Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rez_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N LEU 18.A O no hydrogen 2.239 N/A GLU 3.A N ASN 48.A OD1 no hydrogen 3.096 N/A VAL 4.A N VAL 16.A O no hydrogen 3.127 N/A LEU 5.A N HIS 50.A O no hydrogen 3.216 N/A VAL 6.A N ARG 14.A O no hydrogen 2.840 N/A THR 7.A N LEU 52.A O no hydrogen 2.958 N/A THR 7.A OG1 ASN 12.A O no hydrogen 2.784 N/A ASP 9.A N THR 7.A OG1 no hydrogen 3.195 N/A GLY 10.A N THR 7.A OG1 no hydrogen 2.894 N/A VAL 11.A N ASP 9.A OD1 no hydrogen 2.730 N/A ASN 12.A N ASP 9.A OD1 no hydrogen 2.639 N/A ARG 14.A N VAL 6.A O no hydrogen 3.076 N/A ARG 14.A NE GLU 62.A OE2 no hydrogen 2.791 N/A ARG 14.A NH2 GLU 62.A OE1 no hydrogen 3.005 N/A VAL 16.A N VAL 4.A O no hydrogen 2.997 N/A LEU 18.A N ILE 2.A O no hydrogen 2.314 N/A ASN 19.A N GLN 27.A OE1 no hydrogen 2.725 N/A LYS 21.A N ASN 19.A OD1 no hydrogen 2.833 N/A ASN 22.A N ASN 19.A OD1 no hydrogen 3.286 N/A THR 23.A OG1 SER 26.A OG no hydrogen 2.944 N/A TYR 24.A N THR 41.A O no hydrogen 3.395 N/A TYR 24.A OH GLN 47.A OE1 no hydrogen 2.363 N/A ARG 25.A N SER 39.A O no hydrogen 2.707 N/A ARG 25.A NH1 ASP 40.A OD1 no hydrogen 2.792 N/A SER 26.A OG THR 23.A O no hydrogen 2.521 N/A SER 26.A OG THR 23.A OG1 no hydrogen 2.944 N/A GLN 27.A N THR 23.A O no hydrogen 2.988 N/A GLN 27.A NE2 ASN 19.A O no hydrogen 2.498 N/A GLN 27.A NE2 ASN 22.A O no hydrogen 3.322 N/A LEU 28.A N TYR 24.A O no hydrogen 2.668 N/A GLY 29.A N TYR 24.A O no hydrogen 2.975 N/A CYS 30.A N ASP 56.A OD1 no hydrogen 2.660 N/A CYS 30.A SG ASP 37.A OD2 no hydrogen 3.779 N/A CYS 30.A SG SER 39.A OG no hydrogen 3.521 N/A CYS 30.A SG HIS 79.A ND1 no hydrogen 3.757 N/A VAL 31.A N SER 39.A OG no hydrogen 3.041 N/A PHE 32.A N TYR 53.A O no hydrogen 2.977 N/A PHE 33.A N ALA 36.A O no hydrogen 2.776 N/A ALA 36.A N PHE 33.A O no hydrogen 3.144 N/A ILE 38.A N VAL 31.A O no hydrogen 3.153 N/A SER 39.A N ASP 37.A OD1 no hydrogen 2.994 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.662 N/A THR 41.A N ILE 38.A O no hydrogen 3.278 N/A THR 41.A OG1 ILE 38.A O no hydrogen 2.876 N/A GLN 47.A N ASP 44.A O no hydrogen 3.052 N/A ASN 48.A N GLU 45.A O no hydrogen 3.273 N/A GLY 49.A N GLU 3.A O no hydrogen 3.273 N/A LEU 52.A N LEU 5.A O no hydrogen 2.652 N/A TYR 53.A N PHE 32.A O no hydrogen 2.916 N/A LEU 54.A N THR 7.A O no hydrogen 3.112 N/A ALA 55.A N CYS 30.A O