Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6smo_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE GLU 232.A OE2 no hydrogen 2.815 N/A ARG 3.A NH1 GLU 232.A OE1 no hydrogen 3.255 N/A ARG 3.A NH1 GLU 232.A OE2 no hydrogen 3.406 N/A VAL 5.A N GLU 217.A O no hydrogen 3.040 N/A VAL 6.A N CYS 231.A O no hydrogen 2.879 N/A THR 7.A N VAL 215.A O no hydrogen 3.075 N/A THR 7.A OG1 VAL 215.A O no hydrogen 2.949 N/A THR 7.A OG1 GLU 217.A OE2 no hydrogen 2.702 N/A GLY 10.A N PHE 213.A O no hydrogen 2.993 N/A ILE 12.A N ALA 211.A O no hydrogen 2.899 N/A HIS 13.A N GLY 16.A O no hydrogen 2.552 N/A HIS 13.A NE2 LEU 299.A O no hydrogen 3.141 N/A ASP 15.A N HIS 13.A ND1 no hydrogen 3.319 N/A GLY 16.A N HIS 13.A O no hydrogen 2.885 N/A ASN 17.A ND2 SER 39.A O no hydrogen 3.113 N/A THR 20.A OG1 ASP 18.A OD1 no hydrogen 2.684 N/A ALA 21.A N ASP 18.A OD1 no hydrogen 2.810 N/A ILE 22.A N ASP 18.A O no hydrogen 3.166 N/A LYS 23.A N VAL 19.A O no hydrogen 3.027 N/A LYS 23.A NZ SER 321.A O no hydrogen 3.237 N/A SER 24.A N THR 20.A O no hydrogen 3.179 N/A SER 24.A OG THR 20.A O no hydrogen 3.043 N/A SER 24.A OG ALA 21.A O no hydrogen 2.874 N/A LYS 25.A N ILE 22.A O no hydrogen 3.171 N/A VAL 26.A N ILE 22.A O no hydrogen 3.107 N/A ILE 27.A N LYS 23.A O no hydrogen 3.306 N/A GLN 28.A N SER 24.A O no hydrogen 3.427 N/A LYS 29.A N LYS 25.A O no hydrogen 3.004 N/A LEU 30.A N VAL 26.A O no hydrogen 2.795 N/A LEU 31.A N ILE 27.A O no hydrogen 3.050 N/A SER 33.A OG GLY 205.A O no hydrogen 2.729 N/A ILE 34.A N ASP 206.A OD1 no hydrogen 3.445 N/A ARG 36.A N PHE 207.A O no hydrogen 2.824 N/A ARG 36.A NH1 ASP 15.A OD1 no hydrogen 2.455 N/A ARG 36.A NH2 TYR 298.A O no hydrogen 3.482 N/A ARG 36.A NH2 ASP 300.A OD2 no hydrogen 2.968 N/A LEU 51.A N ASN 48.A OD1 no hydrogen 3.046 N/A ARG 52.A N ASN 48.A O no hydrogen 3.053 N/A ARG 52.A NE GLY 43.A O no hydrogen 3.228 N/A ARG 52.A NH1 GLU 57.A OE1 no hydrogen 3.418 N/A ARG 52.A NH1 GLU 57.A OE2 no hydrogen 3.515 N/A ARG 52.A NH2 GLU 57.A OE2 no hydrogen 2.882 N/A ARG 53.A N ASN 49.A O no hydrogen 3.139 N/A LYS 54.A N LEU 51.A O no hydrogen 3.211 N/A LYS 54.A NZ TYR 117.A OH no hydrogen 2.784 N/A PHE 58.A N ASP 56.A OD2 no hydrogen 3.333 N/A SER 59.A N ASP 56.A O no hydrogen 3.231 N/A VAL 60.A N ASP 56.A O no hydrogen 3.287 N/A TYR 61.A N GLU 57.A O no hydrogen 2.867 N/A TYR 61.A OH HIS 177.A ND1 no hydrogen 