Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kej_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 4.A OD1 no hydrogen 3.014 N/A ALA 1.A N ASP 29.A O no hydrogen 2.705 N/A LYS 2.A NZ TYR 30.A O no hydrogen 3.150 N/A ASP 4.A N ASP 4.A OD1 no hydrogen 2.418 N/A VAL 5.A N ALA 1.A O no hydrogen 3.155 N/A LYS 6.A N ILE 58.A O no hydrogen 2.900 N/A LEU 7.A N GLU 31.A O no hydrogen 2.615 N/A LEU 8.A N VAL 56.A O no hydrogen 2.828 N/A GLY 9.A N LEU 33.A O no hydrogen 2.868 N/A TRP 11.A N GLU 34.A OE1 no hydrogen 2.914 N/A SER 13.A N ALA 10.A O no hydrogen 2.956 N/A VAL 16.A N SER 13.A OG no hydrogen 3.294 N/A MET 17.A N SER 13.A O no hydrogen 2.963 N/A ARG 18.A N PRO 14.A O no hydrogen 3.142 N/A ARG 18.A NH1 ASP 103.A OD1 no hydrogen 2.694 N/A ARG 18.A NH1 ASP 103.A OD2 no hydrogen 3.514 N/A ARG 18.A NH1 ALA 161.A O no hydrogen 2.961 N/A ARG 18.A NH2 SER 67.A OG no hydrogen 3.109 N/A ARG 18.A NH2 ASP 103.A OD1 no hydrogen 3.378 N/A ARG 18.A NH2 ASP 103.A OD2 no hydrogen 2.782 N/A ALA 19.A N VAL 16.A O no hydrogen 2.970 N/A ARG 20.A N VAL 16.A O no hydrogen 3.229 N/A ARG 20.A NE TYR 30.A OH no hydrogen 2.888 N/A ILE 21.A N MET 17.A O no hydrogen 3.051 N/A THR 22.A N ARG 18.A O no hydrogen 3.301 N/A THR 22.A OG1 ARG 18.A O no hydrogen 2.567 N/A LEU 23.A N ALA 19.A O no hydrogen 2.959 N/A ASN 24.A N ARG 20.A O no hydrogen 2.967 N/A ASN 24.A ND2 ALA 201.A O no hydrogen 2.736 N/A VAL 25.A N ILE 21.A O no hydrogen 3.006 N/A LYS 26.A N THR 22.A O no hydrogen 3.263 N/A LYS 26.A NZ ASP 75.A OD1 no hydrogen 2.978 N/A LYS 26.A NZ TRP 78.A O no hydrogen 2.589 N/A LYS 26.A NZ PRO 82.A O no hydrogen 3.072 N/A SER 27.A N ASN 24.A O no hydrogen 2.740 N/A VAL 28.A N LEU 23.A O no hydrogen 2.916 N/A GLU 31.A N VAL 5.A O no hydrogen 2.815 N/A LEU 33.A N LEU 7.A O no hydrogen 2.821 N/A GLU 35.A N GLY 9.A O no hydrogen 2.717 N/A LYS 40.A NZ SER 39.A O no hydrogen 3.426 N/A SER 41.A N GLU 35.A OE2 no hydrogen 2.914 N/A SER 41.A OG GLU 35.A OE1 no hydrogen 2.804 N/A LEU 44.A N SER 41.A OG no hydrogen 2.934 N/A LEU 45.A N SER 41.A O no hydrogen 3.098 N/A LYS 46.A N ASP 42.A O no hydrogen 2.968 N/A SER 47.A N LEU 43.A O no hydrogen 2.843 N/A SER 47.A OG LEU 43.A O no hydrogen 2.527 N/A ASN 48.A N LEU 44.A O no hydrogen 2.741 N/A ASN 48.A ND2 LYS 53.A O no hydrogen 2.991 N/A HIS 51.A N ASN 48.A OD1 no hydrogen 3.274 N/A LYS 