Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b8q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH GLU 11.A OE1 no hydrogen 2.543 N/A ALA 7.A N TYR 5.A O no hydrogen 2.981 N/A LYS 9.A N ASP 6.A O no hydrogen 2.913 N/A LYS 9.A N ASP 6.A OD1 no hydrogen 2.899 N/A TRP 10.A N ASP 6.A O no hydrogen 3.004 N/A GLU 11.A N ALA 7.A O no hydrogen 3.053 N/A PHE 12.A N ALA 87.A O no hydrogen 2.892 N/A ARG 14.A NE PRO 94.A O no hydrogen 3.098 N/A ARG 14.A NH1 LYS 90.A O no hydrogen 2.873 N/A ARG 14.A NH1 PRO 94.A O no hydrogen 3.090 N/A ARG 14.A NH2 LYS 90.A O no hydrogen 2.945 N/A ARG 14.A NH2 PRO 91.A O no hydrogen 3.385 N/A ARG 16.A N PRO 13.A O no hydrogen 2.885 N/A ARG 16.A NH2 PHE 37.A O no hydrogen 3.236 N/A LEU 17.A N ARG 14.A O no hydrogen 3.025 N/A LYS 18.A N ASP 35.A O no hydrogen 2.862 N/A GLY 20.A N GLU 33.A O no hydrogen 2.681 N/A LEU 23.A N VAL 31.A O no hydrogen 2.890 N/A GLY 24.A N VAL 31.A O no hydrogen 3.324 N/A GLY 26.A N GLY 29.A O no hydrogen 2.946 N/A GLN 30.A N MET 52.A O no hydrogen 2.967 N/A VAL 31.A N GLY 24.A O no hydrogen 2.748 N/A ILE 32.A N VAL 50.A O no hydrogen 2.721 N/A GLU 33.A N LYS 21.A O no hydrogen 3.061 N/A ALA 34.A N VAL 48.A O no hydrogen 2.877 N/A ASP 35.A N LYS 18.A O no hydrogen 3.075 N/A ALA 36.A N ARG 46.A O no hydrogen 2.851 N/A PHE 37.A N ARG 16.A O no hydrogen 2.864 N/A GLY 38.A N THR 44.A O no hydrogen 3.165 N/A THR 42.A OG1 ASP 40.A OD1 no hydrogen 3.463 N/A ARG 46.A N ALA 36.A O no hydrogen 3.038 N/A ARG 46.A NH1 ASP 40.A OD2 no hydrogen 2.760 N/A THR 47.A OG1 ASP 35.A OD1 no hydrogen 3.552 N/A VAL 48.A N ALA 34.A O no hydrogen 2.688 N/A ALA 49.A N THR 99.A O no hydrogen 2.995 N/A VAL 50.A N ILE 32.A O no hydrogen 2.734 N/A LYS 51.A N VAL 97.A O no hydrogen 2.820 N/A LYS 51.A NZ GLU 68.A OE1 no hydrogen 3.554 N/A LYS 51.A NZ GLU 68.A OE2 no hydrogen 2.765 N/A LYS 51.A NZ ASP 179.A O no hydrogen 3.199 N/A MET 52.A N GLN 30.A O no hydrogen 3.155 N/A THR 58.A N GLU 61.A OE1 no hydrogen 3.244 N/A HIS 62.A N THR 58.A O no hydrogen 3.259 N/A ARG 63.A N HIS 59.A O no hydrogen 3.442 N/A ALA 64.A N SER 60.A O no hydrogen 2.828 N/A LEU 65.A N GLU 61.A O no hydrogen 3.101 N/A MET 66.A N HIS 62.A O no hydrogen 2.962 N/A SER 67.A N ARG 63.A O no hydrogen 2.892 N/A SER 67.A OG ARG 63.A O no hydrogen 2.682 N/A GLU 68.A N ALA 64.A O no hydrogen 2.989 N/A LEU 69.A N LEU 65.A O no hydrogen 2.980 N/A LYS 70.A N MET 66.A O no hydrogen 2.945 N/A LYS 70.A NZ GLU 1.A O no hydrogen 3.162 N/A ILE 71.A N SER 67.A O no hydrogen 2.831 N/A LEU 72.A N GLU 68.A O no