Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kdy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 82.A O no hydrogen 2.988 N/A PHE 5.A N LEU 3.A O no hydrogen 2.737 N/A THR 9.A N GLU 62.A O no hydrogen 2.999 N/A ARG 11.A N GLU 60.A O no hydrogen 2.882 N/A LEU 12.A N GLU 36.A O no hydrogen 2.843 N/A TYR 13.A N VAL 58.A O no hydrogen 2.851 N/A TYR 13.A OH GLU 60.A OE1 no hydrogen 2.941 N/A SER 14.A N ARG 38.A O no hydrogen 3.007 N/A SER 14.A OG TYR 15.A O no hydrogen 3.495 N/A SER 14.A OG TYR 37.A OH no hydrogen 2.866 N/A TRP 16.A N ASP 213.A OD2 no hydrogen 2.904 N/A ARG 17.A NH1 THR 221.A O no hydrogen 3.400 N/A ARG 17.A NH1 THR 221.A OG1 no hydrogen 2.638 N/A ARG 17.A NH2 THR 221.A O no hydrogen 2.881 N/A SER 18.A N TYR 15.A O no hydrogen 3.062 N/A ALA 21.A N SER 18.A OG no hydrogen 3.051 N/A TRP 22.A N SER 18.A O no hydrogen 2.929 N/A ARG 23.A N SER 19.A O no hydrogen 3.117 N/A ARG 23.A NH1 SER 73.A OG no hydrogen 2.912 N/A ARG 25.A N ALA 21.A O no hydrogen 2.934 N/A ARG 25.A NE ALA 206.A O no hydrogen 2.902 N/A ARG 25.A NH1 SER 14.A OG no hydrogen 2.857 N/A ARG 25.A NH1 TYR 15.A O no hydrogen 3.218 N/A ARG 25.A NH1 TRP 16.A O no hydrogen 3.435 N/A ARG 25.A NH2 TRP 16.A O no hydrogen 2.986 N/A ARG 25.A NH2 ALA 206.A O no hydrogen 2.921 N/A LEU 26.A N TRP 22.A O no hydrogen 2.897 N/A GLY 27.A N ARG 23.A O no hydrogen 3.075 N/A LEU 28.A N VAL 24.A O no hydrogen 2.932 N/A ALA 29.A N ARG 25.A O no hydrogen 2.901 N/A LEU 30.A N LEU 26.A O no hydrogen 2.819 N/A LYS 31.A N GLY 27.A O no hydrogen 3.072 N/A LYS 31.A NZ GLU 81.A OE1 no hydrogen 2.707 N/A LYS 31.A NZ HIS 84.A O no hydrogen 2.740 N/A LYS 31.A NZ PRO 87.A O no hydrogen 2.828 N/A GLY 32.A N ALA 29.A O no hydrogen 3.045 N/A LEU 33.A N LEU 28.A O no hydrogen 2.947 N/A GLU 36.A N LEU 10.A O no hydrogen 2.865 N/A TYR 37.A OH SER 14.A OG no hydrogen 2.866 N/A TYR 37.A OH ASP 213.A OD1 no hydrogen 2.622 N/A ARG 38.A N LEU 12.A O no hydrogen 2.851 N/A ARG 38.A NH1 ALA 39.A O no hydrogen 2.759 N/A VAL 40.A N SER 14.A O no hydrogen 2.847 N/A ALA 44.A N ASP 41.A OD1 no hydrogen 2.950 N/A GLN 45.A N ASP 41.A O no hydrogen 3.173 N/A GLN 45.A NE2 SER 54.A OG no hydrogen 2.845 N/A GLU 46.A N LEU 42.A O no hydrogen 2.952 N/A GLN 47.A N LEU 43.A O no hydrogen 2.953 N/A PHE 48.A N ALA 44.A O no hydrogen 2.904 N/A GLN 49.A N GLN 45.A O no hydrogen 2.897 N/A ALA 50.A N GLU 46.A O no hydrogen 2.995 N/A ALA 51.A N GLN 47.A O no hydrogen 3.023 N/A HIS 52.A N PHE 48.A O no hydrogen 2.891 N/A SER 54.A OG GLN 45.A OE1 no hydrogen 2.796 