no hydrogen 2.828 N/A ASN 57.A ND2 LEU 28.A O no hydrogen 3.205 N/A THR 59.A N GLU 62.A OE1 no hydrogen 3.073 N/A GLU 62.A N THR 59.A OG1 no hydrogen 2.993 N/A THR 63.A N THR 59.A O no hydrogen 2.870 N/A THR 63.A OG1 THR 59.A O no hydrogen 2.641 N/A LYS 64.A N ALA 60.A O no hydrogen 3.302 N/A ALA 65.A N ASP 61.A O no hydrogen 2.914 N/A LEU 66.A N GLU 62.A O no hydrogen 2.935 N/A LYS 67.A N THR 63.A O no hydrogen 3.169 N/A GLU 68.A N LYS 64.A O no hydrogen 3.278 N/A LEU 69.A N ALA 65.A O no hydrogen 3.296 N/A LEU 69.A N LEU 66.A O no hydrogen 3.114 N/A TYR 70.A N LEU 66.A O no hydrogen 2.909 N/A THR 76.A N ASP 74.A OD1 no hydrogen 3.239 N/A THR 76.A OG1 ASP 74.A OD1 no hydrogen 2.486 N/A PHE 77.A N ASP 74.A O no hydrogen 2.961 N/A ARG 80.A N THR 76.A O no hydrogen 3.106 N/A ARG 80.A NE THR 76.A OG1 no hydrogen 3.199 N/A ARG 80.A NH1 ALA 152.A O no hydrogen 2.840 N/A ARG 80.A NH2 ASP 74.A OD1 no hydrogen 3.016 N/A PHE 81.A N PHE 77.A O no hydrogen 2.723 N/A TYR 82.A N LEU 78.A O no hydrogen 2.901 N/A SER 83.A N HIS 79.A O no hydrogen 2.864 N/A LEU 84.A N ARG 80.A O no hydrogen 2.900 N/A LYS 85.A N PHE 81.A O no hydrogen 3.104 N/A LYS 85.A NZ ASP 145.A OD1 no hydrogen 3.201 N/A ALA 86.A N TYR 82.A O no hydrogen 3.373 N/A ALA 87.A N SER 83.A O no hydrogen 3.028 N/A VAL 88.A N LEU 84.A O no hydrogen 2.970 N/A TRP 91.A N VAL 88.A O no hydrogen 3.326 N/A TRP 91.A NE1 ASP 106.A OD2 no hydrogen 3.016 N/A VAL 94.A N SER 101.A O no hydrogen 2.731 N/A CYS 96.A N VAL 99.A O no hydrogen 2.940 N/A CYS 96.A SG ASP 97.A OD2 no hydrogen 3.538 N/A VAL 99.A N CYS 96.A O no hydrogen 3.249 N/A ARG 100.A NH1 SER 143.A OG no hydrogen 3.198 N/A SER 101.A N VAL 94.A O no hydrogen 2.794 N/A SER 101.A OG ASN 112.A OD1 no hydrogen 2.772 N/A LEU 102.A N ASN 112.A OD1 no hydrogen 3.130 N/A LYS 103.A N LYS 92.A O no hydrogen 3.019 N/A SER 105.A N ASN 108.A OD1 no hydrogen 2.817 N/A SER 105.A OG ASP 106.A OD2 no hydrogen 2.277 N/A ASN 107.A ND2 GLY 159.A O no hydrogen 2.832 N/A ASN 108.A ND2 LYS 103.A O no hydrogen 3.259 N/A CYS 109.A SG HIS 269.A ND1 no hydrogen 4.030 N/A ASN 112.A N ASN 108.A O no hydrogen 3.308 N/A ASN 112.A ND2 PHE 281.A O no hydrogen 3.469 N/A ALA 113.A N CYS 109.A O no hydrogen 3.210 N/A VAL 114.A N TYR 110.A O no hydrogen 2.915 N/A ILE 115.A N LEU 111.A O no hydrogen 3.109 N/A MET 116.A N ASN 112.A O no hydrogen 3.188 N/A THR 117.A N ALA 113.A O