Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4zbk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 TYR 5.A OH no hydrogen 2.907 N/A VAL 4.A N ASN 2.A OD1 no hydrogen 2.971 N/A ALA 12.A N SER 18.A OG no hydrogen 2.861 N/A CYS 17.A N ALA 14.A O no hydrogen 3.121 N/A SER 18.A N ALA 14.A O no hydrogen 3.075 N/A LYS 19.A N LYS 15.A O no hydrogen 2.975 N/A ILE 20.A N GLN 16.A O no hydrogen 3.000 N/A GLY 21.A N CYS 17.A O no hydrogen 3.039 N/A ARG 22.A N SER 18.A O no hydrogen 2.877 N/A ARG 22.A NE ASP 23.A OD1 no hydrogen 2.883 N/A ARG 22.A NH2 ASP 23.A OD1 no hydrogen 3.311 N/A ASP 23.A N LYS 19.A O no hydrogen 2.806 N/A ALA 24.A N ILE 20.A O no hydrogen 3.238 N/A LEU 25.A N GLY 21.A O no hydrogen 3.103 N/A ARG 26.A N ARG 22.A O no hydrogen 2.873 N/A ASP 27.A N ASP 23.A O no hydrogen 3.022 N/A GLY 28.A N LEU 25.A O no hydrogen 2.767 N/A GLY 29.A N ALA 24.A O no hydrogen 2.857 N/A SER 30.A N ASP 33.A OD2 no hydrogen 2.901 N/A SER 30.A OG ASP 33.A OD2 no hydrogen 3.413 N/A SER 30.A OG HIS 115.A O no hydrogen 2.567 N/A ASP 33.A N SER 30.A OG no hydrogen 3.417 N/A ALA 34.A N SER 30.A O no hydrogen 3.183 N/A ALA 35.A N ALA 31.A O no hydrogen 3.039 N/A ILE 36.A N VAL 32.A O no hydrogen 2.788 N/A ALA 37.A N ASP 33.A O no hydrogen 2.915 N/A ALA 38.A N ALA 34.A O no hydrogen 2.826 N/A LEU 39.A N ALA 35.A O no hydrogen 2.825 N/A LEU 40.A N ILE 36.A O no hydrogen 3.085 N/A CYS 41.A N ALA 37.A O no hydrogen 3.334 N/A VAL 42.A N ALA 38.A O no hydrogen 2.815 N/A GLY 43.A N LEU 39.A O no hydrogen 3.000 N/A LEU 44.A N CYS 41.A O no hydrogen 2.994 N/A MET 45.A N CYS 41.A O no hydrogen 2.930 N/A ASN 46.A N VAL 42.A O no hydrogen 2.717 N/A ASN 46.A ND2 ASP 13.A O no hydrogen 3.606 N/A SER 49.A N ASN 46.A O no hydrogen 2.755 N/A SER 49.A OG HIS 48.A NE2 no hydrogen 3.313 N/A GLY 54.A N GLY 51.A O no hydrogen 3.002 N/A LEU 56.A N ALA 73.A O no hydrogen 2.976 N/A LEU 58.A N ILE 71.A O no hydrogen 2.981 N/A ILE 60.A N GLU 69.A O no hydrogen 2.784 N/A ASN 62.A N LYS 67.A O no hydrogen 2.836 N/A THR 64.A N ASN 62.A OD1 no hydrogen 2.658 N/A THR 65.A N ASN 62.A OD1 no hydrogen 3.377 N/A LYS 67.A N THR 65.A OG1 no hydrogen 3.250 N/A GLU 69.A N ILE 60.A O no hydrogen 2.753 N/A VAL 70.A N ILE 228.A O no hydrogen 2.922 N/A ILE 71.A N LEU 58.A O no hydrogen 2.625 N/A ASN 72.A N GLU 226.A O no hydrogen 2.803 N/A ALA 73.A N LEU 56.A O no hydrogen 2.845 N/A ARG 