Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uku_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH SER 4.A OG no hydrogen 2.925 N/A TYR 2.A OH ASP 320.A OD2 no hydrogen 3.213 N/A HIS 3.A N MET 323.A O no hydrogen 3.147 N/A SER 4.A OG TYR 2.A OH no hydrogen 2.925 N/A SER 4.A OG LEU 6.A O no hydrogen 3.324 N/A PHE 5.A N GLY 321.A O no hydrogen 3.110 N/A ILE 10.A N GLY 318.A O no hydrogen 3.030 N/A SER 11.A N CYS 25.A O no hydrogen 2.738 N/A SER 11.A OG CYS 25.A O no hydrogen 3.463 N/A HIS 13.A ND1 THR 317.A OG1 no hydrogen 3.055 N/A ALA 14.A N ALA 23.A O no hydrogen 2.941 N/A ASN 16.A N GLN 21.A O no hydrogen 3.353 N/A LYS 17.A NZ ASP 62.A OD1 no hydrogen 2.574 N/A ARG 19.A N ASN 16.A OD1 no hydrogen 2.815 N/A ARG 19.A NE LEU 304.A O no hydrogen 2.763 N/A ARG 19.A NH1 ASN 16.A O no hydrogen 2.813 N/A ARG 19.A NH2 VAL 303.A O no hydrogen 2.803 N/A ARG 19.A NH2 LEU 304.A O no hydrogen 3.530 N/A THR 20.A N ASN 16.A OD1 no hydrogen 2.872 N/A GLN 21.A N ASN 16.A OD1 no hydrogen 3.152 N/A ILE 22.A N TYR 34.A O no hydrogen 2.817 N/A ALA 23.A N ALA 14.A O no hydrogen 3.136 N/A ILE 24.A N HIS 32.A O no hydrogen 2.653 N/A CYS 25.A N CYS 12.A O no hydrogen 3.248 N/A CYS 25.A SG SER 11.A OG no hydrogen 3.464 N/A CYS 25.A SG ASN 28.A O no hydrogen 3.345 N/A CYS 25.A SG GLU 30.A O no hydrogen 3.379 N/A CYS 25.A SG VAL 54.A O no hydrogen 3.700 N/A ASN 27.A N CYS 25.A O no hydrogen 2.878 N/A VAL 31.A N LEU 47.A O no hydrogen 3.188 N/A HIS 32.A N ILE 24.A O no hydrogen 2.499 N/A ILE 33.A N HIS 45.A O no hydrogen 2.904 N/A TYR 34.A N ILE 22.A O no hydrogen 2.665 N/A GLU 35.A N VAL 42.A O no hydrogen 3.115 N/A SER 37.A N LYS 40.A O no hydrogen 2.761 N/A LYS 40.A N SER 37.A O no hydrogen 3.087 N/A VAL 42.A N GLU 35.A O no hydrogen 2.878 N/A VAL 44.A N ILE 33.A O no hydrogen 2.859 N/A HIS 45.A N ILE 33.A O no hydrogen 3.315 N/A LEU 47.A N VAL 31.A O no hydrogen 2.851 N/A LYS 48.A NZ GLU 46.A OE1 no hydrogen 3.247 N/A HIS 50.A ND1 ASP 72.A OD1 no hydrogen 3.105 N/A HIS 50.A ND1 ASP 72.A OD2 no hydrogen 3.158 N/A HIS 50.A NE2 THR 68.A O no hydrogen 3.077 N/A HIS 50.A NE2 THR 68.A OG1 no hydrogen 2.993 N/A ASN 51.A N ASP 72.A OD2 no hydrogen 3.054 N/A GLN 53.A N THR 71.A OG1 no hydrogen 2.755 N/A THR 55.A N CYS 69.A O no hydrogen 2.615 N/A THR 55.A OG1 CYS 69.A O no hydrogen 2.380 N/A THR 55.A OG1 ALA 98.A O no hydrogen 2.655 N/A ASP 58.A N VAL 67.A O no hydrogen 3.159 N/A ALA 60.A N ARG 65.A O no hydrogen 2.734 N/A ASP 62.A N GLU 107.A OE2 no hydrogen 2.910 N/A SER 63.A N GLU 107.A OE1 no hydrogen 2.628 N/A SER 63.A OG GLU 107.A OE1 no hydrogen 2.425 N/A ARG 65.A NE SER 63.A OG no hydrogen 3.183 N/A ARG 65.A NH2 SER 63.A OG no hydrogen 3.410 N/A ARG 65.A NH2 GLU 107.A O no hydrogen 2.716 N/A ILE 66.A N TRP 