no hydrogen 3.145 N/A THR 117.A OG1 ALA 113.A O no hydrogen 2.617 N/A LEU 118.A N VAL 114.A O no hydrogen 2.972 N/A ASP 119.A N ILE 115.A O no hydrogen 2.990 N/A LEU 120.A N THR 117.A O no hydrogen 2.880 N/A LEU 121.A N THR 117.A O no hydrogen 3.394 N/A LYS 125.A N GLU 176.A O no hydrogen 3.113 N/A PHE 126.A N GLN 132.A OE1 no hydrogen 2.826 N/A ALA 130.A N LEU 69.A O no hydrogen 3.010 N/A GLN 132.A N ILE 128.A O no hydrogen 2.961 N/A HIS 133.A N PRO 129.A O no hydrogen 2.811 N/A ALA 134.A N ALA 130.A O no hydrogen 2.994 N/A PHE 135.A N LEU 131.A O no hydrogen 2.849 N/A MET 136.A N GLN 132.A O no hydrogen 3.022 N/A LYS 137.A N HIS 133.A O no hydrogen 3.030 N/A LYS 137.A NZ ASP 142.A OD2 no hydrogen 3.309 N/A LYS 137.A NZ ASP 145.A OD2 no hydrogen 2.868 N/A HIS 138.A N ALA 134.A O no hydrogen 2.849 N/A HIS 138.A ND1 SER 143.A OG no hydrogen 2.630 N/A HIS 138.A NE2 ASP 119.A OD1 no hydrogen 2.830 N/A LYS 139.A N PHE 135.A O no hydrogen 3.146 N/A GLY 140.A N LYS 137.A O no hydrogen 3.055 N/A GLY 141.A N HIS 138.A O no hydrogen 3.170 N/A ASP 142.A N LYS 137.A O no hydrogen 2.963 N/A SER 143.A OG HIS 138.A ND1 no hydrogen 2.630 N/A ILE 147.A N SER 143.A O no hydrogen 2.997 N/A ALA 148.A N THR 144.A O no hydrogen 3.084 N/A LEU 149.A N ASP 145.A O no hydrogen 2.933 N/A ILE 150.A N PHE 146.A O no hydrogen 3.027 N/A MET 151.A N ILE 147.A O no hydrogen 3.284 N/A ALA 152.A N ALA 148.A O no hydrogen 2.963 N/A TYR 153.A N LEU 149.A O no hydrogen 2.849 N/A TYR 153.A OH TYR 70.A O no hydrogen 2.593 N/A GLY 154.A N ILE 150.A O no hydrogen 2.982 N/A ASN 155.A N ALA 152.A O no hydrogen 3.099 N/A CYS 156.A N MET 151.A O no hydrogen 2.861 N/A CYS 156.A SG TYR 110.A OH no hydrogen 3.786 N/A CYS 156.A SG GLY 154.A O no hydrogen 3.908 N/A CYS 156.A SG ASP 162.A OD2 no hydrogen 3.706 N/A ASP 163.A N ASP 162.A OD1 no hydrogen 2.656 N/A ALA 164.A N TYR 270.A OH no hydrogen 3.290 N/A SER 165.A N ASP 163.A OD1 no hydrogen 3.224 N/A SER 165.A OG THR 297.A OG1 no hydrogen 3.241 N/A SER 165.A OG ASP 298.A OD1 no hydrogen 2.507 N/A SER 165.A OG ASP 298.A OD2 no hydrogen 3.066 N/A ARG 166.A NE ASP 162.A OD1 no hydrogen 3.403 N/A ARG 166.A NH1 GLY 154.A O no hydrogen 3.399 N/A ARG 166.A NH2 GLY 154.A O no hydrogen 3.247 N/A ARG 166.A NH2 ASP 162.A OD1 no hydrogen 3.310 N/A ARG 166.A NH2 ASP 162.A OD2 no hydrogen 3.493 N/A LEU 167.A N ASP 163.A O no hydrogen 3.270 N/A LEU 