Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kw3_B.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.B N LEU 164.B O no hydrogen 3.044 N/A GLU 3.B N GLU 65.B O no hydrogen 2.908 N/A ARG 4.B N GLU 65.B O no hydrogen 3.435 N/A ARG 4.B NE ASP 140.B O no hydrogen 2.880 N/A ARG 4.B NH1 ASP 67.B OD2 no hydrogen 3.455 N/A ARG 4.B NH2 GLU 65.B OE1 no hydrogen 2.803 N/A ARG 4.B NH2 ASP 67.B OD2 no hydrogen 2.834 N/A GLY 6.B N GLY 63.B O no hydrogen 2.811 N/A TYR 7.B N GLY 63.B O no hydrogen 3.481 N/A TYR 7.B OH GLU 114.B OE1 no hydrogen 2.709 N/A LEU 8.B N ARG 48.B O no hydrogen 3.017 N/A GLY 9.B N TYR 61.B O no hydrogen 2.962 N/A PHE 10.B N ALA 50.B O no hydrogen 2.842 N/A ALA 11.B N ASP 58.B O no hydrogen 2.972 N/A VAL 12.B N GLN 52.B O no hydrogen 2.873 N/A LYS 13.B N ASP 57.B OD1 no hydrogen 3.005 N/A ALA 17.B N ASP 14.B OD2 no hydrogen 3.000 N/A TRP 18.B N ASP 14.B O no hydrogen 3.036 N/A TRP 18.B NE1 SER 254.B OG no hydrogen 2.904 N/A ASP 19.B N VAL 15.B O no hydrogen 2.861 N/A HIS 20.B N PRO 16.B O no hydrogen 2.995 N/A PHE 21.B N ALA 17.B O no hydrogen 2.924 N/A LEU 22.B N TRP 18.B O no hydrogen 2.892 N/A THR 23.B N ASP 19.B O no hydrogen 3.124 N/A THR 23.B OG1 ASP 19.B O no hydrogen 2.703 N/A THR 23.B OG1 HIS 20.B O no hydrogen 3.502 N/A LYS 24.B N HIS 20.B O no hydrogen 2.875 N/A SER 25.B N HIS 20.B O no hydrogen 3.378 N/A VAL 26.B N PHE 21.B O no hydrogen 2.878 N/A LEU 28.B N LEU 22.B O no hydrogen 2.833 N/A MET 29.B N ARG 41.B O no hydrogen 2.940 N/A ALA 31.B N LEU 39.B O no hydrogen 2.848 N/A ALA 34.B N ALA 37.B O no hydrogen 2.888 N/A ALA 37.B N ALA 34.B O no hydrogen 2.961 N/A ALA 38.B N VAL 51.B O no hydrogen 2.829 N/A LEU 39.B N GLY 32.B O no hydrogen 2.945 N/A TYR 40.B N ILE 49.B O no hydrogen 2.875 N/A TYR 40.B OH ASP 19.B OD1 no hydrogen 2.657 N/A ARG 41.B N MET 29.B O no hydrogen 2.811 N/A ARG 41.B NE ASP 43.B O no hydrogen 3.195 N/A ARG 41.B NE ARG 45.B O no hydrogen 3.023 N/A ARG 41.B NH1 ASP 43.B O no hydrogen 2.900 N/A ARG 41.B NH1 GLU 125.B O no hydrogen 2.921 N/A ARG 41.B NH2 GLU 125.B O no hydrogen 2.766 N/A GLN 44.B N GLN 44.B OE1 no hydrogen 2.799 N/A GLN 44.B NE2 GLU 121.B OE1 no hydrogen 3.078 N/A ARG 45.B N ASP 43.B OD2 no hydrogen 3.080 N/A ARG 45.B NE GLU 121.B OE1 no hydrogen 2.948 N/A ARG 45.B NH1 GLU 65.B OE1 no hydrogen 3.443 N/A ARG 45.B NH1 GLU 65.B OE2 no hydrogen 3.536 N/A ARG 45.B NH2 GLU 65.B OE2 no hydrogen 2.828 N/A ALA 46.B N ALA 120.B O no hydrogen 2.957 N/A TRP 47.B NE1 ARG 97.B O no hydrogen 2.845 N/A ARG 48.B N TYR 40.B O no hydrogen 2.813 N/A ARG 48.B NE ASP 43.B OD1 no hydrogen 3.342 N/A ARG 48.B NE ASP 43.B OD2 no