Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3daw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 HIS 98.A ND1 no hydrogen 3.404 N/A LEU 5.A N PRO 99.A O no hydrogen 2.797 N/A VAL 6.A N GLY 17.A O no hydrogen 2.911 N/A CYS 7.A N LEU 101.A O no hydrogen 2.911 N/A ASP 8.A N LYS 15.A O no hydrogen 2.800 N/A GLY 10.A N LEU 13.A O no hydrogen 3.074 N/A SER 11.A OG ILE 68.A O no hydrogen 3.515 N/A VAL 14.A N PHE 28.A O no hydrogen 2.861 N/A LYS 15.A N ASP 8.A O no hydrogen 3.051 N/A LYS 15.A NZ LEU 13.A O no hydrogen 3.372 N/A ALA 16.A N ALA 26.A O no hydrogen 2.867 N/A GLY 17.A N VAL 6.A O no hydrogen 3.024 N/A ALA 19.A N ALA 4.A O no hydrogen 2.816 N/A GLY 20.A N SER 341.A OG no hydrogen 2.458 N/A ASP 21.A N PHE 18.A O no hydrogen 3.082 N/A ALA 26.A N ALA 16.A O no hydrogen 3.019 N/A PHE 28.A N VAL 14.A O no hydrogen 3.216 N/A SER 30.A N GLY 12.A O no hydrogen 2.945 N/A SER 30.A OG GLY 10.A O no hydrogen 3.442 N/A VAL 32.A N LYS 65.A O no hydrogen 2.929 N/A GLY 33.A N TYR 50.A O no hydrogen 2.603 N/A ARG 34.A N THR 63.A O no hydrogen 3.123 N/A ARG 36.A N ILE 61.A O no hydrogen 3.130 N/A GLY 45.A N TYR 50.A OH no hydrogen 3.268 N/A SER 49.A OG ASP 48.A OD1 no hydrogen 3.263 N/A TYR 50.A N GLY 33.A O no hydrogen 2.848 N/A GLY 52.A N ILE 31.A O no hydrogen 2.704 N/A GLN 56.A N GLY 52.A O no hydrogen 3.170 N/A GLN 56.A NE2 GLN 56.A O no hydrogen 3.547 N/A SER 57.A N ASP 53.A O no hydrogen 3.103 N/A SER 57.A OG ASP 53.A O no hydrogen 3.415 N/A LYS 58.A N GLU 54.A O no hydrogen 3.092 N/A ARG 59.A N GLN 56.A O no hydrogen 2.907 N/A ARG 59.A NE GLN 56.A O no hydrogen 2.802 N/A ILE 61.A N LYS 58.A O no hydrogen 2.905 N/A LEU 62.A N ARG 59.A O no hydrogen 3.317 N/A THR 63.A N ARG 34.A O no hydrogen 2.536 N/A LYS 65.A N VAL 32.A O no hydrogen 2.783 N/A GLU 69.A N ILE 72.A O no hydrogen 2.704 N/A HIS 70.A ND1 GLY 155.A O no hydrogen 2.910 N/A GLY 71.A N SER 11.A OG no hydrogen 2.822 N/A ILE 72.A N GLU 69.A O no hydrogen 3.062 N/A THR 74.A N PRO 67.A O no hydrogen 2.893 N/A THR 74.A OG1 PRO 67.A O no hydrogen 3.327 N/A THR 74.A OG1 GLU 69.A OE1 no hydrogen 2.837 N/A ASN 75.A N PRO 67.A O no hydrogen 3.357 N/A ASP 78.A N ASN 75.A OD1 no hydrogen 3.114 N/A MET 79.A N ASN 75.A O no hydrogen 2.937 N/A GLU 80.A N TRP 76.A O no hydrogen 3.013 N/A ILE 82.A N ASP 78.A O no hydrogen 3.233 N/A TRP 83.A N MET 79.A O no hydrogen 3.183 N/A TRP 83.A NE1 ASN 9.A OD1 no hydrogen 3.196 N/A HIS 84.A N GLU 80.A O no hydrogen 2.871 N/A HIS 85.A