Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ika_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 7.A N ASN 5.A OD1 no hydrogen 2.802 N/A ARG 10.A NE LEU 83.A O no hydrogen 2.739 N/A LEU 12.A N ILE 85.A O no hydrogen 2.858 N/A GLU 16.A N LYS 13.A O no hydrogen 2.733 N/A LYS 18.A N LEU 35.A O no hydrogen 2.949 N/A ILE 20.A N LYS 33.A O no hydrogen 2.716 N/A LYS 21.A N LYS 33.A O no hydrogen 3.167 N/A LEU 23.A N VAL 31.A O no hydrogen 3.140 N/A GLY 26.A N GLY 29.A O no hydrogen 2.753 N/A GLY 29.A N GLY 26.A O no hydrogen 2.802 N/A THR 30.A N GLU 51.A O no hydrogen 2.891 N/A VAL 31.A N GLY 24.A O no hydrogen 2.835 N/A TYR 32.A N ILE 49.A O no hydrogen 2.512 N/A TYR 32.A OH GLU 51.A OE2 no hydrogen 2.924 N/A LYS 33.A N LYS 21.A O no hydrogen 2.643 N/A GLY 34.A N VAL 47.A O no hydrogen 2.838 N/A LEU 35.A N LYS 18.A O no hydrogen 2.957 N/A TRP 36.A N ILE 45.A O no hydrogen 2.662 N/A ILE 37.A N GLU 16.A O no hydrogen 2.785 N/A GLU 41.A N GLU 39.A O no hydrogen 2.808 N/A ILE 45.A N TRP 36.A O no hydrogen 2.844 N/A VAL 47.A N GLY 34.A O no hydrogen 3.030 N/A ALA 48.A N MET 95.A O no hydrogen 2.706 N/A ILE 49.A N TYR 32.A O no hydrogen 2.775 N/A LYS 50.A N LEU 93.A O no hydrogen 3.007 N/A LYS 50.A NZ GLU 67.A OE1 no hydrogen 3.220 N/A GLU 51.A N THR 30.A O no hydrogen 2.717 N/A LEU 52.A N VAL 91.A O no hydrogen 3.069 N/A ARG 53.A N PHE 28.A O no hydrogen 3.197 N/A ALA 60.A N SER 57.A OG no hydrogen 2.732 N/A ASN 61.A N SER 57.A O no hydrogen 3.101 N/A LYS 62.A N PRO 58.A O no hydrogen 2.541 N/A GLU 63.A N LYS 59.A O no hydrogen 2.899 N/A ILE 64.A N ASN 61.A O no hydrogen 2.957 N/A LEU 65.A N ASN 61.A O no hydrogen 3.339 N/A ASP 66.A N LYS 62.A O no hydrogen 3.194 N/A ASP 66.A N GLU 63.A O no hydrogen 3.241 N/A GLU 67.A N GLU 63.A O no hydrogen 3.088 N/A ALA 68.A N ILE 64.A O no hydrogen 3.296 N/A TYR 69.A N LEU 65.A O no hydrogen 2.927 N/A VAL 70.A N ASP 66.A O no hydrogen 2.860 N/A MET 71.A N GLU 67.A O no hydrogen 2.979 N/A ALA 72.A N ALA 68.A O no hydrogen 3.001 N/A SER 73.A N VAL 70.A O no hydrogen 2.963 N/A SER 73.A OG TYR 69.A O no hydrogen 3.020 N/A SER 73.A OG VAL 70.A O no hydrogen 2.414 N/A ASP 75.A N TYR 132.A OH no hydrogen 3.273 N/A HIS 78.A ND1 VAL 156.A O no hydrogen 2.962 N/A VAL 79.A N ASN 76.A O no hydrogen 3.488 N/A CYS 80.A N ILE 158.A O no hydrogen 3.008 N/A CYS 80.A SG ILE 158.A O no hydrogen 3.258 N/A LEU 82.A N MET 71.A O no hydrogen 3.347 N/A LEU 83.A N ILE 94.A O no hydrogen 2.591 N/A GLY 84.A N ILE 94.A O no hydrogen 3.171 N/A ILE 85.A N ARG 10.A O no hydrogen 3.027 N/A CYS 86.A N GLN 92.A O no hydrogen 2.823 N/A CYS 86.A SG LEU 12.A O no hydrogen 2.511 N/A THR 88.A OG1 THR 90.A O no