hydrogen 3.072 N/A ARG 48.B NH1 ASP 43.B OD1 no hydrogen 2.818 N/A ARG 48.B NH2 GLY 6.B O no hydrogen 2.895 N/A ILE 49.B N.A TYR 40.B O no hydrogen 3.168 N/A ILE 49.B N.B TYR 40.B O no hydrogen 3.167 N/A ALA 50.B N LEU 8.B O no hydrogen 2.908 N/A VAL 51.B N ALA 38.B O no hydrogen 2.848 N/A GLN 52.B N PHE 10.B O no hydrogen 2.903 N/A GLY 54.B N VAL 12.B O no hydrogen 2.925 N/A ASP 58.B N ALA 11.B O no hydrogen 3.028 N/A LEU 59.B N ASP 58.B OD2 no hydrogen 2.792 N/A ALA 60.B N GLY 9.B O no hydrogen 2.666 N/A TYR 61.B N GLY 9.B O no hydrogen 3.233 N/A ALA 62.B N PRO 112.B O no hydrogen 3.158 N/A GLY 63.B N TYR 7.B O no hydrogen 2.825 N/A LEU 64.B N GLU 114.B O no hydrogen 2.737 N/A GLU 65.B N ARG 4.B O no hydrogen 2.832 N/A VAL 66.B N TYR 116.B O no hydrogen 2.931 N/A ALA 71.B N ASP 68.B OD1 no hydrogen 2.793 N/A LEU 72.B N ASP 68.B O no hydrogen 3.180 N/A GLU 73.B N ALA 69.B O no hydrogen 3.071 N/A ARG 74.B N ALA 70.B O no hydrogen 2.941 N/A MET 75.B N ALA 71.B O no hydrogen 3.006 N/A ALA 76.B N LEU 72.B O no hydrogen 2.987 N/A ASP 77.B N GLU 73.B O no hydrogen 2.912 N/A LYS 78.B N ARG 74.B O no hydrogen 2.946 N/A LEU 79.B N MET 75.B O no hydrogen 2.895 N/A ARG 80.B N ALA 76.B O no hydrogen 2.936 N/A ARG 80.B NH2 ASP 77.B OD2 no hydrogen 2.341 N/A GLN 81.B N ASP 77.B O no hydrogen 2.885 N/A GLN 81.B NE2 ASP 77.B O no hydrogen 3.492 N/A ALA 82.B N LYS 78.B O no hydrogen 3.016 N/A GLY 83.B N ARG 80.B O no hydrogen 3.045 N/A VAL 84.B N LEU 79.B O no hydrogen 2.938 N/A THR 87.B N CYS 104.B O no hydrogen 2.933 N/A ARG 88.B NH1 GLU 73.B OE1 no hydrogen 3.360 N/A ARG 88.B NH1 GLU 73.B OE2 no hydrogen 2.492 N/A ARG 88.B NH2 GLU 73.B OE1 no hydrogen 2.978 N/A GLY 89.B N LEU 102.B O no hydrogen 2.884 N/A LEU 93.B N ASP 90.B OD1 no hydrogen 2.951 N/A MET 94.B N ASP 90.B O no hydrogen 2.902 N/A GLN 95.B N GLU 91.B O no hydrogen 2.914 N/A GLN 95.B NE2.A GLU 91.B OE1 no hydrogen 3.432 N/A GLN 96.B N ALA 92.B O no hydrogen 2.906 N/A GLN 96.B NE2 ALA 34.B O no hydrogen 2.833 N/A ARG 97.B N LEU 93.B O no hydrogen 2.925 N/A ARG 97.B NE GLU 114.B OE1 no hydrogen 2.750 N/A ARG 97.B NH1 GLU 114.B OE2 no hydrogen 2.771 N/A LYS 98.B N GLN 95.B O no hydrogen 3.283 N/A VAL 99.B N MET 94.B O no hydrogen 3.077 N/A MET 100.B N TYR 117.B O no hydrogen 3.038 N/A LEU 103.B N ILE 115.B O no hydrogen 2.746 N/A CYS 104.B N THR 87.B O no hydrogen 2.765 N/A LEU 105.B N LEU 113.B O no hydrogen 3.018 N/A ASP 107.B N LEU 111.B O no hydrogen 2.958 N/A PHE 109.B N ASP 107.B OD1 no hydrogen 2.958 N/A GLY 110.B N ASP 107.B O no hydrogen 3.093 N/A LEU 111.B N ASP 107.B OD1 no hydrogen 3.189 N/A LEU 113.B N LEU 105.B O no