N/A VAL 58.A N TYR 13.A O no hydrogen 3.475 N/A LEU 59.A N LEU 70.A O no hydrogen 2.885 N/A GLU 60.A N ARG 11.A O no hydrogen 2.773 N/A VAL 61.A N HIS 68.A O no hydrogen 2.815 N/A GLU 62.A N THR 9.A O no hydrogen 2.909 N/A GLU 63.A N ARG 66.A O no hydrogen 2.947 N/A ARG 66.A N GLU 63.A O no hydrogen 2.464 N/A ARG 66.A NE GLU 63.A OE2 no hydrogen 3.224 N/A ARG 66.A NH2 GLU 63.A OE2 no hydrogen 3.093 N/A HIS 68.A N VAL 61.A O no hydrogen 2.835 N/A LEU 70.A N LEU 59.A O no hydrogen 2.842 N/A SER 73.A OG TYR 169.A OH no hydrogen 2.839 N/A ILE 76.A N GLN 72.A O no hydrogen 2.913 N/A LEU 77.A N SER 73.A O no hydrogen 2.842 N/A GLU 78.A N MET 74.A O no hydrogen 2.916 N/A TRP 79.A N ALA 75.A O no hydrogen 2.950 N/A LEU 80.A N ILE 76.A O no hydrogen 2.946 N/A GLU 81.A N LEU 77.A O no hydrogen 2.988 N/A GLU 82.A N GLU 78.A O no hydrogen 3.025 N/A ARG 83.A N TRP 79.A O no hydrogen 2.824 N/A ARG 83.A NH1 ARG 83.A O no hydrogen 2.778 N/A ARG 83.A NH2 PHE 5.A O no hydrogen 2.761 N/A HIS 84.A N LEU 80.A O no hydrogen 2.850 N/A LEU 89.A N GLU 81.A OE1 no hydrogen 2.895 N/A LEU 89.A N GLU 81.A OE2 no hydrogen 3.208 N/A LEU 90.A N GLU 81.A OE2 no hydrogen 3.006 N/A GLY 96.A N ASP 93.A OD2 no hydrogen 2.902 N/A ARG 97.A N ASP 93.A O no hydrogen 3.068 N/A ARG 97.A NH1 PRO 91.A O no hydrogen 2.905 N/A ALA 98.A N LEU 94.A O no hydrogen 3.040 N/A ARG 99.A N TRP 95.A O no hydrogen 2.969 N/A ARG 99.A NE ASP 152.A O no hydrogen 2.933 N/A ARG 99.A NH1 SER 158.A O no hydrogen 2.845 N/A ARG 99.A NH1 HIS 159.A ND1 no hydrogen 2.967 N/A ARG 99.A NH2 ALA 149.A O no hydrogen 3.010 N/A ARG 99.A NH2 ASP 152.A O no hydrogen 2.826 N/A ARG 99.A NH2 SER 158.A O no hydrogen 3.163 N/A VAL 100.A N GLY 96.A O no hydrogen 2.910 N/A ARG 101.A N ARG 97.A O no hydrogen 2.938 N/A ARG 101.A NE GLU 78.A OE2 no hydrogen 2.749 N/A ARG 101.A NH2 GLU 78.A OE1 no hydrogen 2.962 N/A ARG 101.A NH2 GLU 78.A OE2 no hydrogen 3.567 N/A ALA 102.A N ALA 98.A O no hydrogen 2.985 N/A LEU 103.A N ARG 99.A O no hydrogen 3.010 N/A ALA 104.A N VAL 100.A O no hydrogen 2.966 N/A GLU 105.A N ARG 101.A O no hydrogen 2.847 N/A HIS 106.A N ALA 102.A O no hydrogen 2.889 N/A VAL 107.A N ALA 104.A O no hydrogen 3.082 N/A ASN 108.A N ALA 104.A O no hydrogen 2.776 N/A SER 109.A N GLU 105.A O no hydrogen 2.828 N/A SER 109.A OG GLU 105.A O no hydrogen 2.909 N/A GLY 110.A N GLU 105.A O no hydrogen 3.166 N/A THR 111.A N VAL 107.A O no hydrogen 3.341 N/A THR 111.A OG1 HIS 106.A O no hydrogen 2.834 N/A GLN 112.A N VAL 107.A O no hydrogen 2.972 N/A MET 114.A