Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1shh_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ASN 143.A O no hydrogen 2.789 N/A ILE 1.A N ASP 199.A OD1 no hydrogen 3.506 N/A ILE 1.A N ASP 199.A OD2 no hydrogen 2.684 N/A VAL 2.A N ASP 194.A O no hydrogen 2.823 N/A SER 5.A N VAL 157.A O no hydrogen 2.934 N/A ALA 7.A N LEU 155.A O no hydrogen 2.787 N/A MET 11.A N GLU 8.A O no hydrogen 3.147 N/A SER 12.A OG GLN 15.A OE1 no hydrogen 2.832 N/A GLN 15.A N SER 12.A O no hydrogen 2.989 N/A GLN 15.A NE2 THR 139.A O no hydrogen 3.246 N/A VAL 16.A N ALA 30.A O no hydrogen 2.963 N/A MET 17.A N ARG 62.A O no hydrogen 2.906 N/A LEU 18.A N CYS 28.A O no hydrogen 2.951 N/A PHE 19.A N LEU 60.A O no hydrogen 2.832 N/A ARG 20.A N GLU 25.A O no hydrogen 2.899 N/A ARG 20.A NH1 GLU 25.A OE1 no hydrogen 3.156 N/A LYS 21.A N ASP 58.A O no hydrogen 2.810 N/A LYS 21.A NZ ASN 57.A O no hydrogen 3.375 N/A GLU 25.A N ARG 20.A O no hydrogen 3.383 N/A LEU 27.A N LEU 18.A O no hydrogen 2.847 N/A CYS 28.A N LEU 18.A O no hydrogen 3.375 N/A CYS 28.A SG LEU 27.A O no hydrogen 3.085 N/A GLY 29.A N SER 200.A O no hydrogen 2.759 N/A SER 31.A N LEU 39.A O no hydrogen 2.925 N/A LEU 32.A N TRP 14.A O no hydrogen 2.841 N/A ILE 33.A N TRP 37.A O no hydrogen 2.994 N/A ARG 36.A N SER 34.A OG no hydrogen 3.262 N/A ARG 36.A NH1 GLU 82.A OE1 no hydrogen 2.899 N/A ARG 36.A NH1 LEU 105.A O no hydrogen 2.536 N/A TRP 37.A N SER 34.A OG no hydrogen 3.095 N/A VAL 38.A N MET 103.A O no hydrogen 2.953 N/A LEU 39.A N SER 31.A O no hydrogen 2.770 N/A THR 40.A N ALA 101.A O no hydrogen 2.962 N/A THR 40.A OG1 GLY 29.A O no hydrogen 2.931 N/A ALA 41.A N THR 40.A OG1 no hydrogen 2.781 N/A HIS 43.A N ASP 99.A OD1 no hydrogen 2.764 N/A HIS 43.A ND1 ASP 99.A OD2 no hydrogen 2.652 N/A CYS 44.A N ALA 41.A O no hydrogen 3.144 N/A LEU 45.A N ALA 42.A O no hydrogen 2.852 N/A LEU 46.A N ALA 42.A O no hydrogen 2.844 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.742 N/A ASP 58.A N THR 55I.A O no hydrogen 3.079 N/A LEU 59.A N GLU 56.A O no hydrogen 3.359 N/A LEU 60.A N PHE 19.A O no hydrogen 2.986 N/A VAL 61.A N SER 79.A O no hydrogen 2.995 N/A ARG 62.A N MET 17.A O no hydrogen 2.983 N/A ARG 62.A NH2 GLU 76.A OE1 no hydrogen 3.009 N/A ILE 63.A N LYS 77.A O no hydrogen 2.748 N/A LYS 65.A NZ SER 67.A O no hydrogen 3.088 N/A LYS 65.A NZ GLU 72.A OE2 no hydrogen 3.217 N/A LYS 65.A NZ GLU 76.A OE2 no hydrogen 2.768 N/A HIS 66.A N GLU 72.A OE2 no hydrogen 2.908 N/A SER 67.A N GLU 72.A OE1 no hydrogen 2.951 