Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5e5r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N TYR 11.A O no hydrogen 2.944 N/A GLY 12.A N GLY 9.A O no hydrogen 2.917 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.705 N/A HIS 15.A N GLY 12.A O no hydrogen 2.694 N/A TRP 16.A N PRO 13.A O no hydrogen 3.032 N/A TRP 16.A NE1 ALA 6.A O no hydrogen 2.994 N/A TRP 16.A NE1 TYR 11.A O no hydrogen 3.004 N/A THR 18.A OG1 HIS 15.A O no hydrogen 3.170 N/A SER 19.A N TRP 16.A O no hydrogen 3.044 N/A SER 19.A OG TRP 16.A O no hydrogen 3.473 N/A SER 20.A N TRP 16.A O no hydrogen 2.674 N/A CYS 23.A N SER 20.A O no hydrogen 2.922 N/A GLY 24.A N VAL 21.A O no hydrogen 3.253 N/A GLY 25.A N SER 22.A O no hydrogen 3.426 N/A GLN 28.A NE2 CYS 199.A O no hydrogen 3.183 N/A GLN 28.A NE2 GLU 201.A OE2 no hydrogen 3.090 N/A SER 29.A N SER 193.A OG no hydrogen 3.132 N/A SER 29.A OG TYR 190.A OH no hydrogen 2.955 N/A SER 29.A OG SER 193.A O no hydrogen 3.562 N/A ILE 33.A N SER 103.A O no hydrogen 3.077 N/A ALA 38.A N ASP 35.A O no hydrogen 3.424 N/A GLN 42.A N SER 74.A O no hydrogen 2.673 N/A GLN 42.A NE2 ASP 44.A OD1 no hydrogen 3.316 N/A ASP 44.A N PHE 72.A O no hydrogen 2.917 N/A ASN 48.A N GLY 45.A O no hydrogen 3.172 N/A SER 50.A N PHE 174.A O no hydrogen 2.934 N/A SER 50.A OG PHE 174.A O no hydrogen 3.521 N/A SER 51.A N ASP 69.A OD2 no hydrogen 2.556 N/A LYS 53.A N SER 51.A OG no hydrogen 2.756 N/A THR 54.A N SER 51.A O no hydrogen 3.258 N/A MET 56.A N THR 169.A O no hydrogen 2.621 N/A LYS 57.A N ALA 64.A O no hydrogen 2.779 N/A LYS 57.A NZ GLU 166.A O no hydrogen 3.277 N/A LYS 57.A NZ GLU 168.A OE2 no hydrogen 2.859 N/A ASN 58.A N LYS 167.A O no hydrogen 2.878 N/A ASN 58.A ND2 VAL 162.A O no hydrogen 2.946 N/A ASN 58.A ND2 PHE 226.A O no hydrogen 3.052 N/A THR 59.A N THR 62.A O no hydrogen 3.004 N/A THR 59.A OG1 THR 62.A O no hydrogen 3.466 N/A GLY 60.A N ASN 58.A OD1 no hydrogen 2.666 N/A LYS 61.A N THR 59.A OG1 no hydrogen 3.142 N/A THR 62.A N THR 59.A OG1 no hydrogen 3.107 N/A THR 62.A OG1 VAL 63.A O no hydrogen 3.322 N/A THR 62.A OG1 PHE 89.A O no hydrogen 2.570 N/A VAL 63.A N THR 62.A OG1 no hydrogen 2.571 N/A ALA 64.A N LYS 57.A O no hydrogen 2.776 N/A ILE 65.A N VAL 87.A O no hydrogen 2.723 N/A LEU 66.A N TRP 55.A O no hydrogen 2.961 N/A LEU 67.A N GLU 85.A O no hydrogen 3.147 N/A LYS 68.A N THR 54.A OG1 no hydrogen 3.042 N/A PHE 72.A N ASP 44.A O no hydrogen 2.804 N/A VAL 73.A N PHE 82.A O no hydrogen 2.824 N/A SER 74.A N GLN 42.A O no hydrogen 2.933 N/A LEU 78.A N GLY 75.A O no hydrogen 2.944 N/A GLY 80.A N LEU 78.A O no hydrogen 2.661 N/A ARG 81.A NH1 ASP 44.A OD2 no hydrogen 3.011 N/A PHE 82.A N VAL 73.A O no hydrogen 3.049 N/A LYS 83.A N TYR 117.A O no hydrogen 2.709 N/A LYS 83.A NZ TYR 117.A OH no hydrogen 3.438 N/A ALA 84.A N TYR 71.A O no hydrogen 2.942 N/A GLU 85.A N PHE 115.A O no hydrogen 2.617 N/A LYS 86.A NZ GLU 88.A OE2 no hydrogen 2.757 N/A VAL 87.A N