N THR 111.A O no hydrogen 3.113 N/A GLN 115.A N GLN 112.A O no hydrogen 2.934 N/A ASN 116.A N PRO 113.A O no hydrogen 3.457 N/A VAL 119.A N ASN 116.A OD1 no hydrogen 2.932 N/A LEU 120.A N ASN 116.A O no hydrogen 2.972 N/A ARG 121.A N.A ALA 117.A O no hydrogen 2.966 N/A ARG 121.A N.B ALA 117.A O no hydrogen 2.957 N/A ARG 121.A NH1.B GLU 125.A OE2 no hydrogen 2.732 N/A MET 122.A N LEU 118.A O no hydrogen 3.067 N/A LEU 123.A N VAL 119.A O no hydrogen 3.044 N/A ARG 124.A N LEU 120.A O no hydrogen 3.051 N/A ARG 124.A NH2 ASP 131.A OD2 no hydrogen 2.983 N/A GLU 125.A N ARG 121.A O.A no hydrogen 3.088 N/A GLU 125.A N ARG 121.A O.B no hydrogen 2.999 N/A LYS 126.A N MET 122.A O no hydrogen 3.424 N/A VAL 127.A N LEU 123.A O no hydrogen 2.890 N/A TRP 130.A N VAL 127.A O no hydrogen 3.130 N/A ARG 132.A N GLY 129.A O no hydrogen 3.427 N/A TRP 134.A N TRP 130.A O no hydrogen 2.884 N/A TRP 134.A NE1 MET 114.A O no hydrogen 2.814 N/A ALA 135.A N ASP 131.A O no hydrogen 2.873 N/A ARG 136.A N ARG 132.A O no hydrogen 2.996 N/A ARG 136.A NH1 PHE 180.A O no hydrogen 2.779 N/A PHE 137.A N GLU 133.A O no hydrogen 3.010 N/A PHE 138.A N TRP 134.A O no hydrogen 2.981 N/A ILE 139.A N ALA 135.A O no hydrogen 2.849 N/A ALA 140.A N ARG 136.A O no hydrogen 2.956 N/A ARG 141.A N PHE 137.A O no hydrogen 3.073 N/A GLY 142.A N PHE 138.A O no hydrogen 3.108 N/A LEU 143.A N ILE 139.A O no hydrogen 2.862 N/A ALA 144.A N ALA 140.A O no hydrogen 2.860 N/A ALA 145.A N ARG 141.A O no hydrogen 3.249 N/A LEU 146.A N GLY 142.A O no hydrogen 2.986 N/A GLU 147.A N LEU 143.A O no hydrogen 2.775 N/A THR 148.A N ALA 144.A O no hydrogen 3.292 N/A THR 148.A OG1 ALA 144.A O no hydrogen 3.272 N/A ALA 149.A N ALA 145.A O no hydrogen 3.029 N/A VAL 150.A N LEU 146.A O no hydrogen 2.631 N/A ARG 151.A N GLU 147.A O no hydrogen 3.129 N/A ARG 151.A NH1 GLU 147.A OE2 no hydrogen 3.253 N/A ALA 154.A N VAL 150.A O no hydrogen 2.987 N/A GLY 155.A N GLY 160.A O no hydrogen 3.096 N/A ARG 156.A N ASP 161.A OD1 no hydrogen 3.163 N/A PHE 157.A N GLY 160.A O no hydrogen 2.970 N/A SER 158.A N ASP 167.A OD1 no hydrogen 2.960 N/A SER 158.A OG ASP 167.A OD1 no hydrogen 2.697 N/A GLY 160.A N GLY 153.A O no hydrogen 3.119 N/A THR 164.A N ASP 167.A OD2 no hydrogen 2.882 N/A LEU 165.A N LEU 89.A O no hydrogen 2.919 N/A ALA 166.A N THR 164.A OG1 no hydrogen 3.282 N/A ASP 167.A N THR 164.A O no hydrogen 3.043 N/A CYS 168.A N THR 164.A O no hydrogen 3.437 N/A CYS 168.A SG THR 164.A O no hydrogen 3.777 N/A TYR 169.A N LEU 165.A O no hydrogen 3.280 N/A TYR 