Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3beg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 13.A N TRP 30.A O no hydrogen 3.256 N/A ILE 15.A N LEU 28.A O no hydrogen 2.917 N/A ARG 16.A N LEU 28.A O no hydrogen 3.383 N/A GLY 19.A N VAL 26.A O no hydrogen 2.959 N/A GLY 21.A N SER 24.A O no hydrogen 2.914 N/A THR 25.A N VAL 42.A O no hydrogen 3.343 N/A VAL 26.A N GLY 19.A O no hydrogen 2.518 N/A TRP 27.A N MET 40.A O no hydrogen 2.919 N/A LEU 28.A N ARG 16.A O no hydrogen 2.808 N/A SER 29.A N VAL 38.A O no hydrogen 3.100 N/A SER 29.A OG TRP 27.A O no hydrogen 3.290 N/A ASP 31.A N LYS 36.A O no hydrogen 3.323 N/A ILE 32.A N ARG 11.A O no hydrogen 2.795 N/A LYS 36.A NZ PHE 37.A O no hydrogen 3.224 N/A VAL 38.A N SER 29.A O no hydrogen 2.890 N/A ALA 39.A N PHE 97.A O no hydrogen 2.940 N/A MET 40.A N TRP 27.A O no hydrogen 2.936 N/A LYS 41.A N MET 95.A O no hydrogen 3.041 N/A VAL 42.A N THR 25.A O no hydrogen 2.974 N/A VAL 43.A N ILE 93.A O no hydrogen 3.356 N/A LYS 44.A N PHE 23.A O no hydrogen 3.149 N/A THR 50.A N ALA 46.A O no hydrogen 3.093 N/A THR 50.A N GLU 47.A O no hydrogen 2.827 N/A THR 50.A OG1 ALA 46.A O no hydrogen 3.194 N/A THR 50.A OG1 GLU 47.A O no hydrogen 2.988 N/A GLU 51.A N GLU 47.A O no hydrogen 2.756 N/A THR 52.A N HIS 48.A O no hydrogen 3.269 N/A THR 52.A OG1 HIS 48.A O no hydrogen 2.590 N/A ALA 53.A N TYR 49.A O no hydrogen 3.174 N/A LEU 54.A N THR 50.A O no hydrogen 2.666 N/A ASP 55.A N GLU 51.A O no hydrogen 3.169 N/A GLU 56.A N THR 52.A O no hydrogen 2.889 N/A ILE 57.A N ALA 53.A O no hydrogen 3.248 N/A ARG 58.A N LEU 54.A O no hydrogen 3.380 N/A ARG 58.A NE ASP 55.A OD1 no hydrogen 3.283 N/A LEU 59.A N ASP 55.A O no hydrogen 2.646 N/A LEU 60.A N GLU 56.A O no hydrogen 2.690 N/A LYS 61.A N ILE 57.A O no hydrogen 2.827 N/A SER 62.A N LEU 59.A O no hydrogen 2.969 N/A SER 62.A OG SER 66.A OG no hydrogen 2.916 N/A ARG 64.A N LEU 60.A O no hydrogen 2.717 N/A ASN 65.A N LYS 61.A O no hydrogen 3.293 N/A SER 66.A OG SER 62.A O no hydrogen 2.625 N/A ARG 73.A NH1 VAL 63.A O no hydrogen 2.872 N/A ARG 73.A NH1 ARG 64.A O no hydrogen 2.773 N/A VAL 77.A N ILE 188.A O no hydrogen 3.124 N/A LEU 80.A N VAL 96.A O no hydrogen 2.728 N/A PHE 83.A N CYS 94.A O no hydrogen 3.230 N/A HIS 92.A N ILE 85.A O no hydrogen 2.709 N/A CYS 94.A N PHE 83.A O no hydrogen 2.879 N/A CYS 94.A SG LYS 41.A O no hydrogen 3.261 N/A PHE 97.A N ALA 39.A O no hydrogen 2.900 N/A GLY 101.A N LEU 153.A O no hydrogen 3.372 N/A LEU 104.A N ILE 151.A O no hydrogen 3.277 N/A LEU 105.A N PRO 148.A O no hydrogen 3.336 N/A LYS 106.A N HIS 103.A O no hydrogen 3.240 N/A TRP 107.A N LEU 104.A O no hydrogen 2.994 N/A ILE 108.A N LEU 104.A O no hydrogen 3.064 N/A ILE 109.A N LEU 105.A O no hydrogen 3.229 N/A LYS 110.A N LYS 106.A O no hydrogen 3.008 N/A