Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wb4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N PHE 1.A O no hydrogen 2.645 N/A ASP 6.A N SER 165.A OG no hydrogen 2.778 N/A ASN 7.A N MET 4.A O no hydrogen 3.223 N/A ASN 7.A ND2 HIS 91.A O no hydrogen 2.897 N/A ASN 7.A ND2 MET 166.A O no hydrogen 3.063 N/A LEU 8.A N GLY 164.A O no hydrogen 2.983 N/A ARG 9.A N TYR 17.A O no hydrogen 2.986 N/A SER 12.A N ALA 160.A O no hydrogen 2.714 N/A SER 12.A OG ALA 160.A O no hydrogen 3.107 N/A GLN 14.A N LYS 11.A O no hydrogen 2.841 N/A TYR 16.A OH GLU 314.A OE2 no hydrogen 2.620 N/A TYR 17.A N ARG 9.A O no hydrogen 2.808 N/A VAL 18.A N ILE 31.A O no hydrogen 2.798 N/A MET 20.A N LEU 29.A O no hydrogen 2.885 N/A THR 21.A N SER 88.A O no hydrogen 2.889 N/A VAL 22.A N GLN 27.A O no hydrogen 2.967 N/A GLY 23.A N LEU 86.A O no hydrogen 2.846 N/A SER 24.A N SER 59.A OG no hydrogen 3.250 N/A SER 24.A OG THR 61.A OG1 no hydrogen 3.184 N/A GLN 27.A N VAL 22.A O no hydrogen 2.784 N/A GLN 27.A NE2 GLN 55.A O no hydrogen 2.991 N/A LEU 29.A N MET 20.A O no hydrogen 2.830 N/A ASN 30.A N GLU 118.A OE1 no hydrogen 2.864 N/A ASN 30.A ND2 ASN 116.A O no hydrogen 3.071 N/A ILE 31.A N VAL 18.A O no hydrogen 2.870 N/A LEU 32.A N GLY 119.A O no hydrogen 2.808 N/A VAL 33.A N TYR 16.A O no hydrogen 2.818 N/A ASP 34.A N LEU 121.A O no hydrogen 2.956 N/A THR 35.A N SER 221.A OG no hydrogen 2.898 N/A THR 35.A OG1 VAL 219.A O no hydrogen 2.825 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.939 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.436 N/A SER 38.A OG TYR 125.A O no hydrogen 2.657 N/A ASN 39.A ND2 ARG 130.A O no hydrogen 2.849 N/A ALA 41.A N ILE 120.A O no hydrogen 2.962 N/A VAL 42.A N ALA 102.A O no hydrogen 2.948 N/A GLY 43.A N GLU 118.A O no hydrogen 2.812 N/A ALA 44.A N ILE 104.A O no hydrogen 3.032 N/A HIS 47.A N ALA 45.A O no hydrogen 2.716 N/A PHE 49.A N HIS 47.A ND1 no hydrogen 3.083 N/A LEU 50.A N HIS 47.A O no hydrogen 3.026 N/A ARG 52.A NE GLU 118.A OE1 no hydrogen 3.119 N/A ARG 52.A NH2 GLU 118.A OE1 no hydrogen 3.462 N/A TYR 54.A N GLY 43.A O no hydrogen 2.801 N/A TYR 54.A OH ASP 85.A OD2 no hydrogen 2.367 N/A GLN 55.A N GLN 27.A OE1 no hydrogen 2.845 N/A ARG 56.A NH1 TYR 62.A OH no hydrogen 3.512 N/A ARG 56.A NH1 GLU 81.A OE2 no hydrogen 2.739 N/A ARG 56.A NH2 GLU 81.A OE2 no hydrogen 3.202 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 2.852 N/A LEU 58.A N GLN 55.A O no hydrogen 3.059 N/A SER 59.A N ARG 56.A O no hydrogen 2.878 N/A SER 59.A OG ASP 85.A OD1 no hydrogen 3.328 N/A SER 59.A OG ASP 85.A OD2 no hydrogen 2.808 N/A SER 60.A N SER 24.A O no hydrogen 2.847 N/A SER 60.A OG SER 24.A O no hydrogen 3.200 N/A THR 61.A N SER 59.A OG no hydrogen 3.419 N/A THR 61.A OG1 ASP 85.A OD1 no hydrogen 2.850 N/A TYR 62.A N SER 59.A O no hydrogen 3.492 N/A ARG 63.A N