168.A N ALA 164.A O no hydrogen 2.942 N/A HIS 169.A N SER 165.A O no hydrogen 3.238 N/A THR 170.A N ARG 166.A O no hydrogen 3.248 N/A THR 170.A OG1 ARG 166.A O no hydrogen 3.468 N/A VAL 171.A N LEU 167.A O no hydrogen 2.961 N/A LEU 172.A N LEU 168.A O no hydrogen 3.332 N/A ALA 173.A N HIS 169.A O no hydrogen 2.727 N/A LYS 174.A N VAL 171.A O no hydrogen 3.045 N/A ALA 175.A N LEU 172.A O no hydrogen 3.274 N/A GLU 176.A N LYS 125.A O no hydrogen 2.836 N/A CYS 178.A N ASP 123.A O no hydrogen 2.792 N/A CYS 178.A SG ASP 123.A O no hydrogen 3.342 N/A CYS 179.A SG SER 180.A O no hydrogen 3.946 N/A ARG 182.A N THR 238.A O no hydrogen 2.906 N/A ARG 182.A NE GLU 236.A OE1 no hydrogen 3.483 N/A MET 183.A N LEU 199.A O no hydrogen 2.858 N/A VAL 184.A N GLU 236.A O no hydrogen 3.030 N/A TRP 185.A N VAL 197.A O no hydrogen 2.721 N/A ARG 186.A N GLN 233.A O no hydrogen 2.850 N/A GLU 187.A N LYS 195.A O no hydrogen 2.848 N/A CYS 189.A N GLY 193.A O no hydrogen 3.277 N/A GLY 193.A N CYS 189.A O no hydrogen 2.451 N/A LYS 195.A N GLU 187.A O no hydrogen 2.891 N/A VAL 197.A N TRP 185.A O no hydrogen 2.663 N/A LEU 199.A N MET 183.A O no hydrogen 2.794 N/A GLY 201.A N ALA 181.A O no hydrogen 3.087 N/A ALA 204.A N GLY 201.A O no hydrogen 3.074 N/A CYS 205.A N LEU 202.A O no hydrogen 2.685 N/A CYS 205.A SG GLY 201.A O no hydrogen 3.582 N/A CYS 206.A SG LEU 202.A O no hydrogen 3.903 N/A TYR 207.A N LEU 243.A O no hydrogen 3.050 N/A GLY 209.A N SER 245.A O no hydrogen 3.027 N/A GLN 211.A NE2 THR 247.A O no hydrogen 2.862 N/A GLN 211.A NE2 VAL 296.A O no hydrogen 3.492 N/A THR 212.A OG1 GLU 214.A OE1 no hydrogen 3.357 N/A LEU 216.A N THR 212.A O no hydrogen 3.318 N/A ARG 217.A N VAL 213.A O no hydrogen 3.145 N/A MET 220.A N ARG 232.A O no hydrogen 2.890 N/A TYR 222.A N ARG 230.A O no hydrogen 3.072 N/A CYS 224.A N GLY 228.A O no hydrogen 2.865 N/A GLY 227.A N CYS 224.A O no hydrogen 2.745 N/A ARG 230.A N TYR 222.A O no hydrogen 2.788 N/A HIS 231.A N TRP 188.A O no hydrogen 3.222 N/A GLN 233.A N ARG 186.A O no hydrogen 3.118 N/A VAL 235.A N VAL 184.A O no hydrogen 3.147 N/A HIS 237.A N TYR 306.A O no hydrogen 3.021 N/A THR 238.A N ARG 182.A O no hydrogen 2.865 N/A THR 239.A N GLN 304.A O no hydrogen 2.911 N/A THR 239.A OG1 TRP 241.A O no hydrogen 3.194 N/A TRP 241.A NE1 LYS 122.A O no hydrogen 2.936 N/A LEU 242.A N PHE 301.A O no hydrogen 2.892 N/A LEU 243.A N CYS 