Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 12.A N GLY 354.A O no hydrogen 2.878 N/A LYS 16.A N LYS 349.A O no hydrogen 2.854 N/A THR 19.A OG1 ASP 69.A OD2 no hydrogen 3.010 N/A LEU 22.A N GLN 73.A OE1 no hydrogen 3.307 N/A PHE 23.A N CYS 115.A O no hydrogen 3.226 N/A CYS 24.A SG ALA 43.A O no hydrogen 3.355 N/A ALA 25.A N HIS 113.A O no hydrogen 2.827 N/A SER 26.A N VAL 45.A O no hydrogen 2.970 N/A LYS 29.A N ASN 37.A OD1 no hydrogen 3.083 N/A ASP 32.A N LYS 29.A O no hydrogen 3.329 N/A GLU 34.A N ASP 32.A OD1 no hydrogen 3.146 N/A VAL 35.A N SER 106.A O no hydrogen 3.511 N/A HIS 36.A N GLU 34.A OE1 no hydrogen 2.979 N/A ASN 37.A N GLU 34.A OE2 no hydrogen 3.324 N/A ASN 37.A ND2 GLU 34.A OE2 no hydrogen 2.780 N/A VAL 38.A N GLU 34.A O no hydrogen 2.952 N/A TRP 39.A N VAL 35.A O no hydrogen 2.833 N/A ALA 40.A N HIS 36.A O no hydrogen 2.817 N/A THR 41.A N ASN 37.A O no hydrogen 2.967 N/A THR 41.A OG1 ASN 37.A O no hydrogen 2.822 N/A HIS 42.A N VAL 38.A O no hydrogen 3.332 N/A ALA 43.A N ALA 40.A O no hydrogen 3.184 N/A VAL 45.A N CYS 24.A O no hydrogen 2.904 N/A THR 47.A OG1 SER 26.A O no hydrogen 3.305 N/A THR 47.A OG1 ASP 27.A OD1 no hydrogen 2.578 N/A VAL 54.A N THR 141.A O no hydrogen 3.021 N/A GLU 61.A N CYS 136.A O no hydrogen 3.045 N/A PHE 63.A N GLY 134.A O no hydrogen 2.908 N/A MET 65.A N GLY 132.A O no hydrogen 3.036 N/A LYS 67.A N ASN 64.A O no hydrogen 2.924 N/A ASN 68.A ND2 LEU 342.A O no hydrogen 3.170 N/A MET 70.A N ASN 68.A OD1 no hydrogen 3.155 N/A VAL 71.A N ASN 68.A O no hydrogen 2.947 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.934 N/A GLN 73.A NE2 THR 20.A O no hydrogen 2.829 N/A MET 74.A N MET 70.A O no hydrogen 3.080 N/A HIS 75.A N VAL 71.A O no hydrogen 2.850 N/A GLU 76.A N GLU 72.A O no hydrogen 3.303 N/A ASP 77.A N GLN 73.A O no hydrogen 3.243 N/A ILE 78.A N MET 74.A O no hydrogen 2.966 N/A ILE 79.A N HIS 75.A O no hydrogen 2.967 N/A SER 80.A N GLU 76.A O no hydrogen 2.942 N/A LEU 81.A N ILE 78.A O no hydrogen 3.229 N/A TRP 82.A N ILE 78.A O no hydrogen 3.141 N/A ASP 83.A N ILE 79.A O no hydrogen 3.113 N/A GLN 84.A N LEU 81.A O no hydrogen 3.246 N/A GLN 84.A NE2 SER 80.A O no hydrogen 3.065 N/A SER 85.A N TRP 82.A O no hydrogen 3.238 N/A SER 85.A OG LEU 81.A O no hydrogen 2.841 N/A LYS 87.A NZ ASP 83.A O no hydrogen 3.178 N/A CYS 89.A N MET 293.A O no hydrogen 2.674 N/A