Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kd8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ALA 353.A O no hydrogen 2.859 N/A LYS 1.A NZ GLY 300.A O no hydrogen 3.540 N/A LYS 1.A NZ THR 320.A OG1 no hydrogen 3.084 N/A SER 2.A N HIS 302.A O no hydrogen 3.021 N/A SER 2.A OG THR 264.A O no hydrogen 2.790 N/A SER 2.A OG HIS 267.A O no hydrogen 3.301 N/A ILE 3.A N ASP 268.A O no hydrogen 2.775 N/A ILE 4.A N VAL 304.A O no hydrogen 2.871 N/A LEU 5.A N VAL 270.A O no hydrogen 2.865 N/A ILE 6.A N CYS 306.A O no hydrogen 2.724 N/A VAL 7.A N VAL 272.A O no hydrogen 2.799 N/A LEU 8.A N THR 308.A O no hydrogen 2.771 N/A ASP 9.A N ILE 274.A O no hydrogen 2.691 N/A GLY 10.A N ASP 310.A OD2 no hydrogen 3.202 N/A ASP 13.A N GLU 332.A OE2 no hydrogen 3.191 N/A GLY 16.A N ARG 22.A O no hydrogen 3.016 N/A LEU 19.A N GLY 16.A O no hydrogen 3.253 N/A GLN 20.A N SER 17.A O no hydrogen 2.926 N/A ASN 21.A N GLY 16.A O no hydrogen 2.973 N/A ARG 22.A N GLY 16.A O no hydrogen 3.385 N/A ARG 22.A NE LEU 19.A O no hydrogen 2.746 N/A ARG 22.A NH2 LEU 19.A O no hydrogen 2.956 N/A THR 23.A N GLN 26.A OE1 no hydrogen 2.830 N/A THR 23.A OG1 GLN 26.A OE1 no hydrogen 3.398 N/A THR 23.A OG1 GLU 332.A OE1 no hydrogen 2.680 N/A THR 23.A OG1 GLU 332.A OE2 no hydrogen 3.341 N/A GLN 26.A N THR 23.A OG1 no hydrogen 3.214 N/A ALA 27.A N THR 23.A O no hydrogen 3.023 N/A ALA 27.A N PRO 24.A O no hydrogen 2.943 N/A ALA 28.A N PRO 24.A O no hydrogen 2.754 N/A PHE 29.A N GLU 288.A OE2 no hydrogen 2.815 N/A ARG 30.A NE ALA 28.A O no hydrogen 3.084 N/A ARG 30.A NH1 ASP 331.A OD2 no hydrogen 3.165 N/A ASN 32.A N ASP 291.A OD2 no hydrogen 2.796 N/A ASN 32.A ND2 ASP 291.A O no hydrogen 2.852 N/A LEU 33.A N ASP 291.A OD1 no hydrogen 2.673 N/A ASN 34.A N ARG 30.A O no hydrogen 2.778 N/A TRP 35.A N PRO 31.A O no hydrogen 2.699 N/A LEU 36.A N ASN 32.A O no hydrogen 3.044 N/A ALA 37.A N LEU 33.A O no hydrogen 3.153 N/A ALA 37.A N ASN 34.A O no hydrogen 3.046 N/A SER 38.A N ASN 34.A O no hydrogen 2.932 N/A SER 38.A OG HIS 328.A ND1 no hydrogen 3.176 N/A HIS 39.A N TRP 35.A O no hydrogen 3.034 N/A HIS 39.A ND1 TRP 35.A O no hydrogen 2.797 N/A GLY 40.A N ALA 37.A O no hydrogen 3.220 N/A ILE 41.A N PHE 318.A O no hydrogen 2.932 N/A ASN 42.A N ASP 325.A OD2 no hydrogen 2.830 N/A ASN 42.A ND2 ALA 37.A O no hydrogen 3.002 N/A ASN 42.A ND2 ASP 325.A OD1 no hydrogen 2.930 N/A GLY 43.A N ILE 316.A O no hydrogen 3.115 N/A ILE 44.A N LEU 340.A O no hydrogen 3.089 N/A THR 51.A N ASP 50.A OD1 no hydrogen 2.614 N/A HIS 53.A NE2 