Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p9k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N THR 1.A O no hydrogen 2.413 N/A ALA 6.A N ALA 2.A O no hydrogen 3.264 N/A ALA 7.A N ALA 3.A O no hydrogen 3.041 N/A ALA 9.A N MET 5.A O no hydrogen 2.918 N/A ASP 10.A N ALA 6.A O no hydrogen 3.184 N/A GLU 11.A N ALA 7.A O no hydrogen 3.085 N/A ASP 12.A N SER 8.A O no hydrogen 2.915 N/A ALA 13.A N ALA 9.A O no hydrogen 2.935 N/A CYS 14.A N ASP 10.A O no hydrogen 2.850 N/A MET 15.A N GLU 11.A O no hydrogen 3.065 N/A PHE 16.A N ASP 12.A O no hydrogen 3.181 N/A ALA 17.A N ALA 13.A O no hydrogen 3.019 N/A LEU 18.A N CYS 14.A O no hydrogen 2.936 N/A GLN 19.A N MET 15.A O no hydrogen 2.761 N/A LEU 20.A N PHE 16.A O no hydrogen 2.881 N/A ALA 21.A N ALA 17.A O no hydrogen 2.866 N/A SER 22.A N GLN 19.A O no hydrogen 3.387 N/A SER 22.A OG LEU 18.A O no hydrogen 3.305 N/A SER 23.A N LEU 20.A O no hydrogen 3.245 N/A SER 23.A OG LEU 20.A O no hydrogen 2.850 N/A VAL 25.A N SER 22.A O no hydrogen 3.370 N/A MET 28.A N SER 24.A O no hydrogen 3.132 N/A THR 29.A N VAL 25.A O no hydrogen 2.856 N/A THR 29.A OG1 VAL 25.A O no hydrogen 2.761 N/A LEU 30.A N LEU 26.A O no hydrogen 2.874 N/A LYS 31.A N PRO 27.A O no hydrogen 2.966 N/A LYS 31.A NZ GLN 126.A O no hydrogen 2.686 N/A ASN 32.A N MET 28.A O no hydrogen 3.162 N/A ASN 32.A ND2 MET 28.A O no hydrogen 2.903 N/A ALA 33.A N THR 29.A O no hydrogen 2.872 N/A ILE 34.A N LEU 30.A O no hydrogen 2.886 N/A GLU 35.A N LYS 31.A O no hydrogen 2.888 N/A LEU 36.A N ASN 32.A O no hydrogen 2.860 N/A GLY 37.A N ILE 34.A O no hydrogen 2.862 N/A LEU 38.A N ALA 33.A O no hydrogen 2.939 N/A ILE 41.A N GLY 37.A O no hydrogen 3.054 N/A LEU 42.A N LEU 38.A O no hydrogen 3.095 N/A VAL 43.A N LEU 39.A O no hydrogen 2.794 N/A ALA 44.A N GLU 40.A O no hydrogen 2.889 N/A ALA 45.A N LEU 42.A O no hydrogen 3.175 N/A GLY 46.A N VAL 43.A O no hydrogen 3.209 N/A LEU 50.A N TYR 100.A O no hydrogen 2.787 N/A THR 51.A N GLU 54.A OE1 no hydrogen 2.887 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.171 N/A VAL 55.A N THR 51.A O no hydrogen 2.918 N/A ALA 56.A N PRO 52.A O no hydrogen 2.732 N/A ALA 57.A N THR 53.A O no hydrogen 2.965 N/A LYS 58.A N VAL 55.A O no hydrogen 3.097 N/A LEU 59.A N ALA 56.A O no hydrogen 2.947 N/A SER 61.A OG ALA 56.A O no hydrogen 3.295 N/A ASN 64.A N SER 61.A O no hydrogen 3.218 N/A GLU 66.A N ASN 64.A OD1 no hydrogen 3.102 N/A ALA 67.A N ASN 64.A O no hydrogen 3.055 N/A MET 70.A N GLU 66.A