Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6shb_I.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N ILE 2.A O no hydrogen 2.952 N/A ASN 7.A N ASP 3.A O no hydrogen 2.948 N/A ASN 7.A N PHE 4.A O no hydrogen 3.366 N/A ILE 8.A N LEU 5.A O no hydrogen 3.037 N/A LEU 11.A N ASN 7.A O no hydrogen 2.966 N/A ILE 12.A N ILE 8.A O no hydrogen 2.908 N/A LYS 13.A N LEU 9.A O no hydrogen 2.962 N/A GLU 14.A N GLU 10.A O no hydrogen 2.928 N/A GLU 14.A N LEU 11.A O no hydrogen 3.101 N/A LYS 15.A N LEU 11.A O no hydrogen 2.899 N/A GLN 16.A NE2 LYS 13.A O no hydrogen 2.192 N/A CYS 17.A N LYS 15.A O no hydrogen 2.868 N/A CYS 17.A SG GLN 16.A O no hydrogen 2.989 N/A CYS 17.A SG LYS 88.A O no hydrogen 3.205 N/A ASN 20.A ND2 PRO 144.A O no hydrogen 2.729 N/A LEU 21.A N ASN 147.A OD1 no hydrogen 2.877 N/A SER 23.A N ASN 20.A OD1 no hydrogen 2.748 N/A SER 23.A OG ASN 20.A OD1 no hydrogen 3.002 N/A ALA 24.A N ASN 20.A O no hydrogen 2.860 N/A ILE 25.A N LEU 21.A O no hydrogen 2.873 N/A SER 26.A N PHE 22.A O no hydrogen 2.956 N/A SER 26.A OG PHE 22.A O no hydrogen 2.561 N/A LEU 27.A N SER 23.A O no hydrogen 2.868 N/A THR 28.A N ALA 24.A O no hydrogen 2.927 N/A SER 29.A N ILE 25.A O no hydrogen 2.900 N/A SER 29.A OG SER 26.A O no hydrogen 2.784 N/A ILE 30.A N LEU 27.A O no hydrogen 3.242 N/A TYR 32.A N THR 28.A O no hydrogen 2.862 N/A ASN 33.A N SER 29.A O no hydrogen 2.878 N/A ASN 33.A ND2 LEU 134.A O no hydrogen 3.528 N/A ASN 34.A N ILE 30.A O no hydrogen 2.941 N/A ASN 34.A N VAL 31.A O no hydrogen 3.268 N/A ASN 34.A ND2 ILE 30.A O no hydrogen 2.756 N/A PHE 35.A N TYR 32.A O no hydrogen 3.356 N/A GLU 37.A N ASN 34.A O no hydrogen 2.713 N/A PHE 38.A N ASN 34.A O no hydrogen 2.905 N/A LEU 39.A N PHE 35.A O no hydrogen 3.130 N/A SER 40.A N GLU 37.A O no hydrogen 3.249 N/A SER 40.A OG GLU 37.A O no hydrogen 3.288 N/A SER 40.A OG SER 40.A O no hydrogen 2.244 N/A ASN 41.A N LEU 39.A O no hydrogen 2.517 N/A ASN 42.A ND2 GLU 37.A O no hydrogen 2.541 N/A ASN 42.A ND2 SER 40.A OG no hydrogen 2.675 N/A TYR 45.A OH ASN 41.A O no hydrogen 2.183 N/A ASN 48.A N SER 46.A OG no hydrogen 3.186 N/A LEU 52.A N ASN 49.A O no hydrogen 3.225 N/A LYS 53.A NZ GLU 78.A OE1 no hydrogen 3.545 N/A TYR 54.A N LEU 51.A O no hydrogen 3.239 N/A HIS 55.A N LEU 52.A O no hydrogen 3.100 N/A ILE 57.A N LYS 53.A O no hydrogen 3.249 N/A LEU 59.A N ASP 67.A OD1 no hydrogen 3.341 N/A ASN 60.A ND2 ASN 63.A O no hydrogen 2.814 N/A ASP 61.A N ASP 61.A OD1 no hydrogen 2.417 N/A ASP 67.A N ASN 63.A O no hydrogen 3.191 N/A VAL 68.A N LYS 64.A O no hydrogen 2.914 N/A GLU 69.A N THR 65.A O no hydrogen 2.943 N/A GLU 70.A N LYS 66.A O no hydrogen 2.957 N/A LYS 71.A