Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 183.A O no hydrogen 2.864 N/A LYS 2.A NZ GLN 162.A OE1 no hydrogen 2.820 N/A ILE 3.A N ASP 23.A OD1 no hydrogen 2.954 N/A PHE 4.A N VAL 185.A O no hydrogen 2.747 N/A LEU 5.A N GLY 24.A O no hydrogen 2.904 N/A ASP 6.A N VAL 187.A O no hydrogen 2.814 N/A THR 7.A OG1 GLU 12.A OE2 no hydrogen 2.974 N/A GLU 12.A N ASN 9.A OD1 no hydrogen 3.215 N/A ILE 13.A N ASN 9.A O no hydrogen 2.928 N/A ARG 14.A N ILE 10.A O no hydrogen 2.824 N/A THR 15.A N ASP 11.A O no hydrogen 2.925 N/A THR 15.A OG1 ASP 11.A O no hydrogen 2.819 N/A GLY 16.A N GLU 12.A O no hydrogen 3.005 N/A VAL 17.A N ILE 13.A O no hydrogen 3.031 N/A ASN 18.A N ARG 14.A O no hydrogen 2.937 N/A TRP 19.A N THR 15.A O no hydrogen 3.233 N/A GLY 20.A N VAL 17.A O no hydrogen 2.818 N/A ASP 23.A N ILE 3.A O no hydrogen 2.831 N/A VAL 25.A N PRO 56.A O no hydrogen 2.865 N/A THR 26.A N LEU 5.A O no hydrogen 2.854 N/A THR 26.A OG1 ASP 6.A OD1 no hydrogen 2.729 N/A THR 26.A OG1 THR 186.A OG1 no hydrogen 2.575 N/A THR 27.A N SER 58.A O.A no hydrogen 2.957 N/A THR 27.A N SER 58.A O.B no hydrogen 2.962 N/A THR 27.A OG1 SER 58.A O.A no hydrogen 2.667 N/A THR 27.A OG1 SER 58.A O.B no hydrogen 2.648 N/A LEU 31.A N ASN 28.A OD1 no hydrogen 2.957 N/A ILE 32.A N ASN 28.A O no hydrogen 3.080 N/A SER 33.A N PRO 29.A O no hydrogen 2.897 N/A LYS 34.A N.A THR 30.A O no hydrogen 3.215 N/A LYS 34.A N.B THR 30.A O no hydrogen 3.239 N/A GLU 35.A N ILE 32.A O no hydrogen 3.156 N/A ALA 36.A N SER 33.A O no hydrogen 2.875 N/A VAL 37.A N GLU 35.A O no hydrogen 2.783 N/A ILE 45.A N LYS 41.A O no hydrogen 3.056 N/A ILE 46.A N TYR 42.A O no hydrogen 3.503 N/A ARG 47.A N GLY 43.A O no hydrogen 3.069 N/A ARG 47.A NH1 GLY 43.A O no hydrogen 3.247 N/A GLU 48.A N ASP 44.A O no hydrogen 2.835 N/A GLU 48.A N ILE 45.A O no hydrogen 3.052 N/A ILE 49.A N ILE 45.A O no hydrogen 2.995 N/A LEU 50.A N ILE 46.A O no hydrogen 2.969 N/A LYS 51.A N ARG 47.A O no hydrogen 3.106 N/A ILE 52.A N GLU 48.A O no hydrogen 2.810 N/A VAL 53.A N ILE 49.A O no hydrogen 2.918 N/A VAL 57.A N ASN 82.A O no hydrogen 2.938 N/A SER 58.A N.A VAL 25.A O no hydrogen 2.854 N/A SER 58.A N.B VAL 25.A O no hydrogen 2.847 N/A VAL 59.A N VAL 84.A O no hydrogen 2.859 N/A VAL 61.A N LYS 86.A O no hydrogen 3.003 N/A VAL 62.A N GLU 72.A OE1 no hydrogen 3.086 N/A VAL 62.A N GLU 72.A OE2 no hydrogen 2.679 N/A SER 63.A N GLU 72.A OE1 no hydrogen 3.039 N/A SER 63.A OG GLU 72.A OE1 no hydrogen 2.769 N/A TYR 66.A N ASP 92.A OD2 no hydrogen 2.761 N/A TYR 66.A OH THR 99.A OG1 no hydrogen 2.686 N/A MET 69.A N LYS 65.A O