Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1khp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N TYR 166.A O no hydrogen 2.931 N/A TRP 7.A N VAL 164.A O no hydrogen 2.841 N/A TRP 7.A NE1 ILE 125.A O no hydrogen 2.867 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 2.970 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 2.976 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 3.264 N/A ARG 8.A NH2 ASP 6.A OD2 no hydrogen 2.713 N/A GLN 9.A N ASP 6.A O no hydrogen 3.068 N/A LYS 10.A N TRP 7.A O no hydrogen 3.278 N/A GLY 11.A N ARG 8.A O no hydrogen 3.181 N/A ALA 12.A N TRP 7.A O no hydrogen 3.103 N/A THR 14.A OG1 GLU 35.A OE1 no hydrogen 2.872 N/A LYS 17.A NZ PRO 15.A O no hydrogen 2.767 N/A LYS 17.A NZ GLU 47.A OE2 no hydrogen 2.745 N/A GLN 19.A N SER 176.A O no hydrogen 2.912 N/A GLN 19.A NE2 CYS 22.A O no hydrogen 3.117 N/A GLY 20.A N ASN 18.A OD1 no hydrogen 2.918 N/A CYS 22.A SG SER 24.A OG no hydrogen 3.693 N/A CYS 22.A SG TYR 88.A OH no hydrogen 3.753 N/A GLY 23.A N CYS 63.A O no hydrogen 2.827 N/A SER 24.A N CYS 22.A O no hydrogen 2.798 N/A SER 24.A OG CYS 22.A O no hydrogen 3.374 N/A SER 24.A OG TYR 88.A OH no hydrogen 2.887 N/A CYS 25.A SG HIS 159.A ND1 no hydrogen 3.689 N/A ALA 27.A N SER 24.A O no hydrogen 2.679 N/A PHE 28.A N SER 24.A O no hydrogen 3.088 N/A SER 29.A N CYS 25.A O no hydrogen 2.929 N/A SER 29.A OG SER 131.A OG no hydrogen 2.818 N/A SER 29.A OG VAL 161.A O no hydrogen 2.917 N/A ALA 30.A N TRP 26.A O no hydrogen 3.266 N/A VAL 31.A N ALA 27.A O no hydrogen 3.110 N/A VAL 32.A N PHE 28.A O no hydrogen 3.213 N/A THR 33.A N SER 29.A O no hydrogen 3.444 N/A THR 33.A OG1 ALA 30.A O no hydrogen 2.709 N/A ILE 34.A N ALA 30.A O no hydrogen 3.125 N/A GLU 35.A N VAL 31.A O no hydrogen 2.800 N/A GLY 36.A N VAL 32.A O no hydrogen 2.984 N/A ILE 37.A N THR 33.A O no hydrogen 2.935 N/A ILE 38.A N ILE 34.A O no hydrogen 2.985 N/A LYS 39.A N GLU 35.A O no hydrogen 3.285 N/A LYS 39.A NZ LYS 10.A O no hydrogen 2.844 N/A ILE 40.A N GLY 36.A O no hydrogen 3.061 N/A ARG 41.A N ILE 37.A O no hydrogen 3.076 N/A ARG 41.A NE LYS 211.A O no hydrogen 2.796 N/A THR 42.A N ILE 38.A O no hydrogen 2.967 N/A THR 42.A OG1 ILE 38.A O no hydrogen 2.796 N/A GLY 43.A N LYS 39.A O no hydrogen 2.769 N/A ASN 44.A N THR 42.A OG1 no hydrogen 3.259 N/A ASN 44.A ND2 THR 42.A O no hydrogen 3.047 N/A TYR 48.A N GLU 35.A OE2 no