ILE 65.A O no hydrogen 2.897 N/A GLU 88.A N GLN 113.A O no hydrogen 2.884 N/A PHE 89.A N THR 62.A OG1 no hydrogen 2.960 N/A HIS 90.A N GLU 111.A O no hydrogen 2.980 N/A HIS 90.A ND1 ASN 243.A O no hydrogen 2.614 N/A HIS 90.A NE2 GLN 113.A OE1 no hydrogen 2.973 N/A TRP 91.A N ASN 243.A OD1 no hydrogen 3.008 N/A TRP 91.A NE1 LEU 240.A O no hydrogen 2.837 N/A HIS 93.A ND1 SER 94.A OG no hydrogen 2.887 N/A SER 94.A OG HIS 93.A ND1 no hydrogen 2.887 N/A SER 97.A N SER 94.A O no hydrogen 2.806 N/A SER 97.A OG ALA 98.A O no hydrogen 3.378 N/A GLY 99.A N PHE 108.A O no hydrogen 3.100 N/A SER 100.A N PHE 108.A O no hydrogen 3.044 N/A SER 100.A OG HIS 102.A O no hydrogen 3.375 N/A SER 100.A OG PHE 108.A O no hydrogen 3.320 N/A GLU 101.A N GLU 111.A OE1 no hydrogen 2.670 N/A HIS 102.A N GLU 111.A OE1 no hydrogen 2.715 N/A HIS 102.A ND1 GLU 111.A OE2 no hydrogen 2.740 N/A HIS 102.A NE2 TYR 190.A OH no hydrogen 2.917 N/A SER 103.A OG ASP 32.A OD1 no hydrogen 2.491 N/A GLY 105.A N ASP 32.A OD1 no hydrogen 3.066 N/A ARG 106.A N ASN 104.A O no hydrogen 2.366 N/A PHE 108.A N SER 100.A OG no hydrogen 2.947 N/A GLU 111.A N HIS 90.A O no hydrogen 2.940 N/A MET 112.A N ILE 140.A O no hydrogen 2.800 N/A GLN 113.A N GLU 88.A O no hydrogen 2.877 N/A GLN 113.A NE2 GLU 101.A OE1 no hydrogen 2.841 N/A GLN 113.A NE2 GLU 111.A OE2 no hydrogen 3.446 N/A ILE 114.A N MET 138.A O no hydrogen 3.186 N/A PHE 115.A N LYS 86.A O no hydrogen 2.891 N/A PHE 116.A N GLY 136.A O no hydrogen 2.842 N/A TYR 117.A N LYS 83.A O no hydrogen 3.042 N/A ASP 120.A N ASN 118.A OD1 no hydrogen 3.116 N/A SER 124.A OG THR 127.A OG1 no hydrogen 3.054 N/A THR 127.A N SER 124.A O no hydrogen 3.146 N/A THR 127.A OG1 ASP 123.A OD1 no hydrogen 3.078 N/A THR 127.A OG1 SER 124.A OG no hydrogen 3.054 N/A ALA 128.A N SER 124.A O no hydrogen 3.309 N/A ILE 129.A N PHE 125.A O no hydrogen 3.040 N/A SER 130.A N GLN 126.A O no hydrogen 3.438 N/A SER 130.A OG GLN 126.A O no hydrogen 3.104 N/A GLU 131.A N THR 127.A O no hydrogen 3.066 N/A GLU 131.A N ALA 128.A O no hydrogen 3.305 N/A ASN 132.A N ILE 129.A O no hydrogen 2.969 N/A ARG 133.A N ALA 128.A O no hydrogen 3.176 N/A ILE 135.A N ILE 202.A O no hydrogen 2.987 N/A GLY 136.A N PHE 116.A O no hydrogen 3.380 N/A ALA 137.A N GLU 204.A O no hydrogen 3.011 N/A MET 138.A N ILE 114.A O no hydrogen 2.911 N/A ALA 139.A N ILE 206.A O no hydrogen 2.615 N/A ILE 140.A N MET 112.A O no hydrogen 2.748 N/A PHE 142.A N VAL 110.A O no hydrogen 2.941 N/A GLN 143.A N VAL 212.A O no hydrogen 2.931 N/A VAL 144.A N GLN 143.A OE1 no hydrogen 3.106 N/A SER 145.A OG ARG 147.A O no hydrogen 2.642 N/A SER 145.A OG ILE 214.A O no hydrogen 3.382 N/A ASN 149.A N GLN 218.A OE1 no hydrogen 3.008 N/A ASN 149.A ND2 PRO 213.A O no hydrogen 2.872 N/A ALA 151.A N ASN 149.A OD1 no hydrogen 3.152 N/A LEU 152.A N ASN 149.A O no hydrogen 3.076 N/A ASP 153.A N SER 150.A O no hydrogen 3.081 N/A ILE 156.A N LEU 152.A O no hydrogen 2.980 