Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qbu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ TYR 233.A O no hydrogen 2.825 N/A GLU 3.A N ASP 237.A O no hydrogen 2.642 N/A ILE 4.A N GLY 271.A O no hydrogen 2.984 N/A LEU 5.A N ALA 239.A O no hydrogen 2.862 N/A VAL 6.A N ARG 273.A O no hydrogen 3.222 N/A ALA 7.A N PHE 241.A O no hydrogen 3.207 N/A TYR 8.A OH HIS 259.A ND1 no hydrogen 2.847 N/A GLY 9.A N MET 243.A O no hydrogen 2.826 N/A VAL 10.A N THR 57.A O no hydrogen 2.689 N/A ASP 11.A N ILE 245.A O no hydrogen 2.763 N/A ILE 12.A N PHE 59.A O no hydrogen 3.070 N/A ASP 13.A N ASP 11.A O no hydrogen 2.958 N/A ALA 14.A N ASP 248.A OD1 no hydrogen 3.186 N/A GLY 17.A N ASP 13.A O no hydrogen 2.909 N/A TRP 18.A N VAL 15.A O no hydrogen 3.244 N/A LEU 19.A N VAL 15.A O no hydrogen 3.169 N/A GLY 20.A N ALA 16.A O no hydrogen 2.731 N/A SER 21.A N GLY 17.A O no hydrogen 2.789 N/A SER 21.A OG HIS 89.A ND1 no hydrogen 2.690 N/A SER 21.A OG HIS 89.A O no hydrogen 3.381 N/A SER 21.A OG ASN 91.A OD1 no hydrogen 3.122 N/A TYR 22.A N GLY 17.A O no hydrogen 2.764 N/A TYR 22.A OH ASP 13.A OD2 no hydrogen 2.742 N/A GLY 24.A N TRP 18.A O no hydrogen 2.833 N/A GLU 25.A N TRP 18.A O no hydrogen 3.016 N/A SER 27.A N GLY 24.A O no hydrogen 2.901 N/A ASP 30.A N SER 27.A OG no hydrogen 2.772 N/A ILE 31.A N SER 27.A O no hydrogen 2.934 N/A SER 32.A N PRO 28.A O no hydrogen 2.954 N/A SER 32.A OG ASP 29.A O no hydrogen 2.679 N/A ARG 33.A N ASP 29.A O no hydrogen 3.361 N/A ARG 33.A NH1 PHE 205.A O no hydrogen 2.920 N/A ARG 33.A NH2 ASP 30.A OD2 no hydrogen 2.990 N/A ARG 33.A NH2 PHE 205.A O no hydrogen 2.896 N/A GLY 34.A N ASP 30.A O no hydrogen 3.032 N/A LEU 35.A N ILE 31.A O no hydrogen 3.026 N/A PHE 36.A N SER 32.A O no hydrogen 3.206 N/A ALA 37.A N ARG 33.A O no hydrogen 3.239 N/A GLY 38.A N GLY 34.A O no hydrogen 3.366 N/A GLU 39.A N LEU 35.A O no hydrogen 3.052 N/A VAL 40.A N PHE 36.A O no hydrogen 2.908 N/A GLY 41.A N PHE 36.A O no hydrogen 2.735 N/A ARG 44.A NE ALA 251.A O no hydrogen 3.070 N/A LEU 45.A N GLY 41.A O no hydrogen 3.270 N/A LEU 46.A N ILE 42.A O no hydrogen 3.115 N/A LYS 47.A N PRO 43.A O no hydrogen 2.924 N/A LEU 48.A N ARG 44.A O no hydrogen 3.017 N/A PHE 49.A N LEU 45.A O no hydrogen 2.799 N/A LYS 50.A N LEU 46.A O no hydrogen 3.018 N/A LYS 51.A N LYS 47.A O no hydrogen 3.091 N/A LYS 51.A NZ GLU 