hydrogen 2.895 N/A SER 49.A N HIS 81.A O no hydrogen 3.062 N/A SER 49.A OG TYR 86.A O no hydrogen 2.770 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.669 N/A GLN 51.A NE2 ASP 55.A OD1 no hydrogen 3.098 N/A GLN 51.A NE2 ASP 55.A OD2 no hydrogen 3.174 N/A GLN 51.A NE2 VAL 91.A O no hydrogen 3.105 N/A GLU 52.A N SER 49.A OG no hydrogen 2.844 N/A LEU 54.A N GLU 50.A O no hydrogen 2.999 N/A ASP 55.A N GLN 51.A O no hydrogen 3.003 N/A CYS 56.A N GLU 52.A O no hydrogen 3.006 N/A CYS 56.A SG GLU 52.A O no hydrogen 3.074 N/A CYS 56.A SG SER 97.A OG no hydrogen 3.228 N/A ASP 57.A N LEU 53.A O no hydrogen 3.089 N/A ARG 59.A N ASP 57.A OD1 no hydrogen 2.949 N/A SER 60.A N ASP 57.A O no hydrogen 3.267 N/A SER 60.A OG ASP 57.A OD2 no hydrogen 2.891 N/A TYR 61.A N GLY 65.A O no hydrogen 2.627 N/A TYR 61.A OH TYR 67.A OH no hydrogen 3.140 N/A CYS 63.A SG GLY 90.A O no hydrogen 3.979 N/A ASN 64.A N TYR 61.A O no hydrogen 2.855 N/A GLY 65.A N GLY 62.A O no hydrogen 3.459 N/A TYR 67.A N SER 60.A OG no hydrogen 3.009 N/A TYR 67.A OH TYR 61.A OH no hydrogen 3.140 N/A SER 70.A N TYR 67.A O no hydrogen 2.837 N/A SER 70.A OG ASP 57.A OD1 no hydrogen 2.610 N/A SER 70.A OG ASP 57.A OD2 no hydrogen 2.548 N/A ALA 71.A N TYR 67.A O no hydrogen 3.215 N/A LEU 72.A N PRO 68.A O no hydrogen 2.999 N/A GLN 73.A N TRP 69.A O no hydrogen 3.164 N/A LEU 74.A N SER 70.A O no hydrogen 3.129 N/A VAL 75.A N ALA 71.A O no hydrogen 3.020 N/A ALA 76.A N LEU 72.A O no hydrogen 2.933 N/A GLN 77.A N GLN 73.A O no hydrogen 2.777 N/A TYR 78.A N LEU 74.A O no hydrogen 2.861 N/A GLY 79.A N LEU 74.A O no hydrogen 3.439 N/A ILE 80.A N ALA 105.A O no hydrogen 2.888 N/A HIS 81.A N GLU 52.A OE1 no hydrogen 2.525 N/A HIS 81.A ND1 GLU 52.A OE1 no hydrogen 3.012 N/A HIS 81.A ND1 GLU 52.A OE2 no hydrogen 2.328 N/A HIS 81.A NE2 GLY 101.A O no hydrogen 2.651 N/A ARG 83.A N GLU 47.A O no hydrogen 3.075 N/A ARG 83.A NE GLU 50.A OE1 no hydrogen 2.805 N/A ARG 83.A NH2 GLU 50.A OE1 no hydrogen 3.391 N/A THR 85.A N TYR 82.A O no hydrogen 2.988 N/A THR 85.A OG1 TYR 82.A O no hydrogen 2.696 N/A TYR 86.A N TYR 82.A O no hydrogen 3.034 N/A TYR 86.A N ARG 83.A O no hydrogen 3.220 N/A TYR 86.A OH ASP 55.A OD2 no hydrogen 2.710 N/A TYR 88.A OH GLN 19.A O no hydrogen 2.519 N/A TYR 88.A OH SER 24.A OG no hydrogen 2.887 N/A GLU 89.A N GLN 51.A OE1 no hydrogen 2.644 N/A GLN 92.A NE2 LEU 54.A O no hydrogen 3.267 