Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ctk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH ASP 43.A O no hydrogen 2.767 N/A ASN 2.A ND2 GLU 24.A OE2 no hydrogen 2.950 N/A VAL 4.A N LEU 49.A O no hydrogen 2.868 N/A PHE 6.A N ASP 51.A O no hydrogen 2.928 N/A LEU 8.A N THR 53.A O no hydrogen 2.802 N/A GLY 9.A N ASN 7.A OD1 no hydrogen 2.668 N/A GLU 10.A N ASN 7.A O no hydrogen 2.936 N/A GLU 13.A N GLU 10.A O no hydrogen 2.989 N/A TYR 14.A N ALA 11.A O no hydrogen 3.004 N/A TYR 14.A OH MET 162.A O no hydrogen 2.727 N/A PHE 17.A N GLU 13.A O no hydrogen 2.949 N/A ILE 18.A N TYR 14.A O no hydrogen 2.917 N/A GLN 19.A N PRO 15.A O no hydrogen 3.137 N/A ASP 20.A N THR 16.A O no hydrogen 2.933 N/A LEU 21.A N PHE 17.A O no hydrogen 3.024 N/A ARG 22.A N ILE 18.A O no hydrogen 2.992 N/A ARG 22.A NE ALA 167.A O no hydrogen 2.837 N/A ARG 22.A NH1 GLU 173.A OE1 no hydrogen 3.013 N/A ARG 22.A NH2 ALA 166.A O no hydrogen 2.887 N/A ARG 22.A NH2 GLU 173.A OE1 no hydrogen 2.826 N/A ASN 23.A N GLN 19.A O no hydrogen 3.024 N/A ASN 23.A ND2 GLN 19.A OE1 no hydrogen 3.045 N/A GLU 24.A N ASP 20.A O no hydrogen 3.304 N/A LEU 25.A N LEU 21.A O no hydrogen 3.099 N/A ALA 26.A N ARG 22.A O no hydrogen 2.801 N/A LYS 27.A N LEU 25.A O no hydrogen 2.793 N/A LYS 27.A NZ GLU 24.A O no hydrogen 2.845 N/A GLY 28.A N VAL 36.A O no hydrogen 2.809 N/A VAL 31.A N LEU 34.A O no hydrogen 3.062 N/A CYS 32.A SG ILE 205.A O no hydrogen 3.963 N/A LEU 34.A N VAL 31.A O no hydrogen 2.903 N/A THR 37.A N LEU 244.A O no hydrogen 2.998 N/A THR 37.A OG1 THR 67.A O no hydrogen 2.907 N/A LYS 45.A N ALA 42.A O no hydrogen 2.894 N/A ARG 46.A N ASP 43.A O no hydrogen 3.398 N/A ARG 46.A NE ASP 65.A OD1 no hydrogen 2.824 N/A ARG 46.A NE ASP 65.A OD2 no hydrogen 3.185 N/A ARG 46.A NH2 ASP 65.A OD2 no hydrogen 2.943 N/A VAL 48.A N ILE 64.A O no hydrogen 2.989 N/A LEU 49.A N ASN 2.A O no hydrogen 2.881 N/A VAL 50.A N VAL 62.A O no hydrogen 2.795 N/A ASP 51.A N VAL 4.A O no hydrogen 2.967 N/A ILE 52.A N VAL 60.A O no hydrogen 3.081 N/A THR 53.A N PHE 6.A O no hydrogen 3.137 N/A THR 53.A OG1 THR 59.A OG1 no hydrogen 2.804 N/A THR 54.A N LYS 58.A O no hydrogen 2.858 N/A THR 54.A OG1 SER 56.A OG no hydrogen 2.584 N/A THR 54.A OG1 LYS 58.A O no hydrogen 3.339 N/A THR 55.A N GLU 136.A OE1 no hydrogen 3.123 N/A THR 55.A N GLU 136.A OE2 no hydrogen 2.969 N/A THR 55.A OG1 GLU 136.A OE1 no hydrogen 2.634 N/A THR 55.A OG1 GLU 136.A OE2 no hydrogen 3.378 N/A SER 56.A N THR 54.A OG1 no hydrogen 3.250 N/A SER 56.A OG THR 54.A OG1 no hydrogen 2.584 N/A SER 56.A OG GLU 140.A OE1 no