/A ASN 192.A N LYS 189.A O no hydrogen 3.225 N/A VAL 193.A N CYS 188.A O no hydrogen 2.852 N/A ALA 199.A N PRO 196.A O no hydrogen 3.098 N/A ARG 202.A N PRO 198.A O no hydrogen 3.091 N/A ARG 202.A NE GLU 205.A OE1 no hydrogen 2.890 N/A ARG 202.A NH2 GLU 205.A OE2 no hydrogen 3.044 N/A LEU 203.A N ALA 199.A O no hydrogen 2.924 N/A GLN 204.A N SER 200.A O no hydrogen 3.139 N/A GLU 205.A N SER 201.A O no hydrogen 3.056 N/A LEU 206.A N ARG 202.A O no hydrogen 2.997 N/A LEU 207.A N LEU 203.A O no hydrogen 2.968 N/A ALA 208.A N GLN 204.A O no hydrogen 3.066 N/A VAL 209.A N GLU 205.A O no hydrogen 3.038 N/A LEU 210.A N LEU 206.A O no hydrogen 3.030 N/A LEU 211.A N LEU 207.A O no hydrogen 3.098 N/A ARG 212.A N ALA 208.A O no hydrogen 3.184 N/A ARG 212.A NH1 LEU 252.A O no hydrogen 3.376 N/A MET 213.A N VAL 209.A O no hydrogen 3.015 N/A ALA 214.A N LEU 210.A O no hydrogen 2.996 N/A GLU 215.A N LEU 211.A O no hydrogen 3.274 N/A GLN 216.A N MET 213.A O no hydrogen 2.985 N/A GLN 216.A NE2 SER 247.A OG no hydrogen 3.022 N/A GLN 216.A NE2 ASP 251.A OD2 no hydrogen 2.824 N/A LEU 217.A N ALA 214.A O no hydrogen 3.312 N/A LEU 220.A N LEU 217.A O no hydrogen 3.032 N/A ARG 221.A N LEU 217.A O no hydrogen 2.879 N/A ARG 221.A NH1 GLU 215.A O no hydrogen 2.822 N/A VAL 222.A N ALA 218.A O no hydrogen 3.207 N/A LEU 223.A N LEU 220.A O no hydrogen 3.170 N/A ARG 224.A N ARG 221.A O no hydrogen 3.402 N/A ASP 226.A N SER 229.A OG no hydrogen 2.891 N/A LYS 227.A NZ GLN 204.A OE1 no hydrogen 3.550 N/A ARG 228.A NH2 LEU 180.A O no hydrogen 2.783 N/A SER 229.A N ASP 226.A OD1 no hydrogen 2.571 N/A SER 229.A OG ASP 226.A OD1 no hydrogen 2.679 N/A VAL 230.A N ASP 226.A O no hydrogen 2.956 N/A LYS 232.A NZ SER 229.A O no hydrogen 3.009 N/A HIS 233.A N VAL 230.A O no hydrogen 2.890 N/A ILE 234.A N VAL 231.A O no hydrogen 3.208 N/A LEU 237.A N HIS 233.A O no hydrogen 2.939 N/A LEU 238.A N ILE 234.A O no hydrogen 2.814 N/A GLN 239.A N GLY 235.A O no hydrogen 3.213 N/A ARG 241.A N LEU 238.A O no hydrogen 3.357 N/A ARG 241.A NH1 GLU 150.A OE1 no hydrogen 3.063 N/A ARG 241.A NH1 GLU 150.A OE2 no hydrogen 3.349 N/A LEU 244.A N HIS 240.A O no hydrogen 2.882 N/A VAL 245.A N ARG 241.A O no hydrogen 2.981 N/A ARG 246.A N GLN 242.A O no hydrogen 3.193 N/A SER 247.A N SER 243.A O no hydrogen 3.011 N/A ALA 248.A N LEU 244.A O no hydrogen 2.980 N/A PHE 249.A N VAL 245.A O no hydrogen 3.063 N/A ARG 250.A N ARG 246.A O no hydrogen 3.189 N/A ARG 250.A NH2 SER 247.A OG no hydrogen 3.063 N/A ASP 251.A N SER 247.A O no hydrogen 3.382 N/A MET 258.A N PRO 255.A O no hydrogen 2.959 N/A LYS 260.A N MET 258.A O no hydrogen 2.884 N/A LYS 263.A NZ SER 261.A O no hydrogen 3.261 N/A THR 275.A N GLU 278.A OE2 no hydrogen 3.151 N/A THR 275.A OG1 GLU 278.A OE2 no hydrogen 3.071 N/A GLY 276.A N GLU 278.A OE2 no hydrogen 2.749 N/A SER 281.A OG SER 283.A OG no hydrogen 3.380 N/A SER 283.A OG SER 281.A OG no hydrogen 3.380 N/A GLU 286.A N ASP 282.A O no hydrogen 2.881 N/A GLN 287.A NE2 GLU 284.A O no hydrogen 2.976 N/A TYR 288.A N ILE 285.A O no hydrogen 2.953 N/A LEU 289.A N GLU 286.A O no hydrogen 3.241 N/A THR 291.A N GLU 294.A OE1 no hydrogen 3.031 N/A THR 291.A OG1 GLU 294.A OE1 no hydrogen 3.316 N/A GLN 293.A NE2 ASP 297.A OD1 no hydrogen 2.883 N/A GLU 294.A N THR 291.A OG1 no hydrogen 3.286 N/A VAL 295.A N THR 291.A O no hydrogen 3.068 N/A ARG 296.A N PRO 292.A O no hydrogen 3.052 N/A ARG 296.A NE PRO 292.A O no hydrogen 3.269 N/A ASP 297.A N GLN 293.A O no hydrogen 2.899 N/A PHE 298.A N GLU 294.A O no hydrogen 2.926 N/A GLN 299.A N VAL 295.A O no hydrogen 2.878 N/A ARG 300.A N ARG 296.A O no hydrogen 3.105 N/A ALA 301.A N ASP 297.A O no hydrogen 3.231 N/A GLN 302.A N PHE 298.A O no hydrogen 3.087 N/A GLN 302.A N GLN 299.A O no hydrogen 3.333 N/A ALA 303.A N GLN 299.A O no hydrogen 3.054 N/A ALA 303.A N ARG 300.A O no hydrogen 3.272 N/A ARG 305.A NE ALA 301.A O no hydrogen 3.404 N/A