52.A N ASN 48.A O no hydrogen 2.767 N/A VAL 56.A N LEU 8.A O no hydrogen 3.339 N/A LEU 57.A N ILE 64.A O no hydrogen 2.763 N/A ILE 58.A N LYS 6.A O no hydrogen 2.784 N/A HIS 59.A N LYS 62.A O no hydrogen 2.910 N/A HIS 59.A ND1 TYR 73.A OH no hydrogen 2.452 N/A ASN 60.A N ASP 4.A O no hydrogen 2.832 N/A LYS 62.A N HIS 59.A O no hydrogen 2.885 N/A ILE 64.A N LEU 57.A O no hydrogen 2.635 N/A CYS 65.A SG SER 47.A O no hydrogen 3.756 N/A ILE 70.A N GLU 66.A O no hydrogen 2.866 N/A VAL 71.A N SER 67.A O no hydrogen 2.900 N/A HIS 72.A N LEU 68.A O no hydrogen 3.087 N/A HIS 72.A ND1 LEU 68.A O no hydrogen 2.822 N/A TYR 73.A N ILE 69.A O no hydrogen 2.999 N/A TYR 73.A OH HIS 59.A ND1 no hydrogen 2.452 N/A ILE 74.A N ILE 70.A O no hydrogen 3.015 N/A ASP 75.A N VAL 71.A O no hydrogen 3.007 N/A GLU 76.A N HIS 72.A O no hydrogen 2.692 N/A PHE 77.A N TYR 73.A O no hydrogen 2.684 N/A TRP 78.A N ILE 74.A O no hydrogen 2.987 N/A GLY 81.A N TRP 78.A O no hydrogen 3.298 N/A ILE 84.A N ASP 75.A OD1 no hydrogen 2.904 N/A LEU 85.A N ASP 75.A OD2 no hydrogen 2.864 N/A ASP 91.A N ASP 88.A OD2 no hydrogen 2.948 N/A ARG 92.A N ASP 88.A O no hydrogen 2.841 N/A ARG 92.A NH2 PRO 86.A O no hydrogen 3.152 N/A ARG 92.A NH2 SER 87.A O no hydrogen 2.578 N/A ALA 93.A N PRO 89.A O no hydrogen 3.011 N/A ILE 94.A N TYR 90.A O no hydrogen 3.096 N/A ALA 95.A N ASP 91.A O no hydrogen 3.060 N/A ARG 96.A N ARG 92.A O no hydrogen 2.895 N/A ARG 96.A NE HIS 72.A NE2 no hydrogen 2.885 N/A ARG 96.A NH1 HIS 72.A NE2 no hydrogen 3.363 N/A PHE 97.A N ALA 93.A O no hydrogen 2.917 N/A TRP 98.A N ILE 94.A O no hydrogen 3.033 N/A ALA 99.A N ALA 95.A O no hydrogen 3.073 N/A ALA 100.A N ARG 96.A O no hydrogen 2.882 N/A TYR 101.A N PHE 97.A O no hydrogen 2.955 N/A LEU 102.A N TRP 98.A O no hydrogen 3.016 N/A ASP 103.A N ALA 99.A O no hydrogen 3.210 N/A GLU 104.A N ALA 100.A O no hydrogen 2.869 N/A LYS 105.A N TYR 101.A O no hydrogen 2.761 N/A TRP 106.A N TYR 101.A O no hydrogen 3.182 N/A TYR 107.A N LEU 102.A O no hydrogen 2.937 N/A SER 109.A N LYS 105.A O no hydrogen 3.304 N/A SER 109.A OG TRP 106.A O no hydrogen 2.783 N/A LEU 110.A N TRP 106.A O no hydrogen 2.897 N/A LYS 111.A N TYR 107.A O no hydrogen 3.056 N/A GLY 112.A N PRO 108.A O no hydrogen 3.055 N/A ILE 113.A N LEU 110.A O no hydrogen 3.218 N/A LYS 122.A N GLY 118.A O no hydrogen 3.328 N/A ALA 124.A