Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8oku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 MET 1.A O no hydrogen 3.017 N/A ARG 16.A NE GLU 21.A OE1 no hydrogen 2.964 N/A ARG 16.A NH1 GLU 21.A OE1 no hydrogen 3.349 N/A ILE 17.A N TYR 20.A O no hydrogen 2.815 N/A TYR 20.A N ILE 17.A O no hydrogen 3.254 N/A TYR 20.A OH GLN 84.A OE1 no hydrogen 2.926 N/A GLU 21.A N THR 38.A O no hydrogen 3.002 N/A ILE 22.A N ALA 15.A O no hydrogen 2.996 N/A ASP 23.A N ARG 36.A O no hydrogen 2.722 N/A ARG 24.A NE THR 25.A O no hydrogen 3.003 N/A ARG 24.A NH2 THR 25.A O no hydrogen 2.902 N/A ILE 26.A N VAL 34.A O no hydrogen 2.652 N/A GLY 27.A N VAL 34.A O no hydrogen 3.086 N/A GLY 29.A N ALA 32.A O no hydrogen 2.812 N/A VAL 33.A N ILE 50.A O no hydrogen 3.260 N/A VAL 34.A N GLY 27.A O no hydrogen 2.922 N/A LYS 35.A N ILE 48.A O no hydrogen 2.990 N/A ARG 36.A N ARG 24.A O no hydrogen 2.728 N/A ARG 36.A NE ASP 23.A OD2 no hydrogen 3.442 N/A ARG 36.A NH2 TYR 98.A OH no hydrogen 2.886 N/A ALA 37.A N VAL 46.A O no hydrogen 2.714 N/A THR 38.A N GLU 21.A O no hydrogen 3.018 N/A THR 38.A OG1 ASP 23.A OD2 no hydrogen 3.567 N/A HIS 39.A N ALA 44.A O no hydrogen 2.810 N/A LEU 40.A N TYR 19.A O no hydrogen 2.680 N/A THR 42.A OG1 HIS 39.A ND1 no hydrogen 3.291 N/A LYS 43.A N HIS 39.A O no hydrogen 2.755 N/A LYS 45.A NZ THR 38.A OG1 no hydrogen 3.291 N/A VAL 46.A N ALA 37.A O no hydrogen 2.854 N/A ALA 47.A N THR 96.A O no hydrogen 2.876 N/A ILE 48.A N LYS 35.A O no hydrogen 2.923 N/A LYS 49.A N LEU 94.A O no hydrogen 2.771 N/A LYS 49.A NZ GLU 67.A OE2 no hydrogen 2.814 N/A ILE 50.A N VAL 33.A O no hydrogen 2.854 N/A ILE 51.A N ILE 92.A O no hydrogen 2.875 N/A LYS 53.A N ARG 90.A O no hydrogen 3.363 N/A LYS 53.A NZ GLU 87.A OE1 no hydrogen 2.747 N/A LYS 53.A NZ THR 88.A O no hydrogen 2.983 N/A THR 54.A OG1 ASP 52.A OD2 no hydrogen 2.638 N/A GLN 55.A NE2 THR 54.A OG1 no hydrogen 2.648 N/A LEU 56.A N LYS 53.A O no hydrogen 2.881 N/A ASN 60.A N ASP 57.A OD1 no hydrogen 2.922 N/A LEU 61.A N ASP 57.A O no hydrogen 3.384 N/A LYS 62.A N GLU 58.A O no hydrogen 3.322 N/A LYS 62.A NZ GLU 58.A OE2 no hydrogen 2.708 N/A LYS 63.A N GLU 59.A O no hydrogen 3.106 N/A ILE 64.A N ASN 60.A O no hydrogen 2.995 N/A PHE 65.A N LEU 61.A O no hydrogen 3.097 N/A ARG 66.A N LYS 62.A O no hydrogen 2.932 N/A GLU 67.A N LYS 63.A O no hydrogen 3.018 N/A VAL 68.A N ILE 64.A O no hydrogen 2.970 N/A GLN 69.A N PHE 65.A O no hydrogen 2.919 N/A ILE 70.A N ARG 66.A O no hydrogen 3.005 N/A MET 71.A N GLU 67.A O no hydrogen 2.958 N/A LYS 72.A N VAL 68.A O no hydrogen 3.077 N/A MET 73.A N GLN 69.A O no hydrogen 3.342 N/A MET 73.A N ILE 70.A O no hydrogen 2.931 N/A LEU 74.A N MET 71.A O no hydrogen 3.141 N/A HIS 78.A N HIS 76.A ND1 no hydrogen 3.068 N/A ILE 