260.A OE1 no hydrogen 3.438 N/A TYR 52.A N PHE 49.A O no hydrogen 3.152 N/A TYR 52.A OH GLU 264.A OE1 no hydrogen 2.983 N/A HIS 53.A N LYS 50.A O no hydrogen 3.083 N/A LEU 54.A N PHE 49.A O no hydrogen 2.789 N/A THR 57.A N TYR 8.A O no hydrogen 3.154 N/A THR 57.A OG1 GLU 81.A OE1 no hydrogen 2.870 N/A TRP 58.A N GLU 81.A O no hydrogen 2.751 N/A PHE 59.A N VAL 10.A O no hydrogen 2.736 N/A VAL 60.A N GLY 83.A O no hydrogen 3.019 N/A GLY 62.A N GLY 86.A O no hydrogen 2.720 N/A HIS 63.A N TYR 87.A O no hydrogen 3.032 N/A SER 64.A OG ILE 12.A O no hydrogen 2.791 N/A ILE 65.A N PRO 61.A O no hydrogen 2.927 N/A GLU 66.A N GLY 62.A O no hydrogen 2.886 N/A THR 67.A OG1 HIS 63.A O no hydrogen 2.992 N/A PHE 68.A N SER 64.A O no hydrogen 2.968 N/A GLN 71.A N PHE 68.A O no hydrogen 3.091 N/A MET 72.A N PHE 68.A O no hydrogen 2.964 N/A LYS 73.A N PRO 69.A O no hydrogen 3.140 N/A MET 74.A N GLU 70.A O no hydrogen 3.342 N/A ILE 75.A N GLN 71.A O no hydrogen 3.130 N/A ILE 75.A N MET 72.A O no hydrogen 2.961 N/A VAL 76.A N MET 72.A O no hydrogen 3.015 N/A ASP 77.A N LYS 73.A O no hydrogen 2.954 N/A ALA 78.A N ILE 75.A O no hydrogen 3.095 N/A GLY 79.A N VAL 76.A O no hydrogen 3.014 N/A GLU 81.A N ALA 56.A O no hydrogen 3.150 N/A GLY 83.A N TRP 58.A O no hydrogen 2.754 N/A ALA 84.A N GLY 121.A O no hydrogen 3.021 N/A HIS 85.A ND1 VAL 123.A O no hydrogen 2.869 N/A TYR 87.A N GLU 90.A OE1 no hydrogen 2.832 N/A TYR 87.A OH GLU 66.A OE1 no hydrogen 2.691 N/A SER 88.A N GLU 90.A OE2 no hydrogen 3.131 N/A HIS 89.A ND1 SER 21.A OG no hydrogen 2.690 N/A ALA 94.A N ASN 91.A O no hydrogen 2.794 N/A SER 96.A N GLN 99.A OE1 no hydrogen 2.780 N/A GLU 100.A N SER 96.A O no hydrogen 2.876 N/A GLU 101.A N THR 97.A O no hydrogen 3.013 N/A ASP 102.A N LYS 98.A O no hydrogen 2.838 N/A VAL 103.A N GLN 99.A O no hydrogen 3.026 N/A LEU 104.A N GLU 100.A O no hydrogen 3.170 N/A LEU 105.A N GLU 101.A O no hydrogen 2.806 N/A LYS 106.A N ASP 102.A O no hydrogen 2.975 N/A SER 107.A N VAL 103.A O no hydrogen 2.940 N/A SER 107.A OG GLY 86.A O no hydrogen 3.402 N/A SER 107.A OG VAL 103.A O no hydrogen 2.539 N/A VAL 108.A N LEU 104.A O no hydrogen 3.007 N/A GLU 109.A N LEU 105.A O no hydrogen 3.179 N/A LEU 110.A N LYS 106.A O no hydrogen 3.055 N/A ILE 111.A N SER 107.A O no hydrogen 3.028 N/A LYS 112.A N VAL 108.A O no hydrogen 3.001 N/A ASP 113.A N GLU 109.A