Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a8q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N LEU 37.A O no hydrogen 3.068 N/A LYS 4.A NZ ASP 94.A OD1 no hydrogen 3.427 N/A GLY 6.A N VAL 35.A O no hydrogen 2.801 N/A LEU 8.A N TYR 33.A O no hydrogen 3.018 N/A PHE 9.A N GLN 88.A O no hydrogen 3.311 N/A PHE 10.A N LYS 31.A O no hydrogen 3.305 N/A LEU 13.A N VAL 84.A O no hydrogen 2.834 N/A VAL 14.A N VAL 84.A O no hydrogen 2.997 N/A THR 15.A N GLU 23.A O no hydrogen 3.187 N/A THR 15.A OG1 ASP 83.A OD1 no hydrogen 3.262 N/A LEU 16.A N ASP 83.A OD1 no hydrogen 3.400 N/A GLN 17.A N LYS 21.A O no hydrogen 3.070 N/A LYS 21.A N GLN 17.A O no hydrogen 3.306 N/A GLU 23.A N THR 15.A O no hydrogen 2.715 N/A LYS 31.A NZ TYR 33.A OH no hydrogen 2.846 N/A LYS 31.A NZ GLU 46.A OE2 no hydrogen 3.456 N/A TRP 34.A N TYR 45.A O no hydrogen 3.114 N/A VAL 35.A N GLY 6.A O no hydrogen 2.828 N/A THR 36.A N LEU 43.A O no hydrogen 3.016 N/A LEU 37.A N LYS 4.A O no hydrogen 2.932 N/A LYS 38.A N THR 41.A O no hydrogen 3.144 N/A GLY 39.A N VAL 1.A O no hydrogen 2.437 N/A CYS 40.A SG ALA 105.A O no hydrogen 3.405 N/A THR 41.A N LYS 38.A O no hydrogen 2.919 N/A LEU 42.A N LEU 55.A O no hydrogen 2.515 N/A LEU 43.A N THR 36.A O no hydrogen 3.166 N/A PHE 44.A N CYS 53.A O no hydrogen 2.969 N/A TYR 45.A N TRP 34.A O no hydrogen 3.093 N/A ALA 57.A N CYS 40.A O no hydrogen 3.104 N/A SER 60.A OG ALA 57.A O no hydrogen 2.580 N/A SER 60.A OG GLU 58.A O no hydrogen 3.491 N/A ILE 61.A N SER 78.A O no hydrogen 2.833 N/A VAL 62.A N HIS 103.A NE2 no hydrogen 2.834 N/A GLN 63.A N CYS 76.A O no hydrogen 2.668 N/A VAL 65.A N VAL 74.A O no hydrogen 2.848 N/A HIS 68.A N VAL 65.A O no hydrogen 3.002 N/A HIS 73.A ND1 THR 90.A O no hydrogen 3.028 N/A PHE 75.A N PHE 87.A O no hydrogen 3.098 N/A CYS 76.A N GLN 63.A O no hydrogen 2.660 N/A CYS 76.A SG LEU 77.A O no hydrogen 3.802 N/A CYS 76.A SG TYR 85.A O no hydrogen 3.183 N/A CYS 76.A SG SER 220.A OG no hydrogen 3.286 N/A LEU 77.A N TYR 85.A O no hydrogen 3.149 N/A SER 78.A N ILE 61.A O no hydrogen 3.114 N/A SER 78.A OG ILE 61.A O no hydrogen 2.759 N/A SER 78.A OG HIS 223.A ND1 no hydrogen 3.325 N/A ASN 79.A ND2 TYR 85.A OH no hydrogen 3.295 N/A SER 80.A OG GLU 58.A O no hydrogen 3.387 N/A CYS 81.A N ASN 79.A O no hydrogen 2.677 N/A CYS 81.A SG SER 80.A O no hydrogen 2.804 N/A ASP 83.A N ASN 79.A OD1 no hydrogen 3.354 