Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3puo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N LYS 200.A O no hydrogen 3.050 N/A MET 6.A N ASN 202.A O no hydrogen 3.140 N/A VAL 7.A N ALA 38.A O no hydrogen 3.185 N/A ALA 8.A N SER 204.A O no hydrogen 2.624 N/A THR 11.A OG1 GLY 46.A O no hydrogen 2.790 N/A ASP 14.A N ARG 18.A O no hydrogen 2.989 N/A GLY 17.A N ASP 14.A O no hydrogen 2.517 N/A ARG 18.A N ASP 14.A OD1 no hydrogen 3.007 N/A ASP 20.A N PRO 12.A O no hydrogen 3.135 N/A ASP 22.A N ASP 20.A OD1 no hydrogen 2.882 N/A SER 23.A N ASP 20.A OD1 no hydrogen 3.391 N/A SER 23.A OG ASP 20.A OD2 no hydrogen 3.004 N/A ALA 25.A N TRP 21.A O no hydrogen 3.294 N/A LYS 26.A N ASP 22.A O no hydrogen 3.278 N/A LEU 27.A N SER 23.A O no hydrogen 2.897 N/A VAL 28.A N LEU 24.A O no hydrogen 2.910 N/A ASP 29.A N ALA 25.A O no hydrogen 2.895 N/A PHE 30.A N LYS 26.A O no hydrogen 2.711 N/A HIS 31.A N LEU 27.A O no hydrogen 3.088 N/A HIS 31.A ND1 LEU 27.A O no hydrogen 2.863 N/A LEU 32.A N VAL 28.A O no hydrogen 2.812 N/A GLN 33.A N ASP 29.A O no hydrogen 2.788 N/A ASP 34.A N PHE 30.A O no hydrogen 3.078 N/A ASN 37.A N SER 5.A O no hydrogen 3.051 N/A ASN 37.A ND2 SER 5.A O no hydrogen 3.157 N/A ALA 38.A N SER 5.A O no hydrogen 3.340 N/A ILE 39.A N PRO 72.A O no hydrogen 3.399 N/A VAL 40.A N VAL 7.A O no hydrogen 2.952 N/A ALA 41.A N ILE 74.A O no hydrogen 2.853 N/A THR 44.A OG1 TYR 133.A OH no hydrogen 3.178 N/A GLU 47.A N THR 44.A O no hydrogen 3.285 N/A SER 48.A N GLY 43.A O no hydrogen 3.092 N/A SER 48.A OG GLY 43.A O no hydrogen 3.228 N/A THR 50.A N GLU 47.A O no hydrogen 3.331 N/A ASP 52.A N GLU 55.A OE1 no hydrogen 2.699 N/A HIS 56.A N ASP 52.A O no hydrogen 2.968 N/A HIS 56.A NE2 GLY 76.A O no hydrogen 2.742 N/A GLN 58.A N GLU 54.A O no hydrogen 3.319 N/A VAL 59.A N GLU 55.A O no hydrogen 3.154 N/A VAL 60.A N HIS 56.A O no hydrogen 3.242 N/A ARG 61.A N ILE 57.A O no hydrogen 2.781 N/A ARG 62.A N GLN 58.A O no hydrogen 2.972 N/A ARG 62.A NE GLN 58.A OE1 no hydrogen 3.456 N/A ARG 62.A NH2 GLN 58.A OE1 no hydrogen 3.336 N/A VAL 63.A N VAL 59.A O no hydrogen 3.268 N/A VAL 64.A N VAL 60.A O no hydrogen 3.216 N/A ASP 65.A N ARG 61.A O no hydrogen 3.080 N/A GLN 66.A N ARG 62.A O no hydrogen 3.176 N/A GLN 66.A NE2 ALA 25.A O no hydrogen 3.113 N/A VAL 67.A N VAL 63.A O no hydrogen 2.805 N/A LYS 68.A N VAL 64.A O no hydrogen 2.952 N/A ARG 70.A N VAL 67.A O no hydrogen 3.191 N/A ARG 70.A NE VAL 67.A O no hydrogen 3.033 N/A ARG 70.A NH2 GLN 66.A O no hydrogen 2.953 N/A VAL 73.A N ASP 98.A OD2 no hydrogen 2.421 N/A ILE 74.A N ILE 39.A O no hydrogen 2.904 N/A ALA 75.A N ALA 99.A O no hydrogen 2.829 N/A GLY 76.A N ALA 41.A O no hydrogen 3.093 N/A THR 77.A N LEU 101.A O no hydrogen 2.887 N/A THR 77.A OG1 THR 89.A OG1 no hydrogen 3.164 N/A THR 82.A OG1 HIS 118.A ND1 no hydrogen 2.900 N/A ALA 85.A N SER 81.A O no hydrogen 2.978 N/A