VAL 90.A N MET 293.A O no hydrogen 3.241 N/A LYS 91.A N ILE 98.A O no hydrogen 2.995 N/A LEU 92.A N LYS 291.A O no hydrogen 2.986 N/A THR 93.A N SER 96.A O no hydrogen 3.014 N/A SER 96.A N THR 93.A O no hydrogen 3.223 N/A ILE 98.A N LYS 91.A O no hydrogen 3.120 N/A GLN 100.A N CYS 89.A O no hydrogen 3.160 N/A GLN 100.A NE2 PRO 88.A O no hydrogen 2.973 N/A LYS 104.A NZ GLU 249.A OE1 no hydrogen 3.324 N/A LYS 104.A NZ ALA 295.A O no hydrogen 3.263 N/A GLU 108.A N GLU 34.A OE1 no hydrogen 3.439 N/A ILE 112.A N ILE 148.A O no hydrogen 3.062 N/A HIS 113.A N ALA 25.A O no hydrogen 2.921 N/A HIS 113.A ND1 THR 145.A O no hydrogen 3.053 N/A TYR 114.A N THR 145.A OG1 no hydrogen 2.803 N/A TYR 114.A OH ASP 77.A OD2 no hydrogen 2.787 N/A CYS 115.A N PHE 23.A O no hydrogen 2.801 N/A CYS 115.A SG HIS 113.A O no hydrogen 3.797 N/A ALA 116.A N GLN 143.A O no hydrogen 3.003 N/A PHE 120.A N PRO 117.A O no hydrogen 3.379 N/A ALA 121.A N VAL 348.A O no hydrogen 2.965 N/A ILE 122.A N VAL 142.A O no hydrogen 3.423 N/A LEU 123.A N LYS 346.A O no hydrogen 2.867 N/A LYS 124.A N SER 140.A O no hydrogen 2.762 N/A CYS 125.A N LYS 344.A O no hydrogen 2.881 N/A ASN 126.A N ASN 138.A O no hydrogen 2.988 N/A ASN 126.A ND2 SER 140.A OG no hydrogen 3.383 N/A THR 129.A OG1 GLU 165.A OE1 no hydrogen 3.153 N/A THR 133.A N ASN 131.A OD1 no hydrogen 2.878 N/A THR 133.A OG1 ASN 131.A OD1 no hydrogen 3.522 N/A GLY 134.A N PHE 63.A O no hydrogen 3.270 N/A CYS 136.A N GLU 61.A O no hydrogen 2.593 N/A SER 140.A OG ASN 126.A OD1 no hydrogen 3.105 N/A THR 141.A N VAL 54.A O no hydrogen 3.128 N/A VAL 142.A N ILE 122.A O no hydrogen 2.957 N/A THR 145.A N TYR 114.A O no hydrogen 2.910 N/A THR 145.A OG1 HIS 146.A O no hydrogen 3.209 N/A HIS 146.A N HIS 146.A ND1 no hydrogen 2.990 N/A HIS 146.A N TYR 345.A OH no hydrogen 3.134 N/A HIS 146.A NE2 GLU 341.A OE1 no hydrogen 2.726 N/A ILE 148.A N ILE 112.A O no hydrogen 2.946 N/A VAL 151.A N ARG 149.A O no hydrogen 2.782 N/A SER 153.A OG LEU 156.A O no hydrogen 2.863 N/A SER 154.A N TRP 243.A O no hydrogen 2.931 N/A SER 154.A OG GLU 238.A O no hydrogen 2.690 N/A SER 154.A OG THR 241.A O no hydrogen 3.253 N/A SER 154.A OG TRP 243.A O no hydrogen 3.492 N/A GLN 155.A N GLY 330.A O no hydrogen 2.802 N/A GLN 155.A NE2 ILE 239.A O no hydrogen 2.888 N/A GLN 155.A NE2 VAL 240.A O no hydrogen 2.893 N/A LEU 156.A N SER 154.A O