N/A VAL 84.A N VAL 14.A O no hydrogen 2.653 N/A TYR 85.A N LEU 77.A O no hydrogen 2.925 N/A LEU 86.A N LYS 11.A O no hydrogen 3.278 N/A PHE 87.A N PHE 75.A O no hydrogen 3.046 N/A GLN 88.A N PHE 9.A O no hydrogen 3.218 N/A ALA 89.A N HIS 73.A O no hydrogen 3.152 N/A THR 90.A N ASP 94.A OD2 no hydrogen 3.214 N/A GLN 92.A NE2 GLU 96.A OE2 no hydrogen 3.230 N/A ASP 94.A N SER 91.A OG no hydrogen 3.209 N/A LEU 95.A N SER 91.A O no hydrogen 3.007 N/A GLU 96.A N GLN 92.A O no hydrogen 3.058 N/A ASN 97.A N THR 93.A O no hydrogen 3.065 N/A TRP 98.A N ASP 94.A O no hydrogen 2.809 N/A VAL 99.A N LEU 95.A O no hydrogen 2.707 N/A THR 100.A N GLU 96.A O no hydrogen 3.095 N/A THR 100.A OG1 GLU 96.A O no hydrogen 2.801 N/A ALA 101.A N ASN 97.A O no hydrogen 2.795 N/A ILE 102.A N TRP 98.A O no hydrogen 2.967 N/A HIS 103.A N VAL 99.A O no hydrogen 2.967 N/A HIS 103.A ND1 SER 187.A OG no hydrogen 2.975 N/A SER 104.A N THR 100.A O no hydrogen 2.905 N/A SER 104.A OG THR 100.A O no hydrogen 2.422 N/A SER 104.A OG SER 187.A O no hydrogen 3.247 N/A ALA 105.A N ALA 101.A O no hydrogen 2.878 N/A CYS 106.A N ILE 102.A O no hydrogen 3.177 N/A CYS 106.A SG ALA 57.A O no hydrogen 2.830 N/A CYS 106.A SG ILE 102.A O no hydrogen 3.274 N/A ALA 107.A N HIS 103.A O no hydrogen 2.876 N/A SER 108.A N SER 104.A O no hydrogen 2.907 N/A LEU 109.A N ALA 105.A O no hydrogen 3.080 N/A PHE 110.A N CYS 106.A O no hydrogen 2.767 N/A ALA 111.A N ALA 107.A O no hydrogen 3.245 N/A LYS 112.A N SER 108.A O no hydrogen 2.780 N/A LYS 113.A N LEU 109.A O no hydrogen 2.757 N/A LYS 113.A NZ GLU 58.A OE1 no hydrogen 3.101 N/A LYS 113.A NZ GLU 58.A OE2 no hydrogen 3.039 N/A GLY 115.A N LYS 112.A O no hydrogen 2.594 N/A LYS 116.A N ALA 111.A O no hydrogen 2.910 N/A LEU 122.A N ASP 118.A O no hydrogen 3.355 N/A LEU 123.A N THR 119.A O no hydrogen 2.726 N/A LYS 124.A N VAL 120.A O no hydrogen 3.343 N/A SER 125.A N ARG 121.A O no hydrogen 2.760 N/A GLN 126.A N LEU 122.A O no hydrogen 2.991 N/A THR 127.A N LEU 123.A O no hydrogen 3.200 N/A THR 127.A OG1 LYS 124.A O no hydrogen 2.687 N/A ARG 128.A N LYS 124.A O no hydrogen 3.525 N/A SER 129.A N SER 125.A O no hydrogen 2.765 N/A LEU 130.A N GLN 126.A O no hydrogen 2.513 N/A LEU 131.A N THR 127.A O no hydrogen 2.766 N/A GLN 132.A N ARG 128.A O no hydrogen 3.293 N/A LYS 133.A N SER 129.A O no hydrogen 2.829 N/A ILE 134.A N LEU 130.A O no