N LYS 81.A O no hydrogen 2.862 N/A HIS 85.A NE2 GLU 90.A OE2 no hydrogen 2.645 N/A THR 86.A N ILE 82.A O no hydrogen 2.812 N/A THR 86.A OG1 ILE 82.A O no hydrogen 2.590 N/A PHE 87.A N TRP 83.A O no hydrogen 2.931 N/A TYR 88.A N HIS 84.A O no hydrogen 2.916 N/A ASN 89.A N HIS 85.A O no hydrogen 3.049 N/A ASN 89.A ND2 HIS 85.A ND1 no hydrogen 2.581 N/A GLU 90.A N HIS 85.A O no hydrogen 2.818 N/A LEU 91.A N THR 86.A O no hydrogen 2.889 N/A VAL 93.A N PHE 87.A O no hydrogen 2.885 N/A GLU 97.A N ALA 94.A O no hydrogen 2.887 N/A HIS 98.A N PRO 95.A O no hydrogen 3.214 N/A HIS 98.A ND1 THR 3.A O no hydrogen 2.785 N/A THR 100.A N ALA 128.A O no hydrogen 3.067 N/A THR 100.A OG1 HIS 98.A O no hydrogen 3.504 N/A LEU 101.A N LEU 5.A O no hydrogen 2.836 N/A LEU 102.A N TYR 130.A O no hydrogen 2.888 N/A THR 103.A OG1 ASP 8.A OD1 no hydrogen 2.597 N/A GLU 104.A N ALA 132.A O no hydrogen 2.827 N/A ASN 108.A ND2 GLU 104.A OE1 no hydrogen 3.007 N/A ASN 112.A N PRO 109.A O no hydrogen 2.988 N/A ARG 113.A N PRO 109.A O no hydrogen 3.304 N/A ARG 113.A NE GLU 104.A OE1 no hydrogen 3.433 N/A ARG 113.A NE GLU 104.A OE2 no hydrogen 3.140 N/A ARG 113.A NH2 GLU 104.A OE2 no hydrogen 2.748 N/A GLU 114.A N LYS 110.A O no hydrogen 3.008 N/A LYS 115.A N ALA 111.A O no hydrogen 3.005 N/A MET 116.A N ASN 112.A O no hydrogen 2.911 N/A THR 117.A N ARG 113.A O no hydrogen 3.219 N/A THR 117.A OG1 GLU 114.A O no hydrogen 3.419 N/A GLN 118.A N GLU 114.A O no hydrogen 2.737 N/A ILE 119.A N LYS 115.A O no hydrogen 2.806 N/A MET 120.A N MET 116.A O no hydrogen 3.232 N/A PHE 121.A N THR 117.A O no hydrogen 2.994 N/A GLU 122.A N GLN 118.A O no hydrogen 2.696 N/A THR 123.A N ILE 119.A O no hydrogen 2.771 N/A PHE 124.A N ILE 119.A O no hydrogen 3.123 N/A VAL 126.A N MET 120.A O no hydrogen 3.141 N/A MET 129.A N ILE 354.A O no hydrogen 2.958 N/A TYR 130.A N THR 100.A O no hydrogen 3.030 N/A ALA 132.A N LEU 102.A O no hydrogen 2.903 N/A GLN 134.A N GLU 104.A O no hydrogen 2.987 N/A GLN 134.A NE2 THR 103.A OG1 no hydrogen 3.154 N/A LEU 137.A N ILE 133.A O no hydrogen 3.147 N/A SER 138.A N GLN 134.A O no hydrogen 3.163 N/A SER 138.A OG SER 335.A OG no hydrogen 2.821 N/A LEU 139.A N ALA 135.A O no hydrogen 3.161 N/A TYR 140.A N VAL 136.A O no hydrogen 2.933 N/A ALA 141.A N SER 138.A O no hydrogen 2.942 N/A SER 142.A N SER 138.A O no hydrogen 3.053 N/A SER 142.A N LEU 139.A O no hydrogen 3.054 N/A SER 142.A OG LEU 139.A O no hydrogen 2.443 N/A GLY 143.A N TYR 140.A O no