hydrogen 2.941 N/A ILE 73.A N LEU 69.A O no hydrogen 2.910 N/A HIS 74.A N LYS 70.A O no hydrogen 2.652 N/A ILE 75.A N ILE 71.A O no hydrogen 2.591 N/A GLY 76.A N LEU 72.A O no hydrogen 3.250 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 2.776 N/A ASN 80.A ND2 GLN 144.A OE1 no hydrogen 3.082 N/A ASN 80.A ND2 VAL 175.A O no hydrogen 3.046 N/A VAL 81.A N HIS 78.A O no hydrogen 3.018 N/A VAL 82.A N ILE 177.A O no hydrogen 3.086 N/A ASN 83.A N GLU 100.A OE2 no hydrogen 2.502 N/A ASN 83.A ND2 HIS 78.A O no hydrogen 3.406 N/A ASN 83.A ND2 VAL 81.A O no hydrogen 2.707 N/A LEU 85.A N ILE 98.A O no hydrogen 2.707 N/A GLY 86.A N ILE 98.A O no hydrogen 3.246 N/A CYS 88.A N MET 96.A O no hydrogen 2.937 N/A CYS 88.A SG PHE 12.A O no hydrogen 3.285 N/A THR 89.A N GLU 11.A OE1 no hydrogen 3.238 N/A THR 89.A N GLU 11.A OE2 no hydrogen 2.636 N/A THR 89.A OG1 GLU 11.A OE1 no hydrogen 2.540 N/A THR 89.A OG1 GLU 11.A OE2 no hydrogen 3.566 N/A LYS 90.A N GLU 11.A OE2 no hydrogen 2.889 N/A MET 96.A N CYS 88.A O no hydrogen 3.017 N/A VAL 97.A N LYS 51.A O no hydrogen 2.868 N/A ILE 98.A N GLY 86.A O no hydrogen 3.159 N/A THR 99.A N ALA 49.A O no hydrogen 2.917 N/A THR 99.A OG1 GLU 100.A O no hydrogen 2.859 N/A GLU 100.A N ASN 83.A O no hydrogen 2.889 N/A CYS 102.A SG SER 170.A OG no hydrogen 3.099 N/A LYS 103.A NZ GLU 171.A OE2 no hydrogen 3.197 N/A PHE 104.A N LEU 169.A O no hydrogen 3.080 N/A GLY 105.A N CYS 102.A O no hydrogen 3.231 N/A ASN 106.A ND2 THR 109.A OG1 no hydrogen 2.826 N/A LEU 107.A N ILE 167.A O no hydrogen 2.637 N/A THR 109.A N ASN 106.A OD1 no hydrogen 2.926 N/A TYR 110.A N ASN 106.A O no hydrogen 3.193 N/A LEU 111.A N LEU 107.A O no hydrogen 2.866 N/A ARG 112.A N SER 108.A O no hydrogen 2.994 N/A ARG 112.A NE GLY 216.A O no hydrogen 2.923 N/A SER 113.A N THR 109.A O no hydrogen 3.132 N/A SER 113.A N TYR 110.A O no hydrogen 3.068 N/A SER 113.A OG TYR 110.A O no hydrogen 2.486 N/A LYS 114.A N LEU 111.A O no hydrogen 2.908 N/A LYS 114.A NZ GLU 117.A OE2 no hydrogen 2.565 N/A LYS 114.A NZ ASP 131.A O no hydrogen 2.775 N/A ARG 115.A NE LEU 215.A O no hydrogen 2.988 N/A ARG 115.A NH1 LEU 215.A O no hydrogen 3.354 N/A GLU 117.A N LYS 114.A O no hydrogen 2.863 N/A VAL 119.A N LEU 133.A O no hydrogen 2.997 N/A LYS 122.A NZ TYR 129.A O no hydrogen 2.862 N/A LEU 128.A N PRO 125.A O no hydrogen 3.290 N/A TYR 129.A N GLU 126.A O no hydrogen 3.246 N/A LEU 133.A N GLU 117.A O no hydrogen 2.821 N/A THR 134.A N HIS 137.A ND1 no hydrogen 3.111 N/A THR 134.A OG1 HIS 137.A ND1 no hydrogen 2.682 N/A LEU 