169.A N ALA 166.A O no hydrogen 3.287 N/A TYR 169.A OH SER 73.A OG no hydrogen 2.839 N/A LEU 170.A N ALA 166.A O no hydrogen 2.949 N/A VAL 171.A N ASP 167.A O no hydrogen 3.106 N/A GLN 173.A NE2 GLN 173.A O no hydrogen 3.201 N/A LEU 174.A N LEU 170.A O no hydrogen 2.975 N/A TYR 175.A N VAL 171.A O no hydrogen 3.181 N/A ASN 176.A N PRO 172.A O no hydrogen 3.111 N/A ALA 177.A N GLN 173.A O no hydrogen 2.959 N/A ARG 178.A N LEU 174.A O no hydrogen 3.051 N/A ARG 178.A NH2 ASP 194.A OD2 no hydrogen 2.467 N/A ARG 179.A N TYR 175.A O no hydrogen 2.984 N/A ARG 179.A NE PRO 222.A O no hydrogen 3.464 N/A ARG 179.A NE PRO 222.A OXT no hydrogen 2.896 N/A ARG 179.A NH2 PRO 222.A O no hydrogen 3.081 N/A PHE 180.A N ASN 176.A O no hydrogen 3.109 N/A GLY 181.A N ARG 178.A O no hydrogen 2.886 N/A LEU 182.A N ALA 177.A O no hydrogen 2.960 N/A GLU 185.A N ASP 183.A OD1 no hydrogen 3.150 N/A TYR 187.A N LEU 184.A O no hydrogen 3.017 N/A THR 189.A N GLU 147.A OE2 no hydrogen 3.050 N/A THR 189.A OG1 GLU 147.A OE2 no hydrogen 2.739 N/A LEU 190.A N GLU 147.A OE1 no hydrogen 3.075 N/A ARG 191.A N TYR 187.A O no hydrogen 2.986 N/A ARG 191.A NE LEU 184.A O no hydrogen 2.832 N/A ARG 191.A NH2 GLU 185.A O no hydrogen 2.930 N/A ARG 192.A N PRO 188.A O no hydrogen 3.034 N/A ARG 192.A NH1 GLY 155.A O no hydrogen 2.776 N/A ARG 192.A NH2 GLY 155.A O no hydrogen 3.156 N/A VAL 193.A N THR 189.A O no hydrogen 2.980 N/A ASP 194.A N LEU 190.A O no hydrogen 2.846 N/A GLU 195.A N ARG 191.A O no hydrogen 2.978 N/A ALA 196.A N ARG 192.A O no hydrogen 3.086 N/A CYS 197.A N VAL 193.A O no hydrogen 2.952 N/A CYS 197.A SG VAL 193.A O no hydrogen 3.440 N/A ALA 198.A N ASP 194.A O no hydrogen 2.931 N/A LEU 200.A N CYS 197.A O no hydrogen 3.027 N/A GLN 204.A N LEU 200.A O no hydrogen 3.068 N/A GLN 204.A NE2 ALA 198.A O no hydrogen 3.023 N/A ALA 205.A N ALA 201.A O no hydrogen 2.931 N/A ALA 206.A N PRO 202.A O no hydrogen 3.304 N/A ALA 206.A N PHE 203.A O no hydrogen 3.132 N/A HIS 207.A N GLN 204.A O no hydrogen 3.403 N/A ASP 209.A N HIS 207.A ND1 no hydrogen 3.070 N/A ARG 210.A N HIS 207.A O no hydrogen 3.038 N/A GLN 211.A N PRO 208.A O no hydrogen 3.161 N/A GLN 211.A NE2 ALA 205.A O no hydrogen 2.954 N/A GLN 211.A NE2 HIS 207.A O no hydrogen 2.844 N/A ASP 213.A N ASP 213.A OD1 no hydrogen 2.736 N/A ALA 214.A N GLN 211.A O no hydrogen 3.078 N/A ARG 219.A N PRO 216.A O no hydrogen 2.970 N/A ARG 220.A N PRO 217.A O no hydrogen 3.442 N/A ARG 220.A NE PRO 215.A O no hydrogen 2.927 N/A ARG 220.A NH2 PRO 215.A O no hydrogen 2.966 N/A