Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b8r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH GLU 11.A OE1 no hydrogen 2.656 N/A LYS 9.A N ASP 6.A O no hydrogen 3.179 N/A LYS 9.A N ASP 6.A OD1 no hydrogen 2.670 N/A TRP 10.A N ASP 6.A O no hydrogen 3.066 N/A GLU 11.A N ALA 7.A O no hydrogen 2.873 N/A PHE 12.A N ALA 82.A O no hydrogen 2.853 N/A ARG 14.A NE PRO 89.A O no hydrogen 3.057 N/A ARG 14.A NH1 LYS 85.A O no hydrogen 2.817 N/A ARG 14.A NH1 PRO 89.A O no hydrogen 2.947 N/A ARG 14.A NH2 LYS 85.A O no hydrogen 3.148 N/A ASP 15.A N ASP 15.A OD1 no hydrogen 2.450 N/A ARG 16.A N PRO 13.A O no hydrogen 3.051 N/A ARG 16.A NH2 PHE 32.A O no hydrogen 3.291 N/A LEU 17.A N ARG 14.A O no hydrogen 3.051 N/A LYS 18.A N ASP 30.A O no hydrogen 2.753 N/A GLY 20.A N GLU 28.A O no hydrogen 2.564 N/A LEU 23.A N VAL 26.A O no hydrogen 2.860 N/A GLY 24.A N VAL 26.A O no hydrogen 3.136 N/A GLN 25.A N MET 47.A O no hydrogen 3.269 N/A GLN 25.A NE2 GLY 24.A O no hydrogen 3.495 N/A VAL 26.A N GLY 24.A O no hydrogen 2.804 N/A ILE 27.A N VAL 45.A O no hydrogen 2.698 N/A GLU 28.A N LYS 21.A O no hydrogen 2.803 N/A ALA 29.A N VAL 43.A O no hydrogen 2.859 N/A ASP 30.A N LYS 18.A O no hydrogen 3.086 N/A ALA 31.A N ARG 41.A O no hydrogen 2.849 N/A PHE 32.A N ARG 16.A O no hydrogen 2.888 N/A GLY 33.A N THR 39.A O no hydrogen 3.141 N/A THR 37.A N ASP 35.A OD1 no hydrogen 2.772 N/A THR 37.A OG1 ASP 35.A OD1 no hydrogen 2.548 N/A THR 37.A OG1 THR 39.A OG1 no hydrogen 2.516 N/A ALA 38.A N ASP 35.A O no hydrogen 2.902 N/A THR 39.A OG1 THR 37.A OG1 no hydrogen 2.516 N/A CYS 40.A SG ALA 31.A O no hydrogen 3.970 N/A ARG 41.A N ALA 31.A O no hydrogen 2.997 N/A ARG 41.A NH1 ASP 35.A OD2 no hydrogen 3.051 N/A THR 42.A OG1 ASP 30.A OD1 no hydrogen 3.534 N/A VAL 43.A N ALA 29.A O no hydrogen 2.708 N/A ALA 44.A N THR 94.A O no hydrogen 3.016 N/A VAL 45.A N ILE 27.A O no hydrogen 2.645 N/A LYS 46.A N VAL 92.A O no hydrogen 3.063 N/A LYS 46.A NZ GLU 63.A OE2 no hydrogen 2.680 N/A LYS 46.A NZ ASP 174.A OD1 no hydrogen 3.108 N/A MET 47.A N GLN 25.A O no hydrogen 3.154 N/A GLU 56.A N THR 53.A O no hydrogen 2.596 N/A HIS 57.A N THR 53.A O no hydrogen 3.172 N/A ALA 59.A N SER 55.A O no hydrogen 3.091 N/A LEU 60.A N GLU 56.A O no hydrogen 3.035 N/A MET 61.A N HIS 57.A O no hydrogen 2.801 N/A SER 62.A N ARG 58.A O no hydrogen 2.779 N/A SER 62.A N ALA 59.A O no hydrogen 3.089 N/A SER 62.A OG ARG 58.A O no hydrogen 3.209 N/A SER 62.A OG ALA 59.A O no hydrogen 2.676 N/A GLU 63.A N ALA 59.A O no hydrogen 3.040 N/A LEU 64.A N LEU 60.A O no hydrogen 3.156 N/A LYS 65.A