135.A N PRO 120.A O no hydrogen 3.077 N/A HIS 137.A ND1 THR 134.A OG1 no hydrogen 2.682 N/A LEU 138.A N THR 134.A O no hydrogen 3.109 N/A ILE 139.A N LEU 135.A O no hydrogen 2.768 N/A CYS 140.A N GLU 136.A O no hydrogen 2.683 N/A TYR 141.A N HIS 137.A O no hydrogen 2.870 N/A SER 142.A N LEU 138.A O no hydrogen 3.453 N/A SER 142.A OG LEU 138.A O no hydrogen 3.183 N/A PHE 143.A N ILE 139.A O no hydrogen 2.931 N/A GLN 144.A N CYS 140.A O no hydrogen 2.829 N/A GLN 144.A NE2 ASN 173.A O no hydrogen 2.825 N/A VAL 145.A N TYR 141.A O no hydrogen 2.915 N/A ALA 146.A N SER 142.A O no hydrogen 3.151 N/A ALA 146.A N PHE 143.A O no hydrogen 3.039 N/A LYS 147.A N PHE 143.A O no hydrogen 2.956 N/A GLY 148.A N GLN 144.A O no hydrogen 2.937 N/A MET 149.A N VAL 145.A O no hydrogen 3.004 N/A GLU 150.A N ALA 146.A O no hydrogen 2.738 N/A PHE 151.A N LYS 147.A O no hydrogen 3.087 N/A LEU 152.A N GLY 148.A O no hydrogen 2.965 N/A ALA 153.A N MET 149.A O no hydrogen 3.048 N/A SER 154.A N GLU 150.A O no hydrogen 2.959 N/A SER 154.A OG GLU 150.A O no hydrogen 3.535 N/A SER 154.A OG PHE 151.A O no hydrogen 2.566 N/A ARG 155.A N LEU 152.A O no hydrogen 2.897 N/A LYS 156.A N ALA 153.A O no hydrogen 2.933 N/A CYS 157.A N LEU 152.A O no hydrogen 3.133 N/A HIS 159.A N ASP 201.A OD2 no hydrogen 2.745 N/A HIS 159.A NE2 CYS 178.A O no hydrogen 2.968 N/A ARG 160.A N ASP 201.A OD1 no hydrogen 3.095 N/A ASP 161.A N HIS 159.A ND1 no hydrogen 2.897 N/A ALA 164.A N GLU 211.A OE1 no hydrogen 3.023 N/A ARG 165.A NH1 ASP 161.A OD1 no hydrogen 3.145 N/A ARG 165.A NH2 ASP 161.A OD1 no hydrogen 3.236 N/A ARG 165.A NH2 ASP 161.A OD2 no hydrogen 2.666 N/A ASN 166.A N ALA 163.A O no hydrogen 2.764 N/A ASN 166.A ND2 ASP 161.A O no hydrogen 2.852 N/A ASN 166.A ND2 ASP 161.A OD2 no hydrogen 2.764 N/A ILE 167.A N ALA 164.A O no hydrogen 2.884 N/A LEU 168.A N LYS 176.A O no hydrogen 2.939 N/A LEU 169.A N GLY 105.A O no hydrogen 2.825 N/A SER 170.A N VAL 174.A O no hydrogen 3.080 N/A ASN 173.A ND2 TYR 141.A OH no hydrogen 2.768 N/A VAL 174.A N GLU 171.A O no hydrogen 3.250 N/A VAL 175.A N GLN 144.A OE1 no hydrogen 2.953 N/A LYS 176.A N LEU 168.A O no hydrogen 2.820 N/A LYS 176.A NZ LEU 79.A O no hydrogen 3.010 N/A LYS 176.A NZ GLU 100.A OE1 no hydrogen 3.348 N/A LYS 176.A NZ GLU 100.A OE2 no hydrogen 3.377 N/A ILE 177.A N ASN 80.A O no hydrogen 2.813 N/A CYS 178.A N ASN 166.A O no hydrogen 2.805 N/A CYS 178.A SG ASN 166.A O no hydrogen 3.439 N/A PHE 180.A N ASN 166.A OD1 no hydrogen 3.139 N/A LYS 184.A NZ SER 218.A OG no hydrogen 2.825 N/A LYS 