79.A N HIS 76.A O no hydrogen 2.993 N/A ILE 80.A N ILE 158.A O no hydrogen 2.904 N/A ARG 81.A NH1 TYR 318.A OH no hydrogen 2.809 N/A TYR 83.A N VAL 95.A O no hydrogen 2.623 N/A TYR 83.A OH ASP 330.A OD2 no hydrogen 2.501 N/A GLN 84.A N VAL 95.A O no hydrogen 3.211 N/A VAL 85.A N TYR 318.A O no hydrogen 3.014 N/A MET 86.A N TYR 93.A O no hydrogen 3.002 N/A THR 88.A N MET 91.A O no hydrogen 2.754 N/A ARG 90.A N THR 88.A OG1 no hydrogen 3.403 N/A MET 91.A N THR 88.A OG1 no hydrogen 3.054 N/A ILE 92.A N ILE 51.A O no hydrogen 2.898 N/A TYR 93.A N MET 86.A O no hydrogen 2.715 N/A LEU 94.A N LYS 49.A O no hydrogen 2.737 N/A VAL 95.A N GLN 84.A O no hydrogen 2.848 N/A THR 96.A N ALA 47.A O no hydrogen 2.929 N/A THR 96.A OG1 GLU 97.A O no hydrogen 3.528 N/A GLU 97.A N ARG 81.A O no hydrogen 2.736 N/A GLY 101.A N LEU 150.A O no hydrogen 2.538 N/A ILE 104.A N LEU 148.A O no hydrogen 3.035 N/A HIS 107.A N GLU 103.A O no hydrogen 3.287 N/A LEU 108.A N ILE 104.A O no hydrogen 2.850 N/A VAL 109.A N PHE 105.A O no hydrogen 3.176 N/A ALA 110.A N ASP 106.A O no hydrogen 3.194 N/A HIS 111.A N HIS 107.A O no hydrogen 3.167 N/A HIS 111.A N LEU 108.A O no hydrogen 3.251 N/A GLY 112.A N LEU 108.A O no hydrogen 2.526 N/A MET 114.A N LEU 210.A O no hydrogen 3.038 N/A ALA 119.A N ALA 115.A O no hydrogen 2.870 N/A ARG 120.A N GLU 116.A O no hydrogen 2.828 N/A ARG 120.A NE TRP 270.A O no hydrogen 2.959 N/A ARG 121.A N LYS 117.A O no hydrogen 3.364 N/A ARG 121.A NH2 ASN 155.A OD1 no hydrogen 3.241 N/A LYS 122.A N GLU 118.A O no hydrogen 3.163 N/A LYS 122.A NZ GLU 118.A OE1 no hydrogen 2.333 N/A PHE 123.A N ALA 119.A O no hydrogen 2.876 N/A LYS 124.A N ARG 120.A O no hydrogen 2.942 N/A LYS 124.A NZ ASP 277.A OD2 no hydrogen 3.015 N/A GLN 125.A N ARG 121.A O no hydrogen 3.170 N/A GLN 125.A NE2 ASN 155.A OD1 no hydrogen 3.559 N/A ILE 126.A N LYS 122.A O no hydrogen 2.782 N/A VAL 127.A N PHE 123.A O no hydrogen 2.846 N/A THR 128.A N LYS 124.A O no hydrogen 3.008 N/A THR 128.A OG1 LYS 124.A O no hydrogen 3.209 N/A THR 128.A OG1 GLN 125.A O no hydrogen 2.730 N/A ALA 129.A N GLN 125.A O no hydrogen 3.255 N/A VAL 130.A N ILE 126.A O no hydrogen 2.837 N/A TYR 131.A N VAL 127.A O no hydrogen 2.607 N/A PHE 132.A N THR 128.A O no hydrogen 3.241 N/A CYS 133.A N ALA 129.A O no hydrogen 3.138 N/A CYS 133.A SG ALA 129.A O no hydrogen 3.437 N/A HIS 134.A N VAL 130.A O no hydrogen 2.888 N/A HIS 134.A NE2 ASP 199.A OD2 no hydrogen 3.006 N/A CYS 135.A N TYR 131.A O no hydrogen 2.796 N/A ARG 136.A N CYS 133.A O no hydrogen 3.145 N/A ARG 136.A NH2 CYS 287.A O no hydrogen 3.258 N/A ASN 137.A N HIS 134.A O no hydrogen 2.987 N/A ASN 137.A ND2 PHE 167.A O no hydrogen 3.573 N/A ILE 138.A N CYS 133.A O no hydrogen 2.894 N/A VAL 139.A N ASN 165.A O no hydrogen 