N/A ARG 93.A N ASP 55.A OD1 no hydrogen 2.807 N/A ARG 93.A NH1 GLU 89.A OE1 no hydrogen 2.433 N/A TYR 94.A OH GLU 99.A OE2 no hydrogen 2.774 N/A CYS 95.A SG SER 97.A OG no hydrogen 3.260 N/A ARG 96.A N TYR 86.A OH no hydrogen 3.147 N/A ARG 96.A NE TYR 94.A O no hydrogen 3.289 N/A ARG 96.A NH1 GLU 89.A OE2 no hydrogen 2.528 N/A ARG 96.A NH2 ASP 55.A OD2 no hydrogen 2.955 N/A ARG 96.A NH2 GLU 89.A OE2 no hydrogen 2.945 N/A SER 97.A OG GLU 52.A OE2 no hydrogen 2.875 N/A ARG 98.A NE ARG 98.A O no hydrogen 3.395 N/A GLU 99.A N ARG 96.A O no hydrogen 3.036 N/A LYS 100.A N SER 97.A O no hydrogen 2.883 N/A LYS 100.A NZ THR 85.A O no hydrogen 2.790 N/A ALA 104.A N ILE 80.A O no hydrogen 2.796 N/A ALA 105.A N ILE 80.A O no hydrogen 3.231 N/A LYS 106.A NZ ALA 76.A O no hydrogen 3.092 N/A LYS 106.A NZ THR 107.A O no hydrogen 2.851 N/A THR 107.A N VAL 75.A O no hydrogen 3.358 N/A ASP 108.A N VAL 210.A O no hydrogen 2.679 N/A GLY 109.A N VAL 210.A O no hydrogen 3.146 N/A ARG 111.A N TYR 208.A O no hydrogen 3.056 N/A VAL 113.A N SER 206.A O no hydrogen 2.979 N/A TYR 116.A N TYR 203.A O no hydrogen 2.801 N/A ALA 120.A N ASN 117.A OD1 no hydrogen 2.859 N/A LEU 121.A N ASN 117.A O no hydrogen 3.364 N/A LEU 122.A N GLU 118.A O no hydrogen 2.999 N/A TYR 123.A N GLY 119.A O no hydrogen 2.812 N/A SER 124.A N ALA 120.A O no hydrogen 3.133 N/A SER 124.A OG ALA 120.A O no hydrogen 2.850 N/A ILE 125.A N LEU 121.A O no hydrogen 2.920 N/A ALA 126.A N LEU 122.A O no hydrogen 3.038 N/A ASN 127.A N SER 124.A O no hydrogen 2.762 N/A GLN 128.A N SER 124.A O no hydrogen 2.945 N/A GLN 128.A NE2 PRO 209.A O no hydrogen 2.872 N/A VAL 130.A N ALA 163.A O no hydrogen 3.116 N/A SER 131.A N PHE 207.A O no hydrogen 2.953 N/A SER 131.A OG SER 29.A OG no hydrogen 2.818 N/A VAL 132.A N VAL 161.A O no hydrogen 3.073 N/A LEU 134.A N HIS 159.A O no hydrogen 2.958 N/A GLU 135.A N CYS 200.A O no hydrogen 2.851 N/A ALA 136.A N ASP 158.A OD1 no hydrogen 2.715 N/A ALA 136.A N ASP 158.A OD2 no hydrogen 3.356 N/A GLN 142.A N GLY 138.A O no hydrogen 3.118 N/A LEU 143.A N LYS 139.A O no hydrogen 2.768 N/A TYR 144.A N PHE 141.A O no hydrogen 3.103 N/A TYR 144.A OH GLY 147.A O no hydrogen 2.579 N/A GLY 147.A N GLU 183.A OE2 no hydrogen 2.914 N/A PHE 149.A N ARG 188.A O no hydrogen 2.732 N/A GLY 154.A N GLU 135.A OE1 no hydrogen 2.919 N/A LYS 156.A N GLU 135.A OE2 no hydrogen 2.970 N/A LYS 