O no hydrogen 3.093 N/A LEU 114.A N LEU 110.A O no hydrogen 3.215 N/A THR 115.A N ILE 111.A O no hydrogen 3.056 N/A THR 115.A OG1 ILE 111.A O no hydrogen 2.562 N/A GLY 116.A N LYS 112.A O no hydrogen 2.670 N/A TYR 122.A N TYR 144.A O no hydrogen 3.183 N/A VAL 123.A N ALA 84.A O no hydrogen 3.193 N/A ALA 124.A N SER 147.A OG no hydrogen 2.660 N/A TRP 127.A N ALA 124.A O no hydrogen 2.989 N/A SER 130.A OG GLU 100.A OE1 no hydrogen 3.372 N/A SER 130.A OG PHE 129.A O no hydrogen 2.523 N/A LEU 136.A N ILE 132.A O no hydrogen 2.729 N/A LEU 137.A N THR 133.A O no hydrogen 3.062 N/A LEU 138.A N ASN 134.A O no hydrogen 2.710 N/A LYS 139.A N GLU 135.A O no hydrogen 2.488 N/A LYS 139.A NZ GLU 101.A OE2 no hydrogen 2.525 N/A HIS 140.A N LEU 137.A O no hydrogen 2.905 N/A PHE 142.A N HIS 140.A O no hydrogen 2.129 N/A LYS 143.A N THR 120.A O no hydrogen 2.541 N/A LYS 143.A NZ ASP 282.A OD1 no hydrogen 2.636 N/A TYR 144.A N THR 120.A O no hydrogen 3.281 N/A TYR 144.A OH GLU 81.A OE1 no hydrogen 3.385 N/A TYR 144.A OH GLU 81.A OE2 no hydrogen 2.684 N/A ASP 145.A N VAL 189.A O no hydrogen 2.856 N/A HIS 146.A N TYR 122.A O no hydrogen 3.079 N/A HIS 146.A ND1 ILE 191.A O no hydrogen 2.614 N/A HIS 146.A NE2 THR 244.A OG1 no hydrogen 2.887 N/A SER 147.A N ASP 145.A OD2 no hydrogen 2.887 N/A SER 147.A N GLU 190.A OE1 no hydrogen 3.067 N/A SER 147.A OG ASP 145.A OD1 no hydrogen 2.782 N/A SER 147.A OG ASP 145.A OD2 no hydrogen 3.420 N/A LEU 148.A N GLU 190.A OE1 no hydrogen 3.000 N/A HIS 150.A N TYR 156.A OH no hydrogen 3.009 N/A ASP 152.A N ASN 151.A OD1 no hydrogen 2.430 N/A TYR 156.A N GLU 190.A O no hydrogen 3.241 N/A TYR 157.A OH ASN 288.A O no hydrogen 2.798 N/A VAL 158.A N LEU 188.A O no hydrogen 2.874 N/A ARG 159.A NE ASP 162.A OD1 no hydrogen 3.190 N/A ARG 159.A NH2 ASP 162.A OD2 no hydrogen 2.757 N/A VAL 160.A N VAL 184.A O no hydrogen 2.851 N/A SER 163.A N ILE 181.A O no hydrogen 3.005 N/A SER 170.A N ASP 168.A OD2 no hydrogen 2.906 N/A SER 170.A OG ASP 168.A OD1 no hydrogen 3.032 N/A SER 170.A OG ASP 168.A OD2 no hydrogen 2.442 N/A LEU 171.A N ASP 168.A O no hydrogen 3.106 N/A ASP 175.A N GLU 172.A O no hydrogen 2.678 N/A TRP 176.A N ALA 173.A O no hydrogen 3.128 N/A MET 177.A N ALA 173.A O no hydrogen 2.915 N/A LYS 178.A N TRP 176.A O no hydrogen 2.753 N/A LYS 178.A NZ ASP 175.A O no hydrogen 3.411 N/A ILE 181.A N SER 