3.322 N/A TYR 61.A OH GLU 209.A OE1 no hydrogen 2.815 N/A GLY 62.A N PHE 58.A O no hydrogen 3.198 N/A ILE 63.A N SER 59.A O no hydrogen 3.132 N/A VAL 64.A N VAL 60.A O no hydrogen 3.323 N/A ALA 65.A N TYR 61.A O no hydrogen 3.289 N/A VAL 66.A N GLY 62.A O no hydrogen 3.043 N/A GLU 67.A N ILE 63.A O no hydrogen 2.976 N/A MET 68.A N VAL 64.A O no hydrogen 3.207 N/A ALA 69.A N ALA 65.A O no hydrogen 3.138 N/A LEU 70.A N VAL 66.A O no hydrogen 2.905 N/A LYS 71.A N GLU 67.A O no hydrogen 3.093 N/A ALA 72.A N MET 68.A O no hydrogen 3.160 N/A SER 73.A N ALA 69.A O no hydrogen 3.153 N/A SER 73.A OG LEU 70.A O no hydrogen 2.657 N/A ARG 74.A N LEU 70.A O no hydrogen 3.242 N/A LYS 79.A N ASP 76.A O no hydrogen 3.157 N/A LEU 80.A N ASP 76.A O no hydrogen 3.202 N/A ARG 84.A N ASP 81.A O no hydrogen 3.189 N/A ARG 84.A NE GLU 168.A OE2 no hydrogen 2.614 N/A ARG 84.A NH2 GLY 165.A O no hydrogen 2.970 N/A ARG 84.A NH2 GLU 168.A OE1 no hydrogen 3.434 N/A ARG 84.A NH2 GLU 168.A OE2 no hydrogen 3.184 N/A GLY 86.A N VAL 169.A O no hydrogen 3.313 N/A ILE 87.A N SER 141.A OG no hydrogen 2.888 N/A TYR 88.A N LEU 171.A O no hydrogen 3.052 N/A VAL 89.A N LYS 142.A O no hydrogen 3.046 N/A ASN 91.A N PHE 144.A O no hydrogen 3.041 N/A ASN 91.A ND2 SER 175.A O no hydrogen 2.762 N/A CYS 92.A N GLU 176.A OE1 no hydrogen 2.997 N/A CYS 92.A SG THR 146.A O no hydrogen 3.776 N/A GLY 95.A N TRP 122.A O no hydrogen 2.948 N/A HIS 98.A N ASP 56.A OD1 no hydrogen 2.804 N/A HIS 98.A NE2 ARG 53.A O no hydrogen 2.840 N/A ILE 99.A N TRP 96.A O no hydrogen 3.168 N/A GLU 100.A N TRP 96.A O no hydrogen 2.855 N/A VAL 103.A N ILE 99.A O no hydrogen 2.922 N/A VAL 103.A N GLU 100.A O no hydrogen 3.137 N/A LYS 104.A N GLU 100.A O no hydrogen 3.213 N/A ALA 105.A N ASP 101.A O no hydrogen 2.995 N/A LEU 106.A N GLU 102.A O no hydrogen 3.194 N/A HIS 107.A N LYS 104.A O no hydrogen 3.368 N/A ILE 108.A N ALA 105.A O no hydrogen 3.340 N/A GLU 109.A N ALA 105.A O no hydrogen 2.857 N/A GLY 113.A N GLY 110.A O no hydrogen 3.051 N/A MET 114.A N ILE 111.A O no hydrogen 3.333 N/A GLY 115.A N GLU 102.A OE1 no hydrogen 2.753 N/A ALA 121.A N TYR 117.A O no hydrogen 2.939 N/A ALA 126.A N PHE 123.A O no hydrogen 3.188 N/A GLN 130.A N ALA 126.A O no hydrogen 2.912 N/A LEU 131.A N LEU 127.A O no hydrogen 2.999 N/A SER 132.A N GLN 128.A O no hydrogen 3.150 N/A SER 132.A OG GLN 128.A O no hydrogen 