hydrogen 2.413 N/A LYS 57.A N THR 54.A O no hydrogen 2.957 N/A LYS 58.A N THR 54.A OG1 no hydrogen 2.980 N/A LYS 58.A NZ GLU 140.A OE2 no hydrogen 2.920 N/A THR 59.A OG1 THR 53.A OG1 no hydrogen 2.804 N/A VAL 60.A N ILE 52.A O no hydrogen 3.017 N/A LYS 61.A N GLN 75.A O no hydrogen 2.978 N/A VAL 62.A N VAL 50.A O no hydrogen 2.878 N/A ALA 63.A N GLY 73.A O no hydrogen 2.923 N/A ILE 64.A N VAL 48.A O no hydrogen 2.973 N/A ASP 65.A N TYR 70.A O no hydrogen 2.842 N/A VAL 66.A N ARG 46.A O no hydrogen 2.964 N/A THR 67.A N ASP 65.A OD1 no hydrogen 2.964 N/A THR 67.A OG1 ASP 65.A OD1 no hydrogen 2.700 N/A VAL 69.A N ASP 65.A O no hydrogen 2.715 N/A TYR 70.A N ASP 68.A OD1 no hydrogen 3.038 N/A VAL 72.A N ALA 63.A O no hydrogen 2.994 N/A TYR 74.A N VAL 85.A O no hydrogen 2.917 N/A GLN 75.A N LYS 61.A O no hydrogen 2.872 N/A ASP 76.A N ARG 83.A O no hydrogen 2.971 N/A TRP 78.A N LYS 81.A O no hydrogen 2.746 N/A LYS 81.A N TRP 78.A O no hydrogen 3.020 N/A ARG 83.A N ASP 76.A O no hydrogen 3.091 N/A ARG 83.A NE ASP 76.A OD1 no hydrogen 2.975 N/A ARG 83.A NH1 LYS 145.A O no hydrogen 2.965 N/A ARG 83.A NH2 ASP 76.A OD2 no hydrogen 2.734 N/A ARG 83.A NH2 LYS 145.A O no hydrogen 2.991 N/A ALA 84.A N ASN 104.A O no hydrogen 2.837 N/A VAL 85.A N TYR 74.A O no hydrogen 2.863 N/A PHE 86.A N VAL 106.A O no hydrogen 2.735 N/A LEU 87.A N VAL 72.A O no hydrogen 3.126 N/A ASP 88.A N PHE 110.A O no hydrogen 2.883 N/A ALA 94.A N PRO 91.A O no hydrogen 2.865 N/A THR 95.A OG1 THR 92.A O no hydrogen 3.240 N/A SER 96.A N THR 92.A O no hydrogen 2.934 N/A SER 96.A OG THR 92.A O no hydrogen 3.008 N/A LYS 97.A N VAL 93.A O no hydrogen 2.899 N/A LEU 98.A N ALA 94.A O no hydrogen 3.078 N/A VAL 102.A N PHE 99.A O no hydrogen 3.286 N/A ARG 105.A NH1 PHE 99.A O no hydrogen 2.997 N/A ARG 105.A NH1 VAL 102.A O no hydrogen 2.974 N/A ARG 105.A NH2 THR 95.A O no hydrogen 2.909 N/A ARG 105.A NH2 LEU 98.A O no hydrogen 2.893 N/A VAL 106.A N ALA 84.A O no hydrogen 2.693 N/A LEU 108.A N PHE 86.A O no hydrogen 2.885 N/A SER 113.A N ASP 111.A OD2 no hydrogen 2.900 N/A SER 113.A OG ASP 111.A OD2 no hydrogen 2.684 N/A TYR 114.A OH GLU 165.A OE2 no hydrogen 2.584 N/A LYS 116.A N SER 113.A OG no hydrogen 3.420 N/A LEU 117.A N SER 113.A O no hydrogen 3.027 N/A VAL 118.A N TYR 114.A O no hydrogen 2.928 N/A ASN 119.A N GLN 115.A O no hydrogen 3.204 N/A ALA 120.A N LYS 116.A O no hydrogen 3.127 N/A ALA 121.A N LEU 117.A O no hydrogen 2.860 N/A LYS 122.A N VAL 118.A O no hydrogen 2.746 N/A ARG 125.A N ASP 124.A OD1 no hydrogen 3.202 N/A ARG 125.A NH1 GLU 195.A OE1 no hydrogen 2.937 