163.A O no hydrogen 2.714 N/A GLY 183.A N ASP 162.A OD1 no hydrogen 2.502 N/A VAL 184.A N VAL 160.A O no hydrogen 2.863 N/A THR 186.A N VAL 158.A O no hydrogen 2.795 N/A THR 186.A OG1 VAL 158.A O no hydrogen 2.572 N/A LEU 188.A N THR 186.A OG1 no hydrogen 3.251 N/A VAL 189.A N LYS 143.A O no hydrogen 3.217 N/A GLU 190.A N TYR 156.A O no hydrogen 2.647 N/A ILE 191.A N ASP 145.A O no hydrogen 2.814 N/A ALA 193.A N LEU 148.A O no hydrogen 2.872 N/A TYR 196.A N ASN 194.A OD1 no hydrogen 3.287 N/A LEU 197.A N ASN 194.A O no hydrogen 2.877 N/A ASP 199.A N THR 244.A O no hydrogen 3.296 N/A LEU 200.A N ASP 198.A OD1 no hydrogen 3.232 N/A MET 203.A N LEU 200.A O no hydrogen 3.174 N/A MET 204.A N LEU 200.A O no hydrogen 2.908 N/A ILE 206.A N SER 212.A OG no hydrogen 3.062 N/A SER 209.A N ILE 206.A O no hydrogen 3.170 N/A SER 212.A N SER 209.A O no hydrogen 3.039 N/A SER 212.A OG PHE 213.A O no hydrogen 2.928 N/A GLY 214.A N PRO 202.A O no hydrogen 2.954 N/A SER 217.A OG ASP 220.A OD1 no hydrogen 3.247 N/A ASP 220.A N SER 217.A OG no hydrogen 3.249 N/A ILE 221.A N SER 217.A O no hydrogen 3.018 N/A GLY 222.A N PRO 218.A O no hydrogen 2.552 N/A GLN 223.A N ARG 219.A O no hydrogen 3.030 N/A GLN 223.A NE2 GLN 223.A O no hydrogen 3.303 N/A GLN 223.A NE2 ASP 227.A OD1 no hydrogen 2.868 N/A MET 224.A N ASP 220.A O no hydrogen 3.078 N/A TRP 225.A N ILE 221.A O no hydrogen 3.007 N/A ILE 226.A N GLY 222.A O no hydrogen 3.092 N/A ASP 227.A N GLN 223.A O no hydrogen 2.866 N/A GLN 228.A N MET 224.A O no hydrogen 3.193 N/A PHE 229.A N TRP 225.A O no hydrogen 3.047 N/A ASP 230.A N ILE 226.A O no hydrogen 2.836 N/A TRP 231.A N ASP 227.A O no hydrogen 3.207 N/A VAL 232.A N GLN 228.A O no hydrogen 3.095 N/A TYR 233.A N PHE 229.A O no hydrogen 2.741 N/A TYR 233.A OH GLU 270.A O no hydrogen 2.555 N/A ARG 234.A N ASP 230.A O no hydrogen 3.022 N/A ARG 234.A NH1 GLU 235.A OE2 no hydrogen 2.589 N/A GLU 235.A N TRP 231.A O no hydrogen 2.824 N/A GLU 235.A N VAL 232.A O no hydrogen 3.297 N/A ALA 239.A N GLU 3.A O no hydrogen 3.404 N/A VAL 240.A N PHE 153.A O no hydrogen 3.028 N/A PHE 241.A N LEU 5.A O no hydrogen 2.786 N/A MET 243.A N ALA 7.A O no hydrogen 2.887 N/A THR 244.A N LEU 197.A O no hydrogen 2.938 N/A THR 244.A OG1 HIS 146.A NE2 no hydrogen 2.887 N/A ILE 245.A N GLY 9.A O no hydrogen 2.953 N/A HIS 246.A N ASP 199.A OD1 no hydrogen 