Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bdk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLN 292.A OE1 no hydrogen 2.687 N/A SER 1.A OG SER 1.A O no hydrogen 2.348 N/A LYS 4.A N GLY 293.A O no hydrogen 3.197 N/A LYS 4.A NZ GLU 61.A OE2 no hydrogen 2.687 N/A SER 6.A N LEU 295.A O no hydrogen 2.971 N/A SER 6.A OG LYS 4.A O no hydrogen 2.634 N/A ARG 8.A NH2 TYR 35.A OH no hydrogen 3.497 N/A TRP 9.A N VAL 31.A O no hydrogen 2.677 N/A TRP 9.A NE1 VAL 16.A O no hydrogen 2.819 N/A TYR 10.A N ASP 14.A OD2 no hydrogen 2.775 N/A ASP 14.A N GLY 11.A O no hydrogen 2.642 N/A VAL 16.A N ASP 14.A OD1 no hydrogen 3.160 N/A THR 17.A N GLU 20.A OE1 no hydrogen 3.464 N/A GLU 20.A N THR 17.A OG1 no hydrogen 3.149 N/A ILE 21.A N THR 17.A O no hydrogen 2.867 N/A LYS 22.A N LEU 18.A O no hydrogen 2.627 N/A ALA 23.A N GLU 19.A O no hydrogen 3.020 N/A ILE 24.A N ILE 21.A O no hydrogen 3.456 N/A MET 27.A N ILE 24.A O no hydrogen 3.300 N/A GLN 28.A N MET 5.A O no hydrogen 3.022 N/A GLY 29.A N MET 5.A O no hydrogen 2.862 N/A ILE 30.A N GLU 61.A O no hydrogen 2.594 N/A THR 32.A OG1 TRP 9.A O no hydrogen 2.643 N/A THR 32.A OG1 ALA 33.A O no hydrogen 3.212 N/A TRP 43.A N SER 91.A OG no hydrogen 3.274 N/A ASN 47.A N PRO 44.A O no hydrogen 3.089 N/A LEU 49.A N LEU 45.A O no hydrogen 2.783 N/A GLU 50.A N GLU 46.A O no hydrogen 3.335 N/A LYS 52.A N ILE 48.A O no hydrogen 2.989 N/A LYS 52.A NZ GLU 56.A OE1 no hydrogen 3.127 N/A LYS 53.A N LEU 49.A O no hydrogen 2.746 N/A VAL 55.A N LEU 51.A O no hydrogen 3.148 N/A GLU 56.A N LYS 52.A O no hydrogen 2.904 N/A GLU 57.A N LYS 53.A O no hydrogen 3.443 N/A ALA 58.A N VAL 55.A O no hydrogen 2.978 N/A GLY 59.A N GLU 56.A O no hydrogen 3.385 N/A THR 63.A N ILE 30.A O no hydrogen 3.342 N/A ILE 65.A N VAL 102.A O no hydrogen 2.807 N/A GLU 66.A N THR 32.A O no hydrogen 3.108 N/A SER 67.A N ILE 65.A O no hydrogen 2.938 N/A ASP 73.A N HIS 71.A ND1 no hydrogen 2.889 N/A ILE 74.A N HIS 71.A O no hydrogen 2.923 N/A LYS 75.A N HIS 71.A O no hydrogen 3.080 N/A LYS 75.A NZ ASN 106.A OD1 no hydrogen 3.217 N/A LYS 75.A NZ MET 108.A O no hydrogen 2.806 N/A GLN 76.A N GLU 72.A O no hydrogen 2.691 N/A GLN 76.A NE2 GLU 72.A O no hydrogen 3.227 N/A GLY 77.A N ILE 74.A O no hydrogen 3.073 N/A LYS 78.A N ASP 73.A O no hydrogen 3.038 N/A ILE 85.A N ARG 81.A O no hydrogen 2.835 N/A GLU 86.A N ASP 82.A O no hydrogen 2.827 N/A ASN 87.A N ALA 83.A O no hydrogen 2.950 N/A TYR 88.A N LEU 84.A O no hydrogen 2.974 N/A TYR 88.A OH ILE 68.A O no hydrogen 2.585 N/A LYS 89.A N ILE 85.A O no hydrogen 2.680 N/A LYS 89.A NZ GLU 86.A OE1 no hydrogen 3.270 N/A LYS 89.A NZ GLU 86.A OE2 no hydrogen 2.478 N/A THR 90.A N GLU 86.A O no hydrogen 3.311 N/A THR 90.A OG1 ASN 87.A O no hydrogen 3.295 N/A SER 91.A OG ASN 87.A O no hydrogen 3.262 N/A ILE 