74.A N ASN 72.A OD1 no hydrogen 3.179 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.832 N/A VAL 76.A N VAL 101.A O no hydrogen 3.283 N/A ARG 79.A N ASP 219.A OD1 no hydrogen 2.858 N/A ARG 79.A NE.A THR 216.A OG1 no hydrogen 3.055 N/A ALA 81.A N PRO 78.A O no hydrogen 2.951 N/A MET 85.A N PHE 82.A O no hydrogen 3.128 N/A ASN 87.A N GLN 91.A OE1 no hydrogen 2.453 N/A GLN 91.A N SER 88.A O no hydrogen 2.961 N/A GLN 91.A N SER 88.A OG no hydrogen 3.378 N/A SER 92.A N SER 88.A O no hydrogen 3.306 N/A SER 92.A OG SER 89.A O no hydrogen 3.166 N/A LYS 94.A N GLU 90.A O no hydrogen 3.283 N/A GLY 96.A N ALA 211.A O no hydrogen 2.860 N/A SER 98.A N GLY 95.A O no hydrogen 3.137 N/A SER 98.A OG GLY 95.A O no hydrogen 2.713 N/A VAL 99.A N GLY 96.A O no hydrogen 2.958 N/A VAL 101.A N VAL 76.A O no hydrogen 2.862 N/A GLY 103.A N GLY 54.A O no hydrogen 2.947 N/A GLU 104.A N GLY 54.A O no hydrogen 3.125 N/A ARG 106.A N TYR 196.A OH no hydrogen 3.399 N/A ARG 106.A NH1.A GLU 109.A OE1 no hydrogen 2.686 N/A ARG 106.A NH1.B ASN 221.A O no hydrogen 3.265 N/A ARG 106.A NH1.B TYR 223.A O no hydrogen 2.659 N/A ARG 106.A NH2.A GLN 193.A OE1.A no hydrogen 2.816 N/A ARG 106.A NH2.B GLN 193.A OE1.A no hydrogen 3.411 N/A GLY 107.A N GLY 103.A O no hydrogen 2.911 N/A TYR 108.A N GLU 104.A O no hydrogen 2.843 N/A TYR 108.A OH GLU 104.A OE2 no hydrogen 2.532 N/A GLU 109.A N ILE 105.A O no hydrogen 2.991 N/A LEU 110.A N ARG 106.A O no hydrogen 2.887 N/A ALA 111.A N GLY 107.A O no hydrogen 3.110 N/A HIS 112.A N TYR 108.A O no hydrogen 2.807 N/A HIS 112.A NE2 LEU 118.A O no hydrogen 2.787 N/A GLN 113.A N GLU 109.A O no hydrogen 2.886 N/A ARG 114.A N LEU 110.A O no hydrogen 3.209 N/A ARG 114.A NE GLU 69.A OE2 no hydrogen 2.940 N/A ARG 114.A NH2 GLU 69.A OE1 no hydrogen 2.757 N/A HIS 115.A N HIS 112.A O no hydrogen 3.256 N/A HIS 115.A NE2 GLU 69.A OE2 no hydrogen 2.490 N/A GLY 116.A N HIS 112.A O no hydrogen 2.683 N/A ARG 117.A N ASP 33.A OD1 no hydrogen 3.363 N/A ARG 117.A N ASP 33.A OD2 no hydrogen 2.722 N/A LEU 118.A N ASP 33.A OD2 no hydrogen 2.963 N/A TRP 120.A NE1 LEU 187.A O no hydrogen 2.771 N/A ARG 122.A NH1 ARG 122.A O no hydrogen 2.957 N/A ARG 122.A NH2 ASP 27.A OD2 no hydrogen 2.922 N/A LEU 123.A N TRP 120.A O no hydrogen 2.960 N/A PHE 124.A N ALA 121.A O no hydrogen 3.127 N/A GLN 125.A N ALA 121.A O no hydrogen 3.233 N/A ILE 128.A N PHE 124.A O no