ASN 273.A OD1 no hydrogen 2.843 N/A SER 54.A OG SER 344.A OG no hydrogen 2.790 N/A LEU 55.A N SER 52.A O no hydrogen 2.998 N/A LEU 56.A N HIS 53.A O no hydrogen 3.073 N/A GLY 57.A N SER 54.A O no hydrogen 2.940 N/A TYR 58.A OH PRO 217.A O no hydrogen 2.690 N/A TYR 58.A OH SER 218.A O no hydrogen 2.871 N/A VAL 62.A N ASP 59.A O no hydrogen 2.831 N/A TYR 63.A N ASP 59.A O no hydrogen 2.705 N/A TYR 64.A N PRO 60.A O no hydrogen 3.000 N/A PHE 70.A N GLY 66.A O no hydrogen 3.082 N/A GLU 71.A N ARG 67.A O no hydrogen 2.997 N/A GLU 71.A N GLY 68.A O no hydrogen 2.893 N/A ALA 72.A N GLY 68.A O no hydrogen 3.320 N/A LEU 73.A N PRO 69.A O no hydrogen 3.023 N/A GLY 74.A N PHE 70.A O no hydrogen 2.895 N/A LEU 75.A N ALA 72.A O no hydrogen 2.972 N/A GLY 76.A N LEU 73.A O no hydrogen 2.799 N/A ARG 79.A N ASP 82.A OD2 no hydrogen 2.577 N/A GLY 81.A N VAL 213.A O no hydrogen 2.717 N/A ASP 82.A N ARG 79.A O no hydrogen 3.084 N/A LEU 83.A N VAL 138.A O no hydrogen 2.724 N/A ALA 84.A N GLY 211.A O no hydrogen 3.044 N/A PHE 85.A N LEU 136.A O no hydrogen 2.641 N/A ARG 86.A N ARG 208.A O no hydrogen 2.931 N/A ARG 86.A NE GLU 71.A OE2 no hydrogen 3.139 N/A ARG 86.A NH2 GLU 71.A OE2 no hydrogen 3.130 N/A ALA 87.A N ALA 134.A O no hydrogen 2.966 N/A ASN 88.A N LEU 206.A O no hydrogen 2.862 N/A ASN 88.A ND2 ARG 100.A O no hydrogen 3.088 N/A PHE 89.A N HIS 132.A O no hydrogen 2.994 N/A ALA 90.A N GLU 204.A O no hydrogen 2.828 N/A THR 91.A N ASP 99.A O no hydrogen 2.816 N/A THR 91.A OG1 PRO 201.A O no hydrogen 2.580 N/A ASN 92.A N ASN 203.A OD1 no hydrogen 2.664 N/A ASN 92.A ND2 GLU 204.A OE1 no hydrogen 2.941 N/A ARG 93.A N VAL 96.A O no hydrogen 3.042 N/A ILE 97.A N LEU 156.A O no hydrogen 2.931 N/A VAL 98.A N THR 91.A O no hydrogen 2.912 N/A ARG 100.A N GLU 154.A OE2 no hydrogen 2.977 N/A ARG 100.A NH1 ASP 150.A OD1 no hydrogen 2.846 N/A ARG 101.A N ASP 99.A OD1 no hydrogen 2.918 N/A ALA 102.A N ASP 99.A O no hydrogen 3.309 N/A GLY 103.A N ASP 99.A OD1 no hydrogen 3.173 N/A ARG 104.A N ARG 101.A O no hydrogen 3.006 N/A GLU 105.A N ALA 102.A O no hydrogen 3.177 N/A ASN 106.A ND2 GLY 129.A O no hydrogen 3.014 N/A ASN 106.A ND2 GLU 131.A O no hydrogen 2.904 N/A ASN 109.A N ASN 106.A O no hydrogen 3.001 N/A GLU 111.A N GLU 111.A OE2 no hydrogen 2.718 N/A LEU 112.A N GLY 108.A O no hydrogen 3.026 N/A ALA 113.A N ASN 109.A O no hydrogen 2.781 N/A ASP 114.A N GLU 110.A O no hydrogen 2.736 N/A ALA 115.A N GLU 111.A O no hydrogen 2.901 N/A ILE 116.A N LEU 112.A O no hydrogen 3.309 N/A SER 117.A N ASP 114.A