no hydrogen 2.854 N/A VAL 70.A N TYR 66.A O no hydrogen 2.996 N/A GLU 71.A N GLU 67.A O no hydrogen 3.160 N/A GLU 72.A N GLY 68.A O no hydrogen 2.865 N/A ALA 73.A N MET 69.A O no hydrogen 2.731 N/A ARG 74.A N VAL 70.A O no hydrogen 2.957 N/A ARG 74.A NE GLU 103.A OE1 no hydrogen 2.928 N/A ARG 74.A NE GLU 103.A OE2 no hydrogen 3.372 N/A ARG 74.A NH2 GLU 103.A OE2 no hydrogen 2.698 N/A LYS 75.A N GLU 71.A O no hydrogen 3.237 N/A ILE 76.A N GLU 72.A O no hydrogen 2.993 N/A HIS 77.A N ALA 73.A O no hydrogen 2.829 N/A GLY 78.A N ARG 74.A O no hydrogen 3.028 N/A LEU 79.A N ILE 76.A O no hydrogen 3.001 N/A GLY 80.A N HIS 77.A O no hydrogen 3.128 N/A ASN 82.A ND2 LEU 50.A O no hydrogen 2.901 N/A ASN 82.A ND2 GLY 55.A O no hydrogen 3.176 N/A ALA 83.A N GLY 80.A O no hydrogen 2.984 N/A VAL 84.A N VAL 57.A O no hydrogen 2.808 N/A VAL 85.A N ASN 106.A O no hydrogen 2.917 N/A LYS 86.A N VAL 59.A O no hydrogen 2.841 N/A LYS 86.A NZ THR 27.A O no hydrogen 3.216 N/A ILE 87.A N ASN 108.A O no hydrogen 2.815 N/A MET 89.A N THR 110.A O no hydrogen 2.981 N/A THR 90.A N PRO 88.A O no hydrogen 2.874 N/A GLY 93.A N THR 90.A OG1 no hydrogen 2.943 N/A LEU 94.A N THR 90.A O no hydrogen 2.851 N/A ARG 95.A N GLU 91.A O no hydrogen 3.164 N/A ARG 95.A NH2 ASP 92.A OD1 no hydrogen 3.277 N/A ALA 96.A N ASP 92.A O no hydrogen 2.853 N/A ILE 97.A N GLY 93.A O no hydrogen 2.822 N/A LYS 98.A N LEU 94.A O no hydrogen 2.978 N/A THR 99.A N ARG 95.A O no hydrogen 3.080 N/A THR 99.A OG1 TYR 66.A OH no hydrogen 2.686 N/A THR 99.A OG1 ARG 95.A O no hydrogen 3.398 N/A LEU 100.A N ALA 96.A O no hydrogen 2.790 N/A SER 101.A N.A ILE 97.A O no hydrogen 2.804 N/A SER 101.A N.B ILE 97.A O no hydrogen 2.793 N/A SER 101.A OG.A GLY 125.A O no hydrogen 3.319 N/A SER 101.A OG.B ILE 97.A O no hydrogen 2.805 N/A SER 101.A OG.B GLY 125.A O no hydrogen 2.957 N/A SER 102.A N LYS 98.A O no hydrogen 3.292 N/A SER 102.A OG THR 99.A O no hydrogen 2.683 N/A GLU 103.A N THR 99.A O no hydrogen 3.181 N/A GLU 103.A N LEU 100.A O no hydrogen 2.989 N/A HIS 104.A N SER 101.A O.A no hydrogen 3.166 N/A HIS 104.A N SER 101.A O.B no hydrogen 2.870 N/A ILE 105.A N LEU 100.A O no hydrogen 2.921 N/A THR 107.A N THR 127.A OG1 no hydrogen 2.888 N/A ASN 108.A N VAL 85.A O no hydrogen 2.884 N/A ASN 108.A ND2 SER 58.A OG.A no hydrogen 3.163 N/A ASN 108.A ND2 SER 58.A OG.B no hydrogen 3.242 N/A CYS 109.A N TYR 128.A O no hydrogen 2.851 N/A CYS 109.A SG ILE 87.A O no hydrogen 3.756 N/A CYS 109.A SG THR 110.A O no hydrogen 4.013 N/A THR 110.A N ILE 87.A O no hydrogen 2.895 N/A PHE 113.A N GLN 117.A OE1 no hydrogen 2.699 