THR 84.A O no hydrogen 2.986 N/A LEU 65.A N LEU 82.A O no hydrogen 2.865 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 2.748 N/A VAL 69.A N GLY 80.A O no hydrogen 2.908 N/A VAL 71.A N TRP 78.A O no hydrogen 2.863 N/A TYR 73.A N GLY 76.A O no hydrogen 2.721 N/A LYS 77.A N ASP 108.A O no hydrogen 2.854 N/A LYS 77.A NZ ASP 108.A OD2 no hydrogen 3.447 N/A TRP 78.A N VAL 71.A O no hydrogen 2.946 N/A GLU 79.A N GLU 106.A O no hydrogen 2.731 N/A GLY 80.A N VAL 69.A O no hydrogen 2.925 N/A GLU 81.A N ALA 103.A O no hydrogen 2.869 N/A LEU 82.A N LYS 67.A O no hydrogen 2.797 N/A GLY 83.A N ILE 101.A O no hydrogen 2.983 N/A THR 84.A N ARG 63.A O no hydrogen 2.874 N/A ASP 85.A N ALA 99.A O no hydrogen 3.035 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.827 N/A VAL 87.A N VAL 97.A O no hydrogen 2.834 N/A SER 88.A N THR 21.A O no hydrogen 2.955 N/A SER 88.A OG VAL 95.A O no hydrogen 3.189 N/A GLY 92.A N ILE 89.A O no hydrogen 2.749 N/A THR 96.A OG1 SER 88.A OG no hydrogen 2.692 N/A VAL 97.A N VAL 87.A O no hydrogen 2.976 N/A ARG 98.A N GLN 145.A OE1 no hydrogen 2.758 N/A ARG 98.A NH1 THR 61.A O no hydrogen 3.047 N/A ARG 98.A NH1 THR 84.A OG1 no hydrogen 2.943 N/A ARG 98.A NH2 THR 61.A O no hydrogen 3.132 N/A ALA 99.A N ASP 85.A O no hydrogen 2.916 N/A ASN 100.A ND2 GLU 136.A O no hydrogen 2.851 N/A ILE 101.A N GLY 83.A O no hydrogen 2.846 N/A ALA 102.A N PHE 40.A O no hydrogen 2.943 N/A ALA 103.A N GLU 81.A O no hydrogen 2.830 N/A ILE 104.A N VAL 42.A O no hydrogen 2.824 N/A THR 105.A N GLU 79.A O no hydrogen 2.937 N/A THR 105.A OG1 GLU 79.A O no hydrogen 3.349 N/A ASP 108.A N LYS 77.A O no hydrogen 2.764 N/A SER 115.A N ILE 112.A O no hydrogen 3.114 N/A SER 115.A OG ILE 112.A O no hydrogen 3.259 N/A ASN 116.A ND2 TYR 17.A OH no hydrogen 2.999 N/A TRP 117.A NE1 GLN 14.A O no hydrogen 2.857 N/A GLU 118.A N ASN 30.A O no hydrogen 2.907 N/A ILE 120.A N ALA 41.A O no hydrogen 2.786 N/A LEU 121.A N LEU 32.A O no hydrogen 2.782 N/A GLY 122.A N ASN 39.A O no hydrogen 2.956 N/A LEU 123.A N ASP 34.A O no hydrogen 2.881 N/A ALA 124.A N SER 37.A O no hydrogen 2.778 N/A TYR 125.A N TRP 189.A O no hydrogen 2.942 N/A ILE 128.A N TYR 125.A O no hydrogen 3.260 N/A ALA 129.A N ALA 126.A O no hydrogen 2.666 N/A ARG 130.A N ASN 39.A OD1 no hydrogen 2.896 N/A ARG 130.A NE ILE 128.A O no hydrogen 3.577 N/A SER 134.A N ASP 132.A OD2 no hydrogen 3.191 N/A SER 134.A OG ASP 132.A OD2 no hydrogen 2.555 N/A LEU 135.A N ASP 132.A O no hydrogen 3.125 N/A SER 141.A N PRO 137.A O no hydrogen 3.042 N/A SER 141.A OG GLU 136.A OE1 no hydrogen 2.448 N/A SER 141.A OG PRO 137.A O no hydrogen 3.327 N/A LEU 142.A N PHE 138.A O no hydrogen 2.813 N/A VAL 143.A N PHE 139.A O no hydrogen 2.924 N/A LYS 144.A N ASP 140.A O no hydrogen 2.913 N/A GLN 145.A N SER 141.A O no hydrogen 2.873 N/A GLN 145.A NE2 ARG 98.A O no