hydrogen 2.790 N/A THR 88.A OG1 GLN 92.A OE1 no hydrogen 3.527 N/A THR 90.A OG1 THR 90.A O no hydrogen 2.376 N/A GLN 92.A N CYS 86.A O no hydrogen 3.014 N/A LEU 93.A N LYS 50.A O no hydrogen 2.906 N/A ILE 94.A N GLY 84.A O no hydrogen 2.635 N/A MET 95.A N ALA 48.A O no hydrogen 2.931 N/A LEU 97.A N PRO 46.A O no hydrogen 3.163 N/A PHE 100.A N VAL 150.A O no hydrogen 3.404 N/A GLY 101.A N MET 98.A O no hydrogen 3.109 N/A CYS 102.A SG CYS 102.A O no hydrogen 2.362 N/A LEU 103.A N VAL 148.A O no hydrogen 2.709 N/A LEU 104.A N ALA 145.A O no hydrogen 3.369 N/A ASP 105.A N CYS 102.A O no hydrogen 2.588 N/A TYR 106.A N CYS 102.A O no hydrogen 3.296 N/A VAL 107.A N LEU 103.A O no hydrogen 2.942 N/A ARG 108.A NE GLY 216.A O no hydrogen 2.979 N/A ARG 108.A NH2 GLY 216.A O no hydrogen 2.685 N/A GLU 109.A N ASP 105.A O no hydrogen 3.204 N/A HIS 110.A N TYR 106.A O no hydrogen 3.191 N/A HIS 110.A ND1 TYR 106.A O no hydrogen 2.993 N/A LYS 111.A NZ PHE 215.A O no hydrogen 2.424 N/A ILE 114.A N HIS 110.A O no hydrogen 2.839 N/A ILE 114.A N LYS 111.A O no hydrogen 2.886 N/A SER 116.A N ASP 289.A OD1 no hydrogen 3.018 N/A SER 116.A N ASP 289.A OD2 no hydrogen 3.433 N/A SER 116.A OG ASP 289.A OD2 no hydrogen 2.704 N/A GLN 117.A NE2 GLN 117.A O no hydrogen 3.035 N/A GLN 117.A NE2 ALA 277.A O no hydrogen 3.082 N/A LEU 119.A N GLY 115.A O no hydrogen 3.470 N/A LEU 120.A N SER 116.A O no hydrogen 3.225 N/A ASN 121.A N GLN 117.A O no hydrogen 3.063 N/A TRP 122.A N TYR 118.A O no hydrogen 2.832 N/A TRP 122.A NE1 PRO 153.A O no hydrogen 2.843 N/A CYS 123.A N LEU 119.A O no hydrogen 3.041 N/A CYS 123.A SG LEU 119.A O no hydrogen 3.244 N/A VAL 124.A N LEU 120.A O no hydrogen 3.031 N/A GLN 125.A N ASN 121.A O no hydrogen 2.769 N/A GLN 125.A NE2 GLN 154.A O no hydrogen 3.631 N/A ILE 126.A N TRP 122.A O no hydrogen 2.783 N/A ALA 127.A N CYS 123.A O no hydrogen 2.758 N/A LYS 128.A N VAL 124.A O no hydrogen 2.815 N/A GLY 129.A N GLN 125.A O no hydrogen 2.847 N/A MET 130.A N ILE 126.A O no hydrogen 2.993 N/A ASN 131.A N ALA 127.A O no hydrogen 2.871 N/A TYR 132.A N LYS 128.A O no hydrogen 3.122 N/A LEU 133.A N GLY 129.A O no hydrogen 3.292 N/A GLU 134.A N MET 130.A O no hydrogen 3.082 N/A ASP 135.A N ASN 131.A O no hydrogen 2.912 N/A ARG 136.A N TYR 132.A O no hydrogen 3.104 N/A ARG 136.A N LEU 133.A O no hydrogen 3.022 N/A ARG 137.A N GLU 134.A O no hydrogen 3.109 N/A LEU 138.A N LEU 133.A O no hydrogen 2.856 N/A VAL 139.A N LYS 165.A O no hydrogen 2.910 N/A HIS 140.A N ASP 201.A OD1 no hydrogen 2.781 N/A ARG 141.A N ASP 201.A OD2 no hydrogen 3.061 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 2.994 N/A ALA 145.A N GLU 211.A OE1 no hydrogen 