78.A O no hydrogen 2.977 N/A VAL 67.A N ASP 58.A O no hydrogen 3.070 N/A THR 68.A N TYR 76.A O no hydrogen 2.974 N/A THR 68.A OG1 HIS 50.A NE2 no hydrogen 2.993 N/A CYS 69.A N GLY 56.A O no hydrogen 3.107 N/A CYS 69.A SG THR 55.A OG1 no hydrogen 3.437 N/A GLY 70.A N ASN 74.A O no hydrogen 3.251 N/A ASP 72.A N ASP 72.A OD1 no hydrogen 2.491 N/A ASN 74.A ND2 ASP 72.A OD2 no hydrogen 3.304 N/A TYR 76.A N THR 68.A O no hydrogen 2.985 N/A VAL 77.A N THR 88.A O no hydrogen 2.976 N/A TRP 78.A N ILE 66.A O no hydrogen 2.525 N/A TRP 78.A NE1 THR 68.A OG1 no hydrogen 2.769 N/A THR 79.A N LYS 86.A O no hydrogen 3.046 N/A LYS 81.A N THR 84.A O no hydrogen 2.915 N/A GLY 82.A N LEU 80.A O no hydrogen 3.003 N/A LYS 86.A N THR 79.A O no hydrogen 2.986 N/A VAL 90.A N ALA 75.A O no hydrogen 2.895 N/A ARG 93.A NH2 CYS 133.A O no hydrogen 2.794 N/A ASN 95.A N SER 116.A OG no hydrogen 2.953 N/A ARG 96.A NH1 ASN 95.A O no hydrogen 2.803 N/A ALA 98.A N GLY 70.A O no hydrogen 2.959 N/A ARG 99.A N GLY 113.A O no hydrogen 3.071 N/A ARG 99.A NH1 ARG 99.A O no hydrogen 3.408 N/A CYS 100.A SG VAL 144.A O no hydrogen 3.969 N/A CYS 100.A SG LEU 145.A O no hydrogen 3.003 N/A ARG 102.A N ALA 111.A O no hydrogen 3.150 N/A ARG 102.A NH1 VAL 101.A O no hydrogen 2.788 N/A TRP 103.A N ASP 58.A OD2 no hydrogen 2.586 N/A ALA 104.A N LYS 109.A O no hydrogen 2.701 N/A ASN 106.A N SER 153.A OG no hydrogen 2.729 N/A GLU 107.A N ALA 104.A O no hydrogen 2.579 N/A LYS 109.A NZ SER 153.A O no hydrogen 2.898 N/A LYS 109.A NZ ALA 170.A O no hydrogen 2.771 N/A LYS 109.A NZ GLU 176.A OE1 no hydrogen 2.671 N/A PHE 110.A N CYS 122.A O no hydrogen 3.352 N/A ALA 111.A N ARG 102.A O no hydrogen 2.696 N/A VAL 112.A N SER 120.A O no hydrogen 2.917 N/A SER 114.A OG VAL 118.A O no hydrogen 3.308 N/A GLY 115.A N ALA 97.A O no hydrogen 3.037 N/A SER 116.A N SER 114.A OG no hydrogen 3.039 N/A SER 116.A OG ASN 95.A OD1 no hydrogen 3.151 N/A ILE 119.A N ILE 136.A O no hydrogen 3.124 N/A SER 120.A N VAL 112.A O no hydrogen 3.304 N/A SER 120.A OG LEU 92.A O no hydrogen 3.395 N/A ILE 121.A N LYS 134.A O no hydrogen 3.072 N/A CYS 122.A N PHE 110.A O no hydrogen 3.182 N/A TYR 123.A N VAL 132.A O no hydrogen 3.111 N/A TYR 123.A OH GLU 174.A OE1 no hydrogen 2.743 N/A GLU 125.A N TRP 130.A O no hydrogen 2.981 N/A ASN 128.A N GLU 125.A O no hydrogen 3.143 N/A ASP 129.A N GLU 125.A O no hydrogen 2.819 N/A TRP 130.A N GLU 125.A O no hydrogen 3.374 N/A VAL 132.A N TYR 123.A O no hydrogen 3.086 N/A CYS 133.A SG ILE 91.A O no hydrogen 3.371 N/A CYS 133.A SG HIS 135.A NE2 no hydrogen 3.933 N/A LYS 134.A N ILE 121.A O no hydrogen 3.070 N/A HIS 135.A NE2 LEU 92.A O no hydrogen 2.798 N/A ILE 136.A N ILE 119.A O no hydrogen 3.094 N/A LYS 137.A NZ ARG 117.A O no hydrogen 3.422 N/A