O no hydrogen 2.944 N/A VAL 71.A N ALA 67.A O no hydrogen 2.818 N/A ASP 72.A N PRO 68.A O no hydrogen 2.925 N/A ARG 73.A N ASP 69.A O no hydrogen 3.080 N/A ILE 74.A N MET 70.A O no hydrogen 3.078 N/A LEU 75.A N VAL 71.A O no hydrogen 2.955 N/A ARG 76.A N ASP 72.A O no hydrogen 2.793 N/A LEU 77.A N ARG 73.A O no hydrogen 3.324 N/A LEU 78.A N ILE 74.A O no hydrogen 3.099 N/A ALA 79.A N LEU 75.A O no hydrogen 2.815 N/A SER 80.A N ARG 76.A O no hydrogen 3.232 N/A SER 80.A N LEU 77.A O no hydrogen 3.186 N/A SER 80.A OG LEU 77.A O no hydrogen 2.604 N/A TYR 81.A N LEU 78.A O no hydrogen 3.079 N/A ASN 82.A N ALA 79.A O no hydrogen 2.992 N/A ASN 82.A ND2 ALA 79.A O no hydrogen 3.593 N/A VAL 83.A N LEU 78.A O no hydrogen 2.935 N/A THR 85.A N GLY 101.A O no hydrogen 2.661 N/A CYS 86.A SG SER 99.A O no hydrogen 3.947 N/A LEU 87.A N SER 99.A O no hydrogen 3.022 N/A GLU 89.A N SER 97.A O no hydrogen 3.022 N/A GLY 91.A N ARG 95.A O no hydrogen 2.947 N/A ARG 95.A N ASP 93.A OD2 no hydrogen 3.115 N/A SER 97.A N GLU 89.A O no hydrogen 2.798 N/A ARG 98.A NE ASP 72.A OD1 no hydrogen 3.104 N/A ARG 98.A NH2 ASP 72.A OD2 no hydrogen 2.749 N/A SER 99.A N LEU 87.A O no hydrogen 3.087 N/A TYR 100.A N LEU 50.A O no hydrogen 2.612 N/A TYR 100.A OH ASP 72.A OD1 no hydrogen 2.524 N/A GLY 101.A N THR 85.A O no hydrogen 2.966 N/A CYS 106.A N ALA 103.A O no hydrogen 3.105 N/A CYS 106.A SG VAL 83.A O no hydrogen 3.189 N/A LYS 107.A N PRO 104.A O no hydrogen 3.326 N/A PHE 108.A N VAL 105.A O no hydrogen 2.918 N/A LEU 109.A N CYS 106.A O no hydrogen 2.734 N/A THR 110.A OG1 CYS 106.A O no hydrogen 3.068 N/A ASN 112.A N VAL 116.A O no hydrogen 3.031 N/A GLU 113.A N GLU 113.A OE1 no hydrogen 2.551 N/A GLY 115.A N ASN 112.A O no hydrogen 2.608 N/A VAL 116.A N ASN 112.A OD1 no hydrogen 2.769 N/A SER 117.A N ASN 176.A OD1 no hydrogen 3.192 N/A MET 118.A N PHE 108.A O no hydrogen 2.887 N/A ALA 119.A N SER 117.A OG no hydrogen 3.187 N/A LEU 121.A N MET 118.A O no hydrogen 2.992 N/A ALA 122.A N MET 118.A O no hydrogen 3.353 N/A LEU 123.A N ALA 119.A O no hydrogen 3.002 N/A MET 124.A N ALA 120.A O no hydrogen 3.122 N/A ASN 125.A N LEU 121.A O no hydrogen 2.863 N/A GLN 126.A N ALA 122.A O no hydrogen 3.172 N/A GLN 126.A NE2 ALA 122.A O no hydrogen 2.683 N/A ASP 127.A N MET 124.A O no hydrogen 3.180 N/A VAL 129.A N ASP 127.A OD2 no hydrogen 2.947 N/A MET 131.A N ASP 127.A O no hydrogen 3.005 N/A SER 133.A N LEU 130.A O no hydrogen 3.244 N/A SER 133.A OG HIS 317.A ND1 no