hydrogen 2.895 N/A GLN 129.A N GLN 125.A O no hydrogen 3.185 N/A GLN 129.A NE2 GLN 125.A OE1 no hydrogen 2.805 N/A LEU 130.A N PRO 126.A O no hydrogen 3.116 N/A ALA 131.A N SER 127.A O no hydrogen 2.962 N/A ARG 132.A N ILE 128.A O no hydrogen 3.226 N/A ARG 132.A NH2 ASP 182.A OD1 no hydrogen 3.230 N/A ARG 132.A NH2 GLU 185.A OE1 no hydrogen 2.972 N/A GLN 133.A N GLN 129.A O no hydrogen 2.862 N/A GLY 134.A N LEU 130.A O no hydrogen 2.877 N/A PHE 135.A N LEU 175.A O no hydrogen 2.934 N/A VAL 137.A N GLU 173.A O no hydrogen 2.643 N/A ALA 142.A N GLY 138.A O no hydrogen 2.986 N/A ALA 143.A N LYS 139.A O no hydrogen 2.944 N/A ALA 144.A N GLY 140.A O no hydrogen 2.953 N/A LEU 145.A N LEU 141.A O no hydrogen 2.740 N/A GLU 146.A N ALA 142.A O no hydrogen 2.906 N/A ASN 147.A N ALA 143.A O no hydrogen 2.807 N/A LYS 148.A N ALA 144.A O no hydrogen 3.023 N/A LYS 148.A NZ ASN 147.A OD1 no hydrogen 3.291 N/A ARG 149.A N GLU 146.A O no hydrogen 3.075 N/A ARG 149.A NH1 GLU 153.A OE2 no hydrogen 3.360 N/A ILE 152.A N LYS 148.A O no hydrogen 3.044 N/A GLU 153.A N ARG 149.A O no hydrogen 2.917 N/A GLN 154.A N THR 150.A O no hydrogen 3.154 N/A GLN 154.A N VAL 151.A O no hydrogen 3.263 N/A GLN 155.A N VAL 151.A O no hydrogen 3.065 N/A GLN 155.A N ILE 152.A O no hydrogen 3.170 N/A VAL 157.A N GLN 155.A OE1 no hydrogen 3.224 N/A LEU 158.A N GLN 155.A O no hydrogen 3.104 N/A CYS 159.A N GLN 155.A O no hydrogen 2.932 N/A CYS 159.A SG GLU 153.A O no hydrogen 4.048 N/A GLU 160.A N PRO 156.A O no hydrogen 2.996 N/A VAL 161.A N LEU 158.A O no hydrogen 3.333 N/A PHE 162.A N LEU 158.A O no hydrogen 2.835 N/A CYS 163.A N CYS 159.A O no hydrogen 2.809 N/A ARG 164.A N LYS 167.A O no hydrogen 2.759 N/A ARG 164.A NE GLU 173.A OE2 no hydrogen 2.932 N/A LYS 167.A N ARG 164.A O no hydrogen 3.418 N/A VAL 168.A N GLU 153.A OE2 no hydrogen 3.150 N/A LEU 169.A N PHE 162.A O no hydrogen 2.970 N/A ARG 170.A N GLU 173.A OE1 no hydrogen 2.648 N/A GLY 172.A N VAL 137.A O no hydrogen 2.797 N/A GLU 173.A N ARG 170.A O no hydrogen 3.024 N/A ARG 174.A NH1 GLN 133.A O no hydrogen 3.210 N/A LEU 175.A N PHE 135.A O no hydrogen 2.639 N/A LEU 177.A N ALA 131.A O no hydrogen 2.912 N/A ALA 181.A N LEU 177.A O no hydrogen 3.073 N/A ASP 182.A N PRO 178.A O no hydrogen 3.394 N/A THR 183.A N GLN 179.A O no hydrogen 2.949 N/A THR 183.A OG1 GLN 179.A O no hydrogen 3.211 N/A TYR 184.A N LEU 180.A O no