2.740 N/A ASN 147.A N ALA 144.A O no hydrogen 3.055 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.265 N/A VAL 148.A N ALA 145.A O no hydrogen 2.915 N/A LEU 149.A N LYS 157.A O no hydrogen 2.653 N/A VAL 150.A N GLY 101.A O no hydrogen 2.834 N/A LYS 151.A N HIS 155.A O no hydrogen 3.059 N/A THR 152.A N HIS 155.A O no hydrogen 3.319 N/A GLN 154.A N THR 152.A OG1 no hydrogen 2.922 N/A HIS 155.A N THR 152.A O no hydrogen 2.427 N/A HIS 155.A NE2 PRO 77.A O no hydrogen 2.983 N/A VAL 156.A N GLN 125.A OE1 no hydrogen 3.049 N/A LYS 157.A N LEU 149.A O no hydrogen 2.849 N/A LYS 157.A NZ GLU 305.A OE2 no hydrogen 2.513 N/A ILE 158.A N HIS 78.A O no hydrogen 2.879 N/A THR 159.A N ASN 147.A O no hydrogen 2.924 N/A ALA 164.A N PHE 161.A O no hydrogen 2.902 N/A LYS 165.A N VAL 139.A O no hydrogen 3.181 N/A LEU 167.A N ARG 137.A O no hydrogen 2.844 N/A GLU 171.A N GLY 168.A O no hydrogen 2.551 N/A TYR 174.A N TYR 196.A O no hydrogen 2.882 N/A ALA 176.A N ARG 194.A O no hydrogen 3.243 N/A LYS 184.A NZ TYR 220.A O no hydrogen 2.951 N/A LYS 184.A NZ ILE 223.A O no hydrogen 2.596 N/A TRP 185.A N PRO 182.A O no hydrogen 3.416 N/A MET 186.A N ILE 183.A O no hydrogen 2.522 N/A SER 190.A OG ILE 195.A O no hydrogen 2.848 N/A ILE 191.A N ALA 187.A O no hydrogen 3.093 N/A LEU 192.A N LEU 188.A O no hydrogen 2.671 N/A HIS 193.A N GLU 189.A O no hydrogen 2.343 N/A ARG 194.A N SER 190.A O no hydrogen 2.552 N/A TYR 196.A N TYR 174.A O no hydrogen 2.843 N/A THR 197.A N SER 200.A OG no hydrogen 3.036 N/A SER 200.A N THR 197.A O no hydrogen 2.669 N/A SER 200.A N THR 197.A OG1 no hydrogen 3.296 N/A SER 200.A OG THR 197.A O no hydrogen 2.566 N/A ASP 201.A N THR 197.A O no hydrogen 3.230 N/A ASP 201.A N HIS 198.A O no hydrogen 3.224 N/A VAL 202.A N HIS 198.A O no hydrogen 3.298 N/A SER 204.A OG TRP 185.A O no hydrogen 2.789 N/A SER 204.A OG SER 200.A O no hydrogen 3.257 N/A TYR 205.A N ASP 201.A O no hydrogen 2.656 N/A TYR 205.A OH CYS 123.A O no hydrogen 2.691 N/A GLY 206.A N VAL 202.A O no hydrogen 3.004 N/A GLY 206.A N TRP 203.A O no hydrogen 3.102 N/A VAL 207.A N TRP 203.A O no hydrogen 3.156 N/A THR 208.A N SER 204.A O no hydrogen 2.757 N/A THR 208.A OG1 SER 204.A O no hydrogen 2.820 N/A VAL 209.A N TYR 205.A O no hydrogen 2.977 N/A TRP 210.A N GLY 206.A O no hydrogen 2.838 N/A TRP 210.A NE1 PRO 239.A O no hydrogen 2.981 N/A GLU 211.A N VAL 207.A O no hydrogen 2.966 N/A LEU 212.A N THR 208.A O no hydrogen 3.162 N/A MET 213.A N VAL 209.A O no hydrogen 2.769 N/A THR 214.A N TRP 210.A O no hydrogen 3.010 N/A PHE 215.A N LEU 212.A O no hydrogen 3.203 N/A GLY 216.A N GLU 211.A O no hydrogen 2.895 N/A SER 217.A N THR 214.A O no hydrogen 