N MET 61.A O no hydrogen 3.180 N/A LYS 65.A NZ GLU 1.A O no hydrogen 3.234 N/A ILE 66.A N SER 62.A O no hydrogen 2.828 N/A LEU 67.A N GLU 63.A O no hydrogen 3.200 N/A ILE 68.A N LEU 64.A O no hydrogen 3.012 N/A HIS 69.A N LYS 65.A O no hydrogen 2.831 N/A ILE 70.A N ILE 66.A O no hydrogen 2.700 N/A GLY 71.A N LEU 67.A O no hydrogen 3.317 N/A HIS 72.A ND1 ASN 78.A OD1 no hydrogen 2.349 N/A ASN 75.A N HIS 73.A ND1 no hydrogen 2.826 N/A ASN 75.A ND2 GLN 139.A OE1 no hydrogen 2.905 N/A ASN 75.A ND2 VAL 170.A O no hydrogen 3.051 N/A VAL 76.A N HIS 73.A O no hydrogen 3.053 N/A VAL 77.A N ILE 172.A O no hydrogen 2.782 N/A ASN 78.A N GLU 95.A OE2 no hydrogen 2.546 N/A ASN 78.A ND2 HIS 73.A O no hydrogen 3.649 N/A ASN 78.A ND2 GLU 95.A OE2 no hydrogen 2.484 N/A LEU 80.A N ILE 93.A O no hydrogen 2.660 N/A GLY 81.A N ILE 93.A O no hydrogen 3.315 N/A ALA 82.A N TRP 10.A O no hydrogen 2.892 N/A CYS 83.A N MET 91.A O no hydrogen 2.812 N/A CYS 83.A SG PHE 12.A O no hydrogen 3.296 N/A THR 84.A N GLU 11.A OE2 no hydrogen 2.782 N/A THR 84.A OG1 GLU 11.A OE1 no hydrogen 2.641 N/A LYS 85.A N GLU 11.A OE2 no hydrogen 3.097 N/A MET 91.A N CYS 83.A O no hydrogen 3.018 N/A VAL 92.A N LYS 46.A O no hydrogen 3.066 N/A ILE 93.A N GLY 81.A O no hydrogen 2.837 N/A THR 94.A N ALA 44.A O no hydrogen 3.002 N/A THR 94.A OG1 GLU 95.A O no hydrogen 3.096 N/A GLU 95.A N ASN 78.A O no hydrogen 2.842 N/A CYS 97.A SG SER 165.A OG no hydrogen 3.191 N/A LYS 98.A NZ GLU 166.A OE2 no hydrogen 2.819 N/A PHE 99.A N LEU 164.A O no hydrogen 3.088 N/A GLY 100.A N CYS 97.A O no hydrogen 3.203 N/A ASN 101.A ND2 THR 104.A OG1 no hydrogen 2.750 N/A LEU 102.A N ILE 162.A O no hydrogen 2.758 N/A THR 104.A N ASN 101.A OD1 no hydrogen 2.835 N/A TYR 105.A N ASN 101.A O no hydrogen 3.195 N/A LEU 106.A N LEU 102.A O no hydrogen 2.900 N/A ARG 107.A N SER 103.A O no hydrogen 3.092 N/A ARG 107.A NH2 SER 103.A OG no hydrogen 2.841 N/A SER 108.A N THR 104.A O no hydrogen 3.162 N/A SER 108.A N TYR 105.A O no hydrogen 3.063 N/A SER 108.A OG TYR 105.A O no hydrogen 2.629 N/A LYS 109.A N LEU 106.A O no hydrogen 3.144 N/A LYS 109.A NZ GLU 112.A OE2 no hydrogen 2.530 N/A LYS 109.A NZ ASP 126.A O no hydrogen 2.634 N/A ARG 110.A NE LEU 212.A O no hydrogen 2.803 N/A ARG 110.A NH1 LEU 212.A O no hydrogen 3.164 N/A GLU 112.A N LYS 109.A O no hydrogen 2.784 N/A VAL 114.A N LEU 128.A O no hydrogen 3.072 N/A LYS 117.A NZ TYR 124.A O no hydrogen 3.547 N/A LEU 123.A N PRO 120.A O no hydrogen 3.252 N/A TYR 124.A N GLU 121.A O no hydrogen 2.744 N/A LYS 125.A N ASP 122.A O no hydrogen 3.492 N/A LEU 128.A N GLU 