hydrogen 3.225 N/A ARG 144.A NE ASN 293.A OD1 no hydrogen 2.740 N/A ARG 144.A NH1 SER 142.A OG no hydrogen 3.146 N/A ARG 144.A NH2 ASN 293.A OD1 no hydrogen 3.280 N/A GLY 147.A N ILE 162.A O no hydrogen 3.097 N/A ILE 148.A N ASN 293.A O no hydrogen 3.041 N/A VAL 149.A N VAL 160.A O no hydrogen 3.048 N/A LEU 150.A N VAL 295.A O no hydrogen 2.706 N/A SER 152.A N SER 297.A O no hydrogen 3.044 N/A SER 152.A OG THR 157.A OG1 no hydrogen 2.656 N/A GLY 153.A N VAL 156.A O no hydrogen 3.226 N/A THR 157.A N LEU 175.A O no hydrogen 2.789 N/A THR 157.A OG1 SER 152.A OG no hydrogen 2.656 N/A THR 157.A OG1 LEU 177.A O no hydrogen 3.080 N/A HIS 158.A N ASP 151.A O no hydrogen 2.666 N/A ASN 159.A N MET 173.A O no hydrogen 2.831 N/A VAL 160.A N VAL 149.A O no hydrogen 2.874 N/A ILE 162.A N GLY 147.A O no hydrogen 2.762 N/A TYR 163.A N TYR 166.A O no hydrogen 2.732 N/A GLU 164.A N THR 146.A OG1 no hydrogen 2.905 N/A GLY 165.A N THR 145.A O no hydrogen 3.082 N/A TYR 166.A N TYR 163.A O no hydrogen 3.058 N/A LEU 168.A N PRO 161.A O no hydrogen 2.862 N/A HIS 170.A NE2 LYS 281.A O no hydrogen 2.269 N/A ALA 171.A N LEU 168.A O no hydrogen 2.993 N/A ILE 172.A N PRO 169.A O no hydrogen 3.271 N/A MET 173.A N ASN 159.A O no hydrogen 3.011 N/A ARG 174.A NE ASP 176.A OD1 no hydrogen 3.166 N/A ARG 174.A NH2 ASP 176.A OD1 no hydrogen 2.916 N/A LEU 175.A N THR 157.A O no hydrogen 2.711 N/A LEU 177.A N LEU 175.A O no hydrogen 2.812 N/A ALA 178.A N ASP 181.A OD1 no hydrogen 2.841 N/A GLY 179.A N GLY 153.A O no hydrogen 3.251 N/A ARG 180.A N ASP 154.A O no hydrogen 2.914 N/A ARG 180.A NH1 ASP 154.A OD2 no hydrogen 2.881 N/A LEU 182.A N ALA 178.A O no hydrogen 3.074 N/A THR 183.A N GLY 179.A O no hydrogen 2.821 N/A THR 183.A OG1 GLY 179.A O no hydrogen 3.390 N/A ASP 184.A N ARG 180.A O no hydrogen 3.251 N/A TYR 185.A N ASP 181.A O no hydrogen 3.057 N/A LEU 186.A N LEU 182.A O no hydrogen 2.954 N/A MET 187.A N THR 183.A O no hydrogen 2.838 N/A LYS 188.A N ASP 184.A O no hydrogen 2.902 N/A ILE 189.A N TYR 185.A O no hydrogen 2.999 N/A LEU 190.A N LEU 186.A O no hydrogen 2.924 N/A THR 191.A N MET 187.A O no hydrogen 3.094 N/A THR 191.A OG1 MET 187.A O no hydrogen 2.974 N/A THR 191.A OG1 PHE 197.A O no hydrogen 3.212 N/A GLU 192.A N LYS 188.A O no hydrogen 2.983 N/A ARG 193.A N ILE 189.A O no hydrogen 3.112 N/A ARG 193.A NE THR 246.A O no hydrogen 2.994 N/A ARG 193.A NH1 GLU 250.A OE2 no hydrogen 3.186 N/A ARG 193.A NH2 THR 246.A OG1 no hydrogen 3.403 N/A GLY 