Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5wt1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG VAL 55.A O no hydrogen 2.843 N/A SER 2.A OG ASP 56.A OD1 no hydrogen 2.277 N/A GLY 3.A N VAL 55.A O no hydrogen 2.712 N/A LYS 5.A N GLU 53.A O no hydrogen 3.350 N/A VAL 6.A N VAL 37.A O no hydrogen 2.909 N/A ASP 10.A N ARG 7.A O no hydrogen 2.793 N/A ALA 11.A N ARG 8.A O no hydrogen 3.164 N/A VAL 14.A N ASP 10.A O no hydrogen 2.919 N/A LEU 15.A N ALA 11.A O no hydrogen 2.915 N/A GLU 16.A N LYS 12.A O no hydrogen 2.986 N/A LEU 17.A N LYS 13.A O no hydrogen 2.915 N/A LEU 18.A N VAL 14.A O no hydrogen 2.888 N/A LYS 19.A N LEU 15.A O no hydrogen 2.973 N/A SER 20.A N GLU 16.A O no hydrogen 2.872 N/A VAL 21.A N LEU 17.A O no hydrogen 2.978 N/A GLY 22.A N LEU 18.A O no hydrogen 2.600 N/A ILE 23.A N LEU 18.A O no hydrogen 3.252 N/A ASP 25.A N PRO 40.A O no hydrogen 2.848 N/A LYS 27.A N ASP 25.A OD1 no hydrogen 2.672 N/A ARG 28.A NE ASP 25.A OD2 no hydrogen 2.538 N/A ARG 28.A NH1 SER 2.A O no hydrogen 3.043 N/A ARG 28.A NH2 SER 2.A O no hydrogen 3.358 N/A ARG 28.A NH2 ASP 25.A OD2 no hydrogen 2.661 N/A ARG 28.A NH2 VAL 41.A O no hydrogen 2.716 N/A ASP 33.A N TYR 36.A O no hydrogen 2.876 N/A TYR 36.A N ASP 33.A OD2 no hydrogen 2.321 N/A VAL 37.A N VAL 6.A O no hydrogen 2.848 N/A ILE 38.A N ILE 31.A O no hydrogen 2.929 N/A PHE 39.A N VAL 4.A O no hydrogen 2.914 N/A VAL 41.A N SER 2.A O no hydrogen 2.890 N/A THR 42.A N ILE 23.A O no hydrogen 2.608 N/A THR 42.A OG1 ILE 23.A O no hydrogen 3.190 N/A ASN 45.A N ASP 43.A OD2 no hydrogen 2.662 N/A LYS 48.A N THR 44.A O no hydrogen 2.885 N/A SER 49.A N ASN 45.A O no hydrogen 2.914 N/A SER 49.A OG ILE 46.A O no hydrogen 2.745 N/A LEU 50.A N ILE 46.A O no hydrogen 2.957 N/A GLY 51.A N LYS 48.A O no hydrogen 2.700 N/A LEU 52.A N ALA 47.A O no hydrogen 3.062 N/A VAL 55.A N GLY 3.A O no hydrogen 2.894 N/A ARG 62.A N LYS 27.A O no hydrogen 3.248 N/A ARG 62.A NH1 GLY 26.A O no hydrogen 3.230 N/A ARG 62.A NH2 GLN 66.A OE1 no hydrogen 3.408 N/A GLN 66.A N PRO 63.A O no hydrogen 2.919 N/A ILE 67.A N GLU 64.A O no hydrogen 2.992 N/A LYS 69.A NZ GLU 64.A O no hydrogen 2.946 N/A LYS 69.A NZ ILE 67.A O no hydrogen 2.961 N/A ASN 70.A N ASP 73.A OD2 no hydrogen 3.126 N/A ASP 73.A N ASN 70.A OD1 no hydrogen 2.364 N/A LEU 75.A N GLU 72.A O no hydrogen 3.368 N/A PHE 80.A N PRO 76.A O no hydrogen 3.207 N/A LYS 81.A N ARG 77.A O no hydrogen 2.944 N/A LYS 82.A N GLU 78.A O no hydrogen 2.977 N/A LEU 83.A N ILE 79.A O no hydrogen 2.844 N/A ASP 87.A N ILE 94.A O no hydrogen 2.885 N/A VAL 89.A N ILE 92.A O no hydrogen 2.894 N/A GLY 90.A N HIS 150.A ND1 no hydrogen 3.195 N/A ILE 92.A N VAL 89.A O no hydrogen 2.915 