92.A N TYR 88.A O no hydrogen 3.342 N/A ILE 92.A N LYS 89.A O no hydrogen 3.130 N/A ARG 93.A N LYS 89.A O no hydrogen 3.350 N/A ARG 93.A NH2 GLU 179.A OE1 no hydrogen 2.755 N/A ASN 94.A N THR 90.A O no hydrogen 2.628 N/A ASN 94.A ND2 TRP 43.A O no hydrogen 2.403 N/A VAL 95.A N SER 91.A O no hydrogen 2.999 N/A GLY 96.A N ILE 92.A O no hydrogen 3.062 N/A ALA 97.A N ARG 93.A O no hydrogen 2.766 N/A GLY 99.A N GLY 96.A O no hydrogen 3.470 N/A VAL 103.A N LYS 183.A O no hydrogen 2.905 N/A CYS 104.A N ILE 65.A O no hydrogen 3.006 N/A CYS 104.A SG GLU 66.A OE2 no hydrogen 3.703 N/A CYS 104.A SG ALA 185.A O no hydrogen 3.784 N/A CYS 104.A SG THR 223.A OG1 no hydrogen 3.569 N/A ASN 106.A ND2 ASP 112.A OD2 no hydrogen 2.698 N/A MET 108.A N ASN 106.A OD1 no hydrogen 2.727 N/A VAL 110.A N GLU 72.A OE1 no hydrogen 3.497 N/A VAL 110.A N GLU 72.A OE2 no hydrogen 3.144 N/A PHE 111.A N PRO 109.A O no hydrogen 2.852 N/A ARG 115.A NE GLU 267.A OE2 no hydrogen 3.156 N/A ARG 115.A NH1 THR 114.A O no hydrogen 3.075 N/A ARG 115.A NH1 ASP 190.A OD1 no hydrogen 2.870 N/A ARG 115.A NH2 ASP 190.A OD1 no hydrogen 3.370 N/A ARG 115.A NH2 ASP 190.A OD2 no hydrogen 3.346 N/A ARG 115.A NH2 GLU 267.A OE2 no hydrogen 2.781 N/A SER 116.A N ALA 130.A O no hydrogen 2.947 N/A ASP 117.A N ALA 130.A O no hydrogen 3.115 N/A HIS 119.A N ASP 117.A OD1 no hydrogen 3.133 N/A HIS 120.A N SER 128.A O no hydrogen 2.814 N/A HIS 120.A ND1 ASP 117.A OD2 no hydrogen 2.759 N/A LEU 122.A N SER 126.A O no hydrogen 2.940 N/A GLY 125.A N LEU 122.A O no hydrogen 2.932 N/A SER 126.A N ASP 124.A OD1 no hydrogen 3.001 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 2.672 N/A SER 128.A N HIS 120.A O no hydrogen 2.757 N/A SER 128.A OG GLN 266.A OE1 no hydrogen 3.078 N/A SER 128.A OG GLU 267.A O no hydrogen 2.522 N/A ALA 130.A N ASP 117.A O no hydrogen 2.885 N/A PHE 131.A N PHE 265.A O no hydrogen 2.902 N/A LYS 133.A N TRP 263.A O no hydrogen 3.060 N/A LYS 133.A NZ ALA 262.A O no hydrogen 2.995 N/A ASP 135.A N LEU 132.A O no hydrogen 2.994 N/A LEU 136.A N LYS 133.A O no hydrogen 2.616 N/A LYS 147.A N LYS 143.A O no hydrogen 3.474 N/A ILE 149.A N GLU 145.A O no hydrogen 2.747 N/A ILE 150.A N MET 146.A O no hydrogen 2.733 N/A GLU 151.A N LYS 147.A O no hydrogen 2.866 N/A ASN 152.A N ALA 148.A O no hydrogen 3.085 N/A ASN 152.A ND2 GLN 76.A OE1 no hydrogen 3.060 N/A TYR 153.A N ILE 149.A O no hydrogen 3.151 N/A TYR 153.A OH GLU 72.A OE1 no hydrogen 2.822 N/A ARG 154.A N ILE 150.A O no hydrogen 2.906 N/A ARG 154.A NE PHE 196.A O no hydrogen 2.982 N/A ARG 154.A NH2 PHE 196.A O no hydrogen 3.298 N/A GLN 155.A N GLU 151.A O no hydrogen 2.941 N/A ASN 156.A N ASN 152.A O no hydrogen 2.755 N/A ILE 157.A N ASN 152.A O no hydrogen 3.246 N/A SER 158.A N ASP 161.A OD1 no hydrogen 3.020 N/A LEU 162.A N