N/A GLN 117.A N ASN 114.A OD1 no hydrogen 2.827 N/A ALA 118.A N ASN 114.A O no hydrogen 3.369 N/A LEU 119.A N PRO 115.A O no hydrogen 2.925 N/A LEU 120.A N ILE 116.A O no hydrogen 2.854 N/A ALA 121.A N GLN 117.A O no hydrogen 3.075 N/A ALA 122.A N ALA 118.A O no hydrogen 3.024 N/A LYS 123.A N LEU 119.A O no hydrogen 2.815 N/A ALA 124.A N LEU 120.A O no hydrogen 3.078 N/A ALA 124.A N ALA 121.A O no hydrogen 3.012 N/A GLY 125.A N ALA 122.A O no hydrogen 2.944 N/A VAL 126.A N ALA 121.A O no hydrogen 3.263 N/A THR 127.A N THR 107.A OG1 no hydrogen 3.197 N/A TYR 128.A N THR 107.A O no hydrogen 2.962 N/A VAL 129.A N.A GLN 162.A O no hydrogen 2.906 N/A VAL 129.A N.B GLN 162.A O no hydrogen 2.909 N/A SER 130.A N CYS 109.A O no hydrogen 2.845 N/A SER 130.A OG ASN 108.A OD1 no hydrogen 2.684 N/A PHE 132.A N VAL 112.A O no hydrogen 3.209 N/A VAL 133.A N ALA 166.A O no hydrogen 3.040 N/A GLY 134.A N SER 167.A O no hydrogen 2.828 N/A LEU 136.A N PHE 132.A O no hydrogen 3.304 N/A ASP 137.A N VAL 133.A O no hydrogen 2.909 N/A ASP 138.A N GLY 134.A O no hydrogen 2.832 N/A ILE 139.A N LEU 136.A O no hydrogen 2.948 N/A GLY 140.A N ASP 137.A O no hydrogen 3.025 N/A GLU 141.A N LEU 136.A O no hydrogen 3.161 N/A GLY 143.A N ASP 137.A OD1 no hydrogen 2.903 N/A MET 144.A N ASP 142.A OD2 no hydrogen 3.211 N/A GLN 145.A N ASP 142.A O no hydrogen 3.027 N/A GLN 145.A NE2 ASP 142.A OD1 no hydrogen 3.199 N/A ILE 146.A N GLY 143.A O no hydrogen 3.117 N/A ASP 148.A N MET 144.A O no hydrogen 3.030 N/A MET 149.A N GLN 145.A O no hydrogen 3.017 N/A ILE 150.A N ILE 146.A O no hydrogen 2.925 N/A ARG 151.A N ILE 147.A O no hydrogen 2.919 N/A ARG 151.A NE ARG 151.A O no hydrogen 3.213 N/A ARG 151.A NE ASN 155.A OD1 no hydrogen 3.078 N/A ARG 151.A NH1 ASN 155.A OD1 no hydrogen 3.280 N/A ARG 151.A NH2 GLY 181.A O no hydrogen 3.030 N/A ARG 151.A NH2 ASP 183.A OD1 no hydrogen 3.054 N/A THR 152.A N ASP 148.A O no hydrogen 3.148 N/A THR 152.A OG1 ASP 148.A O no hydrogen 3.340 N/A ILE 153.A N MET 149.A O no hydrogen 2.914 N/A PHE 154.A N ILE 150.A O no hydrogen 2.832 N/A ASN 155.A N ARG 151.A O no hydrogen 2.907 N/A ASN 156.A N THR 152.A O no hydrogen 2.868 N/A TYR 157.A N ILE 153.A O no hydrogen 3.246 N/A ILE 158.A N ASN 155.A O no hydrogen 3.272 N/A ILE 159.A N PHE 154.A O no hydrogen 2.879 N/A THR 161.A OG1 VAL 126.A O no hydrogen 2.702 N/A GLN 162.A N THR 127.A O no hydrogen 2.868 N/A ILE 163.A N ASP 183.A OD1 no hydrogen 2.790 N/A LEU 164.A N VAL 129.A O.A no hydrogen 2.740 N/A LEU 164.A N VAL 129.A O.B no hydrogen 2.766 N/A VAL 165.A N VAL 184.A O no hydrogen 2.864 N/A