N/A ARG 68.A N SER 153.A O no hydrogen 2.708 N/A THR 69.A N SER 67.A OG no hydrogen 3.266 N/A THR 69.A OG1 SER 67.A OG no hydrogen 3.087 N/A GLU 72.A N GLU 76.A OE2 no hydrogen 2.706 N/A ILE 75.A N GLU 72.A O no hydrogen 3.030 N/A GLU 76.A N GLU 72.A O no hydrogen 2.980 N/A LYS 77.A N ILE 63.A O no hydrogen 2.831 N/A SER 79.A N VAL 61.A O no hydrogen 2.753 N/A GLU 82.A N LYS 104.A O no hydrogen 2.739 N/A LYS 83.A N LYS 104.A O no hydrogen 3.497 N/A ILE 84.A N GLU 56.A OE2 no hydrogen 2.819 N/A TYR 85.A N LEU 102.A O no hydrogen 2.829 N/A HIS 87.A N ILE 100.A O no hydrogen 3.294 N/A ARG 89.A N HIS 87.A ND1 no hydrogen 2.887 N/A TYR 90.A N HIS 87.A O no hydrogen 3.157 N/A TYR 90.A OH LEU 46.A O no hydrogen 2.693 N/A ASN 91.A N ASP 97.A O no hydrogen 2.850 N/A ASN 95.A ND2 ARG 175.A O no hydrogen 2.751 N/A LEU 96.A N ASN 91.A O no hydrogen 2.859 N/A ASP 97.A N ASN 95.A OD1 no hydrogen 3.133 N/A ARG 98.A NH1 ARG 89.A O no hydrogen 3.247 N/A ALA 101.A N THR 40.A O no hydrogen 2.998 N/A LEU 102.A N TYR 85.A O no hydrogen 2.801 N/A MET 103.A N VAL 38.A O no hydrogen 2.869 N/A LYS 104.A N LYS 83.A O no hydrogen 2.861 N/A LEU 105.A N ARG 36.A O no hydrogen 2.802 N/A LYS 106.A N MET 80.A O no hydrogen 3.020 N/A LYS 106.A NZ LEU 81.A O no hydrogen 3.111 N/A VAL 109.A N ASP 35.A O no hydrogen 2.827 N/A SER 112.A N ILE 115.A O no hydrogen 2.866 N/A TYR 114.A N SER 112.A OG no hydrogen 3.021 N/A ILE 115.A N SER 112.A O no hydrogen 3.364 N/A HIS 116.A N PRO 13.A O no hydrogen 3.068 N/A VAL 118.A N LEU 32.A O no hydrogen 3.070 N/A CYS 119.A N TRP 214.A O no hydrogen 3.144 N/A THR 125.A N ASP 122.A OD2 no hydrogen 2.922 N/A THR 125.A OG1 ASP 122.A OD2 no hydrogen 2.631 N/A ALA 126.A N ASP 122.A O no hydrogen 2.961 N/A LEU 130.A N ALA 126.A O no hydrogen 3.176 N/A GLN 131.A N LEU 129C.A O no hydrogen 2.841 N/A GLY 133.A N ILE 162.A O no hydrogen 2.795 N/A TYR 134.A N GLN 131.A O no hydrogen 3.108 N/A LYS 135.A NZ TYR 185A.A OH no hydrogen 3.127 N/A GLY 136.A N LEU 160.A O no hydrogen 2.906 N/A ARG 137.A N VAL 205.A O no hydrogen 2.785 N/A ARG 137.A NE ASN 159.A OD1 no hydrogen 3.280 N/A VAL 138.A N VAL 158.A O no hydrogen 2.941 N/A THR 139.A OG1 GLN 15.A OE1 no hydrogen 2.576 N/A GLY 140.A N GLN 156.A O no hydrogen 3.073 N/A GLY 142.A N ASP 199.A OD1 no hydrogen 2.809 N/A ASN 143.A N GLU 197.A O no hydrogen 2.905 N/A LEU 144.A N GLY 150.A O no hydrogen 2.911 N/A LEU 155.A N HIS 66.A O no hydrogen 3.005 N/A GLN 156.A N GLY 140.A O no hydrogen 3.128 N/A GLN 156.A NE2 