SER 111.A N TRP 107.A O no hydrogen 2.682 N/A SER 111.A OG ILE 108.A O no hydrogen 2.680 N/A SER 111.A OG GLY 115.A O no hydrogen 3.375 N/A ASN 112.A N ILE 109.A O no hydrogen 2.518 N/A TYR 113.A N ILE 108.A O no hydrogen 2.977 N/A GLN 114.A N SER 111.A O no hydrogen 3.050 N/A GLN 114.A N SER 111.A OG no hydrogen 3.223 N/A GLN 114.A NE2 ASN 112.A O no hydrogen 3.495 N/A GLY 115.A N SER 111.A OG no hydrogen 3.183 N/A LEU 116.A N LEU 237.A O no hydrogen 2.788 N/A CYS 120.A N PRO 117.A O no hydrogen 2.681 N/A CYS 120.A SG PRO 175.A O no hydrogen 3.473 N/A CYS 120.A SG GLU 177.A O no hydrogen 3.621 N/A LYS 122.A N LEU 118.A O no hydrogen 3.249 N/A LYS 122.A NZ TRP 345.A O no hydrogen 2.672 N/A ILE 124.A N CYS 120.A O no hydrogen 2.989 N/A ILE 125.A N VAL 121.A O no hydrogen 3.274 N/A GLN 126.A N LYS 123.A O no hydrogen 3.173 N/A GLN 127.A N LYS 123.A O no hydrogen 2.997 N/A VAL 128.A N ILE 124.A O no hydrogen 2.907 N/A LEU 129.A N ILE 125.A O no hydrogen 3.005 N/A GLN 130.A N GLN 126.A O no hydrogen 2.717 N/A GLY 131.A N GLN 127.A O no hydrogen 2.999 N/A LEU 132.A N VAL 128.A O no hydrogen 2.955 N/A ASP 133.A N LEU 129.A O no hydrogen 3.423 N/A ASP 133.A N GLN 130.A O no hydrogen 3.275 N/A LEU 135.A N GLY 131.A O no hydrogen 3.313 N/A HIS 136.A N LEU 132.A O no hydrogen 2.807 N/A THR 137.A N ASP 133.A O no hydrogen 3.019 N/A THR 137.A OG1 ASP 133.A O no hydrogen 2.934 N/A THR 137.A OG1 ASP 133.A OD1 no hydrogen 3.521 N/A LYS 138.A N TYR 134.A O no hydrogen 2.735 N/A CYS 139.A SG TYR 134.A O no hydrogen 4.025 N/A CYS 139.A SG LEU 135.A O no hydrogen 3.923 N/A ARG 140.A NE HIS 136.A O no hydrogen 3.106 N/A ARG 140.A NH2 HIS 136.A O no hydrogen 3.271 N/A ILE 141.A N LEU 135.A O no hydrogen 2.930 N/A HIS 143.A N ASP 226.A OD1 no hydrogen 2.859 N/A HIS 143.A N ASP 226.A OD2 no hydrogen 3.319 N/A HIS 143.A NE2 ALA 189.A O no hydrogen 2.826 N/A THR 144.A N ASP 226.A OD2 no hydrogen 2.690 N/A THR 144.A OG1 HIS 143.A O no hydrogen 2.490 N/A THR 144.A OG1 ASN 193.A O no hydrogen 2.833 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 3.121 N/A LYS 147.A NZ THR 207.A OG1 no hydrogen 3.244 N/A ASN 150.A N LYS 147.A O no hydrogen 2.843 N/A LEU 152.A N LYS 187.A O no hydrogen 2.678 N/A LEU 153.A N HIS 102.A O no hydrogen 3.418 N/A SER 154.A N LYS 185.A O no hydrogen 2.858 N/A TYR 159.A N ASN 156.A OD1 no hydrogen 3.249 N/A ARG 162.A N GLN 158.A O no hydrogen 2.941 N/A ARG 162.A NH1 ALA 168.A O no hydrogen 2.803 N/A ALA 164.A N ILE 160.A O no hydrogen 2.598 N/A ALA 165.A N ARG 161.A O no hydrogen 3.050 N/A GLU 166.A N LEU 163.A O no hydrogen 3.212 N/A ASN 180.A ND2 ASN 174.A O no hydrogen 3.013 N/A ALA 181.A N PRO 178.A O no hydrogen 3.424 N/A LYS 183.A N ASN 180.A O no hydrogen 2.866 N/A LEU 184.A N ASN 180.A O no hydrogen 3.324 N/A LYS 187.A N