Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6shb_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N LEU 130.A O no hydrogen 3.164 N/A GLU 7.A N LEU 241.A O no hydrogen 2.678 N/A PHE 9.A N SER 239.A O no hydrogen 2.765 N/A ILE 11.A N PHE 237.A O no hydrogen 2.683 N/A HIS 12.A N GLU 277.A O no hydrogen 2.911 N/A ALA 13.A N THR 235.A O no hydrogen 2.907 N/A ILE 14.A N ILE 275.A O no hydrogen 3.054 N/A THR 15.A OG1 HIS 16.A O no hydrogen 2.873 N/A THR 15.A OG1 GLY 272.A O no hydrogen 3.254 N/A LEU 17.A N VAL 231.A O no hydrogen 3.411 N/A HIS 18.A ND1 GLU 229.A O no hydrogen 2.557 N/A SER 21.A N PRO 32.A O no hydrogen 3.411 N/A SER 23.A OG GLY 22.A O no hydrogen 2.757 N/A SER 23.A OG SER 23.A O no hydrogen 2.428 N/A GLU 26.A N SER 24.A OG no hydrogen 3.132 N/A ALA 30.A N GLU 27.A OE1 no hydrogen 2.334 N/A PHE 33.A N GLU 229.A OE1 no hydrogen 3.037 N/A GLN 34.A N VAL 19.A O no hydrogen 3.008 N/A GLN 34.A NE2 GLY 20.A O no hydrogen 3.310 N/A GLN 34.A NE2 SER 47.A OG no hydrogen 3.117 N/A ARG 35.A NE GLY 39.A O no hydrogen 2.907 N/A ARG 35.A NH1 GLU 229.A OE1 no hydrogen 3.160 N/A ARG 35.A NH2 ASN 202.A OD1 no hydrogen 2.947 N/A ASP 36.A N TYR 40.A O no hydrogen 2.715 N/A GLU 37.A N GLU 37.A OE1 no hydrogen 2.697 N/A LEU 38.A N ASP 36.A OD1 no hydrogen 2.693 N/A GLY 39.A N ASP 36.A O no hydrogen 2.730 N/A THR 42.A N GLN 34.A O no hydrogen 3.069 N/A THR 42.A OG1 ALA 88.A O no hydrogen 2.917 N/A TYR 44.A N GLN 34.A OE1 no hydrogen 3.065 N/A TYR 44.A OH ARG 35.A O no hydrogen 2.858 N/A ALA 45.A N ASP 87.A OD1 no hydrogen 2.853 N/A LEU 48.A N TYR 44.A O no hydrogen 3.099 N/A LYS 49.A N ALA 45.A O no hydrogen 2.888 N/A LYS 49.A NZ LEU 71.A O no hydrogen 2.642 N/A GLY 50.A N SER 46.A O no hydrogen 2.942 N/A ALA 51.A N SER 47.A O no hydrogen 2.951 N/A ILE 52.A N LEU 48.A O no hydrogen 2.972 N/A LYS 53.A N LYS 49.A O no hydrogen 2.866 N/A LYS 53.A NZ GLY 72.A O no hydrogen 2.423 N/A SER 54.A N GLY 50.A O no hydrogen 2.959 N/A SER 54.A OG GLY 50.A O no hydrogen 3.536 N/A SER 54.A OG ALA 51.A O no hydrogen 2.886 N/A PHE 55.A N ALA 51.A O no hydrogen 2.989 N/A LEU 56.A N ILE 52.A O no hydrogen 2.917 N/A LEU 57.A N LYS 53.A O no hydrogen 2.929 N/A LYS 58.A N SER 54.A O no hydrogen 2.983 N/A LYS 58.A N PHE 55.A O no hydrogen 3.116 N/A GLU 59.A N PHE 55.A O no hydrogen 2.973 N/A GLU 59.A N LEU 56.A O no hydrogen 3.212 N/A PHE 60.A N LEU 56.A O no hydrogen 2.879 N/A ASP 62.A N ASP 62.A OD1 no hydrogen 2.316 N/A LYS 63.A N PHE 60.A O no hydrogen 3.012 N/A VAL 66.A N ASP 65.A OD1 no