LYS 137.A NZ ILE 140.A O no hydrogen 2.875 N/A ILE 140.A N LYS 137.A O no hydrogen 2.882 N/A ARG 141.A N ASP 162.A OD2 no hydrogen 2.922 N/A VAL 144.A N SER 114.A O no hydrogen 2.852 N/A LEU 145.A N GLY 159.A O no hydrogen 2.970 N/A SER 146.A N GLY 159.A O no hydrogen 3.308 N/A SER 146.A OG HIS 205.A O no hydrogen 3.256 N/A ASP 148.A N ALA 157.A O no hydrogen 3.220 N/A TRP 149.A NE1 ARG 102.A O no hydrogen 3.068 N/A HIS 150.A N LEU 155.A O no hydrogen 2.992 N/A ASN 152.A N HIS 150.A ND1 no hydrogen 2.703 N/A SER 153.A N HIS 150.A O no hydrogen 2.933 N/A VAL 154.A N ASN 152.A OD1 no hydrogen 2.793 N/A LEU 155.A N ASN 152.A OD1 no hydrogen 3.085 N/A LEU 156.A N PHE 168.A O no hydrogen 3.126 N/A ALA 157.A N ASP 148.A O no hydrogen 2.938 N/A ALA 158.A N ARG 166.A O no hydrogen 2.654 N/A GLY 159.A N SER 146.A O no hydrogen 2.937 N/A SER 160.A N LYS 164.A O no hydrogen 3.136 N/A SER 160.A OG ASP 162.A OD1 no hydrogen 2.478 N/A CYS 161.A N THR 143.A O no hydrogen 2.782 N/A CYS 161.A SG THR 143.A O no hydrogen 3.866 N/A PHE 163.A N SER 160.A O no hydrogen 3.100 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 3.182 N/A LYS 164.A NZ SER 197.A O no hydrogen 3.201 N/A LYS 164.A NZ SER 199.A O no hydrogen 2.788 N/A CYS 165.A N SER 197.A OG no hydrogen 2.524 N/A ARG 166.A N ALA 158.A O no hydrogen 2.691 N/A ARG 166.A NE GLU 196.A OE2 no hydrogen 2.687 N/A ARG 166.A NH1 ASP 162.A OD2 no hydrogen 3.428 N/A ARG 166.A NH2 ASP 162.A OD2 no hydrogen 3.102 N/A ILE 167.A N PHE 195.A O no hydrogen 2.944 N/A PHE 168.A N LEU 156.A O no hydrogen 2.774 N/A SER 169.A OG MET 188.A O no hydrogen 3.206 N/A SER 169.A OG PRO 189.A O no hydrogen 3.302 N/A ALA 170.A N VAL 154.A O no hydrogen 2.786 N/A TYR 171.A N SER 169.A OG no hydrogen 3.104 N/A ILE 172.A N GLU 176.A OE1 no hydrogen 3.457 N/A VAL 175.A N ILE 172.A O no hydrogen 3.402 N/A THR 182.A N GLY 185.A O no hydrogen 3.344 N/A TRP 184.A NE1 GLY 213.A O no hydrogen 2.992 N/A GLY 185.A N THR 182.A O no hydrogen 2.558 N/A GLY 191.A N SER 169.A O no hydrogen 2.809 N/A GLU 192.A N PRO 189.A O no hydrogen 2.936 N/A MET 194.A N ILE 167.A O no hydrogen 2.997 N/A PHE 195.A N ILE 167.A O no hydrogen 3.355 N/A SER 197.A N CYS 165.A O no hydrogen 2.863 N/A SER 197.A OG CYS 165.A O no hydrogen 2.960 N/A CYS 201.A N SER 199.A OG no hydrogen 3.358 N/A VAL 204.A N SER 160.A O no hydrogen 3.479 N/A HIS 205.A N VAL 219.A O no hydrogen 2.906 N/A HIS 205.A NE2 HIS 221.A ND1 no hydrogen 2.735 N/A CYS 208.A N ALA 217.A O no hydrogen 2.637 N/A CYS 208.A SG ASP 148.A OD2 no hydrogen 3.580 N/A CYS 208.A SG PHE 209.A O no hydrogen 3.608 N/A CYS 208.A SG THR 250.A OG1 no hydrogen 3.555 N/A PHE 209.A N ASP 148.A OD2 no hydrogen 2.440 N/A SER 210.A N ARG 215.A O no hydrogen 2.681 N/A SER 210.A