ASP 6.A OD1 no hydrogen 2.843 N/A GLN 156.A NE2 VAL 154.A O no hydrogen 2.931 N/A VAL 157.A N SER 5.A O no hydrogen 2.857 N/A VAL 158.A N VAL 138.A O no hydrogen 3.027 N/A LEU 160.A N GLY 136.A O no hydrogen 2.775 N/A ILE 162.A N TYR 134.A O no hydrogen 2.820 N/A VAL 163.A N CYS 182.A O no hydrogen 2.977 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.706 N/A ARG 165.A NH1 THR 177.A O no hydrogen 2.980 N/A ARG 165.A NH1 MET 180.A O no hydrogen 3.198 N/A ARG 165.A NH2 MET 180.A O no hydrogen 2.716 N/A CYS 168.A N GLU 164.A O no hydrogen 3.001 N/A CYS 168.A SG VAL 163.A O no hydrogen 3.474 N/A CYS 168.A SG GLU 164.A O no hydrogen 3.501 N/A LYS 169.A N ARG 165.A O no hydrogen 2.795 N/A ASP 170.A N PRO 166.A O no hydrogen 3.009 N/A SER 171.A N CYS 168.A O no hydrogen 3.274 N/A SER 171.A OG CYS 168.A O no hydrogen 2.732 N/A THR 172.A OG1 GLU 224.A OE1 no hydrogen 2.648 N/A ILE 174.A N THR 172.A OG1 no hydrogen 3.080 N/A ARG 175.A NE GLU 94A.A OE2 no hydrogen 2.843 N/A ARG 175.A NH2 GLU 94A.A OE1 no hydrogen 2.924 N/A THR 177.A OG1 ASP 97.A OD1 no hydrogen 2.698 N/A ASN 179.A N THR 177.A OG1 no hydrogen 3.019 N/A ASN 179.A ND2 ASP 97.A OD1 no hydrogen 3.015 N/A MET 180.A N THR 177.A O no hydrogen 3.100 N/A PHE 181.A N TYR 235.A O no hydrogen 3.017 N/A ALA 183.A N GLY 233.A O no hydrogen 2.961 N/A GLY 184.A N PRO 161.A O no hydrogen 2.873 N/A LYS 186.A N GLU 189B.A OE1 no hydrogen 2.818 N/A LYS 186.A NZ GLU 164.A OE1 no hydrogen 2.799 N/A ARG 192.A NE ASP 227.A OD2 no hydrogen 2.932 N/A ARG 192.A NH1 ASP 229.A OD1 no hydrogen 3.127 N/A ARG 192.A NH2 ASP 227.A O no hydrogen 2.755 N/A ARG 192.A NH2 ASP 227.A OD2 no hydrogen 3.488 N/A ARG 192.A NH2 ASP 229.A OD1 no hydrogen 2.936 N/A GLY 193.A N ASP 227.A OD1 no hydrogen 2.901 N/A ASP 194.A N VAL 2.A O no hydrogen 3.162 N/A ALA 195.A N ASP 194.A OD1 no hydrogen 2.768 N/A CYS 196.A N ASP 199.A OD2 no hydrogen 2.801 N/A CYS 196.A SG LYS 145.A O no hydrogen 3.723 N/A CYS 196.A SG GLU 197.A OE1 no hydrogen 3.389 N/A ASP 199.A N CYS 196.A O no hydrogen 2.911 N/A SER 200.A OG HIS 43.A NE2 no hydrogen 2.845 N/A GLY 201.A N VAL 220.A O no hydrogen 2.967 N/A GLY 202.A N ASP 199.A O no hydrogen 3.047 N/A PHE 204.A N GLY 218.A O no hydrogen 2.936 N/A VAL 205.A N ARG 137.A O no hydrogen 2.764 N/A MET 206.A N TYR 215.A O no hydrogen 2.962 N/A SER 208.A N ARG 213.A O no hydrogen 2.832 N/A ASN 212.A N SER 208.A O no hydrogen 3.199 N/A TYR 215.A N MET 206.A O no hydrogen 2.859 N/A TYR 215.A OH ASN 211B.A OD1 no hydrogen 