hydrogen 2.447 N/A ILE 67.A N LYS 63.A O no hydrogen 3.016 N/A TYR 68.A N ARG 64.A O no hydrogen 2.514 N/A LYS 69.A N ASP 65.A O no hydrogen 2.672 N/A LYS 69.A NZ GLU 79.A OE2 no hydrogen 2.969 N/A VAL 70.A N VAL 66.A O no hydrogen 3.054 N/A VAL 70.A N ILE 67.A O no hydrogen 2.978 N/A LEU 71.A N ILE 67.A O no hydrogen 2.736 N/A GLY 72.A N TYR 68.A O no hydrogen 3.019 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.409 N/A THR 84.A N LEU 242.A O no hydrogen 2.778 N/A LEU 86.A N VAL 240.A O no hydrogen 3.138 N/A ALA 88.A N ILE 43.A O no hydrogen 2.931 N/A PHE 91.A N ILE 236.A O no hydrogen 2.789 N/A ALA 92.A N ILE 236.A O no hydrogen 3.195 N/A ILE 93.A N VAL 111.A O no hydrogen 3.103 N/A ARG 96.A N ASN 165.A OD1 no hydrogen 3.402 N/A ARG 96.A NE GLU 166.A OE1 no hydrogen 3.049 N/A ARG 96.A NH2 GLU 166.A OE1 no hydrogen 3.073 N/A ARG 96.A NH2 GLU 166.A OE2 no hydrogen 3.500 N/A ILE 98.A N ILE 163.A O no hydrogen 2.916 N/A SER 102.A OG ILE 100.A O no hydrogen 2.884 N/A TYR 106.A N GLU 99.A OE2 no hydrogen 3.176 N/A VAL 109.A N SER 95.A O no hydrogen 2.982 N/A TYR 110.A N PRO 188.A O no hydrogen 3.408 N/A TYR 110.A OH LYS 234.A O no hydrogen 2.762 N/A VAL 111.A N ILE 93.A O no hydrogen 2.823 N/A THR 112.A N LEU 190.A O no hydrogen 2.728 N/A THR 112.A OG1 PHE 91.A O no hydrogen 3.548 N/A THR 113.A OG1 TYR 40.A OH no hydrogen 3.381 N/A TYR 114.A OH LYS 151.A O no hydrogen 2.593 N/A LEU 117.A N THR 113.A O no hydrogen 3.414 N/A LYS 118.A N TYR 114.A O no hydrogen 2.895 N/A LYS 119.A N GLU 115.A O no hydrogen 2.989 N/A VAL 120.A N LEU 116.A O no hydrogen 2.937 N/A LYS 121.A N LEU 117.A O no hydrogen 2.907 N/A LEU 122.A N LYS 118.A O no hydrogen 2.900 N/A TYR 123.A N LYS 119.A O no hydrogen 2.963 N/A TYR 123.A OH ASP 87.A O no hydrogen 2.837 N/A LEU 124.A N VAL 120.A O no hydrogen 2.982 N/A ASP 125.A N LYS 121.A O no hydrogen 2.883 N/A SER 126.A N LEU 122.A O no hydrogen 2.945 N/A SER 126.A OG LEU 122.A O no hydrogen 2.479 N/A ILE 127.A N TYR 123.A O no hydrogen 2.995 N/A SER 128.A N LEU 124.A O no hydrogen 2.887 N/A SER 128.A N ASP 125.A O no hydrogen 3.137 N/A SER 128.A OG ASP 125.A O no hydrogen 2.993 N/A GLN 129.A N ASP 125.A O no hydrogen 2.997 N/A LEU 130.A N SER 126.A O no hydrogen 2.979 N/A SER 131.A OG TYR 3.A O no hydrogen 3.364 N/A LYS 139.A N PHE 135.A O no hydrogen 3.013 N/A ASN 140.A N SER 136.A O no hydrogen 2.874 N/A LYS 141.A N ASN 137.A O no hydrogen 2.995 N/A ILE 142.A N LEU 138.A O no hydrogen 2.904 N/A ASP 143.A N LYS 139.A O no hydrogen 2.955 N/A THR 