hydrogen 2.955 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.572 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.075 N/A LEU 151.A N PRO 149.A O no hydrogen 2.826 N/A PHE 152.A N PHE 320.A O no hydrogen 3.283 N/A SER 153.A N ILE 167.A O no hydrogen 2.886 N/A SER 153.A OG GLY 170.A O no hydrogen 2.831 N/A SER 153.A OG TYR 317.A OH no hydrogen 2.626 N/A LEU 154.A N VAL 318.A O no hydrogen 2.912 N/A GLN 155.A N SER 165.A O no hydrogen 2.877 N/A GLN 155.A NE2 LEU 175.A O no hydrogen 3.112 N/A GLN 155.A NE2 SER 332.A OG no hydrogen 3.233 N/A CYS 157.A N GLY 163.A O no hydrogen 2.820 N/A CYS 157.A SG GLN 155.A OE1 no hydrogen 3.248 N/A GLY 158.A N TYR 16.A OH no hydrogen 2.857 N/A VAL 162.A N GLY 10.A O no hydrogen 2.816 N/A GLY 164.A N LEU 8.A O no hydrogen 3.189 N/A SER 165.A N GLN 155.A O no hydrogen 2.836 N/A MET 166.A N ASN 7.A OD1 no hydrogen 2.817 N/A ILE 167.A N SER 153.A O no hydrogen 2.880 N/A GLY 169.A N LEU 151.A O no hydrogen 2.768 N/A ASP 172.A N TYR 317.A OH no hydrogen 3.043 N/A HIS 173.A ND1 TYR 176.A OH no hydrogen 3.176 N/A SER 174.A N ASP 172.A OD1 no hydrogen 2.668 N/A SER 174.A OG ASP 172.A OD1 no hydrogen 2.514 N/A LEU 175.A N ASP 172.A O no hydrogen 2.899 N/A TYR 176.A OH HIS 173.A ND1 no hydrogen 3.176 N/A THR 177.A N VAL 331.A O no hydrogen 3.046 N/A SER 179.A OG LEU 180.A O no hydrogen 3.165 N/A TRP 181.A N PHE 329.A O no hydrogen 2.882 N/A THR 183.A N ILE 327.A O no hydrogen 2.868 N/A THR 183.A OG1 MET 272.A O no hydrogen 2.462 N/A ILE 185.A N LYS 325.A O no hydrogen 2.818 N/A ARG 186.A N GLU 192.A O no hydrogen 2.762 N/A ARG 186.A NH1 GLU 192.A OE2 no hydrogen 3.166 N/A ARG 186.A NH1 TYR 359.A O no hydrogen 2.699 N/A ARG 186.A NH2 TYR 359.A O no hydrogen 2.711 N/A ARG 187.A NH1 GLU 127.A OE2 no hydrogen 2.557 N/A TRP 189.A N ARG 187.A O no hydrogen 2.991 N/A TRP 189.A N TYR 190.A O no hydrogen 3.152 N/A TRP 189.A NE1 GLU 192.A OE1 no hydrogen 2.927 N/A TYR 191.A OH LEU 123.A O no hydrogen 2.680 N/A VAL 193.A N SER 217.A O no hydrogen 2.883 N/A ILE 195.A N ASN 213.A OD1 no hydrogen 2.824 N/A VAL 196.A N TYR 270.A O no hydrogen 2.824 N/A ARG 197.A NE GLU 199.A OE2 no hydrogen 3.261 N/A GLU 199.A N SER 268.A O no hydrogen 2.827 N/A ILE 200.A N GLN 203.A O no hydrogen 2.770 N/A ASN 201.A N VAL 266.A O no hydrogen 3.033 N/A GLN 203.A N ILE 200.A O no hydrogen 3.039 N/A LEU 205.A N VAL 198.A O no hydrogen 2.976 N/A LYS 206.A N ASP 204.A OD2 no hydrogen 2.827 N/A MET 207.A N TYR 212.A OH no hydrogen 3.389 N/A LYS 210.A N ASP 208.A OD1 no hydrogen 2.897 N/A LYS 210.A NZ ASP 356.A O no hydrogen 2.518 N/A GLU 211.A N ASP 208.A O no hydrogen 2.806 N/A TYR 212.A N CYS 209.A O no hydrogen 2.902 N/A ASN 213.A N LYS 210.A O no hydrogen 3.070 N/A ASN 213.A ND2 ILE 195.A O no hydrogen 2.864 N/A ASN 213.A ND2 CYS 357.A O no hydrogen 2.903 N/A SER 217.A OG ASN 