N/A ALA 93.A N VAL 121.A O no hydrogen 2.607 N/A ILE 94.A N ASP 87.A O no hydrogen 2.826 N/A VAL 95.A N ALA 123.A O no hydrogen 3.279 N/A SER 103.A OG GLU 104.A OE1 no hydrogen 2.750 N/A GLU 104.A N ILE 101.A O no hydrogen 3.031 N/A ARG 105.A N LEU 102.A O no hydrogen 2.848 N/A GLU 106.A N SER 103.A O no hydrogen 3.085 N/A ILE 108.A N GLU 104.A O no hydrogen 2.362 N/A VAL 109.A N ARG 105.A O no hydrogen 2.564 N/A SER 110.A N GLU 106.A O no hydrogen 3.221 N/A SER 110.A OG VAL 107.A O no hydrogen 2.610 N/A ALA 111.A N VAL 107.A O no hydrogen 3.210 N/A ILE 112.A N ILE 108.A O no hydrogen 3.152 N/A ARG 113.A N VAL 109.A O no hydrogen 3.085 N/A LYS 114.A N SER 110.A O no hydrogen 2.655 N/A LYS 114.A NZ GLU 64.A OE1 no hydrogen 2.515 N/A LEU 115.A N ALA 111.A O no hydrogen 2.719 N/A LEU 115.A N ILE 112.A O no hydrogen 2.941 N/A TYR 116.A N ILE 112.A O no hydrogen 2.524 N/A LYS 120.A N ASP 91.A O no hydrogen 3.032 N/A VAL 121.A N ASP 91.A O no hydrogen 3.149 N/A ILE 122.A N TRP 141.A O no hydrogen 2.885 N/A ALA 123.A N ALA 93.A O no hydrogen 2.891 N/A ARG 124.A N GLU 138.A O no hydrogen 2.457 N/A ARG 124.A NE ILE 97.A O no hydrogen 2.708 N/A ARG 124.A NH2 ILE 97.A O no hydrogen 3.007 N/A GLY 126.A N GLU 136.A O no hydrogen 2.760 N/A PHE 127.A N GLU 136.A OE2 no hydrogen 3.005 N/A HIS 128.A ND1 ARG 133.A O no hydrogen 2.859 N/A SER 129.A N ILE 134.A O no hydrogen 3.191 N/A ARG 133.A NH1 GLY 130.A O no hydrogen 2.973 N/A ARG 135.A NE GLY 126.A O no hydrogen 3.148 N/A GLU 136.A N PHE 127.A O no hydrogen 2.840 N/A GLU 138.A N ARG 124.A O no hydrogen 3.122 N/A ILE 140.A N ILE 122.A O no hydrogen 2.841 N/A TRP 141.A N ILE 122.A O no hydrogen 2.972 N/A GLU 143.A N LYS 120.A O no hydrogen 3.270 N/A ARG 145.A N GLU 143.A O no hydrogen 2.791 N/A ARG 145.A NH1 HIS 147.A O no hydrogen 3.304 N/A ARG 145.A NH2 ASP 91.A OD2 no hydrogen 3.527 N/A THR 148.A N VAL 159.A O no hydrogen 2.875 N/A THR 148.A OG1 HIS 147.A O no hydrogen 2.430 N/A HIS 150.A N ILE 157.A O no hydrogen 2.881 N/A GLU 152.A N VAL 155.A O no hydrogen 2.947 N/A VAL 155.A N GLU 152.A O no hydrogen 2.909 N/A LEU 156.A N ASN 229.A OD1 no hydrogen 2.810 N/A ILE 157.A N HIS 150.A O no hydrogen 2.840 N/A LYS 158.A N ASN 225.A OD1 no hydrogen 2.225 N/A LYS 158.A NZ GLU 224.A OE1 no hydrogen 2.282 N/A VAL 159.A N THR 148.A O no hydrogen 2.953 N/A LEU 161.A N LEU 146.A O no hydrogen 2.795 N/A SER 162.A N ASP 160.A OD2 no hydrogen 3.297 N/A SER 162.A OG ASP 160.A OD2 no hydrogen 2.856 N/A LYS 163.A N ASP 160.A O no hydrogen 2.950 N/A LYS 163.A NZ ASP 160.A OD1 no hydrogen 3.075 N/A LYS 163.A NZ SER 162.A OG no hydrogen 3.032 N/A ARG 169.A NE ASP 87.A OD1 no hydrogen 2.631 N/A ARG 169.A NH2 ASP 