144.A N ASN 140.A O no hydrogen 2.902 N/A THR 144.A OG1 ASN 140.A O no hydrogen 2.127 N/A ILE 145.A N LYS 141.A O no hydrogen 3.046 N/A LEU 146.A N ILE 142.A O no hydrogen 2.832 N/A ALA 147.A N ASP 143.A O no hydrogen 2.925 N/A LYS 148.A N ILE 145.A O no hydrogen 2.896 N/A LYS 148.A NZ ALA 174.A O no hydrogen 3.397 N/A GLU 149.A N LEU 146.A O no hydrogen 3.086 N/A LYS 151.A NZ LYS 148.A O no hydrogen 3.533 N/A ILE 153.A N VAL 191.A O no hydrogen 3.050 N/A LEU 155.A N LEU 189.A O no hydrogen 3.122 N/A SER 157.A OG ASP 158.A OD1 no hydrogen 3.496 N/A LEU 159.A N SER 157.A OG no hydrogen 2.790 N/A SER 161.A OG TYR 169.A OH no hydrogen 2.445 N/A ALA 162.A N VAL 170.A O no hydrogen 3.224 N/A ILE 163.A N ILE 98.A O no hydrogen 3.135 N/A LEU 164.A N PHE 168.A O no hydrogen 2.778 N/A ASN 165.A N ARG 96.A O no hydrogen 2.579 N/A ASP 167.A N LEU 164.A O no hydrogen 3.344 N/A PHE 168.A N LEU 164.A O no hydrogen 3.255 N/A TYR 169.A OH SER 161.A OG no hydrogen 2.445 N/A VAL 170.A N ALA 162.A O no hydrogen 3.077 N/A LEU 172.A N LYS 160.A O no hydrogen 2.613 N/A LEU 175.A N THR 154.A O no hydrogen 2.764 N/A ASN 177.A ND2 LYS 141.A O no hydrogen 3.622 N/A LYS 178.A NZ ASN 176.A OD1 no hydrogen 2.376 N/A SER 181.A OG VAL 284.A O no hydrogen 2.714 N/A ASN 184.A ND2 PRO 180.A O no hydrogen 3.215 N/A ASN 184.A ND2 SER 181.A O no hydrogen 3.015 N/A GLY 186.A N ILE 183.A O no hydrogen 3.113 N/A LEU 190.A N TYR 110.A O no hydrogen 2.856 N/A VAL 191.A N ILE 153.A O no hydrogen 3.174 N/A LEU 192.A N THR 112.A O no hydrogen 2.890 N/A GLY 197.A N GLU 193.A O no hydrogen 2.789 N/A VAL 200.A N ILE 196.A O no hydrogen 3.378 N/A ILE 201.A N GLY 197.A O no hydrogen 2.936 N/A ASN 202.A N ARG 198.A O no hydrogen 2.915 N/A ASN 202.A ND2 ARG 198.A O no hydrogen 2.688 N/A ARG 203.A N GLU 199.A O no hydrogen 2.955 N/A ARG 203.A NH1 ASN 165.A O no hydrogen 2.509 N/A ARG 203.A NH2 GLU 166.A OE2 no hydrogen 3.466 N/A SER 204.A N ILE 201.A O no hydrogen 3.243 N/A SER 204.A OG PRO 94.A O no hydrogen 2.433 N/A SER 204.A OG SER 204.A O no hydrogen 2.249 N/A ILE 206.A N TYR 230.A O no hydrogen 3.009 N/A ARG 207.A NE GLU 229.A OE2 no hydrogen 3.159 N/A ARG 207.A NH2 GLU 28.A OE1 no hydrogen 3.296 N/A ARG 207.A NH2 GLU 229.A OE2 no hydrogen 3.155 N/A VAL 208.A N GLU 228.A O no hydrogen 3.000 N/A ARG 210.A N TRP 226.A O no hydrogen 2.775 N/A ARG 210.A NH1 GLU 228.A OE2 no hydrogen 3.231 N/A ARG 212.A N GLY 224.A O no hydrogen 3.132 N/A ASP 214.A N VAL 219.A O no hydrogen 2.614 N/A LYS 217.A N ASP 214.A OD2 no hydrogen 