194.A N THR 191.A O no hydrogen 3.017 N/A TYR 195.A OH THR 246.A O no hydrogen 2.905 N/A PHE 197.A N THR 191.A OG1 no hydrogen 2.945 N/A VAL 198.A N GLU 202.A OE2 no hydrogen 2.711 N/A ARG 203.A N THR 199.A O no hydrogen 2.790 N/A ARG 203.A NE ASP 184.A OD1 no hydrogen 3.076 N/A GLU 204.A N THR 200.A O no hydrogen 3.436 N/A VAL 206.A N GLU 202.A O no hydrogen 2.828 N/A ARG 207.A N ARG 203.A O no hydrogen 2.929 N/A ARG 207.A NE GLU 204.A OE1 no hydrogen 3.513 N/A ARG 207.A NH1 GLU 211.A OE2 no hydrogen 3.324 N/A ARG 207.A NH2 GLU 204.A OE1 no hydrogen 3.295 N/A ASP 208.A N GLU 204.A O no hydrogen 3.252 N/A ILE 209.A N ILE 205.A O no hydrogen 3.042 N/A LYS 210.A N VAL 206.A O no hydrogen 2.798 N/A LYS 210.A NZ GLY 179.A O no hydrogen 3.070 N/A LYS 210.A NZ THR 183.A OG1 no hydrogen 3.017 N/A GLU 211.A N ARG 207.A O no hydrogen 2.970 N/A LYS 212.A N ILE 209.A O no hydrogen 2.918 N/A LYS 212.A NZ ASP 208.A OD2 no hydrogen 3.202 N/A LEU 213.A N ILE 209.A O no hydrogen 2.914 N/A CYS 214.A SG ARG 251.A O no hydrogen 3.390 N/A TYR 215.A N ARG 251.A O no hydrogen 2.892 N/A TYR 215.A OH GLU 223.A OE2 no hydrogen 2.853 N/A VAL 216.A N PRO 304.A O no hydrogen 2.881 N/A ASN 222.A N ASP 219.A OD2 no hydrogen 3.343 N/A GLU 223.A N ASP 219.A O no hydrogen 3.101 N/A MET 224.A N PHE 220.A O no hydrogen 2.762 N/A ALA 225.A N GLU 221.A O no hydrogen 2.943 N/A THR 226.A N ASN 222.A O no hydrogen 2.737 N/A THR 226.A OG1 ASN 222.A O no hydrogen 2.626 N/A ALA 227.A N MET 224.A O no hydrogen 3.347 N/A ALA 228.A N MET 224.A O no hydrogen 2.965 N/A SER 229.A N ALA 225.A O no hydrogen 3.376 N/A SER 229.A OG ALA 225.A O no hydrogen 3.185 N/A SER 230.A N ALA 227.A O no hydrogen 3.469 N/A SER 230.A OG THR 226.A O no hydrogen 2.421 N/A TYR 237.A N ILE 245.A O no hydrogen 3.043 N/A TYR 237.A OH ASP 208.A OD1 no hydrogen 2.449 N/A LEU 239.A N GLN 243.A O no hydrogen 2.900 N/A GLN 243.A N ASP 241.A OD1 no hydrogen 3.056 N/A ILE 245.A N TYR 237.A O no hydrogen 3.428 N/A THR 246.A N TYR 195.A OH no hydrogen 2.826 N/A ILE 247.A N LYS 235.A O no hydrogen 3.162 N/A GLY 248.A N GLU 250.A OE1 no hydrogen 3.124 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.673 N/A ARG 251.A N GLY 248.A O no hydrogen 2.751 N/A ARG 251.A NE LEU 233.A O no hydrogen 3.398 N/A ARG 251.A NH1 LEU 213.A O no hydrogen 3.130 N/A ARG 251.A NH2 LEU 233.A O no hydrogen 3.113 N/A PHE 252.A N ASN 249.A O no hydrogen 3.204 N/A ARG 253.A N ASN 249.A O no hydrogen 2.931 N/A ARG 253.A NH1 ASN 