3.138 N/A HIS 140.A N ASP 199.A OD2 no hydrogen 3.043 N/A HIS 140.A NE2 ALA 159.A O no hydrogen 3.030 N/A ARG 141.A N ASP 199.A OD1 no hydrogen 2.960 N/A ARG 141.A NH1 ASP 175.A OD1 no hydrogen 2.929 N/A ARG 141.A NH1 TYR 193.A OH no hydrogen 2.683 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.192 N/A ALA 145.A N TYR 182.A OH no hydrogen 3.361 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.343 N/A ASN 147.A N LYS 144.A O no hydrogen 3.028 N/A LEU 148.A N ALA 145.A O no hydrogen 3.067 N/A LEU 149.A N LYS 157.A O no hydrogen 2.865 N/A LEU 150.A N GLY 102.A O no hydrogen 3.020 N/A ASP 151.A N ASN 155.A O no hydrogen 3.295 N/A LEU 154.A N ASP 151.A O no hydrogen 2.945 N/A ASN 155.A N ASP 151.A OD1 no hydrogen 2.584 N/A ILE 156.A N GLN 125.A OE1 no hydrogen 2.938 N/A LYS 157.A N LEU 149.A O no hydrogen 2.972 N/A LYS 157.A NZ PRO 77.A O no hydrogen 2.616 N/A LYS 157.A NZ GLU 97.A OE2 no hydrogen 3.025 N/A ILE 158.A N HIS 78.A O no hydrogen 2.955 N/A ALA 159.A N ASN 147.A O no hydrogen 2.991 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 3.174 N/A SER 164.A N PHE 161.A O no hydrogen 3.218 N/A SER 164.A OG PHE 161.A O no hydrogen 2.403 N/A ASN 165.A N VAL 139.A O no hydrogen 3.129 N/A PHE 167.A N ASN 137.A O no hydrogen 3.255 N/A GLN 171.A N THR 168.A O no hydrogen 2.960 N/A LEU 173.A N TYR 193.A O no hydrogen 3.027 N/A ASP 175.A N ASP 175.A OD1 no hydrogen 2.381 N/A TRP 176.A NE1 GLY 178.A O no hydrogen 3.103 N/A CYS 177.A SG ARG 141.A O no hydrogen 3.060 N/A SER 179.A N ASP 142.A OD1 no hydrogen 3.020 N/A ALA 183.A N PRO 180.A O no hydrogen 2.821 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.701 N/A LEU 187.A N ALA 184.A O no hydrogen 2.945 N/A GLU 189.A N PRO 185.A O no hydrogen 3.087 N/A GLY 190.A N GLU 186.A O no hydrogen 2.593 N/A LYS 191.A N GLU 186.A O no hydrogen 3.049 N/A TYR 193.A OH ASP 175.A O no hydrogen 2.586 N/A LYS 197.A NZ GLU 186.A OE2 no hydrogen 2.827 N/A LYS 197.A NZ ASP 194.A O no hydrogen 2.565 N/A VAL 198.A N ASP 194.A O no hydrogen 3.296 N/A VAL 198.A N GLY 195.A O no hydrogen 2.926 N/A ASP 199.A N GLY 195.A O no hydrogen 3.127 N/A ILE 200.A N PRO 196.A O no hydrogen 2.952 N/A TRP 201.A N LYS 197.A O no hydrogen 3.443 N/A SER 202.A N VAL 198.A O no hydrogen 3.146 N/A SER 202.A OG TYR 182.A O no hydrogen 2.431 N/A SER 202.A OG VAL 198.A O no hydrogen 3.508 N/A LEU 203.A N ASP 199.A O no hydrogen 2.599 N/A GLY 204.A N ILE 200.A O no hydrogen 2.742 N/A VAL 205.A N TRP 201.A O no hydrogen 2.984 N/A VAL 206.A N SER 202.A O no hydrogen 3.047 N/A LEU 207.A N LEU 203.A O no hydrogen 3.080 N/A TYR 208.A N GLY 204.A O no hydrogen 3.170 N/A TYR 208.A OH ARG 235.A O no hydrogen 3.021 N/A VAL 209.A N VAL 205.A O no hydrogen 3.092 N/A LEU 210.A N VAL 206.A O no hydrogen 