hydrogen 2.817 N/A TYR 135.A N GLU 132.A O no hydrogen 3.108 N/A TYR 136.A N SER 133.A O no hydrogen 2.790 N/A LEU 137.A N TRP 134.A O no hydrogen 3.434 N/A LYS 138.A NZ ASP 139.A OD1 no hydrogen 3.464 N/A ALA 140.A N TYR 136.A O no hydrogen 3.118 N/A VAL 141.A N LEU 137.A O no hydrogen 3.056 N/A LEU 142.A N LYS 138.A O no hydrogen 3.222 N/A ASP 143.A N ASP 139.A O no hydrogen 2.794 N/A GLY 144.A N ALA 140.A O no hydrogen 2.630 N/A PHE 148.A N ALA 316.A O no hydrogen 3.010 N/A LYS 150.A N ILE 146.A O no hydrogen 3.005 N/A LYS 150.A NZ GLY 144.A O no hydrogen 3.133 N/A ALA 151.A N PRO 147.A O no hydrogen 3.182 N/A TYR 152.A N PHE 148.A O no hydrogen 3.018 N/A TYR 152.A OH VAL 129.A O no hydrogen 2.529 N/A GLY 153.A N ASN 149.A O no hydrogen 2.592 N/A SER 155.A N GLU 158.A OE1 no hydrogen 3.000 N/A GLU 158.A N SER 155.A OG no hydrogen 3.081 N/A TYR 159.A N SER 155.A O no hydrogen 2.937 N/A TYR 159.A OH ASP 163.A OD2 no hydrogen 2.878 N/A HIS 160.A N ALA 156.A O no hydrogen 3.035 N/A THR 162.A N TYR 159.A O no hydrogen 2.738 N/A THR 162.A OG1 TYR 159.A O no hydrogen 2.925 N/A ASP 163.A N HIS 160.A O no hydrogen 3.425 N/A ARG 165.A NH1 ASP 127.A OD1 no hydrogen 2.813 N/A ARG 165.A NH2 ASP 127.A OD2 no hydrogen 3.078 N/A PHE 166.A N ASP 163.A OD1 no hydrogen 2.750 N/A ASN 167.A N ASP 163.A O no hydrogen 2.796 N/A ASN 167.A ND2 GLU 232.A OE1 no hydrogen 2.749 N/A ARG 168.A N PRO 164.A O no hydrogen 3.100 N/A VAL 169.A N ARG 165.A O no hydrogen 3.237 N/A PHE 170.A N PHE 166.A O no hydrogen 2.762 N/A ASN 171.A N ASN 167.A O no hydrogen 2.980 N/A GLU 172.A N ARG 168.A O no hydrogen 2.659 N/A GLY 173.A N VAL 169.A O no hydrogen 3.007 N/A MET 174.A N PHE 170.A O no hydrogen 3.103 N/A LYS 175.A N ASN 171.A O no hydrogen 2.820 N/A LYS 175.A NZ GLU 172.A OE2 no hydrogen 2.987 N/A ASN 176.A N GLU 172.A O no hydrogen 2.914 N/A ASN 176.A ND2 GLU 172.A O no hydrogen 2.883 N/A HIS 177.A N GLY 173.A O no hydrogen 3.351 N/A SER 178.A N MET 174.A O no hydrogen 2.901 N/A SER 178.A OG MET 174.A O no hydrogen 3.104 N/A SER 178.A OG THR 208.A OG1 no hydrogen 3.386 N/A ILE 179.A N LYS 175.A O no hydrogen 2.909 N/A ILE 180.A N ASN 176.A O no hydrogen 3.273 N/A ILE 181.A N HIS 177.A O no hydrogen 2.987 N/A THR 182.A N SER 178.A O no hydrogen 2.785 N/A THR 182.A OG1 SER 178.A O no hydrogen 2.729 N/A LYS 184.A NZ GLU 187.A OE1 no hydrogen 3.507 N/A LEU 185.A N ILE 181.A O no hydrogen 2.751 N/A LEU 186.A N THR 182.A O no hydrogen 2.917 N/A GLU 187.A N LYS 