Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wb4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ HIS 282.A O no hydrogen 2.828 N/A TYR 4.A N HIS 283.A O no hydrogen 2.862 N/A TYR 4.A OH GLU 275.A OE2 no hydrogen 2.599 N/A GLU 5.A N.A TYR 271.A OH no hydrogen 3.009 N/A GLU 5.A N.B TYR 271.A OH no hydrogen 3.022 N/A VAL 8.A N SER 239.A OG no hydrogen 2.984 N/A GLN 9.A NE2 ALA 7.A O no hydrogen 2.882 N/A ARG 11.A N ASP 267.A OD2 no hydrogen 2.948 N/A ARG 11.A NH1 TYR 266.A OH no hydrogen 3.074 N/A ALA 13.A N HIS 263.A ND1 no hydrogen 2.952 N/A TYR 17.A N PRO 14.A O no hydrogen 2.861 N/A TYR 17.A OH GLU 90.A OE2 no hydrogen 1.837 N/A LEU 18.A N ASP 15.A O no hydrogen 3.047 N/A ASN 19.A N SER 16.A O no hydrogen 3.289 N/A CYS 21.A SG HIS 84.A ND1 no hydrogen 3.645 N/A GLY 25.A N ASP 83.A OD1 no hydrogen 2.800 N/A VAL 28.A N VAL 43.A O no hydrogen 2.835 N/A LYS 29.A NZ ASN 69.A OD1 no hydrogen 2.786 N/A GLU 30.A N LEU 41.A O no hydrogen 2.903 N/A THR 31.A OG1 SER 40.A OG no hydrogen 2.850 N/A TYR 32.A N LYS 39.A O no hydrogen 2.876 N/A TYR 32.A OH GLU 114.A OE2 no hydrogen 2.602 N/A THR 33.A OG1.A THR 38.A OG1 no hydrogen 2.950 N/A GLY 34.A N GLY 37.A O no hydrogen 3.063 N/A ILE 35.A N ASN 118.A OD1 no hydrogen 2.911 N/A ASN 36.A ND2 GLU 114.A OE1 no hydrogen 2.907 N/A GLY 37.A N GLY 34.A O no hydrogen 2.936 N/A THR 38.A OG1 THR 33.A OG1.A no hydrogen 2.950 N/A LYS 39.A N TYR 32.A O no hydrogen 2.888 N/A LYS 39.A NZ THR 100.A O no hydrogen 2.811 N/A LYS 39.A NZ ASN 102.A O no hydrogen 2.770 N/A LYS 39.A NZ GLU 114.A OE1 no hydrogen 2.777 N/A LYS 39.A NZ GLU 114.A OE2 no hydrogen 3.448 N/A SER 40.A OG THR 31.A OG1 no hydrogen 2.850 N/A LEU 41.A N GLU 30.A O no hydrogen 3.017 N/A ASN 42.A N THR 98.A O no hydrogen 3.106 N/A ASN 42.A ND2 GLU 68.A O no hydrogen 2.901 N/A ASN 42.A ND2 ASN 69.A OD1 no hydrogen 2.917 N/A VAL 43.A N VAL 28.A O no hydrogen 2.852 N/A TYR 44.A N VAL 96.A O no hydrogen 2.774 N/A TYR 44.A OH ASP 83.A OD1 no hydrogen 2.574 N/A LEU 45.A N ARG 26.A O no hydrogen 2.831 N/A TYR 49.A N PRO 46.A O no hydrogen 2.939 N/A ASP 50.A N TYR 55.A OH no hydrogen 2.957 N/A ASN 52.A N ASP 50.A OD1 no hydrogen 2.904 N/A LYS 53.A N ASP 50.A O no hydrogen 2.909 N/A LYS 54.A NZ GLU 132.A OE1.B no hydrogen 2.990 N/A LYS 54.A NZ GLU 132.A OE2.B no hydrogen 3.006 N/A TYR 55.A N SER 128.A O no hydrogen 3.022 N/A