112.A O no hydrogen 2.806 N/A THR 129.A OG1 HIS 132.A ND1 no hydrogen 2.713 N/A LEU 130.A N PRO 115.A O no hydrogen 3.060 N/A HIS 132.A ND1 THR 129.A OG1 no hydrogen 2.713 N/A LEU 133.A N THR 129.A O no hydrogen 3.127 N/A ILE 134.A N LEU 130.A O no hydrogen 2.931 N/A CYS 135.A N GLU 131.A O no hydrogen 2.805 N/A TYR 136.A N HIS 132.A O no hydrogen 2.871 N/A SER 137.A N LEU 133.A O no hydrogen 3.172 N/A SER 137.A OG LEU 133.A O no hydrogen 2.925 N/A PHE 138.A N ILE 134.A O no hydrogen 2.819 N/A GLN 139.A N CYS 135.A O no hydrogen 2.962 N/A GLN 139.A NE2 CYS 135.A O no hydrogen 3.699 N/A GLN 139.A NE2 ASN 168.A O no hydrogen 2.802 N/A VAL 140.A N TYR 136.A O no hydrogen 3.073 N/A ALA 141.A N SER 137.A O no hydrogen 3.026 N/A LYS 142.A N PHE 138.A O no hydrogen 2.966 N/A GLY 143.A N GLN 139.A O no hydrogen 2.945 N/A MET 144.A N VAL 140.A O no hydrogen 2.902 N/A GLU 145.A N ALA 141.A O no hydrogen 2.770 N/A PHE 146.A N LYS 142.A O no hydrogen 2.914 N/A LEU 147.A N GLY 143.A O no hydrogen 2.906 N/A ALA 148.A N MET 144.A O no hydrogen 2.689 N/A SER 149.A N GLU 145.A O no hydrogen 2.965 N/A SER 149.A OG GLU 145.A O no hydrogen 3.305 N/A SER 149.A OG PHE 146.A O no hydrogen 2.736 N/A ARG 150.A N LEU 147.A O no hydrogen 2.953 N/A ARG 150.A NH2 PHE 146.A O no hydrogen 3.218 N/A LYS 151.A N ALA 148.A O no hydrogen 2.915 N/A CYS 152.A N LEU 147.A O no hydrogen 3.048 N/A HIS 154.A N ASP 198.A OD2 no hydrogen 2.738 N/A HIS 154.A NE2 CYS 173.A O no hydrogen 3.080 N/A ARG 155.A N ASP 198.A OD1 no hydrogen 3.098 N/A ASP 156.A N HIS 154.A ND1 no hydrogen 3.072 N/A ALA 159.A N GLU 208.A OE1 no hydrogen 2.875 N/A ARG 160.A NH1 ASP 156.A OD1 no hydrogen 3.185 N/A ARG 160.A NH2 ASP 156.A OD1 no hydrogen 3.145 N/A ARG 160.A NH2 ASP 156.A OD2 no hydrogen 2.714 N/A ASN 161.A N ALA 158.A O no hydrogen 2.881 N/A ASN 161.A ND2 ASP 156.A O no hydrogen 2.521 N/A ASN 161.A ND2 ASP 156.A OD2 no hydrogen 3.015 N/A ILE 162.A N ALA 159.A O no hydrogen 2.959 N/A LEU 163.A N LYS 171.A O no hydrogen 2.913 N/A LEU 164.A N GLY 100.A O no hydrogen 2.736 N/A SER 165.A N VAL 169.A O no hydrogen 2.949 N/A VAL 170.A N GLN 139.A OE1 no hydrogen 3.228 N/A LYS 171.A N LEU 163.A O no hydrogen 2.868 N/A LYS 171.A NZ LEU 74.A O no hydrogen 2.810 N/A LYS 171.A NZ GLU 95.A OE2 no hydrogen 3.461 N/A ILE 172.A N ASN 75.A O no hydrogen 2.889 N/A CYS 173.A N ASN 161.A O no hydrogen 3.167 N/A CYS 173.A SG ASN 161.A O no hydrogen 3.453 N/A GLY 176.A N HIS 154.A O no hydrogen 3.018 N/A LYS 181.A NZ PRO 216.A O no hydrogen 3.108 N/A TRP 182.A N PRO 179.A O no hydrogen 2.869 N/A TRP 182.A