no hydrogen 2.547 N/A LEU 157.A N GLY 310.A O no hydrogen 2.814 N/A ASN 159.A N ASN 307.A O no hydrogen 2.870 N/A SER 161.A N GLU 341.A OE2 no hydrogen 2.856 N/A SER 161.A OG HIS 146.A NE2 no hydrogen 3.245 N/A SER 161.A OG GLU 341.A OE1 no hydrogen 2.800 N/A SER 161.A OG GLU 341.A OE2 no hydrogen 3.185 N/A ALA 163.A N LEU 185.A O no hydrogen 2.827 N/A VAL 168.A N GLN 184.A O no hydrogen 2.985 N/A ARG 170.A N ILE 182.A O no hydrogen 2.825 N/A ARG 170.A NE PHE 130.A O no hydrogen 3.109 N/A ARG 170.A NH1 GLN 184.A OE1 no hydrogen 2.794 N/A ARG 170.A NH2 PHE 130.A O no hydrogen 2.968 N/A ARG 170.A NH2 GLN 184.A OE1 no hydrogen 3.034 N/A ASN 173.A N SER 171.A OG no hydrogen 3.111 N/A THR 175.A N ASN 173.A OD1 no hydrogen 3.184 N/A ASP 176.A N ASN 173.A OD1 no hydrogen 3.455 N/A ASN 177.A ND2 ASP 316.A O no hydrogen 2.850 N/A ALA 178.A N ASP 176.A OD1 no hydrogen 2.897 N/A LYS 179.A N ASP 176.A O no hydrogen 3.292 N/A THR 180.A OG1 ASP 336.A OD2 no hydrogen 3.008 N/A ILE 181.A N LEU 313.A O no hydrogen 2.873 N/A ILE 182.A N ARG 170.A O no hydrogen 2.867 N/A VAL 183.A N LEU 311.A O no hydrogen 2.803 N/A GLN 184.A N VAL 168.A O no hydrogen 2.807 N/A GLN 184.A NE2 SER 161.A O no hydrogen 2.890 N/A LEU 185.A N THR 309.A O no hydrogen 2.938 N/A ASN 186.A ND2 GLU 165.A O no hydrogen 3.196 N/A THR 187.A OG1 ASN 186.A OD1 no hydrogen 3.091 N/A VAL 189.A N ILE 308.A O no hydrogen 3.041 N/A ILE 191.A N SER 306.A O no hydrogen 2.974 N/A ASN 192.A N ASN 200.A O no hydrogen 3.091 N/A CYS 193.A N CYS 304.A O no hydrogen 2.931 N/A ALA 196.A N THR 194.A OG1 no hydrogen 3.094 N/A GLY 197.A N THR 194.A O no hydrogen 3.209 N/A CYS 199.A N LEU 275.A O no hydrogen 2.936 N/A ASN 200.A N ASN 192.A O no hydrogen 2.919 N/A ILE 201.A N ILE 273.A O no hydrogen 2.899 N/A ARG 203.A NE SER 270.A O no hydrogen 2.791 N/A TRP 206.A N ALA 202.A O no hydrogen 3.170 N/A TRP 206.A NE1 LEU 258.A O no hydrogen 3.374 N/A ASN 207.A N ARG 203.A O no hydrogen 2.860 N/A ASN 208.A N ALA 204.A O no hydrogen 3.234 N/A THR 209.A N LYS 205.A O no hydrogen 2.970 N/A THR 209.A OG1 LYS 205.A O no hydrogen 2.943 N/A LEU 210.A N TRP 206.A O no hydrogen 3.100 N/A LEU 210.A N ASN 207.A O no hydrogen 3.038 N/A LYS 211.A N ASN 207.A O no hydrogen 3.145 N/A GLN 212.A N ASN 208.A O no hydrogen 2.954 N/A ILE 213.A N THR 209.A O no hydrogen 3.263 N/A ALA 214.A N LEU 210.A O no