SER 158.A O no hydrogen 2.971 N/A TRP 163.A N GLU 159.A O no hydrogen 2.760 N/A ALA 164.A N GLU 160.A O no hydrogen 2.893 N/A ASN 165.A N ASP 161.A O no hydrogen 2.784 N/A ASN 165.A ND2 LYS 75.A O no hydrogen 2.823 N/A LEU 166.A N LEU 162.A O no hydrogen 3.087 N/A GLU 167.A N TRP 163.A O no hydrogen 2.806 N/A TYR 168.A N ALA 164.A O no hydrogen 3.108 N/A TYR 168.A OH ASP 82.A OD1 no hydrogen 3.087 N/A PHE 169.A N ASN 165.A O no hydrogen 3.185 N/A ILE 170.A N LEU 166.A O no hydrogen 2.707 N/A LYS 171.A N GLU 167.A O no hydrogen 2.949 N/A LYS 171.A NZ GLU 167.A O no hydrogen 3.111 N/A LYS 171.A NZ GLU 167.A OE2 no hydrogen 3.062 N/A ALA 172.A N TYR 168.A O no hydrogen 3.220 N/A ILE 173.A N PHE 169.A O no hydrogen 3.116 N/A ILE 173.A N ILE 170.A O no hydrogen 2.937 N/A LEU 174.A N ILE 170.A O no hydrogen 3.029 N/A ALA 177.A N ILE 173.A O no hydrogen 3.001 N/A ALA 177.A N LEU 174.A O no hydrogen 2.694 N/A GLU 178.A N LEU 174.A O no hydrogen 2.684 N/A GLU 179.A N PRO 175.A O no hydrogen 2.657 N/A ALA 180.A N ALA 177.A O no hydrogen 3.273 N/A LYS 183.A N PRO 101.A O no hydrogen 2.842 N/A MET 184.A N HIS 219.A O no hydrogen 2.894 N/A ALA 185.A N VAL 103.A O no hydrogen 2.925 N/A ILE 186.A N GLY 221.A O no hydrogen 3.004 N/A HIS 187.A N TYR 105.A O no hydrogen 2.759 N/A HIS 187.A ND1 PRO 188.A O no hydrogen 3.201 N/A ASP 189.A N ILE 202.A O no hydrogen 2.709 N/A LEU 198.A N ILE 195.A O no hydrogen 2.719 N/A ARG 200.A NH1 PRO 109.A O no hydrogen 3.335 N/A ARG 200.A NH2 PRO 109.A O no hydrogen 3.081 N/A ARG 200.A NH2 PRO 199.A O no hydrogen 3.103 N/A ILE 202.A N ASP 189.A OD1 no hydrogen 3.060 N/A GLN 205.A NE2 GLU 209.A OE2 no hydrogen 3.198 N/A VAL 208.A N GLY 204.A O no hydrogen 2.994 N/A GLU 209.A N GLN 205.A O no hydrogen 3.111 N/A ARG 210.A N GLU 206.A O no hydrogen 2.969 N/A ARG 210.A NH2 GLU 160.A OE1 no hydrogen 3.079 N/A PHE 211.A N ALA 207.A O no hydrogen 2.653 N/A LEU 212.A N VAL 208.A O no hydrogen 2.871 N/A ASN 213.A N GLU 209.A O no hydrogen 3.011 N/A LEU 214.A N ARG 210.A O no hydrogen 3.216 N/A LEU 214.A N PHE 211.A O no hydrogen 3.208 N/A TYR 215.A N LEU 212.A O no hydrogen 3.194 N/A TYR 215.A OH GLU 178.A OE2 no hydrogen 2.697 N/A SER 217.A OG GLU 178.A OE1 no hydrogen 2.748 N/A HIS 219.A N SER 217.A OG no hydrogen 3.411 N/A ASN 220.A N SER 217.A O no hydrogen 2.687 N/A ASN 220.A ND2 PHE 211.A O no hydrogen 3.161 N/A ASN 220.A ND2 LEU 212.A O no hydrogen 3.044 N/A ASN 220.A ND2 TYR 215.A O no hydrogen 3.143 N/A GLY 221.A N MET 184.A O no hydrogen 2.915 N/A ILE 222.A N ARG 249.A O no hydrogen 3.208 N/A THR 223.A N ILE 186.A O no hydrogen 3.103 N/A THR 223.A OG1 ALA 185.A O no hydrogen 3.197 N/A MET 224.A N PHE 252.A O no hydrogen 3.194 N/A CYS 225.A N THR 223.A O no hydrogen 2.944 N/A CYS 225.A SG SER 228.A OG no hydrogen 