184.A O no hydrogen 3.139 N/A LEU 188.A N LYS 184.A O no hydrogen 3.109 N/A TYR 189.A N LEU 185.A O no hydrogen 2.811 N/A TYR 189.A OH GLU 354.A OE1 no hydrogen 2.368 N/A GLU 193.A N HIS 190.A O no hydrogen 3.057 N/A THR 197.A N ASP 254.A OD2 no hydrogen 2.810 N/A LEU 198.A N LYS 220.A O no hydrogen 2.900 N/A VAL 199.A N THR 255.A O no hydrogen 2.927 N/A ASP 200.A N VAL 222.A O no hydrogen 2.934 N/A VAL 201.A N LEU 257.A O no hydrogen 2.820 N/A GLY 202.A N PHE 224.A O no hydrogen 2.578 N/A GLY 203.A N PHE 224.A O no hydrogen 3.006 N/A GLY 204.A N ASP 225.A OD2 no hydrogen 2.763 N/A GLY 206.A N GLY 203.A O no hydrogen 2.968 N/A ALA 210.A N GLY 206.A O no hydrogen 3.124 N/A ALA 211.A N ALA 207.A O no hydrogen 3.107 N/A ILE 212.A N THR 208.A O no hydrogen 3.105 N/A ALA 213.A N VAL 209.A O no hydrogen 2.907 N/A ALA 214.A N ALA 210.A O no hydrogen 2.835 N/A HIS 215.A N ALA 211.A O no hydrogen 3.090 N/A HIS 215.A N ILE 212.A O no hydrogen 3.151 N/A TYR 216.A N ILE 212.A O no hydrogen 2.908 N/A ILE 219.A N TYR 216.A O no hydrogen 2.908 N/A LYS 220.A N GLY 196.A O no hydrogen 2.469 N/A LYS 220.A NZ THR 218.A O no hydrogen 3.438 N/A GLY 221.A N GLY 238.A O no hydrogen 3.081 N/A VAL 222.A N LEU 198.A O no hydrogen 2.830 N/A ASN 223.A N THR 240.A O no hydrogen 2.825 N/A ASN 223.A ND2 GLY 204.A O no hydrogen 2.866 N/A ASN 223.A ND2 HIS 241.A ND1 no hydrogen 3.024 N/A PHE 224.A N ASP 200.A O no hydrogen 2.972 N/A ASP 225.A N VAL 242.A O no hydrogen 3.199 N/A LEU 226.A N ASP 225.A OD1 no hydrogen 2.452 N/A HIS 228.A ND1 GLU 232.A OE2 no hydrogen 3.246 N/A VAL 229.A N LEU 226.A O no hydrogen 2.914 N/A ILE 230.A N LEU 226.A O no hydrogen 2.969 N/A SER 231.A N PRO 227.A O no hydrogen 2.900 N/A SER 231.A OG PRO 227.A O no hydrogen 3.080 N/A GLU 232.A N VAL 229.A O no hydrogen 3.289 N/A ALA 233.A N ILE 230.A O no hydrogen 3.063 N/A VAL 239.A N PHE 236.A O no hydrogen 3.338 N/A THR 240.A N GLY 221.A O no hydrogen 2.993 N/A HIS 241.A NE2 PRO 234.A O no hydrogen 2.953 N/A VAL 242.A N ASN 223.A O no hydrogen 2.747 N/A GLY 244.A N ASP 225.A O no hydrogen 2.940 N/A PHE 247.A N ASP 245.A OD1 no hydrogen 3.083 N/A LYS 248.A N ASP 245.A O no hydrogen 3.001 N/A LYS 248.A NZ ASP 245.A OD2 no hydrogen 2.852 N/A GLU 249.A N ASP 245.A O no hydrogen 3.189 N/A SER 252.A OG ALA 280.A O no hydrogen 3.258 N/A GLY 253.A N ALA 280.A O no hydrogen 3.295 N/A ASP 254.A N THR 197.A O no hydrogen 3.016 N/A THR 255.A N THR 197.A O no hydrogen 3.311 N/A ILE 256.A N LYS 