hydrogen 2.737 N/A SER 215.A N LYS 211.A O no hydrogen 3.042 N/A LYS 216.A N GLN 212.A O no hydrogen 3.085 N/A LYS 216.A NZ GLU 166.A OE1 no hydrogen 3.033 N/A LEU 217.A N ILE 213.A O no hydrogen 2.921 N/A ARG 218.A N ALA 214.A O no hydrogen 2.772 N/A GLU 219.A N SER 215.A O no hydrogen 3.233 N/A GLN 220.A N LYS 216.A O no hydrogen 3.307 N/A PHE 221.A N LEU 217.A O no hydrogen 2.934 N/A ASN 224.A N GLY 222.A O no hydrogen 2.729 N/A LYS 225.A NZ ASN 322.A OD1 no hydrogen 3.373 N/A THR 226.A N GLU 323.A O no hydrogen 3.143 N/A THR 226.A OG1 PHE 264.A O no hydrogen 2.946 N/A ILE 227.A N TRP 263.A O no hydrogen 3.086 N/A ILE 228.A N GLU 325.A O no hydrogen 2.975 N/A PHE 229.A N SER 261.A O no hydrogen 2.919 N/A LYS 230.A N PHE 327.A O no hydrogen 2.988 N/A GLY 234.A N SER 232.A OG no hydrogen 3.266 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.776 N/A ILE 239.A N ASP 236.A O no hydrogen 2.783 N/A VAL 240.A N ASP 236.A O no hydrogen 2.801 N/A THR 241.A N PRO 237.A O no hydrogen 3.257 N/A THR 241.A OG1 PRO 237.A O no hydrogen 2.772 N/A HIS 242.A N CYS 253.A O no hydrogen 2.928 N/A HIS 242.A ND1 SER 154.A O no hydrogen 3.015 N/A TRP 243.A N SER 154.A OG no hydrogen 3.038 N/A PHE 244.A N PHE 251.A O no hydrogen 3.201 N/A CYS 246.A N GLU 249.A O no hydrogen 3.103 N/A GLY 248.A N ASN 245.A OD1 no hydrogen 3.347 N/A PHE 251.A N PHE 244.A O no hydrogen 2.914 N/A TYR 252.A N ARG 278.A O no hydrogen 3.059 N/A TYR 252.A OH GLU 238.A OE2 no hydrogen 2.732 N/A ASN 254.A N PRO 276.A O no hydrogen 2.883 N/A SER 255.A OG GLN 155.A OE1 no hydrogen 2.741 N/A THR 256.A N ASN 254.A OD1 no hydrogen 3.333 N/A THR 256.A OG1 GLN 231.A OE1 no hydrogen 3.293 N/A THR 256.A OG1 ASN 254.A OD1 no hydrogen 2.900 N/A GLN 257.A NE2 THR 274.A O no hydrogen 2.852 N/A LEU 258.A N SER 255.A O no hydrogen 3.047 N/A PHE 259.A N SER 255.A O no hydrogen 3.270 N/A TRP 263.A N ILE 227.A O no hydrogen 2.728 N/A SER 270.A OG THR 272.A O no hydrogen 3.066 N/A ILE 273.A N ILE 201.A O no hydrogen 2.790 N/A LEU 275.A N CYS 199.A O no hydrogen 2.791 N/A CYS 277.A N GLY 197.A O no hydrogen 2.971 N/A CYS 277.A SG LEU 275.A O no hydrogen 3.424 N/A LYS 280.A N PHE 250.A O no hydrogen 3.163 N/A ILE 283.A N ALA 292.A O no hydrogen 2.883 N/A ASN 284.A N GLU 238.A OE2 no hydrogen 2.826 N/A ASN 284.A ND2 GLU 238.A OE1 no hydrogen 2.761 N/A MET 285.A N GLY 290.A O no