205.A O no hydrogen 2.647 N/A LEU 244.A N VAL 299.A O no hydrogen 3.024 N/A SER 245.A N TYR 207.A O no hydrogen 3.089 N/A GLY 246.A N THR 297.A O no hydrogen 2.845 N/A ASN 249.A N VAL 296.A O no hydrogen 2.784 N/A LYS 251.A N CYS 294.A O no hydrogen 2.966 N/A VAL 253.A N TRP 292.A O no hydrogen 2.925 N/A THR 255.A N SER 290.A O no hydrogen 3.242 N/A VAL 260.A N LEU 300.A O no hydrogen 2.815 N/A PHE 262.A N ALA 273.A O no hydrogen 3.097 N/A ASN 263.A N ASP 298.A O no hydrogen 2.945 N/A ASN 263.A ND2 THR 117.A OG1 no hydrogen 3.221 N/A ASN 263.A ND2 ASP 298.A OD2 no hydrogen 3.206 N/A VAL 264.A N VAL 271.A O no hydrogen 2.805 N/A PHE 265.A N LYS 295.A O no hydrogen 3.227 N/A GLN 266.A N HIS 269.A O no hydrogen 2.850 N/A HIS 269.A NE2 ASP 282.A OD1 no hydrogen 2.721 N/A HIS 269.A NE2 ASP 282.A OD2 no hydrogen 3.171 N/A VAL 271.A N VAL 264.A O no hydrogen 2.920 N/A HIS 272.A ND1 ASN 263.A OD1 no hydrogen 2.996 N/A ALA 273.A N PHE 262.A O no hydrogen 2.976 N/A ARG 274.A N LEU 279.A O no hydrogen 2.717 N/A ARG 274.A NE HIS 272.A NE2 no hydrogen 2.908 N/A ARG 274.A NH2 MET 116.A O no hydrogen 2.938 N/A LEU 275.A N VAL 260.A O no hydrogen 3.383 N/A ILE 278.A N THR 289.A O no hydrogen 2.722 N/A LEU 279.A N ARG 274.A O no hydrogen 2.832 N/A LYS 280.A N SER 287.A O no hydrogen 2.760 N/A LYS 280.A NZ SER 287.A OG no hydrogen 2.407 N/A PHE 281.A N HIS 272.A O no hydrogen 2.693 N/A ASP 282.A N THR 285.A O no hydrogen 3.292 N/A THR 285.A OG1 ASP 282.A O no hydrogen 3.070 N/A SER 287.A N LYS 280.A O no hydrogen 2.989 N/A THR 289.A N ILE 278.A O no hydrogen 2.766 N/A TRP 292.A N VAL 253.A O no hydrogen 3.037 N/A LYS 293.A NZ GLU 250.A OE2 no hydrogen 2.911 N/A CYS 294.A N LYS 251.A O no hydrogen 3.117 N/A CYS 294.A SG TRP 292.A O no hydrogen 3.881 N/A THR 297.A N ASN 263.A O no hydrogen 2.953 N/A THR 297.A OG1 SER 165.A OG no hydrogen 3.241 N/A THR 297.A OG1 GLY 246.A O no hydrogen 3.227 N/A THR 297.A OG1 ASP 298.A OD1 no hydrogen 3.032 N/A VAL 299.A N LEU 244.A O no hydrogen 2.648 N/A LEU 300.A N ALA 261.A O no hydrogen 2.847 N/A PHE 301.A N LEU 242.A O no hydrogen 2.896 N/A GLN 304.A N THR 239.A OG1 no hydrogen 3.056 N/A GLN 304.A NE2 PRO 302.A O no hydrogen 3.311 N/A TYR 306.A N HIS 237.A O no hydrogen 2.975 N/A SER 308.A N VAL 235.A O no hydrogen 2.782 N/A CYS 310.A N SER 308.A OG no hydrogen 3.354 N/A CYS 310.A SG GLN 233.A OE1 no hydrogen 3.692 N/A