249.A OD1 no hydrogen 2.941 N/A CYS 254.A N GLU 250.A O no hydrogen 3.030 N/A CYS 254.A SG LEU 182.A O no hydrogen 3.429 N/A GLU 256.A N PHE 252.A O no hydrogen 3.140 N/A THR 257.A N CYS 254.A O no hydrogen 3.087 N/A THR 257.A OG1 CYS 254.A O no hydrogen 2.950 N/A LEU 258.A N PRO 255.A O no hydrogen 2.939 N/A PHE 259.A N GLU 256.A O no hydrogen 2.753 N/A GLN 260.A N GLU 256.A O no hydrogen 2.815 N/A PHE 263.A N GLN 260.A O no hydrogen 2.962 N/A ILE 264.A N PRO 261.A O no hydrogen 3.054 N/A GLY 265.A N SER 262.A O no hydrogen 2.618 N/A SER 268.A OG ALA 269.A O no hydrogen 2.852 N/A ILE 271.A N LEU 258.A O no hydrogen 3.203 N/A THR 274.A N GLY 270.A O no hydrogen 2.870 N/A THR 274.A OG1 GLY 270.A O no hydrogen 3.540 N/A THR 274.A OG1 ILE 271.A O no hydrogen 2.922 N/A THR 275.A N ILE 271.A O no hydrogen 2.905 N/A TYR 276.A N HIS 272.A O no hydrogen 3.020 N/A ASN 277.A N GLU 273.A O no hydrogen 2.772 N/A SER 278.A N THR 274.A O no hydrogen 2.967 N/A SER 278.A OG ALA 171.A O no hydrogen 2.616 N/A ILE 279.A N THR 275.A O no hydrogen 3.221 N/A MET 280.A N TYR 276.A O no hydrogen 2.957 N/A LYS 281.A N ASN 277.A O no hydrogen 2.951 N/A LYS 281.A N SER 278.A O no hydrogen 3.100 N/A CYS 282.A N ILE 279.A O no hydrogen 2.931 N/A CYS 282.A SG SER 278.A O no hydrogen 3.589 N/A ARG 287.A NE CYS 282.A O no hydrogen 3.377 N/A ARG 287.A NH2 CYS 282.A O no hydrogen 3.012 N/A LYS 288.A N ASP 285.A O no hydrogen 3.249 N/A ASP 289.A N ILE 286.A O no hydrogen 2.924 N/A LEU 290.A N ILE 286.A O no hydrogen 3.295 N/A TYR 291.A N ARG 287.A O no hydrogen 3.183 N/A ALA 292.A N LYS 288.A O no hydrogen 3.333 N/A ASN 293.A N LEU 290.A O no hydrogen 2.889 N/A ASN 293.A ND2 ASP 289.A O no hydrogen 2.904 N/A ASN 294.A N LYS 325.A O no hydrogen 3.190 N/A ASN 294.A ND2 TYR 291.A O no hydrogen 3.068 N/A VAL 295.A N ILE 148.A O no hydrogen 3.030 N/A MET 296.A N ILE 327.A O no hydrogen 3.014 N/A SER 297.A N LEU 150.A O no hydrogen 3.193 N/A GLY 298.A N ARG 332.A O no hydrogen 3.055 N/A THR 300.A N SER 152.A O no hydrogen 2.955 N/A THR 300.A OG1 GLY 153.A O no hydrogen 2.747 N/A THR 301.A N GLY 298.A O no hydrogen 2.967 N/A THR 301.A OG1 GLY 298.A O no hydrogen 2.907 N/A MET 302.A N GLY 299.A O no hydrogen 3.140 N/A ILE 306.A N TYR 303.A O no hydrogen 3.282 N/A ARG 309.A N GLY 305.A O no hydrogen 3.114 N/A ARG 309.A NE GLU 313.A OE2 no hydrogen 2.895 N/A ARG 309.A NH1 ALA 217.A O no hydrogen 2.691 N/A ARG 309.A NH1 GLU 256.A OE1 no hydrogen 3.067 N/A ARG 309.A NH2 