N GLU 120.A O no hydrogen 2.891 N/A ALA 125.A N ALA 121.A O no hydrogen 3.212 N/A VAL 126.A N LYS 122.A O no hydrogen 2.898 N/A ASP 127.A N LYS 123.A O no hydrogen 2.920 N/A GLN 128.A N ALA 124.A O no hydrogen 3.194 N/A GLN 128.A N ALA 125.A O no hydrogen 3.212 N/A VAL 129.A N ALA 125.A O no hydrogen 3.223 N/A GLY 130.A N VAL 126.A O no hydrogen 3.133 N/A GLU 131.A N ASP 127.A O no hydrogen 3.092 N/A SER 132.A N GLN 128.A O no hydrogen 2.965 N/A SER 132.A OG GLN 128.A O no hydrogen 3.083 N/A SER 132.A OG VAL 129.A O no hydrogen 2.893 N/A LEU 133.A N VAL 129.A O no hydrogen 2.770 N/A ALA 134.A N GLY 130.A O no hydrogen 2.962 N/A LEU 135.A N GLU 131.A O no hydrogen 3.101 N/A ILE 136.A N SER 132.A O no hydrogen 2.926 N/A GLU 137.A N LEU 133.A O no hydrogen 2.767 N/A ASP 138.A N ALA 134.A O no hydrogen 3.093 N/A THR 139.A N LEU 135.A O no hydrogen 2.914 N/A THR 139.A OG1 LEU 135.A O no hydrogen 2.701 N/A TYR 140.A N ILE 136.A O no hydrogen 2.889 N/A TYR 140.A OH PRO 148.A O no hydrogen 2.694 N/A VAL 141.A N GLU 137.A O no hydrogen 3.070 N/A LYS 142.A N ASP 138.A O no hydrogen 2.942 N/A LYS 142.A NZ ASP 138.A OD1 no hydrogen 3.266 N/A LYS 142.A NZ ASP 138.A OD2 no hydrogen 3.174 N/A LEU 143.A N THR 139.A O no hydrogen 2.790 N/A SER 144.A N TYR 140.A O no hydrogen 2.767 N/A SER 144.A OG TYR 140.A O no hydrogen 2.483 N/A LYS 145.A N VAL 141.A O no hydrogen 3.326 N/A LYS 147.A N SER 144.A O no hydrogen 2.921 N/A PHE 149.A N GLY 152.A O no hydrogen 2.995 N/A PHE 150.A N ASP 159.A OD1 no hydrogen 2.890 N/A GLY 151.A N ASP 159.A OD2 no hydrogen 2.954 N/A GLY 152.A N PHE 149.A O no hydrogen 2.782 N/A GLY 156.A N ASP 159.A OD2 no hydrogen 2.672 N/A TYR 157.A N ILE 84.A O no hydrogen 2.908 N/A ILE 160.A N GLY 156.A O no hydrogen 2.905 N/A ALA 161.A N TYR 157.A O no hydrogen 2.700 N/A PHE 162.A N LEU 158.A O no hydrogen 2.922 N/A GLY 163.A N ASP 159.A O no hydrogen 2.621 N/A CYS 164.A N ILE 160.A O no hydrogen 3.185 N/A CYS 164.A SG ALA 161.A O no hydrogen 3.300 N/A PHE 165.A N PHE 162.A O no hydrogen 3.070 N/A LEU 166.A N GLY 163.A O no hydrogen 3.057 N/A TRP 168.A NE1 PRO 12.A O no hydrogen 2.878 N/A LEU 169.A N PHE 165.A O no hydrogen 2.891 N/A ARG 170.A N LEU 166.A O no hydrogen 2.927 N/A VAL 171.A N GLY 167.A O no hydrogen 3.014 N/A THR 172.A N TRP 168.A O no hydrogen 2.811 N/A THR 172.A OG1 TRP 168.A O no hydrogen 