213.A OD1 no hydrogen 2.659 N/A ILE 218.A N THR 306.A O no hydrogen 2.942 N/A VAL 219.A N TYR 191.A O no hydrogen 2.980 N/A ASP 220.A N MET 308.A O no hydrogen 2.943 N/A SER 221.A N THR 35.A OG1 no hydrogen 2.928 N/A SER 221.A OG VAL 33.A O no hydrogen 2.735 N/A GLY 222.A N ASP 220.A OD1 no hydrogen 2.719 N/A THR 223.A N ASP 220.A O no hydrogen 3.129 N/A THR 223.A OG1 ASP 220.A OD2 no hydrogen 2.710 N/A LEU 226.A N ALA 298.A O no hydrogen 3.074 N/A ARG 227.A N VAL 307.A O no hydrogen 2.877 N/A LEU 228.A N SER 300.A O no hydrogen 2.804 N/A VAL 232.A N PRO 229.A O no hydrogen 2.772 N/A PHE 233.A N PRO 229.A O no hydrogen 2.972 N/A GLU 234.A N LYS 230.A O no hydrogen 2.918 N/A ALA 236.A N VAL 232.A O no hydrogen 2.996 N/A VAL 237.A N PHE 233.A O no hydrogen 2.896 N/A LYS 238.A N GLU 234.A O no hydrogen 2.932 N/A SER 239.A N ALA 235.A O no hydrogen 2.947 N/A SER 239.A OG ALA 235.A O no hydrogen 2.916 N/A ILE 240.A N ALA 236.A O no hydrogen 2.940 N/A LYS 241.A N VAL 237.A O no hydrogen 2.841 N/A ALA 242.A N LYS 238.A O no hydrogen 3.021 N/A ALA 243.A N SER 239.A O no hydrogen 3.271 N/A ALA 243.A N ILE 240.A O no hydrogen 3.081 N/A LYS 245.A N GLU 244.A OE2 no hydrogen 2.778 N/A PHE 250.A N PRO 247.A O no hydrogen 3.194 N/A LEU 252.A N ASP 248.A O no hydrogen 3.319 N/A GLY 253.A N PHE 250.A O no hydrogen 2.969 N/A GLU 254.A N GLY 249.A O no hydrogen 2.814 N/A ILE 267.A N ILE 284.A O no hydrogen 2.950 N/A SER 268.A N GLU 199.A O no hydrogen 2.864 N/A SER 268.A OG THR 283.A OG1 no hydrogen 2.571 N/A LEU 269.A N ILE 282.A O no hydrogen 2.834 N/A TYR 270.A N ARG 197.A O no hydrogen 2.809 N/A TYR 270.A OH GLU 199.A OE2 no hydrogen 2.680 N/A LEU 271.A N PHE 280.A O no hydrogen 2.823 N/A MET 272.A N ILE 194.A O no hydrogen 3.027 N/A GLY 273.A N GLN 278.A O no hydrogen 2.920 N/A VAL 275.A N GLN 278.A OE1 no hydrogen 3.224 N/A GLN 278.A N VAL 275.A O no hydrogen 2.960 N/A GLN 278.A NE2 SER 279.A O no hydrogen 3.071 N/A SER 279.A N PHE 349.A O no hydrogen 2.938 N/A SER 279.A OG THR 351.A OG1 no hydrogen 2.809 N/A PHE 280.A N LEU 271.A O no hydrogen 3.021 N/A ARG 281.A N GLU 346.A O no hydrogen 2.844 N/A ARG 281.A NE GLU 346.A OE2 no hydrogen 3.043 N/A ARG 281.A NH1 TYR 270.A OH no hydrogen 2.954 N/A ARG 281.A NH2 GLU 346.A OE1 no hydrogen 3.395 N/A ARG 281.A NH2 GLU 346.A OE2 no hydrogen 2.917 N/A ILE 282.A N LEU 269.A O no hydrogen 2.860 N/A THR 283.A N ALA 344.A O no hydrogen 2.838 N/A THR 283.A OG1 SER 268.A OG no hydrogen 2.571 N/A ILE 284.A N ILE 267.A O no hydrogen 2.920 N/A LEU 285.A N GLN 288.A OE1 no hydrogen 3.150 N/A GLN 287.A NE2 ASP 338.A OD1 no hydrogen 2.764 N/A GLN 288.A N LEU 285.A O no hydrogen 2.948 N/A TYR 289.A OH PRO 265.A O no hydrogen 2.504 N/A LEU 290.A N PRO 286.A O no hydrogen 2.535 N/A ARG 291.A N LYS 296.A O no hydrogen 3.162 N/A VAL 293.A N CYS 294.A O no hydrogen 