2.978 N/A GLN 216.A N CYS 119.A O no hydrogen 2.872 N/A GLN 216.A NE2 SER 31.A OG no hydrogen 2.590 N/A MET 217.A N PHE 204.A O no hydrogen 2.874 N/A GLY 218.A N PHE 204.A O no hydrogen 3.169 N/A ILE 219.A N THR 236.A O no hydrogen 3.176 N/A VAL 220.A N GLY 202.A O no hydrogen 2.889 N/A SER 221.A N PHE 234.A O no hydrogen 3.015 N/A SER 221.A OG ASP 99.A OD2 no hydrogen 2.683 N/A TRP 222.A N PHE 234.A O no hydrogen 3.193 N/A CYS 226.A N GLU 146.A OE2 no hydrogen 3.020 N/A CYS 226.A SG GLU 197.A OE1 no hydrogen 3.175 N/A ASP 227.A N ASP 194.A OD2 no hydrogen 2.907 N/A LYS 231.A N ARG 228A.A O no hydrogen 3.098 N/A LYS 231.A NZ SER 171.A O no hydrogen 2.819 N/A LYS 231.A NZ GLU 224.A OE1 no hydrogen 2.882 N/A GLY 233.A N ALA 183.A O no hydrogen 3.116 N/A PHE 234.A N TRP 222.A O no hydrogen 2.827 N/A TYR 235.A N PHE 181.A O no hydrogen 2.837 N/A THR 236.A N ILE 219.A O no hydrogen 2.816 N/A THR 236.A OG1 ASP 99.A O no hydrogen 2.746 N/A HIS 237.A N ASN 179.A O no hydrogen 2.821 N/A VAL 238.A N MET 217.A O no hydrogen 2.988 N/A LEU 241.A N VAL 238.A O no hydrogen 2.966 N/A LYS 242.A N PHE 239.A O no hydrogen 3.017 N/A LYS 242.A NZ PRO 121.A O no hydrogen 2.861 N/A LYS 243.A NZ LYS 243.A O no hydrogen 3.132 N/A ILE 245.A N LEU 241.A O no hydrogen 3.149 N/A GLN 246.A N LYS 242.A O no hydrogen 2.938 N/A LYS 247.A N LYS 243.A O no hydrogen 2.913 N/A VAL 248.A N TRP 244.A O no hydrogen 2.980 N/A ILE 249.A N ILE 245.A O no hydrogen 2.976 N/A ASP 250.A N GLN 246.A O no hydrogen 2.806 N/A GLN 251.A N LYS 247.A O no hydrogen 3.132 N/A TYR 47A.A N LYS 52F.A O no hydrogen 2.811 N/A ALA 73A.A N TYR 71.A O no hydrogen 2.957 N/A GLU 94A.A N ASN 91.A OD1 no hydrogen 3.176 N/A ALA 127A.A N ARG 123.A O no hydrogen 2.954 N/A PHE 210A.A N SER 208.A OG no hydrogen 2.985 N/A ARG 228A.A NE GLU 146.A OE1 no hydrogen 3.184 N/A ARG 228A.A NE GLU 146.A OE2 no hydrogen 2.987 N/A ARG 228A.A NH2 GLU 146.A OE1 no hydrogen 2.942 N/A SER 128B.A N GLU 124.A O no hydrogen 3.014 N/A SER 128B.A OG GLU 124.A O no hydrogen 2.918 N/A SER 128B.A OG THR 125.A O no hydrogen 3.323 N/A GLU 189B.A N LYS 186.A O no hydrogen 3.206 N/A ASN 211B.A N SER 208.A OG no hydrogen 3.304 N/A LEU 129C.A N THR 125.A O no hydrogen 2.913 N/A TRP 50D.A N TYR 47A.A O no hydrogen 2.962 N/A ASP 51E.A N PRO 48B.A O no hydrogen 2.888 N/A LYS 52F.A N TYR 47A.A O no hydrogen 3.180 N/A PHE 54H.A N LEU 45.A O no hydrogen 2.955 N/A THR 55I.A N ASP 58.A OD2 no hydrogen 2.876 N/A THR 55I.A OG1 ASP 58.A OD2 no hydrogen 3.173 N/A