87.A OD1 no hydrogen 2.949 N/A ARG 169.A NH2 ASP 87.A OD2 no hydrogen 2.681 N/A LYS 171.A N PRO 168.A O no hydrogen 2.974 N/A GLY 172.A N ARG 169.A O no hydrogen 3.054 N/A ARG 174.A N MET 170.A O no hydrogen 2.824 N/A ARG 174.A NE GLU 152.A OE2 no hydrogen 2.525 N/A ARG 174.A NH2 GLU 152.A OE1 no hydrogen 2.820 N/A ARG 174.A NH2 GLU 152.A OE2 no hydrogen 3.217 N/A ARG 174.A NH2 ASN 167.A O no hydrogen 3.038 N/A TYR 175.A N LYS 171.A O no hydrogen 2.930 N/A ARG 176.A N GLY 172.A O no hydrogen 3.099 N/A ARG 176.A NH2 GLU 173.A OE2 no hydrogen 3.208 N/A ILE 177.A N GLU 173.A O no hydrogen 2.827 N/A ALA 178.A N ARG 174.A O no hydrogen 2.733 N/A GLN 179.A N TYR 175.A O no hydrogen 2.905 N/A GLN 179.A N ARG 176.A O no hydrogen 2.950 N/A LEU 180.A N ARG 176.A O no hydrogen 3.114 N/A VAL 181.A N ILE 177.A O no hydrogen 3.207 N/A ASN 182.A N GLU 185.A OE1 no hydrogen 3.067 N/A GLY 184.A N ASN 206.A O no hydrogen 2.782 N/A ARG 186.A N ASP 255.A OD1 no hydrogen 2.578 N/A ILE 187.A N GLU 208.A O no hydrogen 2.793 N/A LEU 188.A N ARG 256.A O no hydrogen 3.157 N/A VAL 189.A N TYR 210.A O no hydrogen 2.736 N/A ALA 192.A N VAL 212.A O no hydrogen 3.014 N/A GLY 193.A N GLU 213.A OE1 no hydrogen 2.802 N/A ILE 195.A N ALA 192.A O no hydrogen 2.864 N/A TYR 197.A OH TYR 282.A OH no hydrogen 3.383 N/A LEU 199.A N ILE 195.A O no hydrogen 2.905 N/A VAL 200.A N PRO 196.A O no hydrogen 2.925 N/A ILE 201.A N TYR 197.A O no hydrogen 2.961 N/A ALA 202.A N PRO 198.A O no hydrogen 2.860 N/A ARG 203.A NH1 ARG 232.A O no hydrogen 2.972 N/A PHE 204.A N VAL 200.A O no hydrogen 3.050 N/A PHE 204.A N ILE 201.A O no hydrogen 3.271 N/A LYS 205.A N ILE 201.A O no hydrogen 3.019 N/A LYS 205.A NZ ALA 178.A O no hydrogen 2.997 N/A ASN 206.A N ASP 183.A OD2 no hydrogen 2.574 N/A GLU 208.A N GLU 185.A O no hydrogen 3.355 N/A VAL 209.A N LYS 236.A O no hydrogen 3.017 N/A TYR 210.A N ILE 187.A O no hydrogen 2.657 N/A ALA 211.A N LYS 238.A O no hydrogen 2.900 N/A VAL 212.A N VAL 189.A O no hydrogen 3.139 N/A GLU 213.A N ILE 240.A O no hydrogen 3.079 N/A ASN 215.A N GLU 213.A OE2 no hydrogen 2.415 N/A ASN 215.A ND2 LYS 163.A O no hydrogen 2.527 N/A PHE 217.A N ASN 215.A OD1 no hydrogen 3.124 N/A VAL 219.A N ASN 215.A O no hydrogen 2.917 N/A LYS 220.A N GLU 216.A O no hydrogen 2.980 N/A LEU 221.A N PHE 217.A O no hydrogen 2.963 N/A ALA 222.A N ALA 218.A O no hydrogen 2.889 N/A GLU 223.A N VAL 219.A O no hydrogen 2.925 N/A GLU 224.A N LYS 220.A O no hydrogen 3.008 N/A ASN 225.A N LEU 221.A O no hydrogen 2.922 N/A ASN 225.A ND2 LYS 158.A O no hydrogen 3.255 N/A ASN 225.A ND2 VAL 194.A O no hydrogen 3.048 N/A LEU 226.A N ALA 222.A O no hydrogen 2.898 N/A GLU 227.A N GLU 223.A O no