hydrogen 2.650 N/A TYR 184.A OH LEU 40.A O no hydrogen 2.738 N/A GLU 185.A N ALA 181.A O no hydrogen 2.853 N/A THR 186.A N ASP 182.A O no hydrogen 2.913 N/A THR 186.A OG1 ASP 182.A O no hydrogen 3.330 N/A LEU 187.A N THR 183.A O no hydrogen 2.949 N/A ALA 188.A N TYR 184.A O no hydrogen 2.893 N/A ILE 189.A N GLU 185.A O no hydrogen 3.100 N/A ILE 189.A N THR 186.A O no hydrogen 3.171 N/A GLU 190.A N THR 186.A O no hydrogen 2.736 N/A GLY 191.A N LEU 187.A O no hydrogen 2.857 N/A GLN 193.A NE2.A ASN 197.A OD1 no hydrogen 2.998 N/A GLN 193.A NE2.B ASN 197.A O no hydrogen 3.610 N/A ALA 194.A N GLY 191.A O no hydrogen 2.990 N/A PHE 195.A N ALA 192.A O no hydrogen 2.854 N/A TYR 196.A OH PRO 102.A O no hydrogen 2.755 N/A ASN 197.A N GLN 193.A O no hydrogen 2.851 N/A GLY 198.A N THR 201.A OG1 no hydrogen 2.983 N/A SER 199.A OG GLU 190.A OE1 no hydrogen 2.546 N/A SER 199.A OG GLU 190.A OE2 no hydrogen 3.501 N/A LEU 200.A N ALA 194.A O no hydrogen 2.876 N/A THR 201.A N GLY 198.A O no hydrogen 3.257 N/A THR 201.A OG1 ALA 194.A O no hydrogen 3.489 N/A THR 201.A OG1 PHE 195.A O no hydrogen 2.876 N/A THR 201.A OG1 GLY 198.A O no hydrogen 3.242 N/A GLN 203.A NE2 ASP 207.A OD1 no hydrogen 3.037 N/A GLN 203.A NE2 ASP 207.A OD2 no hydrogen 3.321 N/A ILE 204.A N LEU 200.A O no hydrogen 3.090 N/A VAL 205.A N THR 201.A O no hydrogen 3.171 N/A LYS 206.A N ALA 202.A O no hydrogen 2.892 N/A ASP 207.A N GLN 203.A O no hydrogen 2.898 N/A ILE 208.A N ILE 204.A O no hydrogen 3.034 N/A GLN 209.A N VAL 205.A O no hydrogen 2.955 N/A GLN 209.A NE2 VAL 215.A O no hydrogen 2.712 N/A ALA 210.A N LYS 206.A O no hydrogen 2.869 N/A ALA 211.A N ASP 207.A O no hydrogen 3.372 N/A GLY 212.A N GLN 209.A O no hydrogen 2.821 N/A GLY 213.A N ILE 208.A O no hydrogen 2.742 N/A THR 216.A N ASP 219.A OD2 no hydrogen 2.987 N/A THR 216.A OG1 GLU 218.A OE1 no hydrogen 3.341 N/A THR 216.A OG1 ASP 219.A OD2 no hydrogen 3.326 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.754 N/A LEU 220.A N THR 216.A O no hydrogen 3.443 N/A ASN 221.A N ALA 217.A O no hydrogen 2.801 N/A ASN 221.A ND2 TYR 196.A O no hydrogen 2.716 N/A ASN 222.A N GLU 218.A O no hydrogen 2.751 N/A TYR 223.A N LEU 220.A O no hydrogen 3.058 N/A TYR 223.A OH ARG 74.A O no hydrogen 2.651 N/A ARG 224.A NH1 ASN 221.A O no hydrogen 3.033 N/A ARG 224.A NH1 TYR 223.A O no hydrogen 2.846 N/A GLU 226.A N ASN 72.A O no hydrogen 