ALA 85.A N THR 82.A O no hydrogen 2.947 N/A VAL 86.A N THR 82.A O no hydrogen 2.968 N/A ALA 87.A N ARG 83.A O no hydrogen 3.156 N/A LEU 88.A N GLU 84.A O no hydrogen 3.326 N/A THR 89.A N ALA 85.A O no hydrogen 2.917 N/A THR 89.A OG1 THR 77.A OG1 no hydrogen 3.164 N/A THR 89.A OG1 ALA 85.A O no hydrogen 2.522 N/A GLU 90.A N VAL 86.A O no hydrogen 2.751 N/A ALA 91.A N ALA 87.A O no hydrogen 2.854 N/A ALA 92.A N LEU 88.A O no hydrogen 2.911 N/A ALA 92.A N THR 89.A O no hydrogen 3.235 N/A LYS 93.A N THR 89.A O no hydrogen 3.162 N/A SER 94.A N GLU 90.A O no hydrogen 3.086 N/A GLY 95.A N LYS 93.A O no hydrogen 2.467 N/A GLY 96.A N LYS 93.A O no hydrogen 2.731 N/A ALA 97.A N ALA 92.A O no hydrogen 3.197 N/A ASP 98.A N VAL 73.A O no hydrogen 2.762 N/A CYS 100.A N PRO 129.A O no hydrogen 2.945 N/A CYS 100.A SG THR 89.A O no hydrogen 3.958 N/A LEU 101.A N ALA 75.A O no hydrogen 2.898 N/A LEU 102.A N ILE 131.A O no hydrogen 2.916 N/A THR 104.A N TYR 133.A O no hydrogen 3.053 N/A ASN 108.A ND2 ASN 80.A O no hydrogen 3.303 N/A GLN 112.A NE2 ASP 142.A O no hydrogen 2.703 N/A MET 115.A N THR 111.A O no hydrogen 2.980 N/A TYR 116.A N GLN 112.A O no hydrogen 3.110 N/A GLN 117.A N GLU 113.A O no hydrogen 3.158 N/A GLN 117.A NE2 GLU 113.A OE2 no hydrogen 3.334 N/A HIS 118.A ND1 THR 82.A OG1 no hydrogen 2.900 N/A PHE 119.A N MET 115.A O no hydrogen 3.155 N/A ARG 120.A N TYR 116.A O no hydrogen 2.895 N/A ILE 122.A N HIS 118.A O no hydrogen 3.347 N/A ALA 123.A N PHE 119.A O no hydrogen 2.941 N/A GLU 124.A N ARG 120.A O no hydrogen 3.100 N/A GLU 124.A N HIS 121.A O no hydrogen 2.978 N/A ALA 125.A N HIS 121.A O no hydrogen 2.642 N/A VAL 126.A N ILE 122.A O no hydrogen 2.954 N/A ILE 128.A N VAL 126.A O no hydrogen 2.902 N/A GLN 130.A N ASN 156.A O no hydrogen 2.916 N/A GLN 130.A NE2 ILE 122.A O no hydrogen 3.182 N/A ILE 131.A N CYS 100.A O no hydrogen 2.733 N/A LEU 132.A N GLY 159.A O no hydrogen 2.869 N/A TYR 133.A OH THR 44.A OG1 no hydrogen 3.178 N/A ASN 134.A N LYS 161.A O no hydrogen 2.957 N/A ASN 134.A ND2 ASP 142.A OD1 no hydrogen 2.733 N/A ARG 138.A N VAL 135.A O no hydrogen 2.864 N/A ARG 138.A NH2 ASN 248.A O no hydrogen 2.923 N/A THR 139.A N VAL 135.A O no hydrogen 3.116 N/A THR 139.A OG1 VAL 135.A O no hydrogen 3.372 N/A SER 140.A N PRO 136.A O no hydrogen 3.046 N/A CYS 141.A SG THR 104.A OG1 no hydrogen 3.129 N/A CYS 141.A SG PRO 105.A O no hydrogen 3.276 N/A MET 143.A N ASN 134.A OD1 no hydrogen 2.996 N/A LEU 144.A N GLN 112.A OE1 no hydrogen 3.069 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.711 N/A THR 147.A N LEU 144.A O no hydrogen 2.928 N/A THR 147.A OG1 GLN 112.A OE1 no hydrogen 2.872 N/A VAL 148.A N LEU 144.A O no hydrogen 3.207 N/A GLU 149.A N PRO 145.A O no hydrogen 3.061 N/A ARG 150.A N GLU 146.A O no hydrogen 3.275 N/A ARG 150.A NH1 GLU 113.A OE1 no hydrogen 3.118 N/A ARG 150.A NH2 GLU 113.A OE1 no hydrogen 3.087 N/A