ILE 57.A N HIS 145.A O no hydrogen 3.100 N/A PHE 58.A N ILE 95.A O no hydrogen 2.926 N/A TYR 59.A N GLY 147.A O no hydrogen 2.930 N/A TYR 59.A OH GLU 124.A OE2 no hydrogen 2.657 N/A LEU 60.A N VAL 97.A O no hydrogen 2.821 N/A MET 61.A N GLY 149.A O no hydrogen 2.853 N/A HIS 62.A ND1 GLY 63.A O no hydrogen 2.816 N/A HIS 62.A NE2 THR 100.A OG1 no hydrogen 2.757 N/A GLY 63.A N GLU 66.A OE1 no hydrogen 2.843 N/A GLU 66.A N GLY 63.A O no hydrogen 3.189 N/A ASN 67.A N.A THR 70.A OG1 no hydrogen 3.003 N/A ASN 67.A N.B THR 70.A OG1 no hydrogen 2.984 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.700 N/A ASN 69.A N ASN 67.A OD1.A no hydrogen 2.757 N/A ASN 69.A N ASN 67.A OD1.B no hydrogen 2.974 N/A ASN 69.A ND2 ASN 67.A OD1.A no hydrogen 3.403 N/A THR 70.A N ASN 67.A O.A no hydrogen 3.093 N/A THR 70.A N ASN 67.A O.B no hydrogen 3.086 N/A THR 70.A OG1 ASN 67.A O.A no hydrogen 3.163 N/A THR 70.A OG1 ASN 67.A O.B no hydrogen 3.167 N/A THR 70.A OG1 ASN 67.A OD1.B no hydrogen 3.264 N/A SER 73.A N THR 70.A O no hydrogen 3.015 N/A SER 73.A OG THR 70.A O no hydrogen 2.691 N/A ASP 75.A N SER 73.A OG no hydrogen 3.119 N/A VAL 76.A N SER 73.A O no hydrogen 3.097 N/A LYS 77.A N SER 73.A O no hydrogen 2.889 N/A LYS 77.A NZ.B LEU 18.A O no hydrogen 2.938 N/A LEU 78.A N ILE 71.A O no hydrogen 3.227 N/A GLN 79.A N GLN 79.A OE1 no hydrogen 2.737 N/A GLN 79.A NE2 PHE 72.A O no hydrogen 2.872 N/A ASN 80.A N LYS 77.A O no hydrogen 3.022 N/A ASN 80.A ND2 LEU 18.A O no hydrogen 2.940 N/A LEU 82.A N LEU 78.A O no hydrogen 2.936 N/A ASP 83.A N GLN 79.A O no hydrogen 2.821 N/A HIS 84.A N ASN 80.A O no hydrogen 2.989 N/A HIS 84.A NE2 ASN 19.A O no hydrogen 2.785 N/A ALA 85.A N ILE 81.A O no hydrogen 2.895 N/A ILE 86.A N LEU 82.A O no hydrogen 2.922 N/A MET 87.A N ASP 83.A O no hydrogen 2.946 N/A ASN 88.A N HIS 84.A O no hydrogen 2.982 N/A ASN 88.A ND2.A GLU 90.A OE2 no hydrogen 2.945 N/A ASN 88.A ND2.B TYR 17.A OH no hydrogen 2.773 N/A ASN 88.A ND2.B GLU 90.A OE2 no hydrogen 3.484 N/A GLY 89.A N ILE 86.A O no hydrogen 3.131 N/A GLU 90.A N ALA 85.A O no hydrogen 3.023 N/A LEU 91.A N ALA 85.A O no hydrogen 3.330 N/A ILE 95.A N ASN 56.A O no hydrogen 2.945 N/A VAL 96.A N TYR 44.A O no hydrogen 3.035 N/A VAL 97.A N PHE 58.A O no hydrogen 2.905 N/A THR 98.A N ASN 42.A O no hydrogen 2.869 N/A THR 98.A OG1 GLU 68.A O no hydrogen 3.039 N/A THR 100.A