hydrogen 2.836 N/A GLU 114.B N ALA 62.B O no hydrogen 2.915 N/A ILE 115.B N LEU 103.B O no hydrogen 2.918 N/A TYR 116.B N LEU 64.B O no hydrogen 2.943 N/A TYR 116.B OH GLU 65.B OE2 no hydrogen 2.580 N/A TYR 117.B N GLY 101.B O no hydrogen 3.130 N/A ALA 120.B N LYS 98.B O no hydrogen 3.167 N/A ILE 122.B N GLN 44.B O no hydrogen 2.938 N/A GLU 125.B N ILE 122.B O no hydrogen 2.957 N/A SER 130.B N GLY 27.B O no hydrogen 3.018 N/A SER 130.B OG LEU 28.B O no hydrogen 2.622 N/A SER 134.B N ASP 219.B OD2 no hydrogen 2.786 N/A SER 134.B OG ASP 219.B OD1 no hydrogen 2.726 N/A SER 134.B OG ASP 219.B OD2 no hydrogen 3.505 N/A VAL 137.B N GLN 213.B O no hydrogen 2.772 N/A THR 138.B OG1 ASP 43.B OD1 no hydrogen 2.636 N/A GLN 141.B N THR 138.B O no hydrogen 3.062 N/A GLY 142.B N GLY 139.B O no hydrogen 2.972 N/A ILE 143.B N LEU 5.B O no hydrogen 2.896 N/A HIS 145.B N MET 211.B O no hydrogen 3.384 N/A PHE 146.B N THR 195.B O no hydrogen 3.077 N/A VAL 147.B N HIS 209.B O no hydrogen 3.041 N/A ARG 148.B N ALA 197.B O no hydrogen 2.742 N/A ARG 148.B NE ASP 107.B OD2 no hydrogen 2.782 N/A ARG 148.B NH1 ASP 107.B OD1 no hydrogen 2.964 N/A ARG 148.B NH1 ASP 107.B OD2 no hydrogen 3.360 N/A ARG 148.B NH1 PHE 109.B O no hydrogen 3.236 N/A ARG 148.B NH2 ARG 206.B O no hydrogen 2.960 N/A CYS 149.B N ARG 206.B O no hydrogen 2.929 N/A CYS 149.B SG LYS 205.B O no hydrogen 3.638 N/A VAL 150.B N ALA 199.B O no hydrogen 3.005 N/A LYS 155.B N ASP 152.B OD1 no hydrogen 3.067 N/A ALA 156.B N ASP 152.B O no hydrogen 3.038 N/A MET 157.B N THR 153.B O no hydrogen 2.736 N/A ALA 158.B N ALA 154.B O no hydrogen 2.976 N/A PHE 159.B N LYS 155.B O no hydrogen 3.313 N/A TYR 160.B N ALA 156.B O no hydrogen 2.945 N/A TYR 160.B OH ASP 107.B OD2 no hydrogen 2.664 N/A THR 161.B N MET 157.B O no hydrogen 2.945 N/A THR 161.B OG1 MET 157.B O no hydrogen 2.686 N/A GLU 162.B N ALA 158.B O no hydrogen 2.880 N/A VAL 163.B N PHE 159.B O no hydrogen 3.010 N/A LEU 164.B N PHE 159.B O no hydrogen 3.185 N/A GLY 165.B N THR 161.B O no hydrogen 3.043 N/A PHE 166.B N TYR 160.B O no hydrogen 2.956 N/A VAL 167.B N HIS 188.B O no hydrogen 2.850 N/A SER 169.B N PHE 186.B O no hydrogen 2.729 N/A SER 169.B OG HIS 188.B ND1 no hydrogen 2.797 N/A SER 169.B OG HIS 193.B O no hydrogen 2.709 N/A ILE 171.B N ALA 275.B O no hydrogen 3.136 N/A ILE 172.B N ALA 184.B O no hydrogen 3.008 N/A ASP 173.B N HIS 277.B O no hydrogen 2.942 N/A ILE 174.B N VAL 182.B O no hydrogen 2.802 N/A GLN 175.B NE2 GLY 177.B O no hydrogen 2.608 N/A MET 176.B N THR 180.B O no hydrogen 2.620 N/A GLY 177.B N THR 180.B O no hydrogen 3.158 N/A VAL 182.B N ILE 174.B O no hydrogen 