LEU 151.A N THR 147.A O no hydrogen 3.226 N/A SER 152.A N VAL 148.A O no hydrogen 2.886 N/A SER 152.A OG GLU 149.A O no hydrogen 2.587 N/A VAL 154.A N LEU 151.A O no hydrogen 3.016 N/A ASN 156.A ND2 ALA 123.A O no hydrogen 3.169 N/A ILE 158.A N GLN 130.A O no hydrogen 3.121 N/A ILE 160.A N LEU 182.A O no hydrogen 3.076 N/A LYS 161.A N LEU 132.A O no hydrogen 2.597 N/A LYS 161.A NZ TYR 133.A OH no hydrogen 3.075 N/A GLU 162.A N TYR 184.A O no hydrogen 3.113 N/A ALA 163.A N ASN 134.A O no hydrogen 2.968 N/A THR 164.A N GLU 162.A OE2 no hydrogen 3.002 N/A THR 164.A OG1 GLU 162.A OE2 no hydrogen 2.259 N/A ASP 166.A N THR 164.A OG1 no hydrogen 3.282 N/A ARG 169.A N ASP 166.A OD1 no hydrogen 2.711 N/A ARG 169.A NH1 ASP 142.A OD1 no hydrogen 3.315 N/A ARG 169.A NH2 ASP 142.A OD2 no hydrogen 3.357 N/A LYS 171.A N LEU 167.A O no hydrogen 3.281 N/A GLU 172.A N GLN 168.A O no hydrogen 3.155 N/A VAL 173.A N ARG 169.A O no hydrogen 2.997 N/A ILE 174.A N ALA 170.A O no hydrogen 2.711 N/A GLU 175.A N LYS 171.A O no hydrogen 2.936 N/A ARG 176.A N VAL 173.A O no hydrogen 3.325 N/A ARG 176.A NE GLU 149.A OE2 no hydrogen 3.168 N/A ARG 176.A NH2 GLU 149.A OE2 no hydrogen 3.495 N/A VAL 177.A N VAL 173.A O no hydrogen 3.300 N/A LEU 182.A N ILE 158.A O no hydrogen 3.159 N/A TYR 184.A N ILE 160.A O no hydrogen 2.897 N/A TYR 184.A OH ILE 2.A O no hydrogen 2.861 N/A SER 185.A N GLY 201.A O no hydrogen 2.754 N/A SER 185.A OG ASP 187.A O no hydrogen 3.061 N/A SER 185.A OG ASN 202.A OD1 no hydrogen 3.394 N/A GLY 186.A N GLU 162.A O no hydrogen 3.008 N/A ASP 187.A N SER 185.A OG no hydrogen 3.212 N/A THR 190.A N ASP 187.A O no hydrogen 3.215 N/A THR 190.A OG1 ASP 187.A OD2 no hydrogen 2.680 N/A ALA 191.A N ASP 188.A O no hydrogen 3.189 N/A LEU 194.A N THR 190.A O no hydrogen 3.356 N/A MET 195.A N ALA 191.A O no hydrogen 2.909 N/A LEU 196.A N VAL 192.A O no hydrogen 3.035 N/A LEU 197.A N GLU 193.A O no hydrogen 2.747 N/A GLY 198.A N MET 195.A O no hydrogen 2.815 N/A GLY 199.A N LEU 194.A O no hydrogen 2.773 N/A LYS 200.A N VAL 183.A O no hydrogen 2.787 N/A ASN 202.A N GLY 4.A O no hydrogen 2.974 N/A ASN 202.A ND2 ASP 188.A OD1 no hydrogen 3.154 N/A ILE 203.A N SER 185.A O no hydrogen 2.775 N/A SER 204.A N MET 6.A O no hydrogen 3.053 N/A VAL 205.A N ASP 188.A OD2 no hydrogen 3.099 N/A THR 206.A OG1 HIS 240.A ND1 no hydrogen 2.762 N/A ALA 207.A N SER 204.A OG no hydrogen 3.141 N/A ASN 208.A N VAL 205.A O no hydrogen 3.105 N/A ASN 208.A ND2 ALA 8.A O no hydrogen 3.034 N/A ASN 208.A ND2 VAL 205.A O no hydrogen 3.121 N/A VAL 209.A N THR 206.A O no hydrogen 3.270 N/A ALA 210.A N THR 206.A O no hydrogen 3.172 N/A MET 214.A N ALA 210.A O no hydrogen 3.040 N/A SER 215.A N PRO 211.A O no hydrogen 3.188 N/A SER 215.A OG ARG 212.A O no hydrogen 2.968 N/A ASP 216.A N ARG 212.A O no hydrogen 3.262 N/A LEU 217.A N ALA 213.A O no hydrogen 3.069 N/A CYS 218.A N MET 