2.928 N/A ILE 228.A N VAL 70.A O no hydrogen 2.763 N/A ILE 234.A N LEU 241.A O no hydrogen 3.051 N/A LEU 236.A N ALA 239.A O no hydrogen 2.796 N/A ALA 239.A N LEU 236.A O no hydrogen 2.811 N/A LEU 241.A N ILE 234.A O no hydrogen 2.781 N/A MET 243.A N LEU 232.A O no hydrogen 3.018 N/A LEU 248.A N SER 245.A O no hydrogen 2.896 N/A LEU 253.A N SER 249.A O no hydrogen 2.950 N/A ALA 254.A N GLY 250.A O no hydrogen 2.756 N/A LEU 255.A N PRO 251.A O no hydrogen 3.056 N/A ILE 256.A N VAL 252.A O no hydrogen 3.000 N/A LEU 257.A N LEU 253.A O no hydrogen 3.045 N/A ASN 258.A N ALA 254.A O no hydrogen 2.850 N/A ILE 259.A N LEU 255.A O no hydrogen 2.832 N/A LEU 260.A N ILE 256.A O no hydrogen 3.087 N/A LYS 261.A N LEU 257.A O no hydrogen 2.719 N/A LYS 261.A NZ SER 235.A O no hydrogen 2.670 N/A LYS 261.A NZ ASN 258.A OD1 no hydrogen 2.860 N/A LYS 261.A NZ GLU 315.A OE2 no hydrogen 2.872 N/A TYR 263.A N LEU 260.A O no hydrogen 3.005 N/A ASN 264.A N LYS 261.A O no hydrogen 3.013 N/A SER 266.A N SER 269.A OG no hydrogen 2.894 N/A GLU 268.A N SER 266.A OG no hydrogen 3.052 N/A SER 269.A N SER 266.A O no hydrogen 2.941 N/A SER 269.A OG SER 266.A O no hydrogen 3.097 N/A VAL 270.A N ARG 267.A O no hydrogen 3.353 N/A GLU 271.A N GLU 268.A O no hydrogen 2.940 N/A SER 272.A OG GLU 274.A OE2 no hydrogen 3.507 N/A GLU 274.A N GLU 274.A OE2 no hydrogen 2.925 N/A LYS 276.A N SER 272.A O no hydrogen 2.767 N/A GLY 277.A N PRO 273.A O no hydrogen 2.967 N/A LEU 278.A N GLU 274.A O no hydrogen 3.403 N/A THR 279.A N GLN 275.A O no hydrogen 2.824 N/A THR 279.A OG1 SER 269.A O no hydrogen 2.854 N/A THR 279.A OG1 GLN 275.A O no hydrogen 2.921 N/A TYR 280.A N LYS 276.A O no hydrogen 2.953 N/A HIS 281.A N GLY 277.A O no hydrogen 3.022 N/A HIS 281.A NE2 SER 326.A O no hydrogen 2.823 N/A ARG 282.A N LEU 278.A O no hydrogen 2.887 N/A ARG 282.A NE ASP 327.A OD1 no hydrogen 3.227 N/A ARG 282.A NH2 ASP 327.A OD1 no hydrogen 3.419 N/A ARG 282.A NH2 ASP 327.A OD2 no hydrogen 2.836 N/A ILE 283.A N THR 279.A O no hydrogen 3.000 N/A VAL 284.A N TYR 280.A O no hydrogen 3.014 N/A GLU 285.A N HIS 281.A O no hydrogen 3.042 N/A ALA 286.A N ARG 282.A O no hydrogen 3.038 N/A PHE 287.A N ILE 283.A O no hydrogen 2.950 N/A ARG 288.A N VAL 284.A O no hydrogen 2.948 N/A ARG 288.A NE TYR 336.A OH no hydrogen 3.134 N/A ARG 288.A NH2 HIS 331.A O no hydrogen 2.990 N/A PHE 289.A N GLU 285.A O no hydrogen 