3.270 N/A LYS 296.A N ARG 291.A O no hydrogen 2.943 N/A LYS 296.A NZ ASN 225.A OD1 no hydrogen 3.476 N/A LYS 296.A NZ PHE 297.A O no hydrogen 3.277 N/A ALA 298.A N TYR 289.A O no hydrogen 2.926 N/A SER 300.A N LEU 226.A O no hydrogen 3.045 N/A SER 300.A OG ASN 225.A OD1 no hydrogen 2.400 N/A SER 302.A OG GLY 305.A O no hydrogen 2.666 N/A THR 304.A N SER 302.A OG no hydrogen 2.698 N/A THR 306.A N LYS 216.A O no hydrogen 2.716 N/A THR 306.A OG1 TYR 212.A O no hydrogen 2.649 N/A VAL 307.A N ARG 227.A O no hydrogen 2.798 N/A MET 308.A N ILE 218.A O no hydrogen 2.909 N/A GLY 309.A N ASN 225.A O no hydrogen 3.212 N/A ALA 310.A N THR 223.A O no hydrogen 2.796 N/A VAL 311.A N THR 224.A O no hydrogen 2.986 N/A ILE 312.A N GLY 309.A O no hydrogen 2.889 N/A MET 313.A N GLY 309.A O no hydrogen 2.967 N/A GLU 314.A N ALA 310.A O no hydrogen 2.863 N/A GLY 315.A N ILE 312.A O no hydrogen 3.269 N/A PHE 316.A N MET 313.A O no hydrogen 3.058 N/A TYR 317.A N ALA 330.A O no hydrogen 2.821 N/A VAL 318.A N LEU 154.A O no hydrogen 2.954 N/A VAL 319.A N GLY 328.A O no hydrogen 2.836 N/A PHE 320.A N PHE 152.A O no hydrogen 2.829 N/A ASP 321.A N ARG 326.A O no hydrogen 2.846 N/A ARG 322.A N PHE 320.A O no hydrogen 3.096 N/A ARG 322.A NE ASN 150.A OD1 no hydrogen 2.908 N/A ARG 322.A NH1 ASP 140.A OD2 no hydrogen 2.675 N/A ARG 322.A NH2 TYR 191.A OH no hydrogen 3.022 N/A ALA 323.A N ASN 150.A O no hydrogen 2.878 N/A ARG 324.A N ASP 321.A O no hydrogen 3.058 N/A ARG 324.A N ASP 321.A OD1 no hydrogen 3.071 N/A ARG 324.A NE ASP 321.A OD2 no hydrogen 3.256 N/A LYS 325.A N ARG 322.A O no hydrogen 3.033 N/A ARG 326.A N ASP 321.A O no hydrogen 2.982 N/A ARG 326.A NE ASP 321.A OD2 no hydrogen 2.926 N/A ARG 326.A NH1 GLU 274.A OE2 no hydrogen 2.856 N/A ARG 326.A NH2 ASP 321.A OD2 no hydrogen 3.116 N/A ILE 327.A N THR 183.A O no hydrogen 2.852 N/A GLY 328.A N VAL 319.A O no hydrogen 2.855 N/A PHE 329.A N TRP 181.A O no hydrogen 2.847 N/A ALA 330.A N TYR 317.A O no hydrogen 3.012 N/A SER 332.A N GLY 315.A O no hydrogen 3.174 N/A ALA 333.A N LEU 175.A O no hydrogen 2.797 N/A CYS 334.A N SER 332.A OG no hydrogen 3.160 N/A CYS 334.A SG LEU 156.A O no hydrogen 3.854 N/A CYS 334.A SG SER 332.A OG no hydrogen 3.421 N/A HIS 335.A N SER 332.A O no hydrogen 3.335 N/A HIS 335.A ND1 SER 332.A O no hydrogen 2.929 N/A HIS 337.A ND1 HIS 335.A O no hydrogen 3.099 N/A THR 342.A OG1 ALA 343.A O no hydrogen 3.046 N/A ALA 343.A N HIS 335.A NE2 no hydrogen 2.986 N/A ALA 344.A N THR 283.A O no hydrogen 2.967 N/A GLU 346.A N ARG 281.A O no hydrogen 2.942 N/A PHE 349.A N SER 279.A O no hydrogen 2.950 N/A THR 351.A N ASN 277.A O no hydrogen 2.981 N/A THR 351.A OG1 SER 279.A OG no hydrogen 2.809 N/A CYS 357.A N MET 354.A O no hydrogen 3.009 N/A CYS 357.A SG ASP 353.A O no hydrogen 3.928 N/A GLY 358.A N GLU 355.A O no hydrogen 3.069 N/A