O no hydrogen 3.110 N/A SER 117.A OG ALA 113.A O no hydrogen 3.027 N/A LEU 118.A N PHE 124.A O no hydrogen 3.057 N/A TYR 122.A OH PRO 141.A O no hydrogen 2.859 N/A SER 123.A N SER 139.A O no hydrogen 3.070 N/A PHE 124.A N LEU 118.A O no hydrogen 2.790 N/A ARG 125.A N VAL 137.A O no hydrogen 2.957 N/A ARG 125.A NH1 LEU 118.A O no hydrogen 2.916 N/A ARG 125.A NH1 ASP 119.A OD2 no hydrogen 3.489 N/A ARG 125.A NH1 PHE 124.A O no hydrogen 2.675 N/A ARG 125.A NH2 ASP 119.A OD2 no hydrogen 2.796 N/A VAL 126.A N SER 117.A OG no hydrogen 3.020 N/A LYS 127.A N ALA 135.A O no hydrogen 3.330 N/A SER 128.A OG GLY 129.A O no hydrogen 3.308 N/A GLY 129.A N ARG 133.A O no hydrogen 2.596 N/A ARG 133.A N VAL 130.A O no hydrogen 3.144 N/A ARG 133.A NH1 VAL 130.A O no hydrogen 2.972 N/A ARG 133.A NH1 GLU 131.A OE1 no hydrogen 2.597 N/A ARG 133.A NH2 GLU 131.A OE1 no hydrogen 3.449 N/A ALA 134.A N ALA 87.A O no hydrogen 2.866 N/A ALA 135.A N LYS 127.A O no hydrogen 3.357 N/A LEU 136.A N PHE 85.A O no hydrogen 3.068 N/A VAL 137.A N ARG 125.A O no hydrogen 2.838 N/A VAL 138.A N LEU 83.A O no hydrogen 2.478 N/A SER 139.A N SER 123.A O no hydrogen 3.180 N/A SER 139.A OG ASP 82.A OD1 no hydrogen 2.492 N/A SER 144.A N THR 171.A OG1 no hydrogen 3.082 N/A SER 144.A OG SER 167.A OG no hydrogen 2.845 N/A GLY 147.A N ARG 162.A O no hydrogen 2.999 N/A SER 149.A N VAL 207.A O no hydrogen 2.764 N/A SER 149.A OG VAL 207.A O no hydrogen 3.436 N/A ASP 150.A N VAL 207.A O no hydrogen 3.047 N/A HIS 152.A N ASP 150.A OD1 no hydrogen 2.794 N/A HIS 152.A NE2 ASP 148.A OD2 no hydrogen 2.848 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.915 N/A GLY 155.A N ILE 97.A O no hydrogen 2.801 N/A GLU 159.A N SER 149.A O no hydrogen 2.841 N/A ILE 161.A N ASN 175.A OD1 no hydrogen 2.899 N/A SER 167.A N ASP 165.A OD1 no hydrogen 2.526 N/A SER 167.A OG SER 144.A OG no hydrogen 2.845 N/A SER 167.A OG ASP 165.A OD1 no hydrogen 2.751 N/A GLY 168.A N ASP 165.A O no hydrogen 3.025 N/A ALA 172.A N GLY 168.A O no hydrogen 2.895 N/A GLU 173.A N ASP 169.A O no hydrogen 3.280 N/A VAL 174.A N ARG 170.A O no hydrogen 2.984 N/A ASN 175.A ND2 ILE 161.A O no hydrogen 3.166 N/A ALA 176.A N GLU 173.A O no hydrogen 3.030 N/A TYR 177.A N VAL 174.A O no hydrogen 3.126 N/A TYR 177.A OH ILE 116.A O no hydrogen 2.819 N/A GLU 179.A N ASN 175.A O no hydrogen 3.071 N/A GLU 180.A N ALA 176.A O no hydrogen 3.301 N/A ALA 181.A N TYR 177.A O no hydrogen 2.967 N/A ARG 182.A N LEU 178.A O no hydrogen 3.051 N/A ARG 182.A NE GLU 204.A OE1 no hydrogen 