3.442 N/A SER 132.A OG GLY 129.A O no hydrogen 2.630 N/A LEU 133.A N GLY 129.A O no hydrogen 3.240 N/A TYR 135.A N LEU 131.A O no hydrogen 3.135 N/A TYR 135.A OH GLU 67.A OE1 no hydrogen 2.714 N/A SER 138.A N PRO 82.A O no hydrogen 2.768 N/A SER 138.A OG GLY 136.A O no hydrogen 3.126 N/A ALA 139.A N VAL 85.A O no hydrogen 2.960 N/A GLN 140.A NE2 TYR 88.A OH no hydrogen 2.818 N/A SER 141.A OG ALA 139.A O no hydrogen 2.880 N/A LYS 142.A NZ SER 141.A O no hydrogen 2.866 N/A THR 143.A OG1 GLN 128.A OE1 no hydrogen 2.300 N/A PHE 144.A N VAL 89.A O no hydrogen 2.987 N/A SER 145.A OG ASN 91.A O no hydrogen 2.742 N/A THR 146.A OG1 GLN 153.A OE1 no hydrogen 3.113 N/A VAL 149.A N SER 147.A O no hydrogen 2.904 N/A GLN 153.A N VAL 149.A O no hydrogen 3.238 N/A GLN 153.A NE2 ASP 238.A OD1 no hydrogen 3.002 N/A ALA 154.A N ALA 150.A O no hydrogen 3.126 N/A ILE 155.A N GLY 151.A O no hydrogen 3.272 N/A TYR 157.A N GLN 153.A O no hydrogen 2.960 N/A TYR 157.A OH ASP 238.A OD2 no hydrogen 2.637 N/A ALA 158.A N ALA 154.A O no hydrogen 3.224 N/A ALA 159.A N ILE 155.A O no hydrogen 3.105 N/A GLU 160.A N GLY 156.A O no hydrogen 3.212 N/A ALA 161.A N TYR 157.A O no hydrogen 3.117 N/A ILE 162.A N ALA 158.A O no hydrogen 3.285 N/A SER 163.A N ALA 159.A O no hydrogen 2.778 N/A SER 163.A OG LYS 2.A O no hydrogen 3.567 N/A SER 163.A OG ALA 159.A O no hydrogen 2.716 N/A ASN 164.A N GLU 160.A O no hydrogen 2.873 N/A ASN 164.A ND2 GLU 160.A OE2 no hydrogen 2.935 N/A GLY 165.A N ILE 162.A O no hydrogen 3.257 N/A VAL 166.A N ALA 161.A O no hydrogen 2.706 N/A GLU 168.A N ARG 84.A O no hydrogen 3.016 N/A VAL 169.A N ARG 84.A O no hydrogen 3.278 N/A MET 170.A N LEU 216.A O no hydrogen 2.732 N/A LEU 171.A N GLY 86.A O no hydrogen 3.034 N/A CYS 172.A N LEU 214.A O no hydrogen 3.218 N/A CYS 172.A SG LEU 214.A O no hydrogen 3.724 N/A GLY 173.A N TYR 88.A O no hydrogen 3.013 N/A ALA 174.A N ALA 212.A O no hydrogen 2.941 N/A SER 175.A N GLY 90.A O no hydrogen 3.237 N/A SER 175.A OG PHE 58.A O no hydrogen 2.620 N/A SER 175.A OG GLY 210.A O no hydrogen 3.336 N/A GLU 176.A N GLY 210.A O no hydrogen 2.926 N/A LEU 178.A N GLU 209.A OE2 no hydrogen 3.315 N/A SER 179.A OG GLU 209.A OE2 no hydrogen 2.686 N/A LEU 182.A N GLU 100.A OE1 no hydrogen 2.735 N/A LYS 184.A N SER 180.A O no hydrogen 2.915 N/A ASN 185.A N PRO 181.A O no hydrogen 3.168 N/A ASN 185.A ND2 PRO 181.A