2.780 N/A ALA 184.B N ILE 172.B O no hydrogen 2.835 N/A HIS 185.B N LEU 198.B O no hydrogen 2.855 N/A HIS 185.B ND1 PRO 183.B O no hydrogen 2.854 N/A PHE 186.B N ASP 170.B O no hydrogen 2.966 N/A LEU 187.B N ILE 196.B O no hydrogen 2.853 N/A HIS 188.B N VAL 167.B O no hydrogen 2.827 N/A HIS 188.B ND1 SER 169.B OG no hydrogen 2.797 N/A ASN 190.B ND2 GLU 3.B O no hydrogen 2.877 N/A ARG 192.B N ASN 190.B OD1 no hydrogen 2.866 N/A ARG 192.B NE GLN 141.B O no hydrogen 2.936 N/A ARG 192.B NH1 VAL 137.B O no hydrogen 2.950 N/A ARG 192.B NH1 GLN 141.B O no hydrogen 3.501 N/A ARG 192.B NH1 GLY 142.B O no hydrogen 3.011 N/A ARG 192.B NH2 GLN 213.B OE1 no hydrogen 2.830 N/A HIS 193.B ND1 HIS 194.B ND1 no hydrogen 2.881 N/A HIS 193.B NE2 ASP 170.B OD2 no hydrogen 2.732 N/A HIS 194.B ND1 HIS 193.B ND1 no hydrogen 2.881 N/A THR 195.B N LEU 187.B O no hydrogen 2.826 N/A ILE 196.B N LEU 187.B O no hydrogen 3.342 N/A ALA 197.B N PHE 146.B O no hydrogen 3.048 N/A LEU 198.B N HIS 185.B O no hydrogen 2.763 N/A ALA 199.B N ARG 148.B O no hydrogen 3.096 N/A LYS 205.B NZ LEU 56.B O no hydrogen 3.132 N/A LYS 205.B NZ ASP 57.B O no hydrogen 2.788 N/A ARG 206.B N ASP 58.B OD1 no hydrogen 2.905 N/A ARG 206.B N ASP 58.B OD2 no hydrogen 3.264 N/A ARG 206.B NH1 LEU 59.B O no hydrogen 2.930 N/A HIS 208.B N VAL 147.B O no hydrogen 2.931 N/A HIS 208.B ND1 HIS 209.B ND1 no hydrogen 2.846 N/A HIS 209.B ND1 HIS 208.B ND1 no hydrogen 2.846 N/A PHE 210.B N GLU 258.B O no hydrogen 3.293 N/A MET 211.B N HIS 145.B O no hydrogen 2.845 N/A LEU 212.B N GLU 260.B O no hydrogen 3.022 N/A ALA 214.B N GLY 262.B O no hydrogen 2.778 N/A ASN 215.B N GLY 135.B O no hydrogen 3.002 N/A THR 216.B N ASP 219.B OD1 no hydrogen 3.035 N/A ASP 219.B N THR 216.B OG1 no hydrogen 2.981 N/A VAL 220.B N THR 216.B O no hydrogen 3.406 N/A GLY 221.B N ILE 217.B O no hydrogen 2.954 N/A TYR 222.B N ASP 218.B O no hydrogen 2.818 N/A ALA 223.B N ASP 219.B O no hydrogen 3.026 N/A PHE 224.B N VAL 220.B O no hydrogen 2.915 N/A ASP 225.B N GLY 221.B O no hydrogen 3.368 N/A ARG 226.B N TYR 222.B O no hydrogen 3.133 N/A ARG 226.B NE SER 25.B O no hydrogen 2.794 N/A ARG 226.B NH1 SER 25.B O no hydrogen 3.043 N/A ARG 226.B NH2 PRO 132.B O no hydrogen 3.176 N/A LEU 227.B N ALA 223.B O no hydrogen 2.932 N/A ASP 228.B N PHE 224.B O no hydrogen 2.812 N/A ALA 229.B N ASP 225.B O no hydrogen 2.912 N/A ALA 230.B N ARG 226.B O no hydrogen 3.197 N/A GLY 231.B N ASP 228.B O no hydrogen 2.878 N/A ARG 232.B N LEU 227.B O no hydrogen 2.966 N/A ARG 232.B NH2 ASP 251.B O no hydrogen 3.313 N/A THR 234.B N TYR 249.B O no hydrogen 2.910 N/A THR 234.B OG1 GLU 258.B OE2 no