hydrogen 2.626 N/A ASP 135.A N LEU 131.A O no hydrogen 2.848 N/A MET 136.A N GLN 132.A O no hydrogen 2.815 N/A ASP 137.A N LYS 133.A O no hydrogen 3.165 N/A SER 138.A N ILE 134.A O no hydrogen 2.726 N/A LYS 139.A N ASP 135.A O no hydrogen 3.100 N/A LYS 139.A N MET 136.A O no hydrogen 2.770 N/A LYS 139.A NZ ASP 135.A OD1 no hydrogen 3.492 N/A MET 140.A N MET 136.A O no hydrogen 3.047 N/A LYS 141.A N ASP 137.A O no hydrogen 2.916 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 3.266 N/A LYS 142.A N SER 138.A O no hydrogen 3.294 N/A MET 143.A N MET 140.A O no hydrogen 2.886 N/A GLU 145.A N LYS 141.A O no hydrogen 3.085 N/A LEU 146.A N LYS 142.A O no hydrogen 3.476 N/A LEU 148.A N ALA 144.A O no hydrogen 2.548 N/A SER 149.A N GLU 145.A O no hydrogen 2.961 N/A VAL 151.A N GLN 147.A O no hydrogen 3.406 N/A LYS 155.A NZ ASP 153.A O no hydrogen 3.195 N/A ARG 157.A N ASP 153.A O no hydrogen 3.186 N/A ILE 160.A N ASN 156.A O no hydrogen 2.913 N/A GLU 161.A N ARG 157.A O no hydrogen 3.473 N/A ASN 162.A ND2 ALA 159.A O no hydrogen 3.091 N/A GLN 163.A N ILE 160.A O no hydrogen 2.551 N/A ILE 164.A N ILE 160.A O no hydrogen 3.341 N/A ARG 165.A N GLU 161.A O no hydrogen 3.198 N/A ARG 165.A NH2 ARG 165.A O no hydrogen 2.904 N/A TRP 167.A N GLN 163.A O no hydrogen 2.749 N/A GLU 168.A N ILE 164.A O no hydrogen 2.846 N/A GLN 169.A N ARG 165.A O no hydrogen 3.307 N/A GLN 169.A N GLN 166.A O no hydrogen 2.883 N/A ASN 170.A N GLN 166.A O no hydrogen 2.994 N/A LEU 171.A N TRP 167.A O no hydrogen 2.778 N/A GLU 172.A N GLU 168.A O no hydrogen 3.224 N/A LYS 173.A N GLN 169.A O no hydrogen 2.922 N/A LYS 173.A NZ ASP 230.A OD1 no hydrogen 2.924 N/A PHE 174.A N ASN 170.A O no hydrogen 3.007 N/A HIS 175.A N LEU 171.A O no hydrogen 2.951 N/A MET 176.A N GLU 172.A O no hydrogen 3.035 N/A ASP 177.A N LYS 173.A O no hydrogen 3.040 N/A LEU 178.A N PHE 174.A O no hydrogen 2.914 N/A PHE 179.A N HIS 175.A O no hydrogen 2.942 N/A ARG 180.A N MET 176.A O no hydrogen 2.922 N/A MET 181.A N ASP 177.A O no hydrogen 2.855 N/A ARG 182.A N LEU 178.A O no hydrogen 3.120 N/A CYS 183.A N PHE 179.A O no hydrogen 3.019 N/A CYS 183.A SG PHE 179.A O no hydrogen 3.277 N/A TYR 184.A N ARG 180.A O no hydrogen 2.966 N/A TYR 184.A OH SER 60.A O no hydrogen 2.624 N/A LEU 185.A N MET 181.A O no hydrogen 2.918 N/A ALA 186.A N ARG 182.A O no hydrogen 3.039 N/A SER 187.A N CYS 183.A O no