2.955 N/A ARG 182.A NE GLU 204.A OE2 no hydrogen 3.269 N/A ARG 182.A NH1 GLU 179.A OE1 no hydrogen 3.086 N/A ARG 182.A NH2 GLU 204.A OE2 no hydrogen 3.070 N/A ARG 183.A N GLU 179.A O no hydrogen 3.339 N/A ILE 184.A N GLU 180.A O no hydrogen 3.100 N/A LEU 185.A N ALA 181.A O no hydrogen 2.906 N/A SER 186.A N ARG 182.A O no hydrogen 2.765 N/A SER 186.A OG ARG 182.A O no hydrogen 2.882 N/A ASP 187.A N ARG 183.A O no hydrogen 3.129 N/A HIS 188.A N LEU 185.A O no hydrogen 3.203 N/A VAL 190.A N HIS 188.A ND1 no hydrogen 2.902 N/A ASN 191.A N HIS 188.A O no hydrogen 3.062 N/A ASN 191.A ND2 LEU 185.A O no hydrogen 2.627 N/A ASN 191.A ND2 GLY 202.A O no hydrogen 3.069 N/A LYS 192.A N HIS 188.A O no hydrogen 3.176 N/A LYS 192.A NZ ASP 187.A OD1 no hydrogen 2.877 N/A GLU 193.A N ARG 189.A O no hydrogen 3.263 N/A ARG 194.A N VAL 190.A O no hydrogen 3.319 N/A ARG 194.A NE LEU 200.A O no hydrogen 3.206 N/A ARG 194.A NH1 LYS 107.A O no hydrogen 2.959 N/A ARG 194.A NH2 LEU 200.A O no hydrogen 3.136 N/A VAL 195.A N ASN 191.A O no hydrogen 3.022 N/A LYS 196.A N LYS 192.A O no hydrogen 2.961 N/A ASN 197.A N GLU 193.A O no hydrogen 2.866 N/A GLY 198.A N VAL 195.A O no hydrogen 3.082 N/A ARG 199.A N ARG 194.A O no hydrogen 2.632 N/A GLY 202.A N ASN 191.A OD1 no hydrogen 2.944 N/A ASN 203.A ND2 ASN 92.A O no hydrogen 2.572 N/A LEU 206.A N ASN 88.A O no hydrogen 2.858 N/A VAL 207.A N SER 149.A OG no hydrogen 2.744 N/A ARG 208.A N ARG 86.A O no hydrogen 2.938 N/A ARG 208.A NH2 ASN 88.A OD1 no hydrogen 2.426 N/A SER 209.A N ASP 148.A OD1 no hydrogen 2.982 N/A GLY 211.A N ALA 84.A O no hydrogen 2.869 N/A LYS 212.A N ASP 145.A OD2 no hydrogen 2.985 N/A LYS 212.A NZ LEU 143.A O no hydrogen 2.544 N/A VAL 213.A N ASP 82.A O no hydrogen 2.802 N/A PHE 219.A N LEU 242.A O no hydrogen 2.916 N/A GLU 221.A N SER 218.A OG no hydrogen 3.125 N/A LYS 222.A N SER 218.A O no hydrogen 3.088 N/A LYS 222.A NZ GLY 57.A O no hydrogen 3.373 N/A ASN 223.A N PHE 219.A O no hydrogen 2.820 N/A ASN 223.A N THR 220.A O no hydrogen 3.229 N/A ASN 223.A ND2 LEU 56.A O no hydrogen 3.081 N/A ASN 223.A ND2 PHE 219.A O no hydrogen 3.609 N/A ARG 224.A N THR 220.A O no hydrogen 2.650 N/A LYS 225.A N ASP 268.A OD1 no hydrogen 2.939 N/A ALA 227.A N PHE 269.A O no hydrogen 2.760 N/A CYS 228.A N ASP 244.A O no hydrogen 2.959 N/A VAL 229.A N LEU 271.A O no hydrogen 2.742 N/A VAL 230.A N PHE 246.A O no hydrogen 3.251 N/A LYS 236.A N SER 232.A O no hydrogen 2.692 N/A LYS 236.A NZ ASP 247.A OD2 no hydrogen 2.899 N/A GLY 237.A N PRO 233.A O