LEU 152.A O no hydrogen 2.447 N/A LYS 187.A NZ GLU 74.A O no hydrogen 2.943 N/A LYS 187.A NZ VAL 76.A O no hydrogen 3.356 N/A ILE 188.A N MET 75.A O no hydrogen 2.636 N/A ALA 189.A N ASN 150.A O no hydrogen 2.903 N/A GLY 192.A N ASP 190.A OD2 no hydrogen 3.082 N/A ALA 194.A N LEU 191.A O no hydrogen 3.029 N/A CYS 195.A N ILE 142.A O no hydrogen 3.362 N/A CYS 195.A SG TRP 196.A O no hydrogen 3.357 N/A TRP 196.A N LYS 199.A O no hydrogen 3.347 N/A VAL 197.A N ARG 140.A O no hydrogen 2.942 N/A ASP 204.A N THR 202.A OG1 no hydrogen 2.911 N/A GLN 206.A NE2 ALA 225.A O no hydrogen 3.605 N/A THR 207.A N ASP 145.A OD1 no hydrogen 3.315 N/A THR 207.A OG1 ASP 145.A OD1 no hydrogen 2.375 N/A TYR 210.A N THR 207.A O no hydrogen 2.834 N/A TYR 210.A OH GLU 236.A OE2 no hydrogen 2.465 N/A ARG 211.A N ARG 208.A O no hydrogen 2.932 N/A ARG 211.A NE ILE 205.A O no hydrogen 3.125 N/A ARG 211.A NE GLN 206.A O no hydrogen 3.327 N/A ARG 211.A NH2 GLN 206.A O no hydrogen 2.961 N/A SER 212.A OG GLU 214.A OE1 no hydrogen 2.405 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 3.289 N/A VAL 215.A N SER 212.A O no hydrogen 3.166 N/A LEU 216.A N SER 212.A O no hydrogen 3.348 N/A ILE 217.A N LEU 213.A O no hydrogen 3.261 N/A SER 219.A N GLU 214.A O no hydrogen 2.998 N/A SER 219.A OG GLU 214.A O no hydrogen 3.502 N/A TYR 221.A OH THR 202.A O no hydrogen 2.524 N/A THR 223.A N ASN 222.A OD1 no hydrogen 2.757 N/A ALA 225.A N ASN 222.A O no hydrogen 3.035 N/A ASP 226.A N THR 223.A O no hydrogen 2.994 N/A TRP 228.A N PRO 224.A O no hydrogen 3.156 N/A SER 229.A N ALA 225.A O no hydrogen 3.426 N/A SER 229.A OG GLN 206.A OE1 no hydrogen 3.162 N/A SER 229.A OG TYR 210.A O no hydrogen 2.927 N/A THR 230.A N ASP 226.A O no hydrogen 2.961 N/A THR 230.A OG1 ASP 226.A O no hydrogen 2.678 N/A THR 230.A OG1 ILE 227.A O no hydrogen 3.128 N/A ALA 231.A N ILE 227.A O no hydrogen 2.845 N/A CYS 232.A N TRP 228.A O no hydrogen 3.098 N/A CYS 232.A SG GLN 209.A O no hydrogen 3.910 N/A CYS 232.A SG TRP 228.A O no hydrogen 3.317 N/A MET 233.A N SER 229.A O no hydrogen 2.700 N/A ALA 234.A N THR 230.A O no hydrogen 2.528 N/A PHE 235.A N ALA 231.A O no hydrogen 3.082 N/A GLU 236.A N CYS 232.A O no hydrogen 3.220 N/A LEU 237.A N MET 233.A O no hydrogen 3.213 N/A ALA 238.A N ALA 234.A O no hydrogen 2.851 N/A THR 239.A N PHE 235.A O no hydrogen 2.688 N/A THR 239.A OG1 PHE 235.A O no hydrogen 2.775 N/A GLY 240.A N GLU 236.A O no hydrogen 2.835 N/A ASP 241.A N THR 239.A OG1 no hydrogen 3.120 N/A HIS 247.A N ASP 257.A OD2 no hydrogen 2.909 N/A HIS 247.A NE2 GLU 245.A OE2 no hydrogen 3.036 N/A ASP 257.A N THR 253.A O no hydrogen 3.090 N/A HIS 258.A N ARG 254.A O no hydrogen 2.780 N/A ILE 259.A N ASP 255.A O no hydrogen 3.080 N/A ALA 260.A N GLU 256.A O no hydrogen 2.882 N/A LEU 261.A N ASP 257.A