3.018 N/A HIS 246.A ND1 ASP 199.A OD2 no hydrogen 2.707 N/A VAL 249.A N HIS 246.A O no hydrogen 3.069 N/A SER 250.A N HIS 246.A O no hydrogen 2.731 N/A SER 250.A OG ASP 199.A OD1 no hydrogen 2.598 N/A SER 250.A OG HIS 259.A NE2 no hydrogen 2.796 N/A ALA 251.A N PRO 247.A O no hydrogen 3.370 N/A ARG 252.A N VAL 249.A O no hydrogen 3.272 N/A ARG 252.A NE ASP 248.A O no hydrogen 3.112 N/A VAL 255.A N ARG 252.A O no hydrogen 2.787 N/A LEU 256.A N ARG 252.A O no hydrogen 2.951 N/A LEU 257.A N PRO 253.A O no hydrogen 3.173 N/A HIS 259.A N VAL 255.A O no hydrogen 2.991 N/A HIS 259.A N LEU 256.A O no hydrogen 3.241 N/A HIS 259.A ND1 TYR 8.A OH no hydrogen 2.847 N/A HIS 259.A NE2 SER 250.A OG no hydrogen 2.796 N/A GLU 260.A N LEU 256.A O no hydrogen 3.252 N/A LYS 261.A N LEU 257.A O no hydrogen 3.267 N/A LYS 261.A NZ LEU 257.A O no hydrogen 3.403 N/A ILE 262.A N MET 258.A O no hydrogen 3.062 N/A ILE 263.A N HIS 259.A O no hydrogen 2.678 N/A GLU 264.A N GLU 260.A O no hydrogen 3.008 N/A HIS 265.A N LYS 261.A O no hydrogen 3.099 N/A HIS 265.A NE2 ASP 230.A OD2 no hydrogen 2.799 N/A ILE 266.A N ILE 262.A O no hydrogen 2.986 N/A ASN 267.A N ILE 263.A O no hydrogen 2.970 N/A LYS 268.A N HIS 265.A O no hydrogen 3.091 N/A LYS 268.A NZ GLU 264.A O no hydrogen 3.331 N/A HIS 269.A N ILE 266.A O no hydrogen 2.987 N/A HIS 269.A ND1 HIS 265.A O no hydrogen 2.911 N/A ARG 273.A N ILE 4.A O no hydrogen 2.911 N/A TRP 274.A NE1 ASN 267.A OD1 no hydrogen 2.726 N/A VAL 275.A N VAL 6.A O no hydrogen 3.157 N/A THR 276.A N GLU 279.A OE1 no hydrogen 3.322 N/A PHE 277.A N THR 57.A OG1 no hydrogen 2.955 N/A ASN 278.A N GLU 81.A OE1 no hydrogen 3.159 N/A ILE 280.A N THR 276.A O no hydrogen 3.188 N/A ALA 281.A N PHE 277.A O no hydrogen 2.927 N/A ASP 282.A N ASN 278.A O no hydrogen 2.943 N/A ASP 283.A N GLU 279.A O no hydrogen 3.035 N/A PHE 284.A N ILE 280.A O no hydrogen 3.021 N/A LEU 285.A N ALA 281.A O no hydrogen 2.768 N/A LYS 286.A N ASP 282.A O no hydrogen 3.230 N/A LYS 286.A N ASP 283.A O no hydrogen 3.213 N/A ARG 287.A N ASP 283.A O no hydrogen 2.676 N/A ARG 287.A NE ASP 283.A OD1 no hydrogen 3.104 N/A ARG 287.A NH1 GLU 3.A OE2 no hydrogen 2.665 N/A ARG 287.A NH2 GLU 3.A OE1 no hydrogen 3.424 N/A ARG 287.A NH2 ASP 283.A OD1 no hydrogen 2.875 N/A ARG 287.A NH2 ASP 283.A OD2 no hydrogen 2.824 N/A ASN 288.A N PHE 284.A O no hydrogen 3.069 N/A