OG1 HIS 62.A NE2 no hydrogen 2.757 N/A ASN 102.A N THR 100.A OG1 no hydrogen 2.987 N/A ASN 102.A ND2 GLU 66.A O no hydrogen 3.037 N/A CYS 106.A N GLY 103.A O no hydrogen 2.842 N/A CYS 106.A SG PHE 101.A O no hydrogen 3.401 N/A CYS 106.A SG THR 107.A O no hydrogen 3.863 N/A CYS 106.A SG ASN 110.A OD1 no hydrogen 3.781 N/A CYS 106.A SG GLU 114.A OE1 no hydrogen 3.464 N/A THR 107.A N ASN 110.A OD1 no hydrogen 2.856 N/A ASN 110.A N THR 107.A OG1 no hydrogen 3.052 N/A ASN 110.A ND2 ASN 105.A O no hydrogen 2.990 N/A GLN 113.A N ASN 110.A O no hydrogen 3.022 N/A GLN 113.A NE2.B GLN 117.A OE1 no hydrogen 2.781 N/A PHE 115.A N PHE 111.A O no hydrogen 2.906 N/A ARG 116.A N TYR 112.A O no hydrogen 2.998 N/A ARG 116.A NH1 ASP 167.A OD1 no hydrogen 2.779 N/A ARG 116.A NH1 ASP 167.A OD2 no hydrogen 3.474 N/A ARG 116.A NH2 ASP 167.A OD2 no hydrogen 2.900 N/A GLN 117.A N GLN 113.A O no hydrogen 3.082 N/A ASN 118.A N GLU 114.A O no hydrogen 2.829 N/A VAL 119.A N GLU 114.A O no hydrogen 3.014 N/A ILE 120.A N PHE 115.A O no hydrogen 3.070 N/A PHE 122.A N ASN 118.A O no hydrogen 3.004 N/A VAL 123.A N VAL 119.A O no hydrogen 2.940 N/A GLU 124.A N ILE 120.A O no hydrogen 2.852 N/A SER 125.A N PRO 121.A O no hydrogen 3.117 N/A SER 125.A OG.A PRO 121.A O no hydrogen 2.945 N/A SER 125.A OG.B PRO 121.A O no hydrogen 2.808 N/A SER 125.A OG.B PHE 122.A O no hydrogen 3.293 N/A LYS 126.A N VAL 123.A O no hydrogen 3.181 N/A LYS 126.A NZ GLU 30.A OE1 no hydrogen 3.045 N/A LYS 126.A NZ GLU 30.A OE2 no hydrogen 2.742 N/A LYS 126.A NZ TYR 127.A OH no hydrogen 3.422 N/A TYR 127.A N VAL 123.A O no hydrogen 2.996 N/A TYR 127.A OH GLU 30.A OE2 no hydrogen 2.583 N/A SER 128.A N TYR 49.A OH no hydrogen 2.937 N/A SER 128.A OG.A PRO 51.A O no hydrogen 3.147 N/A SER 128.A OG.A LYS 53.A O no hydrogen 2.452 N/A SER 128.A OG.B PRO 51.A O no hydrogen 2.492 N/A THR 129.A OG1 GLU 124.A OE1 no hydrogen 2.657 N/A ALA 131.A N THR 129.A OG1 no hydrogen 3.117 N/A SER 133.A OG THR 135.A OG1 no hydrogen 3.266 N/A THR 134.A OG1 SER 125.A OG.A no hydrogen 2.621 N/A THR 135.A OG1 SER 133.A OG no hydrogen 3.266 N/A GLY 138.A N THR 135.A OG1 no hydrogen 3.030 N/A ILE 139.A N THR 135.A O no hydrogen 2.928 N/A ALA 140.A N PRO 136.A O no hydrogen 2.888 N/A ALA 141.A N GLN 137.A O no hydrogen 2.930 N/A SER 142.A N ILE 139.A O no hydrogen 3.088 N/A SER 142.A OG GLY 138.A O no