3.015 N/A VAL 211.A N LEU 207.A O no hydrogen 3.112 N/A CYS 212.A N TYR 208.A O no hydrogen 2.901 N/A CYS 212.A SG TYR 208.A O no hydrogen 3.344 N/A GLY 213.A N VAL 209.A O no hydrogen 2.815 N/A GLY 219.A N ASP 218.A OD1 no hydrogen 2.840 N/A ASN 224.A N THR 221.A OG1 no hydrogen 3.346 N/A ASN 224.A ND2 SER 220.A OG no hydrogen 2.840 N/A LEU 225.A N THR 221.A O no hydrogen 3.079 N/A ARG 226.A N LEU 222.A O no hydrogen 2.828 N/A ARG 226.A NH1 PHE 188.A O no hydrogen 2.615 N/A ALA 227.A N GLN 223.A O no hydrogen 2.827 N/A ARG 228.A N ASN 224.A O no hydrogen 3.023 N/A ARG 228.A NH2 PRO 216.A O no hydrogen 3.504 N/A VAL 229.A N LEU 225.A O no hydrogen 2.834 N/A LEU 230.A N ARG 226.A O no hydrogen 3.188 N/A SER 231.A N ALA 227.A O no hydrogen 3.072 N/A SER 231.A OG ARG 228.A O no hydrogen 2.777 N/A GLY 232.A N VAL 229.A O no hydrogen 3.247 N/A MET 240.A N PRO 237.A O no hydrogen 3.393 N/A SER 241.A N GLU 116.A OE2 no hydrogen 2.695 N/A SER 241.A OG GLU 116.A OE1 no hydrogen 3.111 N/A SER 241.A OG GLU 116.A OE2 no hydrogen 3.334 N/A THR 242.A OG1 GLU 243.A OE1 no hydrogen 3.200 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 2.537 N/A CYS 244.A N SER 241.A OG no hydrogen 3.058 N/A GLU 245.A N SER 241.A O no hydrogen 2.927 N/A HIS 246.A N THR 242.A O no hydrogen 2.901 N/A LEU 247.A N GLU 243.A O no hydrogen 3.007 N/A ILE 248.A N CYS 244.A O no hydrogen 2.929 N/A ARG 249.A N GLU 245.A O no hydrogen 2.768 N/A ARG 249.A NH1 GLU 245.A OE1 no hydrogen 2.348 N/A HIS 250.A N HIS 246.A O no hydrogen 2.969 N/A MET 251.A N LEU 247.A O no hydrogen 2.881 N/A LEU 252.A N ILE 248.A O no hydrogen 2.896 N/A VAL 253.A N MET 251.A O no hydrogen 2.988 N/A LYS 258.A N ASP 255.A OD1 no hydrogen 2.982 N/A ARG 259.A N PRO 256.A O no hydrogen 3.429 N/A ARG 259.A NE LYS 197.A O no hydrogen 2.965 N/A ARG 259.A NH1 VAL 253.A O no hydrogen 2.493 N/A ARG 259.A NH2 GLU 186.A OE1 no hydrogen 2.917 N/A SER 261.A OG GLN 264.A OE1 no hydrogen 3.014 N/A GLU 263.A N SER 261.A OG no hydrogen 3.062 N/A ILE 265.A N SER 261.A O no hydrogen 3.312 N/A CYS 266.A N MET 262.A O no hydrogen 3.423 N/A CYS 266.A SG MET 262.A O no hydrogen 3.247 N/A LYS 267.A N GLN 264.A O no hydrogen 3.110 N/A HIS 268.A N ILE 265.A O no hydrogen 3.309 N/A TRP 270.A N HIS 268.A ND1 no hydrogen 2.885 N/A TRP 270.A NE1 GLU 116.A OE1 no hydrogen 2.472 N/A MET 271.A N HIS 268.A O no hydrogen 2.734 N/A LYS 272.A N HIS 268.A O no hydrogen 3.189 N/A LEU 273.A N LYS 269.A O no hydrogen 3.077 N/A ASP 281.A N ASP 277.A O no hydrogen 3.518 N/A ARG 282.A N PRO 278.A O no hydrogen 2.972 N/A ARG 282.A NH1 GLU 286.A OE2 no hydrogen 3.054 N/A ARG 282.A NH2 ASN 279.A OD1 no hydrogen 2.548 N/A LEU 283.A N ASN 279.A O no hydrogen 3.110 N/A ILE 284.A N PHE 280.A O no hydrogen 3.094 N/A ALA 