3.479 N/A CYS 225.A SG ASP 298.A OD2 no hydrogen 3.903 N/A TYR 229.A N CYS 225.A O no hydrogen 3.201 N/A ALA 230.A N VAL 226.A O no hydrogen 2.847 N/A SER 231.A N SER 228.A O no hydrogen 3.387 N/A SER 231.A OG GLY 227.A O no hydrogen 2.637 N/A SER 231.A OG SER 228.A O no hydrogen 3.419 N/A ASP 232.A N TYR 229.A O no hydrogen 3.416 N/A LYS 234.A N ASP 232.A OD1 no hydrogen 2.881 N/A LYS 234.A NZ THR 203.A O no hydrogen 3.546 N/A LYS 234.A NZ ASN 235.A OD1 no hydrogen 2.711 N/A ASN 235.A N ASP 232.A O no hydrogen 2.798 N/A ASN 235.A ND2 THR 203.A O no hydrogen 2.999 N/A ASN 235.A ND2 TYR 229.A O no hydrogen 3.004 N/A ALA 239.A N ASP 236.A OD1 no hydrogen 2.785 N/A MET 240.A N ASP 236.A O no hydrogen 2.796 N/A THR 241.A N VAL 237.A O no hydrogen 2.613 N/A THR 241.A OG1 VAL 237.A O no hydrogen 2.714 N/A GLU 242.A N LEU 238.A O no hydrogen 3.078 N/A TYR 243.A N ALA 239.A O no hydrogen 2.818 N/A ALA 244.A N MET 240.A O no hydrogen 3.217 N/A LEU 245.A N THR 241.A O no hydrogen 3.083 N/A LYS 246.A N GLU 242.A O no hydrogen 2.985 N/A ARG 247.A NH1 ASN 213.A OD1 no hydrogen 3.035 N/A ARG 247.A NH2 ASN 213.A OD1 no hydrogen 2.938 N/A ARG 247.A NH2 TYR 243.A OH no hydrogen 2.895 N/A ASN 248.A N LEU 245.A O no hydrogen 2.715 N/A ASN 248.A ND2 GLU 218.A OE2 no hydrogen 3.256 N/A ARG 249.A N ALA 244.A O no hydrogen 2.913 N/A ARG 249.A NE SER 217.A O no hydrogen 3.070 N/A ARG 249.A NH1 ASN 248.A O no hydrogen 3.428 N/A ASN 251.A N ILE 222.A O no hydrogen 3.262 N/A HIS 254.A N MET 224.A O no hydrogen 3.235 N/A HIS 254.A ND1 ASP 298.A OD2 no hydrogen 1.987 N/A HIS 254.A NE2 GLU 66.A OE1 no hydrogen 3.342 N/A THR 255.A N ARG 296.A O no hydrogen 3.176 N/A ARG 256.A NH2 SER 228.A OG no hydrogen 3.165 N/A ASN 257.A ND2 ALA 269.A O no hydrogen 3.351 N/A ASN 257.A ND2 HIS 270.A O no hydrogen 3.102 N/A ASN 257.A ND2 LEU 271.A O no hydrogen 2.887 N/A ASN 257.A ND2 SER 272.A O no hydrogen 3.517 N/A THR 259.A N GLN 266.A O no hydrogen 2.848 N/A THR 259.A OG1 ASP 276.A OD1 no hydrogen 2.685 N/A THR 259.A OG1 ASP 276.A OD2 no hydrogen 3.181 N/A ALA 260.A N ASP 276.A OD2 no hydrogen 2.862 N/A GLY 261.A N GLY 264.A O no hydrogen 2.814 N/A GLY 264.A N GLY 261.A O no hydrogen 3.299 N/A PHE 265.A N PHE 131.A O no hydrogen 2.868 N/A GLN 266.A N THR 259.A O no hydrogen 2.893 N/A GLU 267.A N LEU 129.A O no hydrogen 2.982 N/A THR 268.A N ASN 257.A O no hydrogen 2.888 N/A THR 268.A OG1 ALA 269.A O no hydrogen 2.968 N/A SER 272.A N TYR 324.A OH no hydrogen 3.283 N/A SER 272.A OG ILE 277.A O no hydrogen 3.490 N/A SER 272.A OG TYR 324.A OH no hydrogen 3.264 N/A ALA 274.A N LEU 271.A O no hydrogen 3.061 N/A GLY 275.A N SER 272.A O no hydrogen 2.784 N/A ASP 276.A N VAL 258.A O no hydrogen 2.829 N/A ILE 277.A N ASN 257.A OD1 no hydrogen 3.387 N/A MET 279.A N SER 272.A OG no