OG ASN 212.A OD1 no hydrogen 2.809 N/A SER 210.A OG ARG 215.A O no hydrogen 3.436 N/A ASN 212.A N GLU 254.A OE2 no hydrogen 2.974 N/A ASN 212.A ND2 SER 214.A OG no hydrogen 2.805 N/A GLY 213.A N SER 210.A O no hydrogen 3.053 N/A SER 214.A OG ASP 231.A OD2 no hydrogen 3.521 N/A ARG 215.A N SER 210.A OG no hydrogen 3.143 N/A ARG 215.A NE ASP 229.A OD2 no hydrogen 3.275 N/A ARG 215.A NH1 GLU 254.A O no hydrogen 2.589 N/A ARG 215.A NH1 SER 255.A OG no hydrogen 3.135 N/A VAL 216.A N ALA 228.A O no hydrogen 3.221 N/A ALA 217.A N CYS 208.A O no hydrogen 2.832 N/A TRP 218.A N CYS 226.A O no hydrogen 2.856 N/A VAL 219.A N GLY 206.A O no hydrogen 2.901 N/A SER 220.A N THR 224.A O no hydrogen 3.238 N/A SER 220.A OG TRP 203.A O no hydrogen 3.329 N/A HIS 221.A N TRP 203.A O no hydrogen 2.814 N/A HIS 221.A ND1 HIS 205.A NE2 no hydrogen 2.735 N/A SER 223.A OG THR 243.A O no hydrogen 2.503 N/A THR 224.A OG1 ASP 222.A OD1 no hydrogen 2.549 N/A VAL 225.A N LEU 239.A O no hydrogen 3.145 N/A CYS 226.A N TRP 218.A O no hydrogen 2.947 N/A CYS 226.A SG THR 238.A OG1 no hydrogen 3.139 N/A LEU 227.A N ALA 237.A O no hydrogen 3.073 N/A ALA 228.A N VAL 216.A O no hydrogen 2.820 N/A ASP 229.A N ALA 235.A O no hydrogen 3.150 N/A ALA 230.A N SER 214.A O no hydrogen 2.877 N/A ASP 231.A N ASP 229.A OD1 no hydrogen 3.138 N/A LYS 232.A N ASP 229.A O no hydrogen 3.163 N/A LYS 232.A NZ SER 273.A O no hydrogen 3.446 N/A ALA 235.A N LYS 232.A O no hydrogen 3.397 N/A ALA 237.A N LEU 227.A O no hydrogen 2.721 N/A LEU 239.A N VAL 225.A O no hydrogen 3.020 N/A SER 241.A N SER 223.A O no hydrogen 2.672 N/A SER 241.A OG THR 243.A OG1 no hydrogen 3.332 N/A THR 243.A N SER 241.A OG no hydrogen 3.094 N/A THR 243.A OG1 SER 241.A OG no hydrogen 3.332 N/A THR 243.A OG1 ASP 263.A OD2 no hydrogen 2.642 N/A LEU 247.A N ALA 260.A O no hydrogen 3.046 N/A ALA 248.A N ALA 260.A O no hydrogen 3.277 N/A THR 250.A N VAL 258.A O no hydrogen 3.257 N/A ILE 252.A N SER 256.A O no hydrogen 2.576 N/A SER 255.A N THR 253.A OG1 no hydrogen 3.052 N/A SER 255.A OG TYR 271.A O no hydrogen 3.170 N/A LEU 257.A N PHE 269.A O no hydrogen 2.803 N/A VAL 258.A N THR 250.A O no hydrogen 2.970 N/A ALA 259.A N VAL 267.A O no hydrogen 3.147 N/A HIS 262.A N PRO 245.A O no hydrogen 3.116 N/A HIS 262.A ND1 SER 297.A OG no hydrogen 2.465 N/A CYS 264.A N GLY 261.A O no hydrogen 3.124 N/A CYS 264.A SG HIS 262.A O no hydrogen 3.702 N/A CYS 264.A SG LYS 295.A O no hydrogen 3.796 N/A VAL 267.A N ALA 259.A O no hydrogen 3.053 N/A LEU 268.A N GLY 282.A O no hydrogen 3.051 N/A PHE 269.A N LEU 257.A O no hydrogen 2.676 N/A THR 270.A N SER 279.A O no hydrogen 3.061 N/A TYR 271.A N SER 255.A O no hydrogen 2.782 N/A TYR 271.A OH ASP 229.A OD2 no hydrogen 3.193 N/A ASP 272.A N LYS 277.A O no