hydrogen 2.833 N/A GLN 287.A N GLN 287.A OE1 no hydrogen 2.746 N/A LYS 291.A N LEU 92.A O no hydrogen 3.076 N/A LYS 291.A NZ ASN 284.A OD1 no hydrogen 2.908 N/A ALA 292.A N ILE 283.A O no hydrogen 2.823 N/A MET 293.A N VAL 90.A O no hydrogen 3.059 N/A TYR 294.A N GLN 281.A O no hydrogen 2.657 N/A CYS 304.A N CYS 193.A O no hydrogen 3.320 N/A CYS 304.A SG ARG 303.A O no hydrogen 3.306 N/A SER 305.A OG ASN 192.A OD1 no hydrogen 3.157 N/A SER 306.A N ILE 191.A O no hydrogen 3.276 N/A ASN 307.A N ASN 159.A OD1 no hydrogen 3.262 N/A ILE 308.A N VAL 189.A O no hydrogen 2.701 N/A THR 309.A N LEU 157.A O no hydrogen 2.970 N/A THR 309.A OG1 LEU 157.A O no hydrogen 3.562 N/A GLY 310.A N LEU 157.A O no hydrogen 3.279 N/A LEU 311.A N VAL 183.A O no hydrogen 3.132 N/A LEU 312.A N GLN 155.A O no hydrogen 2.904 N/A LEU 313.A N ILE 181.A O no hydrogen 3.238 N/A THR 314.A N ARG 328.A O no hydrogen 2.937 N/A THR 314.A OG1 ARG 328.A O no hydrogen 3.436 N/A ARG 315.A NH1 GLU 325.A OE1 no hydrogen 2.792 N/A ARG 315.A NH2 PHE 174.A O no hydrogen 3.455 N/A ASP 316.A N ILE 326.A O no hydrogen 3.074 N/A GLU 325.A N THR 226.A O no hydrogen 2.817 N/A PHE 327.A N ILE 228.A O no hydrogen 2.885 N/A ARG 328.A N THR 314.A O no hydrogen 3.001 N/A ARG 328.A NE ASP 316.A OD1 no hydrogen 3.259 N/A ARG 328.A NE ASP 316.A OD2 no hydrogen 2.905 N/A ARG 328.A NH1 GLN 231.A O no hydrogen 2.845 N/A GLY 330.A N LEU 312.A O no hydrogen 2.791 N/A ARG 335.A N ASP 333.A OD1 no hydrogen 3.410 N/A ARG 335.A NH1 ASP 333.A OD1 no hydrogen 3.130 N/A ASP 336.A N ASP 333.A O no hydrogen 3.067 N/A ASN 337.A ND2 SER 153.A O no hydrogen 3.153 N/A TRP 338.A N MET 334.A O no hydrogen 3.123 N/A ARG 339.A N ARG 335.A O no hydrogen 2.730 N/A SER 340.A N ASN 337.A O no hydrogen 3.397 N/A SER 340.A OG ASN 337.A O no hydrogen 2.697 N/A GLU 341.A N TRP 338.A O no hydrogen 2.808 N/A LEU 342.A N TRP 338.A O no hydrogen 2.876 N/A TYR 345.A OH HIS 146.A ND1 no hydrogen 2.638 N/A LYS 346.A NZ GLU 17.A OE2 no hydrogen 2.939 N/A LYS 346.A NZ GLU 61.A OE2 no hydrogen 2.954 N/A LYS 346.A NZ ASN 62.A O no hydrogen 2.830 N/A VAL 348.A N ALA 121.A O no hydrogen 2.789 N/A LYS 349.A N LYS 16.A O no hydrogen 2.712 N/A LYS 349.A NZ GLY 119.A O no hydrogen 3.331 N/A ILE 350.A N GLY 119.A O no hydrogen 3.397 N/A GLU 351.A N VAL 14.A O no hydrogen 3.017 N/A GLY 354.A N VAL 12.A O no hydrogen 2.852 N/A