2.888 N/A LYS 218.A N ASP 214.A O no hydrogen 2.488 N/A LYS 218.A NZ ARG 215.A O no hydrogen 3.158 N/A GLU 221.A N ARG 212.A O no hydrogen 2.908 N/A GLY 224.A N GLU 221.A O no hydrogen 3.409 N/A TRP 226.A N ARG 210.A O no hydrogen 3.223 N/A TRP 226.A NE1 GLU 228.A OE2 no hydrogen 2.857 N/A GLU 228.A N VAL 208.A O no hydrogen 3.288 N/A GLU 229.A N LEU 31.A O no hydrogen 3.268 N/A TYR 230.A N ILE 206.A O no hydrogen 2.807 N/A VAL 231.A N LEU 17.A O no hydrogen 3.004 N/A LYS 234.A N ALA 13.A O no hydrogen 2.470 N/A THR 235.A N PRO 232.A O no hydrogen 3.360 N/A THR 235.A OG1 PRO 232.A O no hydrogen 2.233 N/A ILE 236.A N ALA 92.A O no hydrogen 3.058 N/A PHE 237.A N ILE 11.A O no hydrogen 2.953 N/A PHE 238.A N ILE 89.A O no hydrogen 2.485 N/A SER 239.A N PHE 9.A O no hydrogen 3.040 N/A SER 239.A OG LEU 86.A O no hydrogen 2.965 N/A LEU 241.A N GLU 7.A O no hydrogen 3.169 N/A LEU 242.A N THR 84.A O no hydrogen 2.857 N/A GLY 243.A N PHE 5.A O no hydrogen 2.807 N/A LYS 244.A N LEU 82.A O no hydrogen 2.802 N/A GLU 248.A N SER 246.A OG no hydrogen 3.104 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.496 N/A SER 249.A OG LYS 244.A O no hydrogen 2.836 N/A ALA 250.A N SER 246.A O no hydrogen 3.462 N/A ILE 251.A N LYS 247.A O no hydrogen 3.352 N/A PHE 252.A N GLU 248.A O no hydrogen 2.784 N/A ALA 253.A N SER 249.A O no hydrogen 2.908 N/A SER 254.A N ALA 250.A O no hydrogen 2.922 N/A SER 254.A OG ALA 250.A O no hydrogen 2.510 N/A SER 254.A OG ILE 251.A O no hydrogen 3.353 N/A CYS 255.A N ILE 251.A O no hydrogen 2.988 N/A LEU 257.A N PHE 252.A O no hydrogen 3.088 N/A ARG 258.A NH1 ASP 283.A OD2 no hydrogen 2.569 N/A ARG 258.A NH2 ASP 283.A OD2 no hydrogen 2.986 N/A ASN 259.A N CYS 255.A O no hydrogen 3.292 N/A ASN 259.A N ILE 256.A O no hydrogen 2.917 N/A VAL 263.A N VAL 276.A O no hydrogen 3.183 N/A LEU 265.A N GLY 274.A O no hydrogen 2.717 N/A GLY 267.A N HIS 18.A O no hydrogen 2.843 N/A ILE 271.A N LYS 268.A O no hydrogen 2.996 N/A GLY 272.A N GLU 269.A O no hydrogen 3.199 N/A LYS 273.A NZ ILE 271.A O no hydrogen 3.191 N/A GLU 277.A N HIS 12.A O no hydrogen 2.973 N/A LEU 278.A N ARG 261.A O no hydrogen 2.909 N/A ARG 279.A NE GLU 277.A OE1 no hydrogen 2.842 N/A ARG 279.A NH2 ASN 184.A OD1 no hydrogen 3.320 N/A TRP 280.A NE1 LEU 260.A O no hydrogen 3.115 N/A VAL 281.A N PRO 8.A O no hydrogen 2.992 N/A LYS 282.A NZ GLU 7.A OE2 no hydrogen 3.448 N/A ASP 283.A N TRP 280.A O no hydrogen 2.661 N/A VAL 284.A N VAL 281.A O no hydrogen 2.914 N/A ILE 285.A N VAL 281.A O no hydrogen 2.978 N/A