GLU 256.A OE1 no hydrogen 3.239 N/A ARG 309.A NH2 GLU 256.A OE2 no hydrogen 3.326 N/A MET 310.A N ILE 306.A O no hydrogen 3.017 N/A GLN 311.A N ALA 307.A O no hydrogen 3.038 N/A GLN 311.A NE2 ILE 324.A O no hydrogen 2.802 N/A LYS 312.A N ASP 308.A O no hydrogen 2.947 N/A LYS 312.A NZ LEU 218.A O no hydrogen 3.445 N/A GLU 313.A N ARG 309.A O no hydrogen 2.892 N/A ILE 314.A N MET 310.A O no hydrogen 2.788 N/A THR 315.A N GLN 311.A O no hydrogen 3.080 N/A THR 315.A OG1 GLN 311.A O no hydrogen 2.897 N/A ALA 316.A N LYS 312.A O no hydrogen 3.039 N/A LEU 317.A N GLU 313.A O no hydrogen 3.072 N/A LEU 317.A N ILE 314.A O no hydrogen 2.879 N/A ALA 318.A N THR 315.A O no hydrogen 2.960 N/A LYS 325.A N TYR 291.A O no hydrogen 3.128 N/A ILE 327.A N ASN 294.A O no hydrogen 2.649 N/A ARG 332.A N PRO 329.A O no hydrogen 3.224 N/A ARG 332.A NE THR 301.A O no hydrogen 3.202 N/A ARG 332.A NH1 PRO 329.A O no hydrogen 2.752 N/A ARG 332.A NH2 THR 301.A O no hydrogen 3.025 N/A TYR 334.A N GLU 331.A O no hydrogen 3.027 N/A SER 335.A OG SER 138.A OG no hydrogen 2.821 N/A SER 335.A OG ARG 332.A O no hydrogen 3.262 N/A TRP 337.A NE1 VAL 6.A O no hydrogen 2.848 N/A ILE 338.A N TYR 334.A O no hydrogen 2.739 N/A GLY 339.A N SER 335.A O no hydrogen 3.021 N/A GLY 340.A N VAL 336.A O no hydrogen 3.378 N/A SER 341.A N TRP 337.A O no hydrogen 3.014 N/A SER 341.A OG ASP 21.A O no hydrogen 2.769 N/A ILE 342.A N ILE 338.A O no hydrogen 3.012 N/A LEU 343.A N GLY 339.A O no hydrogen 3.111 N/A ALA 344.A N GLY 340.A O no hydrogen 2.767 N/A SER 345.A OG SER 341.A O no hydrogen 2.761 N/A SER 345.A OG ILE 342.A O no hydrogen 2.897 N/A LEU 346.A N LEU 343.A O no hydrogen 3.304 N/A PHE 349.A N LEU 346.A O no hydrogen 2.816 N/A GLN 350.A N SER 347.A O no hydrogen 2.918 N/A MET 352.A N PHE 349.A O no hydrogen 2.910 N/A ILE 354.A N MET 129.A O no hydrogen 3.049 N/A THR 355.A N GLU 358.A OE1 no hydrogen 2.976 N/A THR 355.A OG1 GLU 358.A OE1 no hydrogen 3.271 N/A LYS 356.A N PRO 127.A O no hydrogen 2.996 N/A LYS 356.A NZ ASP 360.A OD1 no hydrogen 2.842 N/A LYS 356.A NZ ASP 360.A OD2 no hydrogen 2.952 N/A GLU 358.A N THR 355.A OG1 no hydrogen 2.871 N/A TYR 359.A N THR 355.A O no hydrogen 2.949 N/A TYR 359.A OH GLU 122.A OE2 no hydrogen 2.520 N/A ASP 360.A N LYS 356.A O no hydrogen 2.716 N/A GLU 361.A N GLU 358.A O no hydrogen 3.380 N/A LYS 370.A N ILE 366.A O no hydrogen 2.862 N/A LYS 370.A NZ GLN 351.A O no hydrogen 3.188 N/A CYS 371.A N VAL 367.A O no hydrogen 3.371 N/A