O no hydrogen 2.756 N/A LEU 186.A N LEU 182.A O no hydrogen 3.304 N/A LEU 187.A N VAL 183.A O no hydrogen 3.020 N/A GLU 188.A N LYS 184.A O no hydrogen 3.168 N/A LYS 189.A N LEU 186.A O no hydrogen 3.403 N/A THR 190.A N LEU 186.A O no hydrogen 3.026 N/A THR 190.A OG1 LEU 186.A O no hydrogen 2.642 N/A GLN 193.A NE2 LYS 189.A O no hydrogen 3.169 N/A LYS 194.A N THR 190.A O no hydrogen 3.378 N/A SER 196.A N GLY 200.A O no hydrogen 2.861 N/A SER 196.A OG ASN 335.A O no hydrogen 2.626 N/A PHE 199.A N SER 196.A OG no hydrogen 3.307 N/A LYS 202.A NZ TYR 272.A OH no hydrogen 3.324 N/A GLN 203.A N ILE 271.A O no hydrogen 2.710 N/A GLN 203.A NE2 TYR 272.A O no hydrogen 3.412 N/A PHE 207.A N ILE 34.A O no hydrogen 2.954 N/A SER 208.A N ASN 301.A O no hydrogen 3.368 N/A SER 208.A OG ASP 300.A OD2 no hydrogen 2.537 N/A GLU 209.A N ARG 36.A O no hydrogen 3.395 N/A GLY 210.A N GLU 176.A O no hydrogen 3.104 N/A ALA 211.A N ILE 12.A O no hydrogen 3.474 N/A ALA 212.A N ALA 174.A O no hydrogen 3.099 N/A PHE 213.A N GLY 10.A O no hydrogen 2.777 N/A LEU 214.A N CYS 172.A O no hydrogen 2.782 N/A VAL 215.A N GLY 8.A O no hydrogen 2.690 N/A LEU 216.A N MET 170.A O no hydrogen 3.038 N/A GLU 217.A N VAL 5.A O no hydrogen 3.052 N/A GLU 218.A N GLU 168.A O no hydrogen 2.866 N/A ARG 219.A N ARG 3.A O no hydrogen 2.893 N/A GLN 220.A N GLU 218.A OE1 no hydrogen 3.061 N/A HIS 221.A N GLU 218.A OE2 no hydrogen 3.287 N/A HIS 221.A ND1 GLU 217.A OE1 no hydrogen 3.045 N/A ALA 222.A N GLU 218.A O no hydrogen 3.048 N/A LEU 223.A N ARG 219.A O no hydrogen 2.998 N/A GLU 224.A N GLN 220.A O no hydrogen 2.915 N/A ARG 225.A NE GLU 217.A OE1 no hydrogen 3.342 N/A ARG 225.A NH1 SER 73.A O no hydrogen 2.945 N/A ARG 225.A NH2 SER 73.A O no hydrogen 3.002 N/A ARG 225.A NH2 GLU 217.A OE2 no hydrogen 2.776 N/A GLY 226.A N LEU 223.A O no hydrogen 3.342 N/A ALA 227.A N ALA 222.A O no hydrogen 3.071 N/A LEU 230.A N VAL 6.A O no hydrogen 2.898 N/A CYS 231.A SG SER 315.A OG no hydrogen 3.365 N/A GLU 232.A N SER 345.A O no hydrogen 2.785 N/A LEU 233.A N VAL 4.A O no hydrogen 3.055 N/A THR 234.A N SER 343.A O no hydrogen 2.915 N/A THR 234.A OG1 SER 343.A O no hydrogen 3.133 N/A THR 234.A OG1 SER 343.A OG no hydrogen 2.724 N/A THR 234.A OG1 SER 345.A OG no hydrogen 3.203 N/A VAL 237.A N ALA 341.A O no hydrogen 2.768 N/A TYR 239.A N VAL 339.A O no hydrogen 2.821 N/A ALA 241.A N GLY 