hydrogen 3.097 N/A ASN 280.A N ASP 278.A OD2 no hydrogen 3.128 N/A ALA 281.A N ASP 278.A OD2 no hydrogen 3.325 N/A VAL 282.A N ASP 278.A O no hydrogen 3.202 N/A VAL 283.A N MET 279.A O no hydrogen 2.987 N/A LYS 284.A N ASN 280.A O no hydrogen 2.750 N/A LYS 284.A NZ ASP 288.A OD2 no hydrogen 3.293 N/A LEU 285.A N ALA 281.A O no hydrogen 3.023 N/A LEU 286.A N VAL 282.A O no hydrogen 3.177 N/A VAL 287.A N VAL 283.A O no hydrogen 2.923 N/A ASP 288.A N LYS 284.A O no hydrogen 2.700 N/A TYR 289.A N LEU 285.A O no hydrogen 2.880 N/A TYR 289.A OH GLU 242.A OE2 no hydrogen 2.608 N/A ASP 290.A N VAL 287.A O no hydrogen 2.644 N/A TRP 291.A N LEU 286.A O no hydrogen 2.883 N/A TRP 291.A NE1 ILE 250.A O no hydrogen 2.642 N/A ARG 296.A N MET 253.A O no hydrogen 3.116 N/A HIS 299.A N HIS 299.A ND1 no hydrogen 2.769 N/A GLY 300.A N GLY 312.A O no hydrogen 2.929 N/A ARG 301.A N ASP 317.A OD2 no hydrogen 2.668 N/A ARG 301.A NE SER 126.A OG no hydrogen 3.171 N/A ARG 301.A NH1 ASP 317.A OD1 no hydrogen 2.846 N/A ARG 301.A NH2 SER 126.A OG no hydrogen 3.308 N/A ARG 302.A N THR 127.A O no hydrogen 2.827 N/A ARG 302.A NE HIS 119.A ND1 no hydrogen 3.244 N/A ARG 302.A NH1 ASP 306.A O no hydrogen 2.831 N/A ARG 302.A NH1 THR 308.A O no hydrogen 2.747 N/A ARG 302.A NH2 THR 308.A O no hydrogen 3.001 N/A ASP 306.A N ILE 303.A O no hydrogen 3.448 N/A GLN 307.A NE2 GLY 305.A O no hydrogen 3.668 N/A THR 308.A OG1 ASP 306.A OD1 no hydrogen 2.478 N/A TYR 313.A N THR 310.A O no hydrogen 3.143 N/A ARG 318.A NE TYR 313.A O no hydrogen 2.959 N/A ARG 318.A NE GLY 314.A O no hydrogen 2.726 N/A ARG 318.A NH1 ARG 8.A O no hydrogen 3.529 N/A ARG 318.A NH2 TYR 313.A O no hydrogen 2.715 N/A ALA 319.A N LEU 315.A O no hydrogen 2.898 N/A LEU 320.A N TYR 316.A O no hydrogen 2.841 N/A GLY 321.A N ASP 317.A O no hydrogen 2.888 N/A ALA 322.A N ARG 318.A O no hydrogen 3.050 N/A THR 323.A N ALA 319.A O no hydrogen 3.040 N/A THR 323.A OG1 LEU 320.A O no hydrogen 3.355 N/A TYR 324.A N LEU 320.A O no hydrogen 3.227 N/A PHE 325.A N GLY 321.A O no hydrogen 2.875 N/A ASN 326.A N ALA 322.A O no hydrogen 2.819 N/A GLY 327.A N THR 323.A O no hydrogen 3.080 N/A LEU 328.A N TYR 324.A O no hydrogen 2.951 N/A TYR 329.A N PHE 325.A O no hydrogen 2.730 N/A TYR 329.A OH SER 1.A O no hydrogen 3.083 N/A GLU 330.A N ASN 326.A O no hydrogen 2.991 N/A ALA 331.A N GLY 327.A O no hydrogen 3.181 N/A ASN 332.A N LEU 328.A O no hydrogen 3.045 N/A ASN 332.A ND2 LEU 328.A O no hydrogen 3.256 N/A MET 333.A N TYR 329.A O no hydrogen 2.828 N/A ARG 334.A N GLU 330.A O no hydrogen 3.104 N/A ALA 335.A N ALA 331.A O no hydrogen 3.005 N/A ALA 336.A N ASN 332.A O no hydrogen 2.931 N/A GLY 337.A N MET 333.A O no hydrogen 2.990 N/A LYS 338.A NZ ASP 290.A OD2 no hydrogen 3.077 N/A LYS 345.A NZ GLY 343.A O no hydrogen 3.046 N/A