N ASP 67.A O no hydrogen 2.960 N/A LYS 71.A NZ TYR 54.A O no hydrogen 2.585 N/A LYS 71.A NZ ILE 57.A O no hydrogen 3.063 N/A ARG 72.A N VAL 68.A O no hydrogen 2.843 N/A ASN 73.A N GLU 69.A O no hydrogen 3.018 N/A ILE 74.A N GLU 70.A O no hydrogen 2.994 N/A PHE 75.A N LYS 71.A O no hydrogen 2.852 N/A LYS 76.A N ARG 72.A O no hydrogen 2.893 N/A ARG 77.A N ASN 73.A O no hydrogen 3.095 N/A GLU 78.A N ILE 74.A O no hydrogen 2.874 N/A VAL 79.A N PHE 75.A O no hydrogen 2.831 N/A ALA 80.A N LYS 76.A O no hydrogen 3.022 N/A GLU 81.A N ARG 77.A O no hydrogen 3.015 N/A LEU 82.A N GLU 78.A O no hydrogen 2.849 N/A ILE 83.A N VAL 79.A O no hydrogen 2.906 N/A SER 84.A N ALA 80.A O no hydrogen 2.969 N/A SER 84.A OG ALA 80.A O no hydrogen 2.324 N/A ARG 85.A N GLU 81.A O no hydrogen 2.907 N/A ASN 86.A N LEU 82.A O no hydrogen 2.910 N/A PHE 87.A N ILE 83.A O no hydrogen 3.152 N/A LYS 88.A NZ ASP 198.A OD1 no hydrogen 3.180 N/A LYS 93.A NZ MET 146.A O no hydrogen 2.277 N/A ARG 95.A N GLY 91.A O no hydrogen 2.804 N/A ARG 95.A NE GLU 92.A OE1 no hydrogen 3.380 N/A ARG 95.A NH2 GLU 92.A OE2 no hydrogen 3.134 N/A ASN 96.A N GLU 92.A O no hydrogen 2.905 N/A TYR 97.A N LYS 93.A O no hydrogen 2.888 N/A PHE 98.A N VAL 94.A O no hydrogen 2.920 N/A ASP 99.A N ARG 95.A O no hydrogen 2.933 N/A SER 100.A N ASN 96.A O no hydrogen 2.931 N/A SER 100.A OG ASN 96.A O no hydrogen 3.191 N/A SER 100.A OG TYR 97.A O no hydrogen 2.739 N/A LEU 101.A N TYR 97.A O no hydrogen 2.918 N/A LYS 102.A N PHE 98.A O no hydrogen 2.910 N/A GLU 103.A N ASP 99.A O no hydrogen 2.998 N/A VAL 104.A N SER 100.A O no hydrogen 2.937 N/A LEU 105.A N LEU 101.A O no hydrogen 2.911 N/A LYS 106.A N LYS 102.A O no hydrogen 2.888 N/A LYS 106.A NZ GLU 103.A OE1 no hydrogen 3.128 N/A LYS 106.A NZ GLU 103.A OE2 no hydrogen 2.725 N/A SER 107.A N GLU 103.A O no hydrogen 2.986 N/A SER 107.A OG VAL 104.A O no hydrogen 2.497 N/A LEU 108.A N VAL 104.A O no hydrogen 3.169 N/A LYS 109.A N LYS 106.A O no hydrogen 3.054 N/A TYR 110.A N LEU 105.A O no hydrogen 3.192 N/A THR 111.A N TYR 241.A O no hydrogen 2.754 N/A ILE 112.A N ILE 281.A O no hydrogen 3.210 N/A VAL 113.A N ILE 239.A O no hydrogen 2.709 N/A ASP 114.A N GLU 279.A O no hydrogen 2.893 N/A VAL 115.A N PHE 237.A O no hydrogen 2.806 N/A GLU 116.A N LYS 277.A O no hydrogen 3.323 N/A ILE 117.A N PHE 235.A O no hydrogen 2.948 N/A THR 118.A N GLU 274.A O no hydrogen 2.949 N/A THR 119.A N VAL 233.A O no hydrogen 3.003 N/A THR 119.A OG1 THR 121.A O no hydrogen 2.582 N/A ARG 120.A N LEU 272.A O no hydrogen 2.815 N/A THR 121.A OG1 GLY 269.A O no hydrogen 3.524 N/A THR 121.A OG1 TYR 270.A O no hydrogen 2.253 N/A ARG 122.A NE ASP 204.A