hydrogen 2.812 N/A SER 235.B N TYR 249.B O no hydrogen 3.284 N/A SER 235.B OG.A LEU 236.B O no hydrogen 2.763 N/A LEU 236.B N LYS 286.B O no hydrogen 2.913 N/A GLY 238.B N SER 247.B O no hydrogen 2.941 N/A ARG 239.B N TRP 283.B O no hydrogen 2.874 N/A ARG 239.B NE GLN 244.B O no hydrogen 2.832 N/A ARG 239.B NH1 GLN 244.B O no hydrogen 3.560 N/A ARG 239.B NH1 GLY 264.B O no hydrogen 2.989 N/A HIS 240.B N THR 245.B O no hydrogen 2.952 N/A HIS 240.B ND1 THR 280.B O no hydrogen 2.959 N/A HIS 240.B NE2 TYR 249.B OH no hydrogen 2.733 N/A THR 241.B N THR 280.B O no hydrogen 3.004 N/A THR 241.B OG1 ARG 279.B O no hydrogen 2.774 N/A THR 241.B OG1 THR 280.B O no hydrogen 3.536 N/A ASN 242.B ND2 ASP 170.B OD1 no hydrogen 2.871 N/A ASP 243.B N ASN 242.B OD1 no hydrogen 2.911 N/A GLN 244.B NE2 THR 241.B O no hydrogen 3.095 N/A THR 245.B N ASP 243.B OD2 no hydrogen 3.042 N/A THR 245.B OG1 ASP 243.B OD1 no hydrogen 2.622 N/A LEU 246.B N TRP 263.B O no hydrogen 2.881 N/A SER 247.B N GLY 238.B O no hydrogen 2.861 N/A SER 247.B OG GLU 260.B OE2 no hydrogen 2.811 N/A SER 247.B OG HIS 285.B NE2 no hydrogen 3.062 N/A PHE 248.B N PHE 261.B O no hydrogen 3.241 N/A TYR 249.B N SER 235.B OG.A no hydrogen 3.073 N/A TYR 249.B OH HIS 240.B NE2 no hydrogen 2.733 N/A ALA 250.B N VAL 259.B O no hydrogen 2.907 N/A ASP 251.B N ARG 232.B O no hydrogen 2.796 N/A THR 252.B N ILE 257.B O no hydrogen 2.978 N/A THR 252.B OG1 SER 254.B O no hydrogen 3.170 N/A THR 252.B OG1 ILE 257.B O no hydrogen 2.878 N/A SER 254.B N THR 252.B OG1 no hydrogen 3.011 N/A SER 254.B OG ASP 57.B OD1 no hydrogen 2.804 N/A ILE 257.B N SER 254.B O no hydrogen 3.105 N/A GLU 258.B N HIS 208.B O no hydrogen 3.065 N/A VAL 259.B N ALA 250.B O no hydrogen 2.765 N/A GLU 260.B N PHE 210.B O no hydrogen 2.897 N/A PHE 261.B N PHE 248.B O no hydrogen 3.087 N/A GLY 262.B N LEU 212.B O no hydrogen 3.048 N/A TRP 263.B N LEU 246.B O no hydrogen 2.815 N/A ARG 266.B N ASP 243.B O no hydrogen 2.707 N/A ARG 266.B NE ASN 242.B O no hydrogen 3.221 N/A ARG 266.B NH1 ASN 242.B O no hydrogen 2.744 N/A VAL 268.B N GLY 191.B O no hydrogen 2.793 N/A SER 271.B N ASP 269.B OD1 no hydrogen 2.786 N/A SER 271.B OG ASP 269.B OD1 no hydrogen 2.541 N/A TRP 272.B N ASP 269.B O no hydrogen 3.053 N/A THR 273.B OG1 SER 271.B O no hydrogen 3.567 N/A ARG 276.B NE ASP 173.B OD1 no hydrogen 2.754 N/A ARG 276.B NH1 ASP 173.B OD2 no hydrogen 2.778 N/A HIS 277.B N ILE 171.B O no hydrogen 2.922 N/A TRP 283.B N ARG 239.B O no hydrogen 3.388 N/A HIS 285.B N LEU 237.B O no hydrogen 2.992 N/A HIS 285.B NE2 SER 247.B OG no hydrogen 3.062 N/A VAL 288.B N THR 234.B O no hydrogen 2.941 N/A