N/A ARG 125.A NH1 ASN 196.A OD1 no hydrogen 3.029 N/A ARG 125.A NH2 ASN 196.A OD1 no hydrogen 2.985 N/A ASP 127.A N ASP 124.A O no hydrogen 2.929 N/A LEU 128.A N ARG 125.A O no hydrogen 3.277 N/A LEU 130.A N PHE 185.A O no hydrogen 2.666 N/A VAL 132.A N GLY 180.A O no hydrogen 2.830 N/A LYS 134.A NZ GLU 129.A OE2 no hydrogen 3.062 N/A LEU 135.A N GLY 131.A O no hydrogen 2.839 N/A GLU 136.A N VAL 132.A O no hydrogen 2.984 N/A PHE 137.A N TYR 133.A O no hydrogen 2.917 N/A SER 138.A N LYS 134.A O no hydrogen 3.022 N/A SER 138.A OG LEU 135.A O no hydrogen 2.679 N/A ILE 139.A N LEU 135.A O no hydrogen 3.048 N/A GLU 140.A N GLU 136.A O no hydrogen 2.913 N/A ALA 141.A N PHE 137.A O no hydrogen 3.057 N/A ILE 142.A N ILE 139.A O no hydrogen 3.181 N/A HIS 143.A N ILE 139.A O no hydrogen 2.826 N/A GLY 144.A N ASP 76.A OD2 no hydrogen 3.461 N/A LYS 145.A N ILE 142.A O no hydrogen 3.166 N/A GLN 150.A NE2 ALA 121.A O no hydrogen 3.153 N/A GLU 151.A N ASN 148.A OD1 no hydrogen 3.112 N/A ILE 152.A N ASN 148.A O no hydrogen 3.056 N/A ALA 153.A N GLY 149.A O no hydrogen 2.957 N/A LYS 154.A N GLN 150.A O no hydrogen 3.214 N/A PHE 155.A N GLU 151.A O no hydrogen 3.145 N/A PHE 156.A N ILE 152.A O no hydrogen 3.015 N/A LEU 157.A N ALA 153.A O no hydrogen 2.984 N/A ILE 158.A N LYS 154.A O no hydrogen 3.093 N/A VAL 159.A N PHE 155.A O no hydrogen 2.883 N/A ILE 160.A N PHE 156.A O no hydrogen 2.839 N/A GLN 161.A N LEU 157.A O no hydrogen 3.479 N/A GLN 161.A NE2 LEU 157.A O no hydrogen 3.106 N/A MET 162.A N ILE 158.A O no hydrogen 3.034 N/A VAL 163.A N VAL 159.A O no hydrogen 2.894 N/A SER 164.A OG VAL 69.A O no hydrogen 3.042 N/A GLU 165.A N ILE 160.A O no hydrogen 2.969 N/A ALA 167.A N VAL 163.A O no hydrogen 2.976 N/A ARG 168.A N SER 164.A O no hydrogen 3.049 N/A ARG 168.A NH1 GLU 165.A OE1 no hydrogen 2.841 N/A ARG 168.A NH2 ASP 68.A O no hydrogen 2.779 N/A PHE 169.A N GLU 165.A O no hydrogen 2.853 N/A TYR 171.A N ASP 240.A O no hydrogen 3.329 N/A GLU 173.A N PHE 169.A O no hydrogen 3.034 N/A THR 174.A N LYS 170.A O no hydrogen 2.876 N/A THR 174.A OG1 LYS 170.A O no hydrogen 3.079 N/A GLU 175.A N TYR 171.A O no hydrogen 3.081 N/A VAL 176.A N ILE 172.A O no hydrogen 3.099 N/A VAL 177.A N GLU 173.A O no hydrogen 2.987 N/A ASP 178.A N THR 174.A O no hydrogen 2.877 N/A ARG 179.A N GLU 175.A O no hydrogen 2.804 N/A ARG 179.A NE GLU 175.A OE1 no hydrogen 2.763 N/A GLY 180.A N VAL 176.A O no hydrogen 2.652 N/A PHE 185.A N LEU 130.A O no hydrogen 3.044 N/A ASN 188.A ND2 TYR 171.A OH no hydrogen 3.240 N/A LYS 190.A NZ ASP 240.A OD2 no hydrogen 2.922 N/A VAL 