no hydrogen 2.854 N/A LEU 238.A N TRP 234.A O no hydrogen 2.823 N/A CYS 239.A N LEU 235.A O no hydrogen 2.990 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.362 N/A ARG 240.A N LYS 236.A O no hydrogen 2.873 N/A ARG 240.A NE ASP 77.A OD1 no hydrogen 2.874 N/A ARG 240.A NH2 ASP 77.A OD1 no hydrogen 3.379 N/A LEU 241.A N GLY 237.A O no hydrogen 2.645 N/A LEU 242.A N LEU 238.A O no hydrogen 3.032 N/A LEU 242.A N CYS 239.A O no hydrogen 3.190 N/A ARG 243.A N ARG 240.A O no hydrogen 2.979 N/A PHE 246.A N CYS 228.A O no hydrogen 2.878 N/A ASN 252.A ND2 PRO 249.A O no hydrogen 2.863 N/A TYR 253.A OH LYS 275.A O no hydrogen 2.930 N/A ARG 254.A NE GLU 258.A OE1 no hydrogen 3.293 N/A GLY 255.A N ASN 252.A OD1 no hydrogen 3.212 N/A LYS 256.A NZ ASN 273.A O no hydrogen 2.425 N/A ILE 257.A N TYR 253.A O no hydrogen 3.010 N/A GLU 258.A N ARG 254.A O no hydrogen 2.588 N/A LYS 259.A N GLY 255.A O no hydrogen 2.624 N/A ALA 260.A N LYS 256.A O no hydrogen 2.888 N/A VAL 261.A N ILE 257.A O no hydrogen 2.947 N/A ASP 262.A N GLU 258.A O no hydrogen 3.195 N/A LEU 263.A N LYS 259.A O no hydrogen 3.099 N/A LEU 263.A N ALA 260.A O no hydrogen 3.072 N/A THR 264.A N VAL 261.A O no hydrogen 3.215 N/A THR 264.A OG1 VAL 261.A O no hydrogen 2.484 N/A SER 265.A OG ASP 262.A O no hydrogen 3.402 N/A SER 266.A OG LEU 263.A O no hydrogen 3.361 N/A SER 266.A OG HIS 267.A ND1 no hydrogen 2.658 N/A HIS 267.A N LEU 263.A O no hydrogen 2.701 N/A HIS 267.A ND1 SER 266.A OG no hydrogen 2.658 N/A HIS 267.A NE2 ASP 244.A OD2 no hydrogen 2.702 N/A ASP 268.A N LYS 225.A O no hydrogen 2.584 N/A PHE 269.A N LYS 225.A O no hydrogen 3.239 N/A VAL 270.A N ILE 3.A O no hydrogen 2.993 N/A LEU 271.A N ALA 227.A O no hydrogen 2.946 N/A VAL 272.A N LEU 5.A O no hydrogen 2.718 N/A ASN 273.A N VAL 229.A O no hydrogen 3.274 N/A ILE 274.A N VAL 7.A O no hydrogen 2.802 N/A LYS 275.A NZ SER 232.A OG no hydrogen 2.723 N/A ALA 276.A N ASP 9.A O no hydrogen 3.338 N/A TYR 280.A OH ARG 14.A O no hydrogen 2.553 N/A LYS 283.A N ASN 279.A O no hydrogen 3.185 N/A LYS 283.A NZ GLY 278.A O no hydrogen 2.783 N/A ARG 284.A N TYR 280.A O no hydrogen 2.954 N/A ARG 284.A NE ASP 285.A OD1 no hydrogen 3.135 N/A ARG 284.A NH2 ASP 285.A OD1 no hydrogen 3.130 N/A ASP 285.A N PRO 281.A O no hydrogen 2.955 N/A VAL 286.A N LEU 282.A O no hydrogen 2.925 N/A ILE 287.A N LYS 283.A O no hydrogen 3.113 N/A GLU 288.A N ARG 284.A O no hydrogen 2.930 N/A ASP 289.A N ASP 285.A O no hydrogen 2.936 N/A ILE 290.A N VAL 286.A O no hydrogen 2.767 N/A ASP 291.A N ILE 