2.592 N/A GLU 173.A N LEU 169.A O no hydrogen 2.900 N/A LYS 174.A N ARG 170.A O no hydrogen 3.270 N/A THR 175.A N VAL 171.A O no hydrogen 3.121 N/A THR 175.A OG1 VAL 171.A O no hydrogen 3.489 N/A THR 175.A OG1 THR 172.A O no hydrogen 3.479 N/A SER 176.A N THR 172.A O no hydrogen 3.013 N/A SER 176.A OG THR 172.A O no hydrogen 2.622 N/A SER 176.A OG GLU 173.A O no hydrogen 3.371 N/A GLY 177.A N LYS 174.A O no hydrogen 3.377 N/A VAL 178.A N GLU 173.A O no hydrogen 3.125 N/A LYS 179.A NZ GLU 173.A OE1 no hydrogen 2.830 N/A PHE 180.A N GLU 173.A OE2 no hydrogen 2.783 N/A LEU 181.A N GLU 173.A OE2 no hydrogen 3.128 N/A LYS 185.A N ASN 182.A OD1 no hydrogen 2.780 N/A LYS 185.A NZ LYS 179.A O no hydrogen 2.692 N/A THR 186.A N ASN 182.A O no hydrogen 2.866 N/A THR 186.A OG1 ASN 182.A O no hydrogen 3.380 N/A THR 186.A OG1 THR 186.A O no hydrogen 2.734 N/A HIS 188.A N GLU 137.A OE2 no hydrogen 3.008 N/A LEU 189.A N GLU 137.A OE1 no hydrogen 2.809 N/A ALA 190.A N THR 186.A O no hydrogen 2.941 N/A LYS 191.A N PRO 187.A O no hydrogen 3.201 N/A LYS 191.A NZ HIS 188.A O no hydrogen 3.515 N/A TRP 192.A N HIS 188.A O no hydrogen 2.917 N/A TRP 192.A NE1 ASP 159.A OD1 no hydrogen 2.754 N/A ALA 193.A N LEU 189.A O no hydrogen 2.675 N/A VAL 194.A N ALA 190.A O no hydrogen 3.350 N/A ARG 195.A N LYS 191.A O no hydrogen 3.330 N/A PHE 196.A N TRP 192.A O no hydrogen 2.920 N/A CYS 197.A N ALA 193.A O no hydrogen 3.125 N/A CYS 197.A SG ALA 193.A O no hydrogen 3.416 N/A ALA 198.A N VAL 194.A O no hydrogen 3.317 N/A ALA 198.A N ARG 195.A O no hydrogen 3.227 N/A ASP 199.A N ARG 195.A O no hydrogen 3.006 N/A ASP 199.A N PHE 196.A O no hydrogen 3.099 N/A ALA 201.A N ASP 199.A OD1 no hydrogen 3.154 N/A VAL 202.A N ASP 199.A O no hydrogen 3.030 N/A LYS 203.A N ASP 199.A O no hydrogen 2.801 N/A VAL 205.A N VAL 202.A O no hydrogen 2.986 N/A MET 206.A N VAL 202.A O no hydrogen 3.009 N/A LEU 212.A N GLU 208.A O no hydrogen 3.143 N/A ALA 213.A N THR 209.A O no hydrogen 2.967 N/A GLU 214.A N GLU 210.A O no hydrogen 3.275 N/A GLU 214.A N LYS 211.A O no hydrogen 2.950 N/A PHE 215.A N LYS 211.A O no hydrogen 2.951 N/A ALA 216.A N LEU 212.A O no hydrogen 2.866 N/A LYS 217.A N GLU 214.A O no hydrogen 3.081 N/A LEU 218.A N GLU 214.A O no hydrogen 2.867 N/A LEU 219.A N PHE 215.A O no hydrogen 2.864 N/A ALA 220.A N LYS 217.A O no hydrogen 2.737 N/A