ALA 166.A N PRO 131.A O no hydrogen 3.005 N/A ARG 169.A N HIS 173.A ND1 no hydrogen 3.029 N/A ARG 169.A NH1 ASP 138.A OD1 no hydrogen 3.460 N/A ARG 169.A NH1 ASP 138.A OD2 no hydrogen 2.840 N/A ARG 169.A NH2 ASP 138.A OD1 no hydrogen 2.844 N/A ILE 172.A N ASN 170.A OD1 no hydrogen 2.815 N/A HIS 173.A N ASN 170.A OD1 no hydrogen 2.932 N/A HIS 173.A NE2 ASP 137.A OD2 no hydrogen 2.671 N/A LEU 175.A N PRO 171.A O no hydrogen 2.925 N/A ARG 176.A N ILE 172.A O no hydrogen 2.861 N/A ARG 176.A NH1 ASP 142.A OD1 no hydrogen 3.258 N/A ARG 176.A NH1 ASP 142.A OD2 no hydrogen 3.165 N/A ARG 176.A NH2 ASP 142.A OD1 no hydrogen 2.993 N/A SER 177.A N HIS 173.A O no hydrogen 2.980 N/A SER 177.A OG HIS 173.A O no hydrogen 2.722 N/A ALA 178.A N VAL 174.A O no hydrogen 3.022 N/A VAL 179.A N LEU 175.A O no hydrogen 2.968 N/A ILE 180.A N ARG 176.A O no hydrogen 2.932 N/A GLY 181.A N SER 177.A O no hydrogen 2.882 N/A ALA 182.A N SER 177.A O no hydrogen 2.985 N/A VAL 184.A N ILE 163.A O no hydrogen 2.899 N/A VAL 185.A N LYS 2.A O no hydrogen 3.041 N/A THR 186.A N VAL 165.A O no hydrogen 3.042 N/A THR 186.A OG1 PHE 4.A O no hydrogen 3.472 N/A THR 186.A OG1 THR 26.A OG1 no hydrogen 2.575 N/A VAL 187.A N PHE 4.A O no hydrogen 2.931 N/A LEU 192.A N PRO 188.A O no hydrogen 2.927 N/A LYS 193.A N PHE 189.A O no hydrogen 2.872 N/A SER 194.A N ASN 190.A O no hydrogen 3.252 N/A SER 194.A OG VAL 191.A O no hydrogen 2.777 N/A LEU 195.A N VAL 191.A O no hydrogen 3.140 N/A LEU 195.A N LEU 192.A O no hydrogen 3.118 N/A MET 196.A N LYS 193.A O no hydrogen 3.441 N/A LYS 197.A N SER 194.A O no hydrogen 3.139 N/A LYS 200.A N HIS 198.A ND1 no hydrogen 3.056 N/A THR 201.A N HIS 198.A O no hydrogen 2.944 N/A ASP 202.A N HIS 198.A O no hydrogen 3.191 N/A GLU 203.A N PRO 199.A O no hydrogen 2.976 N/A GLY 204.A N LYS 200.A O no hydrogen 2.870 N/A LEU 205.A N THR 201.A O no hydrogen 2.938 N/A ALA 206.A N ASP 202.A O no hydrogen 3.167 N/A LYS 207.A N GLU 203.A O no hydrogen 2.939 N/A PHE 208.A N.A GLY 204.A O no hydrogen 2.839 N/A PHE 208.A N.B GLY 204.A O no hydrogen 2.866 N/A LEU 209.A N LEU 205.A O no hydrogen 3.114 N/A GLU 210.A N ALA 206.A O no hydrogen 3.107 N/A ASP 211.A N LYS 207.A O no hydrogen 2.858 N/A TRP 212.A N PHE 208.A O.A no hydrogen 2.857 N/A TRP 212.A N PHE 208.A O.B no hydrogen 3.015 N/A LYS 213.A N LEU 209.A O no hydrogen 3.184 N/A LYS 213.A N GLU 210.A O no hydrogen 3.191 N/A LYS 214.A N ASP 211.A O no hydrogen 3.178 N/A VAL 215.A N ASP 211.A O no hydrogen 3.429 N/A SER 216.A N TRP 212.A O no hydrogen 2.834 N/A SER 216.A OG ASP 218.A OD1 no hydrogen 3.556 N/A