287.A O no hydrogen 2.776 N/A ARG 292.A N GLU 288.A O no hydrogen 3.042 N/A ALA 293.A N ASP 289.A O no hydrogen 3.274 N/A LYS 297.A N GLU 294.A O no hydrogen 2.948 N/A LYS 297.A NZ ASN 32.A OD1 no hydrogen 3.140 N/A SER 298.A N PRO 295.A O no hydrogen 2.736 N/A HIS 302.A N ILE 299.A O no hydrogen 2.995 N/A VAL 304.A N SER 2.A O no hydrogen 2.690 N/A ILE 305.A N TYR 319.A O no hydrogen 2.775 N/A CYS 306.A N ILE 4.A O no hydrogen 2.761 N/A CYS 306.A SG VAL 317.A O no hydrogen 3.650 N/A VAL 307.A N VAL 317.A O no hydrogen 2.960 N/A THR 308.A N ILE 6.A O no hydrogen 2.811 N/A THR 308.A OG1 PRO 315.A O no hydrogen 2.920 N/A ILE 316.A N GLY 43.A O no hydrogen 2.955 N/A VAL 317.A N VAL 307.A O no hydrogen 3.079 N/A PHE 318.A N ILE 41.A O no hydrogen 3.088 N/A TYR 319.A N ILE 305.A O no hydrogen 2.766 N/A THR 320.A OG1 GLY 300.A O no hydrogen 3.127 N/A THR 320.A OG1 ALA 303.A O no hydrogen 2.638 N/A ASP 321.A N GLY 300.A O no hydrogen 3.112 N/A VAL 323.A N THR 320.A O no hydrogen 3.072 N/A ASN 324.A ND2 GLY 40.A O no hydrogen 2.986 N/A ASN 324.A ND2 VAL 327.A O no hydrogen 3.181 N/A GLY 326.A N ASN 324.A OD1 no hydrogen 2.771 N/A HIS 328.A ND1 SER 38.A OG no hydrogen 3.176 N/A PHE 330.A N ASN 34.A OD1 no hydrogen 2.681 N/A ASP 331.A N SER 335.A OG no hydrogen 3.165 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.880 N/A LEU 333.A N ASP 331.A OD1 no hydrogen 3.278 N/A SER 334.A N ASP 331.A OD1 no hydrogen 2.985 N/A SER 334.A OG ASP 331.A OD1 no hydrogen 3.122 N/A SER 334.A OG ASP 331.A OD2 no hydrogen 2.683 N/A SER 335.A N ASP 331.A O no hydrogen 2.949 N/A SER 335.A OG LEU 329.A O no hydrogen 3.536 N/A SER 335.A OG ASP 331.A O no hydrogen 3.053 N/A ALA 336.A N LEU 333.A O no hydrogen 3.341 N/A SER 337.A N SER 334.A O no hydrogen 2.827 N/A GLY 338.A N SER 335.A O no hydrogen 3.119 N/A SER 339.A N ASP 325.A OD2 no hydrogen 3.003 N/A SER 339.A OG ASP 325.A OD2 no hydrogen 2.568 N/A LEU 340.A N ASN 42.A O no hydrogen 2.970 N/A ARG 341.A NH1 ALA 336.A O no hydrogen 2.868 N/A ARG 341.A NH2 ALA 336.A O no hydrogen 3.059 N/A ILE 342.A N ILE 44.A O no hydrogen 3.314 N/A THR 343.A N ASN 346.A OD1 no hydrogen 2.916 N/A THR 343.A OG1 ASN 346.A OD1 no hydrogen 3.506 N/A SER 344.A OG SER 54.A OG no hydrogen 2.790 N/A ASN 346.A N THR 343.A O no hydrogen 2.857 N/A VAL 347.A N SER 344.A O no hydrogen 3.374 N/A ILE 349.A N ASN 346.A O no hydrogen 3.164 N/A LEU 350.A N VAL 347.A O no hydrogen 2.914 N/A LEU 352.A N ILE 349.A O no hydrogen 3.307 N/A GLY 354.A N GLN 351.A O no hydrogen 3.124 N/A