OD2 no hydrogen 2.976 N/A ARG 122.A NH2 ASP 204.A OD2 no hydrogen 2.805 N/A ALA 123.A N ILE 229.A O no hydrogen 2.922 N/A LEU 124.A N SER 271.A OG no hydrogen 3.104 N/A THR 129.A N GLY 126.A O no hydrogen 3.036 N/A THR 129.A OG1 GLY 126.A O no hydrogen 2.762 N/A ILE 135.A N GLY 132.A O no hydrogen 2.611 N/A PHE 136.A N GLY 132.A O no hydrogen 2.525 N/A GLY 139.A N VAL 127.A O no hydrogen 3.035 N/A SER 141.A N ILE 125.A O no hydrogen 2.951 N/A ASP 143.A N LEU 148.A O no hydrogen 2.805 N/A ASN 147.A ND2 ILE 19.A O no hydrogen 2.454 N/A LEU 148.A N ASP 143.A O no hydrogen 3.147 N/A TYR 150.A N SER 141.A O no hydrogen 3.022 N/A ILE 151.A N ALA 191.A O no hydrogen 2.942 N/A GLU 155.A N PRO 152.A O no hydrogen 3.000 N/A ILE 156.A N PRO 152.A O no hydrogen 3.180 N/A LYS 157.A N ALA 153.A O no hydrogen 2.942 N/A GLY 158.A N SER 154.A O no hydrogen 2.866 N/A ILE 159.A N GLU 155.A O no hydrogen 3.010 N/A VAL 160.A N ILE 156.A O no hydrogen 2.957 N/A ARG 161.A N LYS 157.A O no hydrogen 2.835 N/A ARG 161.A NE GLU 165.A OE2 no hydrogen 3.417 N/A ARG 161.A NH1 PHE 177.A O no hydrogen 3.566 N/A ARG 161.A NH1 GLY 178.A O no hydrogen 3.353 N/A ARG 161.A NH2 GLY 178.A O no hydrogen 3.058 N/A SER 162.A N GLY 158.A O no hydrogen 2.934 N/A SER 162.A OG ILE 159.A O no hydrogen 3.173 N/A TYR 163.A N ILE 159.A O no hydrogen 3.004 N/A ILE 164.A N VAL 160.A O no hydrogen 2.916 N/A GLU 165.A N ARG 161.A O no hydrogen 2.862 N/A GLY 166.A N SER 162.A O no hydrogen 2.965 N/A LYS 167.A N TYR 163.A O no hydrogen 2.903 N/A LYS 167.A NZ ASP 252.A OD2 no hydrogen 2.582 N/A LEU 168.A N ILE 164.A O no hydrogen 2.812 N/A LEU 168.A N GLU 165.A O no hydrogen 3.221 N/A GLY 169.A N GLU 165.A O no hydrogen 2.866 N/A ALA 173.A N GLY 169.A O no hydrogen 3.007 N/A GLU 174.A N GLU 170.A O no hydrogen 2.909 N/A GLU 175.A N GLN 171.A O no hydrogen 2.924 N/A ILE 176.A N GLU 172.A O no hydrogen 2.988 N/A ILE 176.A N ALA 173.A O no hydrogen 3.030 N/A PHE 177.A N ALA 173.A O no hydrogen 2.836 N/A GLY 178.A N GLU 174.A O no hydrogen 2.633 N/A ASN 179.A ND2 GLU 174.A OE1 no hydrogen 3.490 N/A GLU 181.A N ASN 179.A OD1 no hydrogen 3.195 N/A ARG 182.A N ASN 179.A O no hydrogen 3.166 N/A ASN 185.A N ILE 176.A O no hydrogen 2.947 N/A ASN 185.A ND2 ILE 176.A O no hydrogen 3.154 N/A ASN 187.A N TYR 240.A O no hydrogen 2.903 N/A THR 189.A N LEU 238.A O no hydrogen 3.313 N/A THR 189.A OG1 ASP 190.A O no hydrogen 3.028 N/A THR 189.A OG1 LEU 238.A O no hydrogen 3.561 N/A ALA 191.A N ILE 151.A O no hydrogen 2.998 N/A TYR 192.A N ARG 236.A O no hydrogen 3.053 N/A TYR 192.A OH ASP 143.A OD2 no hydrogen 2.294 N/A THR 194.A N THR 234.A O no hydrogen 2.730 N/A THR 194.A OG1 