2.960 N/A ALA 290.A N ALA 286.A O no hydrogen 2.907 N/A TYR 291.A N PHE 287.A O no hydrogen 2.927 N/A ALA 292.A N ARG 288.A O no hydrogen 3.146 N/A LYS 293.A N ALA 290.A O no hydrogen 3.332 N/A LYS 293.A NZ TYR 336.A O no hydrogen 3.383 N/A LYS 293.A NZ LYS 337.A O no hydrogen 2.956 N/A THR 295.A OG1 ALA 292.A O no hydrogen 3.089 N/A THR 295.A OG1 GLU 339.A O no hydrogen 2.625 N/A LEU 296.A N LYS 293.A O no hydrogen 3.082 N/A LEU 297.A N ARG 294.A O no hydrogen 2.945 N/A LYS 301.A N ASP 299.A OD1 no hydrogen 3.039 N/A LYS 301.A NZ GLU 226.A OE1 no hydrogen 3.539 N/A LYS 301.A NZ GLU 226.A OE2 no hydrogen 3.080 N/A PHE 302.A N ASP 299.A O no hydrogen 2.854 N/A VAL 303.A N ASP 299.A O no hydrogen 2.989 N/A THR 306.A N ASP 304.A OD1 no hydrogen 3.153 N/A THR 306.A OG1.A ASP 304.A OD1 no hydrogen 2.971 N/A THR 306.A OG1.B ASP 304.A OD1 no hydrogen 2.395 N/A VAL 309.A N VAL 305.A O no hydrogen 2.836 N/A ARG 310.A N THR 306.A O no hydrogen 3.002 N/A ASN 311.A N GLU 307.A O no hydrogen 2.944 N/A MET 312.A N VAL 308.A O no hydrogen 3.096 N/A THR 313.A N VAL 309.A O no hydrogen 3.060 N/A THR 313.A OG1 VAL 309.A O no hydrogen 2.438 N/A THR 313.A OG1 ARG 310.A O no hydrogen 3.180 N/A SER 314.A N ASN 311.A O no hydrogen 3.114 N/A PHE 317.A N SER 314.A OG no hydrogen 2.993 N/A ALA 318.A N SER 314.A O no hydrogen 3.031 N/A ALA 319.A N GLU 315.A O no hydrogen 2.797 N/A GLN 320.A N PHE 316.A O no hydrogen 2.821 N/A LEU 321.A N PHE 317.A O no hydrogen 3.113 N/A ARG 322.A N ALA 318.A O no hydrogen 2.752 N/A ARG 322.A NH1.B ILE 259.A O no hydrogen 2.818 N/A ALA 323.A N ALA 319.A O no hydrogen 3.065 N/A GLN 324.A N LEU 321.A O no hydrogen 2.892 N/A GLN 324.A NE2 GLN 320.A O no hydrogen 2.936 N/A ILE 325.A N ARG 322.A O no hydrogen 3.182 N/A SER 326.A OG HIS 331.A NE2 no hydrogen 2.628 N/A THR 329.A OG1 THR 330.A O no hydrogen 2.718 N/A THR 330.A OG1 GLU 285.A OE2 no hydrogen 2.616 N/A THR 330.A OG1 TYR 336.A OH no hydrogen 3.185 N/A HIS 331.A N TYR 336.A OH no hydrogen 3.150 N/A HIS 331.A NE2 SER 326.A OG no hydrogen 2.628 N/A TYR 335.A N PRO 332.A O no hydrogen 3.039 N/A TYR 335.A OH GLN 324.A O no hydrogen 2.499 N/A TYR 336.A N ILE 333.A O no hydrogen 3.116 N/A TYR 336.A OH GLU 285.A OE1 no hydrogen 2.484 N/A TYR 336.A OH GLU 285.A OE2 no hydrogen 3.375 N/A TYR 336.A OH THR 330.A OG1 no hydrogen 3.185 N/A LYS 337.A N SER 334.A O no hydrogen 3.170 N/A