NE1 GLU 208.A OE1 no hydrogen 2.844 N/A MET 183.A N LEU 180.A O no hydrogen 3.098 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.708 N/A THR 187.A OG1 VAL 192.A O no hydrogen 2.580 N/A ILE 188.A N ALA 184.A O no hydrogen 3.035 N/A PHE 189.A N PRO 185.A O no hydrogen 2.890 N/A ASP 190.A N GLU 186.A O no hydrogen 2.680 N/A THR 194.A N SER 197.A OG no hydrogen 2.563 N/A THR 194.A OG1 GLN 196.A OE1 no hydrogen 3.340 N/A SER 197.A N THR 194.A O no hydrogen 3.115 N/A SER 197.A N THR 194.A OG1 no hydrogen 3.101 N/A SER 197.A OG THR 194.A O no hydrogen 2.566 N/A ASP 198.A N THR 194.A O no hydrogen 3.288 N/A ASP 198.A N ILE 195.A O no hydrogen 3.095 N/A VAL 199.A N ILE 195.A O no hydrogen 3.162 N/A VAL 199.A N GLN 196.A O no hydrogen 3.109 N/A TRP 200.A N GLN 196.A O no hydrogen 3.275 N/A SER 201.A N SER 197.A O no hydrogen 3.300 N/A SER 201.A OG TRP 182.A O no hydrogen 2.599 N/A SER 201.A OG SER 197.A O no hydrogen 3.357 N/A PHE 202.A N ASP 198.A O no hydrogen 2.866 N/A GLY 203.A N VAL 199.A O no hydrogen 2.987 N/A VAL 204.A N TRP 200.A O no hydrogen 3.261 N/A LEU 205.A N SER 201.A O no hydrogen 2.880 N/A LEU 206.A N PHE 202.A O no hydrogen 2.865 N/A TRP 207.A N GLY 203.A O no hydrogen 3.186 N/A TRP 207.A NE1 ARG 237.A O no hydrogen 3.043 N/A GLU 208.A N VAL 204.A O no hydrogen 2.974 N/A ILE 209.A N LEU 205.A O no hydrogen 2.928 N/A PHE 210.A N LEU 206.A O no hydrogen 2.878 N/A SER 211.A N GLU 208.A O no hydrogen 3.193 N/A SER 211.A OG TRP 207.A O no hydrogen 2.785 N/A SER 211.A OG GLU 208.A O no hydrogen 2.724 N/A LEU 212.A N ILE 209.A O no hydrogen 3.137 N/A GLY 213.A N GLU 208.A O no hydrogen 3.063 N/A ALA 214.A N SER 211.A OG no hydrogen 3.305 N/A VAL 220.A N TYR 217.A O no hydrogen 3.257 N/A PHE 226.A N ASP 223.A OD2 no hydrogen 3.025 N/A CYS 227.A N ASP 223.A O no hydrogen 3.277 N/A CYS 227.A SG ASP 223.A O no hydrogen 3.466 N/A ARG 228.A N GLU 224.A O no hydrogen 2.999 N/A ARG 229.A N GLU 225.A O no hydrogen 3.090 N/A LEU 230.A N PHE 226.A O no hydrogen 3.185 N/A LYS 231.A N CYS 227.A O no hydrogen 3.091 N/A GLU 232.A N ARG 228.A O no hydrogen 2.710 N/A GLY 233.A N ARG 229.A O no hydrogen 2.901 N/A THR 234.A N ARG 229.A O no hydrogen 2.873 N/A ARG 235.A NE TRP 254.A O no hydrogen 2.987 N/A ARG 235.A NH1 TRP 254.A O no hydrogen 3.173 N/A ARG 235.A NH2 LEU 230.A O no hydrogen 3.093 N/A ARG 235.A NH2 THR 234.A O no hydrogen 2.557 N/A TYR 241.A N PHE 210.A O no hydrogen 2.913 N/A THR 242.A N PRO 239.A O no hydrogen 3.345 N/A THR 242.A OG1 THR 243.A O no hydrogen 3.143 N/A MET 246.A N THR 243.A OG1 no hydrogen 3.275 N/A TYR 