191.A N ASN 188.A OD1 no hydrogen 2.921 N/A LEU 192.A N ASN 188.A O no hydrogen 3.164 N/A ASN 193.A N PHE 189.A O no hydrogen 3.009 N/A LEU 194.A N LYS 190.A O no hydrogen 2.908 N/A GLU 195.A N VAL 191.A O no hydrogen 3.088 N/A ASN 196.A N LEU 192.A O no hydrogen 3.091 N/A ASN 197.A N LEU 194.A O no hydrogen 3.015 N/A TRP 198.A NE1 ILE 243.A O no hydrogen 2.931 N/A ILE 201.A N ASN 197.A O no hydrogen 2.890 N/A SER 202.A N TRP 198.A O no hydrogen 2.986 N/A SER 202.A OG TRP 198.A O no hydrogen 2.885 N/A ASP 203.A N GLY 199.A O no hydrogen 3.014 N/A ALA 204.A N ASP 200.A O no hydrogen 3.038 N/A ILE 205.A N ILE 201.A O no hydrogen 3.113 N/A HIS 206.A N SER 202.A O no hydrogen 3.005 N/A HIS 206.A ND1 SER 202.A O no hydrogen 3.011 N/A LYS 207.A N ASP 203.A O no hydrogen 2.918 N/A LYS 207.A NZ ASN 216.A O no hydrogen 2.927 N/A SER 208.A N ALA 204.A O no hydrogen 3.155 N/A SER 208.A N ILE 205.A O no hydrogen 3.151 N/A SER 208.A OG ILE 205.A O no hydrogen 2.703 N/A SER 209.A N HIS 206.A O no hydrogen 3.149 N/A SER 209.A OG.A HIS 206.A O no hydrogen 2.497 N/A CYS 212.A N SER 208.A O no hydrogen 2.977 N/A CYS 212.A SG PRO 210.A O no hydrogen 3.483 N/A THR 214.A N THR 213.A OG1 no hydrogen 2.628 N/A ILE 215.A N ASN 232.A O no hydrogen 2.911 N/A LEU 219.A N VAL 231.A O no hydrogen 2.879 N/A LEU 221.A N TRP 229.A O no hydrogen 2.900 N/A SER 223.A N ASP 227.A O no hydrogen 2.829 N/A SER 223.A OG SER 225.A OG.A no hydrogen 3.164 N/A SER 223.A OG ASP 227.A O no hydrogen 3.322 N/A SER 225.A N SER 223.A OG no hydrogen 3.360 N/A SER 225.A OG.A SER 223.A OG no hydrogen 3.164 N/A SER 225.A OG.A ASP 227.A OD2 no hydrogen 2.685 N/A ASN 226.A N SER 223.A O no hydrogen 2.933 N/A ASP 227.A N SER 223.A OG no hydrogen 3.051 N/A TRP 229.A N LEU 221.A O no hydrogen 2.867 N/A VAL 231.A N LEU 219.A O no hydrogen 2.911 N/A LYS 233.A NZ SER 235.A OG no hydrogen 3.294 N/A LYS 233.A NZ GLN 236.A OE1 no hydrogen 2.799 N/A VAL 234.A N THR 213.A O no hydrogen 2.905 N/A GLN 236.A N LYS 233.A O no hydrogen 2.950 N/A GLN 236.A NE2 ASN 232.A OD1 no hydrogen 3.660 N/A ILE 237.A N VAL 234.A O no hydrogen 3.037 N/A SER 238.A N VAL 234.A O no hydrogen 2.773 N/A SER 238.A OG.A VAL 234.A O no hydrogen 3.162 N/A ASP 240.A N ILE 237.A O no hydrogen 3.013 N/A MET 241.A N SER 238.A O no hydrogen 3.100 N/A GLY 242.A N ARG 168.A O no hydrogen 2.703 N/A ILE 243.A N ARG 168.A O no hydrogen 3.152 N/A LEU 244.A N PRO 35.A O no hydrogen 2.934 N/A LYS 245.A N SER 202.A OG no hydrogen 2.891 N/A LYS 245.A NZ PHE 246.A O no hydrogen 3.347 N/A PHE 246.A N THR 37.A OG1 no hydrogen 3.109 N/A