hydrogen 2.923 N/A SER 142.A OG ILE 139.A O no hydrogen 3.046 N/A ARG 143.A N ALA 140.A O no hydrogen 3.293 N/A ARG 143.A NE LEU 166.A O no hydrogen 2.777 N/A ARG 143.A NH1 GLU 205.A O no hydrogen 2.865 N/A ARG 143.A NH2 LEU 166.A O no hydrogen 2.956 N/A ARG 143.A NH2 VAL 169.A O no hydrogen 3.159 N/A ARG 143.A NH2 GLU 205.A O no hydrogen 2.901 N/A HIS 145.A N SER 142.A O no hydrogen 3.001 N/A ARG 146.A N ARG 143.A O no hydrogen 3.285 N/A ARG 146.A NE GLU 124.A OE2 no hydrogen 2.845 N/A ARG 146.A NH1 ILE 139.A O no hydrogen 2.948 N/A ARG 146.A NH1 TYR 168.A O no hydrogen 2.820 N/A ARG 146.A NH2 GLU 124.A OE1 no hydrogen 2.781 N/A ARG 146.A NH2 SER 142.A OG no hydrogen 2.890 N/A GLY 147.A N ILE 57.A O no hydrogen 2.904 N/A PHE 148.A N TYR 171.A O no hydrogen 2.919 N/A GLY 149.A N TYR 59.A O no hydrogen 2.823 N/A GLY 150.A N MET 173.A O no hydrogen 3.185 N/A PHE 151.A N MET 61.A O no hydrogen 3.010 N/A ALA 152.A N LEU 175.A O no hydrogen 2.898 N/A GLY 154.A N PHE 151.A O no hydrogen 2.795 N/A GLY 155.A N ALA 152.A O no hydrogen 2.810 N/A LEU 156.A N ALA 152.A O no hydrogen 3.046 N/A THR 157.A N MET 153.A O no hydrogen 2.958 N/A THR 157.A OG1 ALA 108.A O no hydrogen 2.876 N/A THR 157.A OG1 MET 153.A O no hydrogen 3.203 N/A THR 158.A N GLY 154.A O no hydrogen 3.017 N/A THR 158.A OG1 GLY 154.A O no hydrogen 2.882 N/A TRP 159.A N GLY 155.A O no hydrogen 3.092 N/A TRP 159.A NE1 GLY 177.A O no hydrogen 2.851 N/A TYR 160.A N LEU 156.A O no hydrogen 3.096 N/A TYR 160.A OH TRP 180.A O.B no hydrogen 2.552 N/A VAL 161.A N THR 157.A O no hydrogen 2.827 N/A MET 162.A N THR 158.A O no hydrogen 2.857 N/A VAL 163.A N TRP 159.A O no hydrogen 3.033 N/A ASN 164.A N TYR 160.A O no hydrogen 3.131 N/A ASN 164.A ND2 TYR 160.A O no hydrogen 2.924 N/A CYS 165.A N MET 162.A O no hydrogen 3.492 N/A TYR 168.A N CYS 165.A O no hydrogen 2.969 N/A VAL 169.A N CYS 165.A O no hydrogen 3.009 N/A ALA 170.A N ARG 146.A O no hydrogen 3.217 N/A TYR 171.A N ARG 146.A O no hydrogen 3.445 N/A PHE 172.A N PHE 207.A O no hydrogen 2.901 N/A MET 173.A N PHE 148.A O no hydrogen 2.839 N/A LEU 175.A N GLY 150.A O no hydrogen 2.886 N/A SER 176.A N ALA 211.A O no hydrogen 2.884 N/A SER 176.A OG THR 212.A OG1 no hydrogen 2.770 N/A SER 176.A OG ASP 216.A OD2 no hydrogen 2.631 N/A TYR 179.A N GLN 225.A OE1 no hydrogen 2.891 N/A TYR 179.A OH SER 191.A OG no hydrogen 