286.A O no hydrogen 2.954 N/A LEU 257.A N VAL 199.A O no hydrogen 2.677 N/A MET 258.A N VAL 288.A O no hydrogen 2.941 N/A LYS 259.A NZ HIS 177.A ND1 no hydrogen 2.781 N/A LYS 259.A NZ SER 178.A OG no hydrogen 3.212 N/A TRP 260.A N VAL 290.A O no hydrogen 3.010 N/A HIS 263.A N GLN 291.A OE1 no hydrogen 2.994 N/A HIS 263.A ND1 GLU 323.A OE2 no hydrogen 2.814 N/A ASP 264.A N ILE 261.A O no hydrogen 2.919 N/A TRP 265.A N LEU 262.A O no hydrogen 2.963 N/A SER 266.A N PRO 319.A O no hydrogen 3.183 N/A SER 266.A OG HIS 269.A ND1 no hydrogen 2.908 N/A HIS 269.A N SER 266.A OG no hydrogen 3.346 N/A HIS 269.A ND1 SER 266.A OG no hydrogen 2.908 N/A CYS 270.A N SER 266.A O no hydrogen 3.026 N/A CYS 270.A SG LEU 262.A O no hydrogen 3.481 N/A CYS 270.A SG TRP 265.A O no hydrogen 3.646 N/A CYS 270.A SG SER 266.A O no hydrogen 3.219 N/A ALA 271.A N ASP 267.A O no hydrogen 2.831 N/A THR 272.A N GLN 268.A O no hydrogen 2.999 N/A THR 272.A OG1 GLN 268.A O no hydrogen 3.247 N/A LEU 273.A N HIS 269.A O no hydrogen 2.775 N/A LEU 274.A N CYS 270.A O no hydrogen 2.642 N/A LYS 275.A N ALA 271.A O no hydrogen 3.106 N/A LYS 275.A NZ ASP 279.A OD2 no hydrogen 3.044 N/A ASN 276.A N THR 272.A O no hydrogen 3.151 N/A ASN 276.A ND2 MET 246.A O no hydrogen 3.067 N/A ASN 276.A ND2 PHE 247.A O no hydrogen 2.878 N/A CYS 277.A N LEU 273.A O no hydrogen 2.969 N/A CYS 277.A SG LEU 273.A O no hydrogen 3.524 N/A TYR 278.A N LEU 274.A O no hydrogen 2.973 N/A ASP 279.A N LYS 275.A O no hydrogen 3.020 N/A ALA 280.A N ASN 276.A O no hydrogen 3.117 N/A LEU 281.A N TYR 278.A O no hydrogen 3.368 N/A GLY 285.A N PRO 282.A O no hydrogen 2.995 N/A LYS 286.A NZ GLY 191.A O no hydrogen 3.133 N/A LYS 286.A NZ GLU 354.A OE1 no hydrogen 3.117 N/A VAL 287.A N PHE 355.A O no hydrogen 3.001 N/A VAL 288.A N ILE 256.A O no hydrogen 2.750 N/A LEU 289.A N ILE 353.A O no hydrogen 2.662 N/A VAL 290.A N MET 258.A O no hydrogen 3.150 N/A GLN 291.A N TRP 351.A O no hydrogen 2.978 N/A CYS 292.A SG ASN 349.A O no hydrogen 3.792 N/A LEU 294.A N ARG 324.A O no hydrogen 2.910 N/A ASN 301.A N SER 304.A OG no hydrogen 3.404 N/A SER 303.A OG ASN 349.A OD1 no hydrogen 2.843 N/A SER 304.A N ASN 301.A OD1 no hydrogen 2.864 N/A SER 304.A OG GLU 299.A O no hydrogen 2.971 N/A SER 304.A OG ASN 301.A O no hydrogen 3.244 N/A GLN 305.A N ASN 301.A O no hydrogen 2.991 N/A GLY 306.A N PRO 302.A O no hydrogen 3.054 N/A VAL 307.A N SER 303.A O no hydrogen 3.267 N/A PHE 308.A N SER 304.A O no hydrogen 3.022 N/A HIS 