337.A O no hydrogen 2.642 N/A THR 246.A OG1 ASP 243.A O no hydrogen 3.095 N/A THR 246.A OG1 ASP 243.A OD1 no hydrogen 2.778 N/A ARG 247.A N ASP 243.A O no hydrogen 3.326 N/A ARG 247.A NE ASN 248.A OD1 no hydrogen 3.075 N/A ARG 247.A NH1 ASN 248.A OD1 no hydrogen 3.370 N/A ARG 247.A NH2 VAL 198.A O no hydrogen 2.686 N/A THR 250.A N THR 246.A O no hydrogen 2.895 N/A THR 250.A N ARG 247.A O no hydrogen 3.246 N/A THR 250.A OG1 THR 246.A O no hydrogen 2.586 N/A LEU 251.A N ARG 247.A O no hydrogen 3.366 N/A TYR 253.A N THR 250.A O no hydrogen 3.173 N/A THR 254.A N LEU 251.A O no hydrogen 3.150 N/A THR 254.A OG1 GLN 331.A OE1 no hydrogen 3.162 N/A ALA 255.A N LEU 251.A O no hydrogen 3.354 N/A LEU 257.A N THR 254.A O no hydrogen 3.357 N/A PHE 258.A N ALA 255.A O no hydrogen 3.436 N/A ASN 259.A N GLU 256.A O no hydrogen 3.431 N/A ASN 261.A N PHE 258.A O no hydrogen 3.232 N/A ASN 261.A ND2 ASN 326.A OD1 no hydrogen 2.883 N/A ASN 261.A ND2 GLN 327.A OE1 no hydrogen 3.584 N/A ASN 263.A N ASN 261.A OD1 no hydrogen 3.273 N/A VAL 265.A N GLN 327.A O no hydrogen 3.299 N/A PHE 266.A N SER 291.A O no hydrogen 2.874 N/A ILE 267.A N ILE 329.A O no hydrogen 3.040 N/A ASP 269.A N GLU 275.A OE2 no hydrogen 2.889 N/A GLY 270.A N GLU 275.A OE1 no hydrogen 2.795 N/A TYR 272.A OH ASN 335.A OD1 no hydrogen 3.156 N/A ASP 273.A N GLU 201.A O no hydrogen 3.154 N/A GLU 277.A N ASP 274.A O no hydrogen 3.193 N/A ILE 278.A N ASP 274.A O no hydrogen 3.249 N/A THR 279.A N GLU 275.A O no hydrogen 2.957 N/A THR 279.A OG1 GLU 275.A O no hydrogen 2.664 N/A SER 280.A N LYS 276.A O no hydrogen 3.362 N/A SER 280.A OG LYS 276.A O no hydrogen 2.608 N/A LYS 281.A N GLU 277.A O no hydrogen 3.232 N/A ALA 282.A N ILE 278.A O no hydrogen 3.264 N/A PHE 283.A N THR 279.A O no hydrogen 3.149 N/A SER 284.A N SER 280.A O no hydrogen 2.944 N/A ASN 285.A N LYS 281.A O no hydrogen 3.159 N/A LYS 286.A NZ GLU 252.A O no hydrogen 3.115 N/A ILE 288.A N PHE 283.A O no hydrogen 2.802 N/A THR 290.A OG1 ALA 264.A O no hydrogen 2.675 N/A THR 290.A OG1 SER 291.A O no hydrogen 3.507 N/A ILE 293.A N PHE 266.A O no hydrogen 3.193 N/A ARG 296.A N ASN 294.A OD1 no hydrogen 3.064 N/A ARG 296.A NE ASP 269.A O no hydrogen 2.693 N/A ARG 296.A NH1 ASP 310.A OD2 no hydrogen 3.345 N/A TYR 298.A N LEU 295.A O no hydrogen 3.312 N/A LEU 299.A N LEU 295.A O no hydrogen 2.875 N/A ASP 300.A N ARG 296.A O no