O no hydrogen 2.908 N/A ILE 262.A N HIS 258.A O no hydrogen 3.280 N/A ILE 263.A N ILE 259.A O no hydrogen 2.964 N/A GLU 264.A N ALA 260.A O no hydrogen 2.821 N/A LEU 265.A N LEU 261.A O no hydrogen 3.235 N/A LEU 266.A N ILE 262.A O no hydrogen 2.763 N/A LEU 273.A N PRO 270.A O no hydrogen 2.737 N/A ILE 274.A N PRO 270.A O no hydrogen 3.250 N/A ILE 274.A N ARG 271.A O no hydrogen 3.155 N/A VAL 275.A N ARG 271.A O no hydrogen 3.465 N/A GLY 277.A N ILE 274.A O no hydrogen 3.046 N/A LYS 278.A N GLY 218.A O no hydrogen 2.721 N/A TYR 279.A N ILE 217.A O no hydrogen 3.081 N/A SER 280.A N GLY 277.A O no hydrogen 3.246 N/A SER 280.A OG ILE 217.A O no hydrogen 3.471 N/A SER 280.A OG ILE 274.A O no hydrogen 2.958 N/A SER 280.A OG GLY 277.A O no hydrogen 2.907 N/A GLU 282.A N TYR 279.A O no hydrogen 2.790 N/A PHE 284.A N SER 280.A O no hydrogen 3.165 N/A THR 285.A OG1 LYS 287.A O no hydrogen 3.278 N/A THR 285.A OG1 ASP 289.A O no hydrogen 3.142 N/A LYS 291.A N PHE 283.A O no hydrogen 2.739 N/A HIS 292.A N GLU 256.A OE2 no hydrogen 2.694 N/A LYS 297.A N GLU 264.A OE1 no hydrogen 3.132 N/A TRP 299.A N GLU 264.A O no hydrogen 2.964 N/A GLU 303.A N GLU 303.A OE2 no hydrogen 2.873 N/A VAL 304.A N GLY 300.A O no hydrogen 3.001 N/A LEU 305.A N LEU 301.A O no hydrogen 2.822 N/A VAL 306.A N PHE 302.A O no hydrogen 3.191 N/A GLU 307.A N GLU 303.A O no hydrogen 2.721 N/A LYS 308.A N VAL 304.A O no hydrogen 2.885 N/A TYR 309.A OH ASP 241.A OD2 no hydrogen 2.498 N/A TRP 311.A N LEU 305.A O no hydrogen 2.959 N/A ALA 316.A N SER 312.A O no hydrogen 3.072 N/A ALA 317.A N GLU 314.A O no hydrogen 2.946 N/A PHE 319.A N GLU 315.A O no hydrogen 3.336 N/A THR 320.A OG1 ALA 316.A O no hydrogen 2.720 N/A ASP 321.A N ALA 317.A O no hydrogen 3.274 N/A LEU 323.A N PHE 319.A O no hydrogen 3.176 N/A LEU 324.A N THR 320.A O no hydrogen 3.111 N/A LEU 327.A N LEU 323.A O no hydrogen 2.862 N/A GLU 328.A N PRO 325.A O no hydrogen 3.380 N/A LEU 329.A N GLU 328.A OE1 no hydrogen 2.747 N/A LYS 333.A N ILE 330.A O no hydrogen 3.018 N/A ARG 334.A NE GLU 328.A O no hydrogen 2.972 N/A ARG 334.A NH1 GLU 214.A OE1 no hydrogen 2.922 N/A ARG 334.A NH1 GLU 214.A OE2 no hydrogen 3.209 N/A ARG 334.A NH2 GLU 214.A OE1 no hydrogen 2.697 N/A ARG 334.A NH2 GLU 328.A O no hydrogen 3.164 N/A ARG 334.A NH2 LEU 329.A O no hydrogen 3.255 N/A ALA 335.A N PRO 325.A O no hydrogen 3.138 N/A THR 336.A N GLU 339.A OE1 no hydrogen 3.292 N/A GLU 339.A N THR 336.A OG1 no hydrogen 3.299 N/A CYS 340.A SG THR 336.A O no hydrogen 3.388 N/A LEU 341.A N ALA 337.A O no hydrogen 3.142 N/A LEU 341.A N ALA 338.A O no hydrogen 3.253 N/A HIS 343.A NE2 ASP 321.A O no hydrogen 2.622 N/A TRP 345.A N HIS 343.A ND1 no hydrogen 3.082 N/A LEU 346.A N HIS 343.A O no hydrogen 3.275 N/A SER 348.A OG PRO 344.A O no hydrogen 2.637 N/A