hydrogen 2.951 N/A LEU 228.A N GLU 224.A O no hydrogen 2.896 N/A ASN 229.A N ASN 225.A O no hydrogen 3.013 N/A ASN 229.A N LEU 226.A O no hydrogen 3.105 N/A ASN 229.A ND2 LEU 156.A O no hydrogen 2.765 N/A ASN 229.A ND2 ASN 225.A O no hydrogen 2.450 N/A ARG 230.A N GLU 227.A O no hydrogen 3.427 N/A ASP 231.A N ASP 231.A OD1 no hydrogen 2.295 N/A ARG 232.A N ASN 229.A O no hydrogen 2.725 N/A LEU 233.A N ASN 229.A O no hydrogen 3.244 N/A LYS 234.A N ALA 202.A O no hydrogen 2.856 N/A LYS 234.A NZ PHE 204.A O no hydrogen 3.213 N/A GLY 235.A N ALA 202.A O no hydrogen 3.005 N/A LYS 236.A N VAL 207.A O no hydrogen 2.771 N/A LYS 238.A N VAL 209.A O no hydrogen 3.055 N/A ILE 240.A N ALA 211.A O no hydrogen 2.670 N/A HIS 241.A NE2 ILE 214.A O no hydrogen 3.069 N/A GLY 242.A N GLU 213.A O no hydrogen 3.052 N/A PHE 245.A N ASP 243.A OD1 no hydrogen 2.809 N/A GLU 246.A N ASP 243.A O no hydrogen 2.955 N/A VAL 247.A N ASP 243.A O no hydrogen 2.590 N/A LEU 248.A N VAL 244.A O no hydrogen 2.899 N/A ASN 250.A N VAL 247.A O no hydrogen 3.087 N/A LEU 251.A N LEU 248.A O no hydrogen 3.066 N/A PHE 254.A N LYS 274.A O no hydrogen 3.031 N/A ARG 256.A N ARG 186.A O no hydrogen 3.397 N/A ARG 256.A NE GLU 185.A OE2 no hydrogen 2.525 N/A ARG 256.A NH1 HIS 280.A NE2 no hydrogen 2.957 N/A ARG 256.A NH2 GLU 185.A OE1 no hydrogen 3.137 N/A VAL 257.A N PHE 278.A O no hydrogen 2.884 N/A VAL 258.A N LEU 188.A O no hydrogen 3.066 N/A SER 259.A N HIS 280.A O no hydrogen 2.894 N/A SER 259.A OG THR 261.A OG1 no hydrogen 3.203 N/A THR 261.A N SER 259.A O no hydrogen 2.856 N/A THR 261.A OG1 SER 259.A O no hydrogen 3.304 N/A THR 261.A OG1 SER 259.A OG no hydrogen 3.203 N/A THR 261.A OG1 TYR 282.A O no hydrogen 2.860 N/A VAL 265.A N PRO 262.A O no hydrogen 2.980 N/A ALA 267.A N TYR 281.A OH no hydrogen 3.024 N/A LEU 268.A N ASP 266.A OD1 no hydrogen 3.122 N/A SER 269.A OG GLU 300.A OE2 no hydrogen 2.948 N/A THR 271.A N ALA 267.A O no hydrogen 2.955 N/A THR 271.A OG1 ALA 267.A O no hydrogen 2.839 N/A THR 271.A OG1 LEU 268.A O no hydrogen 3.287 N/A LEU 272.A N LEU 268.A O no hydrogen 2.925 N/A SER 273.A N SER 269.A O no hydrogen 2.882 N/A SER 273.A OG LEU 270.A O no hydrogen 2.286 N/A LYS 274.A N LEU 270.A O no hydrogen 3.033 N/A LYS 274.A N THR 271.A O no hydrogen 3.167 N/A LYS 274.A NZ LEU 248.A O no hydrogen 2.205 N/A LYS 274.A NZ LEU 251.A O no hydrogen 2.958 N/A ALA 275.A N LEU 272.A O no hydrogen 3.184 N/A GLU 276.A N PHE 254.A O no hydrogen 3.364 N/A LYS 277.A N ASP 255.A O no hydrogen 3.174 N/A PHE 278.A N ASP 255.A O no hydrogen 3.040 N/A LEU 279.A N VAL 329.A O no hydrogen 2.962 N/A HIS 280.A N VAL 257.A O no hydrogen 2.753 N/A HIS 280.A ND1 ASP 328.A OD1 no hydrogen 