hydrogen 2.758 N/A ASN 301.A N ASP 206.A O no hydrogen 3.254 N/A GLN 302.A N SER 306.A OG no hydrogen 2.764 N/A PHE 303.A N ASN 301.A OD1 no hydrogen 3.341 N/A SER 304.A OG GLY 90.A O no hydrogen 2.864 N/A SER 304.A OG GLU 176.A OE1 no hydrogen 2.847 N/A VAL 305.A N GLN 302.A O no hydrogen 3.350 N/A GLY 307.A N ASP 310.A OD1 no hydrogen 3.381 N/A VAL 308.A N VAL 305.A O no hydrogen 3.051 N/A ILE 309.A N VAL 305.A O no hydrogen 2.975 N/A SER 311.A N GLY 307.A O no hydrogen 3.272 N/A SER 311.A OG GLY 307.A O no hydrogen 2.949 N/A VAL 312.A N VAL 308.A O no hydrogen 2.930 N/A LEU 313.A N ILE 309.A O no hydrogen 3.011 N/A ALA 314.A N ASP 310.A O no hydrogen 2.802 N/A SER 315.A N SER 311.A O no hydrogen 3.045 N/A SER 315.A OG SER 311.A O no hydrogen 2.744 N/A SER 316.A N VAL 312.A O no hydrogen 3.316 N/A SER 316.A OG VAL 312.A O no hydrogen 3.207 N/A PHE 317.A N LEU 313.A O no hydrogen 2.935 N/A LEU 318.A N ALA 314.A O no hydrogen 3.147 N/A SER 319.A OG SER 315.A O no hydrogen 3.463 N/A SER 319.A OG SER 316.A O no hydrogen 2.677 N/A THR 325.A OG1 PHE 322.A O no hydrogen 2.679 N/A ASN 326.A N ASN 263.A O no hydrogen 3.429 N/A GLN 327.A NE2 LEU 257.A O no hydrogen 3.315 N/A GLN 327.A NE2 SER 343.A OG no hydrogen 2.955 N/A ILE 328.A N PHE 344.A O no hydrogen 2.804 N/A ILE 329.A N VAL 265.A O no hydrogen 3.217 N/A ILE 330.A N LEU 342.A O no hydrogen 2.943 N/A GLN 331.A N ILE 267.A O no hydrogen 2.995 N/A GLN 331.A NE2 GLU 275.A OE2 no hydrogen 3.359 N/A ARG 332.A N CYS 340.A O no hydrogen 2.863 N/A ARG 332.A NE ASP 269.A OD1 no hydrogen 2.626 N/A ARG 332.A NH1 ASP 269.A OD1 no hydrogen 3.204 N/A SER 334.A OG HIS 338.A ND1 no hydrogen 2.834 N/A ASN 335.A N ASP 148.A OD2 no hydrogen 3.325 N/A GLY 337.A N SER 334.A OG no hydrogen 3.255 N/A HIS 338.A N SER 334.A OG no hydrogen 3.013 N/A HIS 338.A ND1 SER 334.A OG no hydrogen 2.834 N/A VAL 339.A N TYR 239.A O no hydrogen 2.720 N/A CYS 340.A N ARG 332.A O no hydrogen 2.953 N/A CYS 340.A SG ASP 238.A OD1 no hydrogen 3.249 N/A ALA 341.A N VAL 237.A O no hydrogen 2.989 N/A LEU 342.A N ILE 330.A O no hydrogen 2.938 N/A SER 343.A N GLY 235.A O no hydrogen 2.910 N/A SER 343.A OG THR 234.A OG1 no hydrogen 2.724 N/A PHE 344.A N ILE 328.A O no hydrogen 2.966 N/A SER 345.A N GLU 232.A O no hydrogen 2.787 N/A SER 345.A OG THR 234.A OG1 no hydrogen 3.203 N/A ALA 346.A N ASN 326.A O no hydrogen 2.844 N/A