285.A N ASP 281.A O no hydrogen 2.932 N/A GLU 286.A N ARG 282.A O no hydrogen 2.899 N/A CYS 287.A N ILE 284.A O no hydrogen 3.307 N/A CYS 287.A SG LEU 283.A O no hydrogen 3.241 N/A GLN 288.A N ALA 285.A O no hydrogen 3.193 N/A GLN 289.A N GLU 286.A O no hydrogen 3.345 N/A ASN 292.A N TYR 325.A OH no hydrogen 2.684 N/A ASN 292.A ND2 HIS 332.A ND1 no hydrogen 3.312 N/A VAL 295.A N ASN 292.A OD1 no hydrogen 2.896 N/A LEU 296.A N ASN 292.A O no hydrogen 3.106 N/A LEU 297.A N GLU 293.A O no hydrogen 2.910 N/A ALA 298.A N ASP 294.A O no hydrogen 3.030 N/A MET 299.A N VAL 295.A O no hydrogen 2.839 N/A GLU 300.A N LEU 296.A O no hydrogen 3.097 N/A ASP 301.A N LEU 297.A O no hydrogen 3.075 N/A MET 302.A N ALA 298.A O no hydrogen 3.152 N/A GLY 303.A N GLU 300.A O no hydrogen 2.725 N/A LEU 304.A N MET 299.A O no hydrogen 2.981 N/A LYS 306.A NZ GLU 300.A OE1 no hydrogen 2.470 N/A GLN 308.A N ASP 305.A OD1 no hydrogen 2.476 N/A GLN 308.A NE2 GLN 308.A O no hydrogen 2.467 N/A THR 309.A N ASP 305.A O no hydrogen 2.966 N/A THR 309.A OG1 ASP 305.A O no hydrogen 2.331 N/A LEU 310.A N LYS 306.A O no hydrogen 3.297 N/A GLN 311.A N GLU 307.A O no hydrogen 3.016 N/A SER 312.A N GLN 308.A O no hydrogen 2.862 N/A SER 312.A OG GLN 308.A O no hydrogen 3.480 N/A SER 312.A OG ASP 319.A OD1 no hydrogen 3.098 N/A SER 312.A OG ASP 319.A OD2 no hydrogen 2.537 N/A LEU 313.A N THR 309.A O no hydrogen 3.081 N/A ARG 314.A N LEU 310.A O no hydrogen 2.962 N/A SER 315.A N GLN 311.A O no hydrogen 2.810 N/A SER 315.A OG GLN 311.A O no hydrogen 2.513 N/A SER 315.A OG SER 312.A O no hydrogen 3.295 N/A ASP 316.A N SER 312.A O no hydrogen 2.958 N/A ASP 316.A N LEU 313.A O no hydrogen 3.063 N/A TYR 318.A OH LYS 72.A O no hydrogen 3.355 N/A ASP 319.A N SER 322.A OG no hydrogen 3.120 N/A SER 322.A N ASP 319.A OD1 no hydrogen 2.820 N/A SER 322.A OG ALA 317.A O no hydrogen 3.217 N/A SER 322.A OG ASP 319.A O no hydrogen 3.544 N/A SER 322.A OG ASP 319.A OD1 no hydrogen 3.502 N/A ALA 323.A N ASP 319.A O no hydrogen 3.023 N/A TYR 325.A N TYR 321.A O no hydrogen 3.261 N/A SER 326.A N SER 322.A O no hydrogen 2.882 N/A SER 326.A OG SER 322.A O no hydrogen 3.158 N/A LEU 327.A N ALA 323.A O no hydrogen 2.763 N/A LEU 328.A N ILE 324.A O no hydrogen 2.879 N/A CYS 329.A N TYR 325.A O no hydrogen 2.863 N/A CYS 329.A SG TYR 325.A O no hydrogen 3.272 N/A ASP 330.A N SER 326.A O no hydrogen 2.894 N/A ARG 331.A N LEU 327.A O no hydrogen 2.894 N/A ARG 331.A NH1 THR 337.A O no hydrogen 3.146 N/A ARG 331.A NH1 THR 337.A OG1 no hydrogen 3.022 N/A HIS 332.A N LEU 328.A O no hydrogen 2.937 N/A LYS 333.A N CYS 329.A O no hydrogen 3.100 N/A LYS 333.A NZ ASP 330.A OD1 no hydrogen 3.509 N/A HIS 335.A N HIS 332.A O no hydrogen 3.289 N/A LYS 336.A N ARG 331.A O no hydrogen 3.444 N/A