309.A N GLN 305.A O no hydrogen 2.881 N/A VAL 310.A N GLY 306.A O no hydrogen 3.424 N/A ASP 311.A N VAL 307.A O no hydrogen 3.203 N/A MET 312.A N PHE 308.A O no hydrogen 2.985 N/A ILE 313.A N HIS 309.A O no hydrogen 2.855 N/A MET 314.A N VAL 310.A O no hydrogen 2.831 N/A LEU 315.A N ASP 311.A O no hydrogen 2.932 N/A ALA 316.A N MET 312.A O no hydrogen 2.831 N/A HIS 317.A N ILE 313.A O no hydrogen 3.132 N/A HIS 317.A ND1 SER 133.A OG no hydrogen 2.817 N/A ASN 318.A N MET 314.A O no hydrogen 3.038 N/A GLY 320.A N ASN 318.A O no hydrogen 2.831 N/A GLU 323.A N ASP 311.A OD1 no hydrogen 2.973 N/A ARG 324.A NE ASP 267.A OD1 no hydrogen 3.185 N/A ARG 324.A NH1 LEU 262.A O no hydrogen 3.158 N/A ARG 324.A NH2 TRP 265.A O no hydrogen 2.904 N/A ARG 324.A NH2 ASP 267.A OD1 no hydrogen 2.911 N/A TYR 325.A N GLU 328.A OE1 no hydrogen 2.927 N/A GLU 328.A N TYR 325.A O no hydrogen 2.827 N/A PHE 329.A N TYR 325.A O no hydrogen 3.439 N/A PHE 329.A N GLU 326.A O no hydrogen 3.072 N/A GLN 330.A N GLU 326.A O no hydrogen 3.173 N/A ALA 331.A N ARG 327.A O no hydrogen 3.231 N/A LEU 332.A N GLU 328.A O no hydrogen 3.125 N/A ALA 333.A N PHE 329.A O no hydrogen 2.974 N/A ARG 334.A N GLN 330.A O no hydrogen 2.847 N/A GLY 335.A N ALA 331.A O no hydrogen 2.906 N/A ALA 336.A N LEU 332.A O no hydrogen 3.209 N/A ALA 336.A N ALA 333.A O no hydrogen 3.019 N/A GLY 337.A N ALA 333.A O no hydrogen 3.136 N/A GLY 337.A N ARG 334.A O no hydrogen 3.004 N/A PHE 338.A N ALA 333.A O no hydrogen 3.008 N/A THR 339.A N THR 356.A O no hydrogen 2.752 N/A THR 339.A OG1 LYS 357.A O no hydrogen 3.050 N/A THR 339.A OG1 LYS 357.A OXT no hydrogen 3.109 N/A GLY 340.A N THR 356.A O no hydrogen 2.986 N/A LYS 342.A N GLU 354.A O no hydrogen 3.146 N/A SER 343.A OG GLU 326.A OE2 no hydrogen 3.123 N/A THR 344.A N ALA 352.A O no hydrogen 2.791 N/A ILE 346.A N ALA 350.A O no hydrogen 2.773 N/A TYR 347.A N ALA 350.A O no hydrogen 3.356 N/A ASN 349.A N TYR 345.A OH no hydrogen 2.896 N/A ASN 349.A ND2 SER 303.A O no hydrogen 3.168 N/A ALA 350.A N TYR 347.A O no hydrogen 2.742 N/A TRP 351.A N GLN 291.A O no hydrogen 2.754 N/A ALA 352.A N THR 344.A O no hydrogen 2.787 N/A ILE 353.A N LEU 289.A O no hydrogen 2.729 N/A GLU 354.A N LYS 342.A O no hydrogen 2.834 N/A PHE 355.A N VAL 287.A O no hydrogen 2.774 N/A THR 356.A N GLY 340.A O no hydrogen 2.783 N/A LYS 357.A NZ TYR 278.A O no hydrogen 2.876 N/A LYS 357.A NZ LEU 281.A O no hydrogen 2.839 N/A LYS 357.A NZ PRO 282.A O no hydrogen 2.893 N/A