247.A N THR 243.A O no hydrogen 3.207 N/A TYR 247.A OH MET 236.A O no hydrogen 2.801 N/A GLN 248.A N PRO 244.A O no hydrogen 3.262 N/A GLN 248.A N GLU 245.A O no hydrogen 3.110 N/A GLN 248.A NE2 GLN 248.A O no hydrogen 3.312 N/A GLN 248.A NE2 ASP 252.A OD1 no hydrogen 3.057 N/A THR 249.A N GLU 245.A O no hydrogen 2.948 N/A THR 249.A OG1 GLU 245.A O no hydrogen 3.421 N/A MET 250.A N MET 246.A O no hydrogen 2.992 N/A LEU 251.A N TYR 247.A O no hydrogen 3.106 N/A ASP 252.A N GLN 248.A O no hydrogen 2.803 N/A CYS 253.A N THR 249.A O no hydrogen 2.961 N/A CYS 253.A SG THR 249.A O no hydrogen 3.214 N/A TRP 254.A N MET 250.A O no hydrogen 2.954 N/A TRP 254.A N LEU 251.A O no hydrogen 2.973 N/A HIS 255.A N ASP 252.A O no hydrogen 3.138 N/A GLU 257.A N HIS 255.A ND1 no hydrogen 2.862 N/A GLN 260.A N GLU 257.A O no hydrogen 2.857 N/A GLN 260.A NE2 SER 259.A OG no hydrogen 3.343 N/A ARG 261.A N PRO 258.A O no hydrogen 2.953 N/A ARG 261.A NE HIS 255.A O no hydrogen 2.847 N/A ARG 261.A NH1 GLU 186.A OE2 no hydrogen 2.751 N/A ARG 261.A NH1 GLN 196.A O no hydrogen 3.019 N/A ARG 261.A NH2 GLU 186.A OE1 no hydrogen 2.905 N/A ARG 261.A NH2 GLU 186.A OE2 no hydrogen 3.380 N/A ARG 261.A NH2 HIS 255.A O no hydrogen 3.349 N/A THR 263.A N GLU 266.A OE1 no hydrogen 2.483 N/A THR 263.A OG1 GLU 266.A OE1 no hydrogen 3.199 N/A SER 265.A OG GLU 145.A OE2 no hydrogen 2.620 N/A GLU 266.A N THR 263.A OG1 no hydrogen 3.072 N/A LEU 267.A N THR 263.A O no hydrogen 2.948 N/A VAL 268.A N PHE 264.A O no hydrogen 2.816 N/A GLU 269.A N SER 265.A O no hydrogen 3.177 N/A HIS 270.A N GLU 266.A O no hydrogen 2.874 N/A LEU 271.A N LEU 267.A O no hydrogen 2.887 N/A GLY 272.A N VAL 268.A O no hydrogen 2.916 N/A ASN 273.A N GLU 269.A O no hydrogen 2.982 N/A LEU 274.A N HIS 270.A O no hydrogen 2.921 N/A LEU 275.A N LEU 271.A O no hydrogen 2.923 N/A GLN 276.A N GLY 272.A O no hydrogen 3.122 N/A ALA 277.A N ASN 273.A O no hydrogen 2.884 N/A ASN 278.A N LEU 274.A O no hydrogen 2.882 N/A ALA 279.A N LEU 275.A O no hydrogen 3.059 N/A GLN 280.A N GLN 276.A O no hydrogen 2.931 N/A GLN 281.A N ALA 277.A O no hydrogen 3.058 N/A ASP 282.A N ASN 278.A O no hydrogen 2.821 N/A ARG 283.A N ALA 279.A O no hydrogen 2.827 N/A HIS 284.A N GLN 280.A O no hydrogen 3.105 N/A HIS 284.A ND1 GLN 280.A O no hydrogen 2.951 N/A HIS 285.A N GLN 281.A O no hydrogen 2.937 N/A HIS 286.A N ASP 282.A O no hydrogen 2.898 N/A HIS 287.A N ARG 283.A O no hydrogen 2.918 N/A HIS 288.A N HIS 284.A O no hydrogen 3.010 N/A HIS 288.A ND1 HIS 284.A O no hydrogen 2.811 N/A HIS 289.A ND1 HIS 285.A O no hydrogen 2.883 N/A