3.352 N/A SER 217.A N THR 214.A OG1 no hydrogen 2.791 N/A SER 217.A OG THR 214.A O no hydrogen 2.878 N/A SER 217.A OG THR 214.A OG1 no hydrogen 2.425 N/A ILE 228.A N ALA 225.A O no hydrogen 3.264 N/A SER 230.A OG GLU 227.A O no hydrogen 2.896 N/A ILE 231.A N GLU 227.A O no hydrogen 3.226 N/A LEU 232.A N ILE 228.A O no hydrogen 3.012 N/A GLU 233.A N SER 229.A O no hydrogen 2.951 N/A LYS 234.A N SER 230.A O no hydrogen 3.052 N/A LYS 234.A NZ SER 230.A O no hydrogen 3.400 N/A GLY 235.A N LEU 232.A O no hydrogen 3.313 N/A GLU 236.A N ILE 231.A O no hydrogen 2.893 N/A ARG 237.A NE TRP 256.A O no hydrogen 3.102 N/A ARG 237.A NH1 TRP 256.A O no hydrogen 2.443 N/A ARG 237.A NH2 LEU 232.A O no hydrogen 2.785 N/A ARG 237.A NH2 GLU 236.A O no hydrogen 3.058 N/A CYS 244.A N PRO 241.A O no hydrogen 2.737 N/A THR 245.A N TYR 283.A O no hydrogen 3.244 N/A THR 245.A OG1 TYR 283.A O no hydrogen 2.585 N/A VAL 248.A N THR 245.A O no hydrogen 3.001 N/A TYR 249.A N THR 245.A O no hydrogen 3.003 N/A TYR 249.A OH LEU 238.A O no hydrogen 2.517 N/A MET 250.A N ILE 246.A O no hydrogen 2.627 N/A ILE 251.A N VAL 248.A O no hydrogen 3.042 N/A MET 252.A N VAL 248.A O no hydrogen 3.322 N/A VAL 253.A N TYR 249.A O no hydrogen 3.006 N/A LYS 254.A N MET 250.A O no hydrogen 3.215 N/A CYS 255.A N ILE 251.A O no hydrogen 3.171 N/A CYS 255.A N MET 252.A O no hydrogen 3.241 N/A CYS 255.A SG VAL 202.A O no hydrogen 3.761 N/A CYS 255.A SG ILE 251.A O no hydrogen 3.345 N/A TRP 256.A N VAL 253.A O no hydrogen 2.871 N/A MET 257.A N LYS 254.A O no hydrogen 3.151 N/A SER 262.A N ASP 259.A O no hydrogen 3.010 N/A SER 262.A OG ASP 259.A OD2 no hydrogen 2.408 N/A ARG 263.A N ALA 260.A O no hydrogen 3.369 N/A ARG 263.A NE MET 257.A O no hydrogen 2.988 N/A ARG 263.A NH1 GLU 189.A OE1 no hydrogen 3.163 N/A ARG 263.A NH1 GLN 199.A O no hydrogen 2.724 N/A ARG 263.A NH2 MET 257.A O no hydrogen 3.437 N/A LEU 269.A N LYS 265.A O no hydrogen 2.784 N/A ILE 270.A N PHE 266.A O no hydrogen 2.738 N/A ILE 271.A N ARG 267.A O no hydrogen 3.234 N/A GLU 272.A N GLU 268.A O no hydrogen 2.869 N/A PHE 273.A N LEU 269.A O no hydrogen 3.140 N/A SER 274.A N ILE 270.A O no hydrogen 2.790 N/A SER 274.A OG ILE 270.A O no hydrogen 2.653 N/A LYS 275.A N ILE 271.A O no hydrogen 2.778 N/A MET 276.A N GLU 272.A O no hydrogen 3.001 N/A ARG 278.A N LYS 275.A O no hydrogen 3.351 N/A ARG 282.A N ASP 279.A O no hydrogen 3.276 N/A TYR 283.A N PRO 280.A O no hydrogen 2.989 N/A LEU 284.A N PRO 280.A O no hydrogen 3.004 N/A VAL 285.A N ILE 243.A O no hydrogen 2.912 N/A ASP 289.A N ILE 286.A O no hydrogen 3.233 N/A MET 292.A N ASP 289.A O no hydrogen 3.026 N/A LEU 307.A N ASP 304.A O no hydrogen 2.613 N/A