184.A NZ PRO 219.A O no hydrogen 3.287 N/A TRP 185.A N PRO 182.A O no hydrogen 2.911 N/A TRP 185.A NE1 GLU 211.A OE1 no hydrogen 2.901 N/A MET 186.A N LEU 183.A O no hydrogen 3.203 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.904 N/A THR 190.A OG1 VAL 195.A O no hydrogen 2.942 N/A ILE 191.A N ALA 187.A O no hydrogen 2.946 N/A PHE 192.A N PRO 188.A O no hydrogen 2.886 N/A ASP 193.A N GLU 189.A O no hydrogen 2.839 N/A ARG 194.A N THR 190.A O no hydrogen 3.115 N/A THR 197.A N SER 200.A OG no hydrogen 2.924 N/A THR 197.A OG1 GLN 199.A OE1 no hydrogen 3.176 N/A GLN 199.A N GLN 199.A OE1 no hydrogen 2.940 N/A SER 200.A N THR 197.A O no hydrogen 3.011 N/A SER 200.A N THR 197.A OG1 no hydrogen 3.269 N/A SER 200.A OG THR 197.A O no hydrogen 2.513 N/A ASP 201.A N ILE 198.A O no hydrogen 2.901 N/A VAL 202.A N ILE 198.A O no hydrogen 3.228 N/A TRP 203.A N GLN 199.A O no hydrogen 3.215 N/A SER 204.A N SER 200.A O no hydrogen 3.302 N/A SER 204.A OG TRP 185.A O no hydrogen 2.743 N/A SER 204.A OG SER 200.A O no hydrogen 3.193 N/A PHE 205.A N ASP 201.A O no hydrogen 2.795 N/A GLY 206.A N VAL 202.A O no hydrogen 3.041 N/A VAL 207.A N TRP 203.A O no hydrogen 3.147 N/A LEU 208.A N SER 204.A O no hydrogen 2.771 N/A LEU 209.A N PHE 205.A O no hydrogen 2.836 N/A TRP 210.A N GLY 206.A O no hydrogen 3.255 N/A TRP 210.A NE1 ARG 240.A O no hydrogen 2.992 N/A GLU 211.A N VAL 207.A O no hydrogen 3.014 N/A ILE 212.A N LEU 208.A O no hydrogen 2.849 N/A PHE 213.A N LEU 209.A O no hydrogen 2.889 N/A SER 214.A N GLU 211.A O no hydrogen 3.182 N/A SER 214.A OG TRP 210.A O no hydrogen 2.982 N/A SER 214.A OG GLU 211.A O no hydrogen 2.930 N/A LEU 215.A N ILE 212.A O no hydrogen 3.044 N/A GLY 216.A N GLU 211.A O no hydrogen 2.866 N/A ALA 217.A N SER 214.A OG no hydrogen 3.035 N/A PHE 229.A N ASP 226.A OD2 no hydrogen 2.949 N/A CYS 230.A N ASP 226.A O no hydrogen 3.091 N/A CYS 230.A SG ASP 226.A O no hydrogen 3.760 N/A ARG 231.A N GLU 227.A O no hydrogen 2.674 N/A ARG 231.A NE GLU 235.A OE2 no hydrogen 3.334 N/A ARG 232.A N GLU 228.A O no hydrogen 2.741 N/A LEU 233.A N PHE 229.A O no hydrogen 2.953 N/A LYS 234.A N CYS 230.A O no hydrogen 2.928 N/A GLU 235.A N ARG 231.A O no hydrogen 2.919 N/A GLY 236.A N LEU 233.A O no hydrogen 3.273 N/A THR 237.A N ARG 232.A O no hydrogen 3.044 N/A ARG 238.A NE TRP 257.A O no hydrogen 3.138 N/A ARG 238.A NH2 LEU 233.A O no hydrogen 3.131 N/A ARG 238.A NH2 THR 237.A O no hydrogen 2.560 N/A TYR 244.A N PHE 213.A O no hydrogen 2.883 N/A THR 245.A N PRO 242.A O no hydrogen 3.028 N/A THR 