2.762 N/A TRP 180.A NE1 ASP 178.A OD1 no hydrogen 2.951 N/A ASN 183.A N ASP 187.A OD2 no hydrogen 2.954 N/A ASP 187.A N SER 184.A OG no hydrogen 3.060 N/A LYS 188.A N SER 184.A O no hydrogen 3.211 N/A LYS 188.A NZ ASP 178.A OD2 no hydrogen 2.781 N/A ALA 189.A N PRO 185.A O no hydrogen 2.932 N/A ASN 190.A N GLN 186.A O no hydrogen 2.806 N/A SER 191.A N ASP 187.A O no hydrogen 3.002 N/A SER 191.A OG TYR 179.A OH no hydrogen 2.762 N/A ILE 192.A N LYS 188.A O no hydrogen 3.142 N/A ALA 193.A N ALA 189.A O no hydrogen 2.889 N/A GLU 194.A N ASN 190.A O no hydrogen 2.847 N/A ALA 195.A N SER 191.A O no hydrogen 2.990 N/A ILE 196.A N ILE 192.A O no hydrogen 2.949 N/A ASN 197.A N ALA 193.A O no hydrogen 2.841 N/A ASN 197.A ND2 HIS 234.A NE2 no hydrogen 2.841 N/A ARG 198.A N GLU 194.A O no hydrogen 2.881 N/A SER 199.A N ALA 195.A O no hydrogen 2.982 N/A SER 199.A OG ILE 196.A O no hydrogen 2.661 N/A GLY 200.A N ASN 197.A O no hydrogen 3.147 N/A LEU 201.A N SER 199.A OG no hydrogen 3.056 N/A SER 202.A N GLU 205.A OE1 no hydrogen 2.910 N/A LYS 203.A NZ.A PRO 233.A O no hydrogen 2.909 N/A LYS 203.A NZ.A ASP 236.A OD1 no hydrogen 2.929 N/A LYS 203.A NZ.A ASP 236.A OD2 no hydrogen 3.375 N/A LYS 203.A NZ.B ASP 236.A OD2 no hydrogen 2.814 N/A ARG 204.A N SER 202.A OG no hydrogen 3.149 N/A ARG 204.A NH1 PHE 241.A O no hydrogen 3.070 N/A ARG 204.A NH1 GLY 244.A O no hydrogen 3.088 N/A ARG 204.A NH2 PHE 241.A O no hydrogen 2.795 N/A GLU 205.A N SER 202.A O no hydrogen 3.021 N/A TYR 206.A OH HIS 234.A O no hydrogen 2.687 N/A PHE 207.A N ALA 170.A O no hydrogen 2.880 N/A VAL 208.A N ASN 245.A O no hydrogen 2.904 N/A PHE 209.A N PHE 172.A O no hydrogen 2.912 N/A ALA 210.A N TYR 247.A O no hydrogen 2.866 N/A ALA 211.A N PRO 174.A O no hydrogen 3.099 N/A THR 212.A N LEU 249.A O no hydrogen 2.923 N/A THR 212.A OG1 SER 176.A OG no hydrogen 2.770 N/A SER 214.A N ALA 251.A O no hydrogen 2.839 N/A GLU 215.A N ALA 254.A O no hydrogen 2.928 N/A ASP 216.A N GLY 213.A O no hydrogen 3.060 N/A ALA 218.A N ASP 216.A OD1 no hydrogen 2.886 N/A TYR 219.A N ASP 216.A O no hydrogen 2.909 N/A ALA 220.A N ILE 217.A O no hydrogen 3.230 N/A ASN 221.A N ALA 218.A O no hydrogen 3.155 N/A MET 222.A N ALA 218.A O no hydrogen 2.922 N/A ASN 223.A N TYR 219.A O no hydrogen 2.911 N/A ILE 226.A N MET 222.A O no hydrogen 2.883 N/A GLU 227.A N ASN 223.A O no hydrogen 