hydrogen 3.338 N/A SER 273.A OG ASP 229.A OD2 no hydrogen 3.511 N/A ALA 275.A N ASP 272.A OD1 no hydrogen 2.756 N/A GLY 276.A N SER 273.A O no hydrogen 3.327 N/A SER 279.A N THR 270.A O no hydrogen 3.267 N/A SER 279.A OG LEU 278.A O no hydrogen 2.825 N/A GLY 281.A N LEU 268.A O no hydrogen 2.426 N/A ARG 283.A NH1 ASP 285.A O no hydrogen 2.423 N/A ARG 283.A NH2 ASP 291.A OD1 no hydrogen 3.341 N/A LEU 284.A N PRO 266.A O no hydrogen 3.003 N/A SER 292.A OG HIS 294.A O no hydrogen 2.437 N/A LEU 293.A N ASP 285.A OD2 no hydrogen 2.613 N/A HIS 294.A ND1 ASP 320.A OD1 no hydrogen 3.289 N/A HIS 294.A ND1 ASP 320.A OD2 no hydrogen 3.104 N/A HIS 294.A NE2 THR 316.A OG1 no hydrogen 2.937 N/A LYS 295.A N ASP 320.A OD2 no hydrogen 2.782 N/A LYS 295.A NZ SER 292.A O no hydrogen 2.951 N/A SER 297.A N ASN 296.A OD1 no hydrogen 3.102 N/A SER 297.A OG HIS 262.A ND1 no hydrogen 2.465 N/A VAL 298.A N GLY 261.A O no hydrogen 2.706 N/A SER 299.A N THR 317.A O no hydrogen 2.957 N/A SER 302.A N CYS 315.A O no hydrogen 2.896 N/A SER 302.A OG HIS 13.A NE2 no hydrogen 3.422 N/A LEU 304.A N GLN 313.A O no hydrogen 2.561 N/A SER 305.A N GLN 313.A O no hydrogen 3.067 N/A SER 305.A OG SER 312.A OG no hydrogen 2.522 N/A LYS 308.A NZ ASP 148.A OD2 no hydrogen 3.268 N/A LYS 308.A NZ PHE 209.A O no hydrogen 2.729 N/A LYS 310.A N GLY 306.A O no hydrogen 3.014 N/A CYS 311.A N ILE 252.A O no hydrogen 2.676 N/A SER 312.A N SER 305.A O no hydrogen 2.928 N/A SER 312.A OG SER 305.A O no hydrogen 2.887 N/A GLN 313.A N SER 305.A O no hydrogen 3.284 N/A GLN 313.A NE2 ASP 327.A OD2 no hydrogen 2.568 N/A CYS 315.A N SER 302.A O no hydrogen 2.821 N/A CYS 315.A SG HIS 13.A NE2 no hydrogen 3.681 N/A THR 316.A N SER 324.A O no hydrogen 3.363 N/A THR 316.A OG1 HIS 294.A NE2 no hydrogen 2.937 N/A THR 317.A N GLN 300.A O no hydrogen 3.076 N/A THR 317.A OG1 HIS 13.A ND1 no hydrogen 3.055 N/A GLY 318.A N GLY 322.A O no hydrogen 3.296 N/A MET 319.A N SER 297.A O no hydrogen 2.843 N/A GLY 321.A N GLY 318.A O no hydrogen 3.406 N/A GLY 322.A N ASP 320.A OD1 no hydrogen 2.512 N/A MET 323.A N HIS 3.A O no hydrogen 2.915 N/A SER 324.A N THR 316.A O no hydrogen 2.762 N/A SER 324.A OG HIS 294.A NE2 no hydrogen 2.952 N/A ILE 325.A N ALA 1.A O no hydrogen 2.919 N/A TRP 326.A N PHE 314.A O no hydrogen 2.788 N/A VAL 328.A N SER 312.A O no hydrogen 2.587 N/A LEU 331.A N ASP 327.A O no hydrogen 3.016 N/A GLU 332.A N ARG 329.A O no hydrogen 2.786 N/A SER 333.A N ARG 329.A O no hydrogen 3.170 N/A SER 333.A N SER 330.A O no hydrogen 3.168 N/A SER 333.A OG ARG 329.A O no hydrogen 3.548 N/A ALA 334.A N SER 330.A O no hydrogen 3.029 N/A LEU 335.A N LEU 331.A O no hydrogen 3.269 N/A LEU 338.A N LEU 335.A O no hydrogen 2.937 N/A VAL 341.A N SER 256.A OG no hydrogen 2.537 N/A