2.901 N/A TYR 281.A N ALA 327.A O no hydrogen 2.964 N/A TYR 282.A N SER 259.A O no hydrogen 3.039 N/A TYR 282.A OH GLU 173.A OE1 no hydrogen 2.223 N/A ASP 283.A N VAL 325.A O no hydrogen 2.930 N/A PHE 284.A N ASP 283.A OD1 no hydrogen 2.606 N/A VAL 285.A N TYR 323.A O no hydrogen 2.938 N/A GLU 287.A N HIS 321.A O no hydrogen 2.854 N/A GLU 289.A N HIS 286.A O no hydrogen 2.939 N/A ILE 290.A N GLU 287.A O no hydrogen 2.931 N/A ARG 292.A NE GLU 289.A OE1 no hydrogen 2.425 N/A ARG 292.A NE GLU 289.A OE2 no hydrogen 3.304 N/A ARG 292.A NH2 GLU 289.A OE2 no hydrogen 2.888 N/A PHE 293.A N GLU 289.A O no hydrogen 2.712 N/A ARG 294.A N ILE 290.A O no hydrogen 3.001 N/A GLU 295.A N GLU 291.A O no hydrogen 3.005 N/A ARG 296.A N ARG 292.A O no hydrogen 2.881 N/A ARG 296.A NH1 ASP 283.A OD2 no hydrogen 3.195 N/A ARG 296.A NH2 ASP 266.A OD1 no hydrogen 3.264 N/A VAL 297.A N PHE 293.A O no hydrogen 3.004 N/A LEU 298.A N ARG 294.A O no hydrogen 2.821 N/A GLU 299.A N GLU 295.A O no hydrogen 2.669 N/A GLU 300.A N ARG 296.A O no hydrogen 2.917 N/A CYS 301.A N VAL 297.A O no hydrogen 2.862 N/A CYS 301.A SG VAL 297.A O no hydrogen 3.438 N/A ARG 302.A N LEU 298.A O no hydrogen 2.966 N/A ARG 303.A N GLU 299.A O no hydrogen 2.818 N/A ARG 303.A NH1 GLU 300.A OE1 no hydrogen 2.665 N/A GLN 304.A N GLU 300.A O no hydrogen 3.034 N/A GLN 304.A N CYS 301.A O no hydrogen 2.973 N/A GLN 304.A NE2 SER 269.A O no hydrogen 2.758 N/A GLN 304.A NE2 GLU 300.A OE2 no hydrogen 3.301 N/A GLY 305.A N ARG 302.A O no hydrogen 3.259 N/A LYS 306.A N CYS 301.A O no hydrogen 3.134 N/A LYS 306.A NZ LEU 272.A O no hydrogen 3.527 N/A LYS 306.A NZ ALA 275.A O no hydrogen 2.928 N/A ARG 309.A N GLU 330.A O no hydrogen 3.051 N/A SER 311.A N ASP 328.A O no hydrogen 3.097 N/A ARG 313.A N CYS 326.A O no hydrogen 3.032 N/A ARG 313.A NH1 GLU 173.A OE1 no hydrogen 3.170 N/A ARG 313.A NH1 GLU 173.A OE2 no hydrogen 3.159 N/A VAL 315.A N LYS 324.A O no hydrogen 2.596 N/A SER 316.A N LYS 324.A O no hydrogen 2.977 N/A TYR 318.A N VAL 322.A O no hydrogen 2.927 N/A LYS 319.A N VAL 322.A O no hydrogen 3.363 N/A VAL 322.A N LYS 319.A O no hydrogen 2.847 N/A TYR 323.A N VAL 285.A O no hydrogen 2.892 N/A LYS 324.A N SER 316.A O no hydrogen 2.846 N/A VAL 325.A N ASP 283.A O no hydrogen 2.885 N/A CYS 326.A N ARG 313.A O no hydrogen 3.031 N/A CYS 326.A SG ALA 327.A O no hydrogen 3.947 N/A CYS 326.A SG ASP 328.A OD1 no hydrogen 3.883 N/A ALA 327.A N TYR 281.A O no hydrogen 2.857 N/A ASP 328.A N SER 311.A O no hydrogen 2.673 N/A VAL 329.A N LEU 279.A O no hydrogen 2.841 N/A GLU 330.A N ARG 309.A O no hydrogen 2.962 N/A ILE 331.A N LYS 277.A O no hydrogen 2.804 N/A LEU 332.A N GLU 307.A O no hydrogen 2.866 N/A