156.A NZ GLU 135.A OE2 no hydrogen 2.905 N/A VAL 157.A N ASN 155.A O no hydrogen 3.001 N/A ASP 158.A N LEU 134.A O no hydrogen 2.997 N/A HIS 159.A N LEU 134.A O no hydrogen 3.058 N/A HIS 159.A NE2 ASN 175.A OD1 no hydrogen 2.807 N/A VAL 161.A N VAL 132.A O no hydrogen 2.786 N/A ALA 162.A N LYS 174.A O no hydrogen 3.187 N/A ALA 163.A N VAL 130.A O no hydrogen 2.654 N/A VAL 164.A N LEU 172.A O no hydrogen 2.711 N/A TYR 166.A N VAL 5.A O no hydrogen 2.786 N/A TYR 166.A OH PRO 2.A O no hydrogen 2.552 N/A GLY 167.A N TYR 170.A O no hydrogen 2.978 N/A ILE 171.A N ILE 189.A O no hydrogen 2.719 N/A LEU 172.A N GLY 165.A O no hydrogen 2.711 N/A ILE 173.A N ILE 187.A O no hydrogen 2.952 N/A LYS 174.A N ALA 162.A O no hydrogen 2.769 N/A LYS 174.A NZ THR 14.A O no hydrogen 2.660 N/A LYS 174.A NZ PRO 15.A O no hydrogen 3.405 N/A ASN 175.A N GLY 185.A O no hydrogen 3.231 N/A SER 176.A N ASN 175.A OD1 no hydrogen 2.842 N/A SER 176.A OG GLN 19.A OE1 no hydrogen 2.663 N/A GLY 178.A N LYS 17.A O no hydrogen 3.003 N/A TRP 181.A NE1 PHE 141.A O no hydrogen 3.230 N/A GLY 182.A N TYR 144.A O no hydrogen 3.335 N/A GLU 183.A N TYR 186.A O no hydrogen 2.782 N/A GLY 185.A N TRP 181.A O no hydrogen 2.691 N/A TYR 186.A N GLU 183.A O no hydrogen 2.961 N/A ILE 187.A N ILE 173.A O no hydrogen 2.941 N/A ARG 188.A N TYR 144.A OH no hydrogen 3.508 N/A ARG 188.A NE GLU 183.A OE1 no hydrogen 2.669 N/A ARG 188.A NH2 GLU 183.A OE2 no hydrogen 2.679 N/A ILE 189.A N ILE 171.A O no hydrogen 2.976 N/A LYS 190.A N PHE 149.A O no hydrogen 2.896 N/A LYS 190.A NZ ASN 169.A OD1 no hydrogen 3.306 N/A ARG 191.A N ASN 169.A O no hydrogen 3.127 N/A ARG 191.A NE GLY 167.A O no hydrogen 2.911 N/A ARG 191.A NH1 GLU 118.A OE2 no hydrogen 2.801 N/A GLY 192.A N GLU 118.A OE1 no hydrogen 2.805 N/A TYR 197.A N ASN 195.A OD1 no hydrogen 2.614 N/A GLY 198.A N ASN 195.A O no hydrogen 2.857 N/A GLY 201.A N GLY 198.A O no hydrogen 3.068 N/A LEU 202.A N VAL 199.A O no hydrogen 3.166 N/A TYR 203.A N TYR 197.A O no hydrogen 3.013 N/A TYR 203.A OH GLU 118.A OE1 no hydrogen 2.405 N/A THR 204.A N GLY 201.A O no hydrogen 3.126 N/A THR 204.A OG1 GLY 201.A O no hydrogen 2.862 N/A PHE 207.A N SER 131.A O no hydrogen 2.995 N/A TYR 208.A N ARG 111.A O no hydrogen 3.016 N/A VAL 210.A N GLY 109.A O no hydrogen 2.957 N/A LYS 211.A NZ LYS 106.A O no hydrogen 2.463 N/A ASN 212.A N ASP 108.A OD2 no hydrogen 2.760 N/A