GLU 116.A OE2 no hydrogen 3.023 N/A THR 194.A OG1 THR 234.A O no hydrogen 3.477 N/A SER 196.A OG ASP 198.A O no hydrogen 2.867 N/A LYS 197.A N LYS 232.A O no hydrogen 3.249 N/A VAL 202.A N THR 228.A O no hydrogen 2.748 N/A ASP 204.A N HIS 226.A O no hydrogen 2.748 N/A ILE 206.A N VAL 224.A O no hydrogen 3.296 N/A TYR 210.A OH GLU 216.A OE1 no hydrogen 3.426 N/A LYS 214.A N ASP 218.A OD2 no hydrogen 3.053 N/A ALA 217.A N SER 215.A OG no hydrogen 3.162 N/A ASP 218.A N SER 215.A O no hydrogen 3.158 N/A VAL 224.A N ILE 206.A O no hydrogen 2.810 N/A HIS 226.A N ASP 204.A O no hydrogen 3.180 N/A THR 228.A N VAL 202.A O no hydrogen 2.738 N/A THR 228.A OG1 VAL 202.A O no hydrogen 3.450 N/A ILE 229.A N ALA 123.A O no hydrogen 3.061 N/A ALA 230.A N LEU 200.A O no hydrogen 2.737 N/A LYS 232.A N THR 119.A O no hydrogen 2.736 N/A THR 234.A N ARG 195.A O no hydrogen 2.663 N/A THR 234.A OG1 ARG 195.A O no hydrogen 3.364 N/A PHE 235.A N ILE 117.A O no hydrogen 3.016 N/A ARG 236.A N TYR 192.A O no hydrogen 2.874 N/A ARG 236.A NE ASP 114.A OD1 no hydrogen 2.779 N/A ARG 236.A NE ASP 114.A OD2 no hydrogen 2.950 N/A ARG 236.A NH1 ASP 99.A OD2 no hydrogen 3.567 N/A PHE 237.A N VAL 115.A O no hydrogen 2.783 N/A LEU 238.A N THR 189.A OG1 no hydrogen 2.961 N/A ILE 239.A N VAL 113.A O no hydrogen 3.151 N/A TYR 240.A N ASN 187.A O no hydrogen 3.133 N/A TYR 241.A N THR 111.A O no hydrogen 3.198 N/A ASP 245.A N ASP 245.A OD1 no hydrogen 2.600 N/A VAL 246.A N GLU 244.A O no hydrogen 2.647 N/A GLY 247.A N GLU 244.A O no hydrogen 2.965 N/A CYS 251.A N GLY 247.A O no hydrogen 3.090 N/A CYS 251.A SG GLY 247.A O no hydrogen 3.175 N/A CYS 251.A SG LYS 248.A O no hydrogen 3.571 N/A ASP 252.A N LYS 248.A O no hydrogen 3.063 N/A SER 253.A N PRO 249.A O no hydrogen 2.624 N/A MET 254.A N ILE 250.A O no hydrogen 2.973 N/A ILE 256.A N SER 253.A O no hydrogen 2.911 N/A ILE 257.A N SER 253.A O no hydrogen 3.214 N/A ILE 259.A N ILE 256.A O no hydrogen 2.926 N/A ARG 260.A NH1 ILE 256.A O no hydrogen 3.443 N/A LEU 262.A N SER 271.A O no hydrogen 2.775 N/A ALA 264.A N LEU 124.A O no hydrogen 2.513 N/A ARG 265.A NH1 HIS 226.A NE2 no hydrogen 3.507 N/A GLY 269.A N SER 266.A O no hydrogen 3.322 N/A TYR 270.A OH ASP 204.A OD2 no hydrogen 2.502 N/A SER 271.A OG LEU 124.A O no hydrogen 3.418 N/A SER 271.A OG ALA 264.A O no hydrogen 3.152 N/A LEU 272.A N THR 121.A OG1 no hydrogen 3.387 N/A LEU 272.A N TYR 270.A O no hydrogen 3.073 N/A PHE 273.A N LEU 258.A O no hydrogen 3.151 N/A GLU 274.A N THR 118.A O no hydrogen 2.708 N/A ARG 276.A N GLU 116.A O no hydrogen 2.961 N/A GLU 279.A N ASP 114.A O no hydrogen 2.895 N/A ILE 281.A N ILE 112.A O no hydrogen 2.685 N/A