hydrogen 2.980 N/A SER 187.A OG HIS 103.A ND1 no hydrogen 2.975 N/A SER 187.A OG CYS 183.A O no hydrogen 3.237 N/A LEU 188.A N LEU 185.A O no hydrogen 3.103 N/A GLN 189.A N LEU 185.A O no hydrogen 2.894 N/A SER 198.A N ASN 195.A OD1 no hydrogen 3.328 N/A LEU 199.A N PRO 196.A O no hydrogen 2.687 N/A LEU 200.A N PRO 196.A O no hydrogen 3.009 N/A ALA 201.A N LYS 197.A O no hydrogen 3.025 N/A ALA 202.A N LEU 199.A O no hydrogen 2.695 N/A THR 203.A N LEU 200.A O no hydrogen 2.845 N/A THR 203.A OG1 LEU 200.A O no hydrogen 2.667 N/A SER 204.A N GLU 172.A OE2 no hydrogen 2.751 N/A SER 204.A OG GLU 172.A OE1 no hydrogen 3.261 N/A SER 204.A OG GLU 172.A OE2 no hydrogen 2.666 N/A SER 207.A N SER 204.A OG no hydrogen 2.940 N/A SER 207.A OG GLU 172.A OE1 no hydrogen 3.054 N/A SER 207.A OG GLU 172.A OE2 no hydrogen 3.097 N/A SER 207.A OG SER 204.A OG no hydrogen 2.748 N/A LYS 208.A N SER 204.A O no hydrogen 2.718 N/A LEU 209.A N ARG 205.A O no hydrogen 3.194 N/A ALA 210.A N PRO 206.A O no hydrogen 2.846 N/A LEU 211.A N SER 207.A O no hydrogen 2.847 N/A GLY 212.A N LEU 209.A O no hydrogen 2.636 N/A ARG 213.A NH1 LEU 22.A O no hydrogen 2.853 N/A ARG 213.A NH1 ARG 213.A O no hydrogen 3.244 N/A ARG 213.A NH2 LEU 22.A O no hydrogen 2.516 N/A SER 218.A N SER 221.A OG no hydrogen 3.258 N/A SER 218.A OG SER 221.A OG no hydrogen 3.083 N/A SER 221.A N SER 218.A OG no hydrogen 2.863 N/A SER 221.A OG SER 218.A O no hydrogen 3.105 N/A SER 221.A OG SER 218.A OG no hydrogen 3.083 N/A PHE 222.A N SER 218.A O no hydrogen 3.163 N/A HIS 223.A N VAL 219.A O no hydrogen 2.905 N/A HIS 223.A ND1 SER 78.A OG no hydrogen 3.325 N/A ALA 224.A N SER 220.A O no hydrogen 3.148 N/A LEU 225.A N SER 221.A O no hydrogen 2.733 N/A VAL 226.A N PHE 222.A O no hydrogen 2.933 N/A VAL 226.A N HIS 223.A O no hydrogen 3.118 N/A CYS 227.A N HIS 223.A O no hydrogen 2.986 N/A CYS 227.A SG ASN 79.A O no hydrogen 3.664 N/A CYS 227.A SG HIS 223.A NE2 no hydrogen 3.536 N/A CYS 227.A SG HIS 223.A O no hydrogen 3.612 N/A SER 228.A N ALA 224.A O no hydrogen 2.898 N/A SER 228.A OG ALA 224.A O no hydrogen 3.382 N/A SER 228.A OG LEU 225.A O no hydrogen 2.454 N/A ARG 229.A N VAL 226.A O no hydrogen 3.192 N/A ARG 229.A NH1 GLU 172.A OE1 no hydrogen 2.796 N/A ARG 229.A NH2 GLU 172.A OE1 no hydrogen 3.278 N/A ARG 229.A NH2 SER 207.A OG no hydrogen 2.424 N/A ASP 230.A N CYS 227.A O no hydrogen 2.521 N/A