2.983 N/A ALA 228.A N PRO 224.A O no hydrogen 3.039 N/A MET 229.A N GLN 225.A O no hydrogen 2.929 N/A LYS 230.A N ILE 226.A O no hydrogen 2.888 N/A LYS 230.A NZ GLU 227.A OE2 no hydrogen 2.974 N/A ALA 231.A N ALA 228.A O no hydrogen 3.288 N/A LEU 232.A N MET 229.A O no hydrogen 3.009 N/A PHE 235.A N LEU 232.A O no hydrogen 3.445 N/A ASP 236.A N ASN 245.A OD1 no hydrogen 2.866 N/A THR 238.A N PHE 246.A O no hydrogen 2.830 N/A THR 238.A OG1 SER 6.A O no hydrogen 3.203 N/A SER 239.A N SER 6.A O no hydrogen 3.068 N/A SER 239.A OG GLU 5.A O.A no hydrogen 2.750 N/A SER 239.A OG GLU 5.A O.B no hydrogen 2.706 N/A ASP 240.A N THR 238.A OG1 no hydrogen 2.996 N/A SER 242.A N ASP 240.A OD1 no hydrogen 2.988 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 2.593 N/A SER 242.A OG ASP 240.A OD2 no hydrogen 3.499 N/A LYS 243.A N ASP 240.A O no hydrogen 2.914 N/A GLY 244.A N ASP 240.A O no hydrogen 2.998 N/A ASN 245.A N ASP 236.A O no hydrogen 2.922 N/A ASN 245.A ND2 LYS 203.A O no hydrogen 3.066 N/A ASN 245.A ND2 TYR 206.A O no hydrogen 3.359 N/A ASN 245.A ND2 HIS 234.A O no hydrogen 3.317 N/A TYR 247.A N VAL 208.A O no hydrogen 2.963 N/A TYR 247.A OH VAL 8.A O no hydrogen 2.626 N/A PHE 248.A N TYR 237.A OH no hydrogen 3.008 N/A LEU 249.A N ALA 210.A O no hydrogen 2.912 N/A ALA 251.A N THR 212.A O no hydrogen 2.901 N/A GLY 253.A N SER 214.A OG no hydrogen 2.832 N/A ALA 254.A N ALA 251.A O no hydrogen 3.285 N/A HIS 256.A ND1 ASP 216.A OD1 no hydrogen 2.758 N/A TRP 258.A NE1 GLU 66.A OE1 no hydrogen 2.883 N/A TYR 260.A N TRP 257.A O no hydrogen 2.992 N/A VAL 261.A N TRP 257.A O no hydrogen 3.079 N/A ARG 262.A N TRP 258.A O no hydrogen 3.027 N/A ARG 262.A NE GLY 259.A O no hydrogen 3.003 N/A ARG 262.A NH1 VAL 76.A O no hydrogen 2.896 N/A HIS 263.A N TYR 260.A O no hydrogen 2.934 N/A ILE 265.A N VAL 261.A O no hydrogen 3.352 N/A TYR 266.A N ARG 262.A O no hydrogen 3.112 N/A TYR 266.A OH GLU 90.A OE1 no hydrogen 2.317 N/A ASP 267.A N HIS 263.A O no hydrogen 2.911 N/A ALA 268.A N TYR 264.A O no hydrogen 2.845 N/A LEU 269.A N ILE 265.A O no hydrogen 2.828 N/A TYR 271.A N ALA 268.A O no hydrogen 2.891 N/A PHE 272.A N LEU 269.A O no hydrogen 3.027 N/A HIS 274.A NE2 PRO 270.A O no hydrogen 2.783 N/A GLU 275.A N TYR 171.A OH no hydrogen 3.256 N/A GLU 277.A N HIS 274.A O no hydrogen 3.436 N/A HIS 283.A ND1 PHE 2.A O no hydrogen 2.847 N/A