214.A O no hydrogen 3.041 N/A CYS 218.A SG MET 214.A O no hydrogen 3.007 N/A ALA 219.A N SER 215.A O no hydrogen 2.992 N/A ALA 220.A N ASP 216.A O no hydrogen 2.912 N/A ALA 221.A N LEU 217.A O no hydrogen 3.099 N/A MET 222.A N CYS 218.A O no hydrogen 2.805 N/A ARG 223.A N ALA 220.A O no hydrogen 3.022 N/A ASP 225.A N ALA 220.A O no hydrogen 3.011 N/A ALA 226.A N GLY 224.A O no hydrogen 3.005 N/A ALA 229.A N ASP 225.A O no hydrogen 3.079 N/A ARG 230.A NE ASP 234.A OD1 no hydrogen 2.937 N/A ALA 231.A N ALA 227.A O no hydrogen 3.171 N/A ILE 232.A N ALA 228.A O no hydrogen 2.986 N/A ASN 233.A N ALA 229.A O no hydrogen 2.819 N/A ASN 233.A ND2 ALA 189.A O no hydrogen 3.614 N/A ASP 234.A N ARG 230.A O no hydrogen 2.686 N/A ARG 235.A N ILE 232.A O no hydrogen 2.764 N/A LEU 236.A N ILE 232.A O no hydrogen 2.897 N/A MET 237.A N ASN 233.A O no hydrogen 2.668 N/A HIS 240.A N LEU 236.A O no hydrogen 3.039 N/A HIS 240.A ND1 THR 206.A OG1 no hydrogen 2.762 N/A HIS 240.A NE2 ASN 233.A OD1 no hydrogen 3.063 N/A LYS 241.A N MET 237.A O no hydrogen 3.045 N/A ALA 242.A N PRO 238.A O no hydrogen 3.068 N/A LEU 243.A N LEU 239.A O no hydrogen 3.110 N/A PHE 244.A N LYS 241.A O no hydrogen 3.130 N/A ILE 245.A N ALA 242.A O no hydrogen 2.836 N/A ASN 248.A ND2 THR 45.A OG1 no hydrogen 2.813 N/A ILE 250.A N SER 247.A O no hydrogen 3.025 N/A LYS 253.A N PRO 249.A O no hydrogen 3.185 N/A LYS 253.A NZ THR 11.A O no hydrogen 2.855 N/A LYS 253.A NZ GLU 47.A OE2 no hydrogen 2.571 N/A LYS 253.A NZ GLY 265.A O no hydrogen 2.677 N/A ALA 255.A N PRO 251.A O no hydrogen 3.157 N/A LEU 256.A N VAL 252.A O no hydrogen 2.978 N/A HIS 257.A N LYS 253.A O no hydrogen 2.770 N/A GLU 258.A N TRP 254.A O no hydrogen 2.759 N/A MET 259.A N ALA 255.A O no hydrogen 2.842 N/A MET 259.A N LEU 256.A O no hydrogen 3.284 N/A GLY 260.A N HIS 257.A O no hydrogen 2.741 N/A LEU 261.A N LEU 256.A O no hydrogen 3.063 N/A ARG 267.A N GLU 47.A OE1 no hydrogen 3.193 N/A ARG 267.A NH1 THR 50.A O no hydrogen 2.577 N/A ARG 267.A NH1 GLU 55.A OE1 no hydrogen 2.366 N/A ARG 267.A NH2 GLY 17.A O no hydrogen 3.296 N/A ARG 267.A NH2 GLU 55.A OE2 no hydrogen 2.368 N/A SER 274.A N GLU 246.A OE1 no hydrogen 3.292 N/A SER 274.A OG GLU 246.A OE2 no hydrogen 2.537 N/A CYS 277.A N SER 274.A O no hydrogen 3.167 N/A HIS 278.A N PRO 275.A O no hydrogen 3.103 N/A LEU 281.A N CYS 277.A O no hydrogen 3.448 N/A ARG 282.A N HIS 278.A O no hydrogen 3.037 N/A ARG 282.A NH2 GLU 258.A OE2 no hydrogen 3.558 N/A GLN 283.A N ASP 279.A O no hydrogen 3.025 N/A ALA 284.A N PRO 280.A O no hydrogen 3.241 N/A MET 285.A N LEU 281.A O no hydrogen 2.887 N/A ARG 286.A N ARG 282.A O no hydrogen 2.755 N/A ARG 286.A NH2 GLN 283.A OE1 no hydrogen 2.485 N/A GLN 287.A N GLN 283.A O no hydrogen 2.642 N/A THR 288.A N ALA 284.A O no hydrogen 3.035 N/A GLY 289.A N ARG 286.A O no hydrogen 3.133 N/A LEU 291.A N MET 285.A O no hydrogen 3.164 N/A