245.A OG1 THR 246.A O no hydrogen 3.039 N/A MET 249.A N THR 246.A OG1 no hydrogen 3.216 N/A TYR 250.A N THR 246.A O no hydrogen 3.101 N/A TYR 250.A OH MET 239.A O no hydrogen 2.691 N/A GLN 251.A N PRO 247.A O no hydrogen 3.315 N/A GLN 251.A NE2 ASP 255.A OD1 no hydrogen 3.413 N/A THR 252.A N GLU 248.A O no hydrogen 3.150 N/A THR 252.A OG1 GLU 248.A O no hydrogen 3.420 N/A MET 253.A N MET 249.A O no hydrogen 3.059 N/A LEU 254.A N TYR 250.A O no hydrogen 2.986 N/A ASP 255.A N GLN 251.A O no hydrogen 2.746 N/A CYS 256.A N THR 252.A O no hydrogen 2.824 N/A CYS 256.A SG THR 252.A O no hydrogen 3.116 N/A TRP 257.A N MET 253.A O no hydrogen 3.035 N/A HIS 258.A N ASP 255.A O no hydrogen 3.235 N/A GLU 260.A N HIS 258.A ND1 no hydrogen 2.916 N/A GLN 263.A N GLU 260.A O no hydrogen 2.688 N/A GLN 263.A NE2 SER 262.A OG no hydrogen 3.278 N/A ARG 264.A N PRO 261.A O no hydrogen 3.085 N/A ARG 264.A NE HIS 258.A O no hydrogen 2.813 N/A ARG 264.A NH1 GLU 189.A OE2 no hydrogen 2.678 N/A ARG 264.A NH1 GLN 199.A O no hydrogen 2.959 N/A ARG 264.A NH2 GLU 189.A OE1 no hydrogen 2.711 N/A ARG 264.A NH2 GLU 189.A OE2 no hydrogen 3.343 N/A ARG 264.A NH2 HIS 258.A O no hydrogen 3.251 N/A THR 266.A N GLU 269.A OE1 no hydrogen 2.868 N/A SER 268.A OG GLU 150.A OE2 no hydrogen 3.123 N/A GLU 269.A N THR 266.A OG1 no hydrogen 3.207 N/A LEU 270.A N THR 266.A O no hydrogen 2.810 N/A VAL 271.A N PHE 267.A O no hydrogen 2.756 N/A GLU 272.A N SER 268.A O no hydrogen 3.094 N/A HIS 273.A N GLU 269.A O no hydrogen 2.767 N/A LEU 274.A N LEU 270.A O no hydrogen 2.866 N/A GLY 275.A N VAL 271.A O no hydrogen 2.899 N/A ASN 276.A N GLU 272.A O no hydrogen 3.450 N/A ASN 276.A ND2 GLN 279.A OE1 no hydrogen 3.169 N/A LEU 277.A N HIS 273.A O no hydrogen 2.911 N/A LEU 278.A N LEU 274.A O no hydrogen 2.653 N/A GLN 279.A N GLY 275.A O no hydrogen 2.876 N/A ALA 280.A N ASN 276.A O no hydrogen 2.950 N/A ASN 281.A N LEU 277.A O no hydrogen 3.124 N/A ALA 282.A N LEU 278.A O no hydrogen 3.191 N/A GLN 283.A N GLN 279.A O no hydrogen 2.931 N/A GLN 284.A N ALA 280.A O no hydrogen 2.766 N/A ASP 285.A N ASN 281.A O no hydrogen 2.690 N/A ARG 286.A N ALA 282.A O no hydrogen 2.810 N/A HIS 287.A N GLN 283.A O no hydrogen 3.085 N/A HIS 287.A ND1 GLN 283.A O no hydrogen 3.250 N/A HIS 288.A N GLN 284.A O no hydrogen 2.935 N/A HIS 289.A N ASP 285.A O no hydrogen 2.848 N/A HIS 289.A NE2 GLU 126.A OE1 no hydrogen 3.212 N/A HIS 290.A N ARG 286.A O no hydrogen 2.849 N/A HIS 291.A N HIS 287.A O no hydrogen 3.038 N/A HIS 292.A ND1 HIS 288.A O no hydrogen 2.895 N/A