N/A HIS 157.A N ASP 153.A O no hydrogen 2.985 N/A GLY 158.A N PRO 154.A O no hydrogen 2.954 N/A LEU 159.A N ILE 155.A O no hydrogen 2.849 N/A LYS 160.A N ILE 156.A O no hydrogen 3.167 N/A GLY 161.A N GLY 158.A O no hydrogen 2.933 N/A VAL 162.A N LEU 159.A O no hydrogen 3.060 N/A HIS 165.A ND1 THR 228.A OG1 no hydrogen 2.604 N/A GLU 166.A N ASN 58.A O no hydrogen 2.907 N/A LYS 167.A N HIS 164.A O no hydrogen 2.985 N/A THR 169.A N MET 56.A O no hydrogen 2.912 N/A THR 169.A OG1 PHE 170.A O no hydrogen 3.192 N/A LEU 171.A N THR 54.A O no hydrogen 3.097 N/A PHE 174.A N SER 50.A OG no hydrogen 3.048 N/A ARG 177.A N PHE 46.A O no hydrogen 3.000 N/A ARG 177.A NH1 ARG 177.A O no hydrogen 2.755 N/A ARG 177.A NH1 PRO 181.A O no hydrogen 3.038 N/A ARG 177.A NH2 PRO 181.A O no hydrogen 3.548 N/A ARG 177.A NH2 ALA 182.A O no hydrogen 3.466 N/A ASP 178.A N VAL 175.A O no hydrogen 2.874 N/A LEU 179.A N LEU 176.A O no hydrogen 3.021 N/A LEU 180.A N ARG 177.A O no hydrogen 2.990 N/A TYR 187.A N SER 258.A O no hydrogen 2.810 N/A TYR 188.A N VAL 207.A O no hydrogen 3.107 N/A TYR 188.A OH ASP 35.A OD1 no hydrogen 2.888 N/A ARG 189.A N SER 256.A O no hydrogen 3.221 N/A ARG 189.A NE ALA 76.A O no hydrogen 2.803 N/A ARG 189.A NH1 GLU 204.A OE1 no hydrogen 3.105 N/A ARG 189.A NH1 TRP 205.A O no hydrogen 2.906 N/A ARG 189.A NH2 GLY 77.A O no hydrogen 3.411 N/A ARG 189.A NH2 GLU 204.A OE1 no hydrogen 3.340 N/A TYR 190.A OH SER 29.A OG no hydrogen 2.955 N/A TYR 190.A OH HIS 102.A NE2 no hydrogen 2.917 N/A THR 191.A OG1 GLU 204.A OE1 no hydrogen 3.497 N/A THR 191.A OG1 GLU 204.A OE2 no hydrogen 2.819 N/A GLY 192.A N VAL 203.A O no hydrogen 2.564 N/A SER 193.A N SER 29.A OG no hydrogen 3.069 N/A SER 193.A OG LEU 194.A O no hydrogen 3.067 N/A LEU 194.A N SER 200.A O no hydrogen 3.092 N/A THR 195.A OG1 GLU 101.A OE1 no hydrogen 2.746 N/A THR 196.A OG1 PRO 197.A O no hydrogen 3.555 N/A CYS 199.A N THR 196.A O no hydrogen 2.634 N/A ILE 202.A N SER 200.A O no hydrogen 2.982 N/A VAL 203.A N GLY 192.A O no hydrogen 3.151 N/A GLU 204.A N ILE 135.A O no hydrogen 3.055 N/A TRP 205.A N TYR 190.A O no hydrogen 2.963 N/A TRP 205.A NE1 SER 193.A O no hydrogen 3.227 N/A ILE 206.A N ALA 137.A O no hydrogen 2.719 N/A VAL 207.A N TYR 188.A O no hydrogen 3.378 N/A PHE 208.A N ALA 139.A O no hydrogen 3.171 N/A ARG 209.A N SER 186.A O no hydrogen 2.898 N/A VAL 212.A N PHE 141.A O no hydrogen 2.730 N/A ILE 214.A N GLN 143.A O no hydrogen 2.925 N/A SER 215.A N GLN 218.A OE1 no hydrogen 3.266 N/A SER 215.A OG ASP 148.A OD1 no hydrogen 2.518 N/A SER 215.A OG GLN 218.A OE1 no hydrogen 3.400 N/A GLN 218.A N SER 215.A OG no hydrogen 2.982 N/A GLN 218.A NE2 ASN 149.A O no hydrogen 2.689 N/A LEU 219.A N SER 215.A O no hydrogen 2.744 N/A GLU 220.A N HIS 217.A O no hydrogen 3.040 N/A ALA 221.A N GLN 218.A O no hydrogen 3.114 N/A PHE 222.A N LEU 219.A O no hydrogen 3.073 N/A TYR 223.A N GLU 220.A O no hydrogen 3.101 N/A SER 224.A OG GLU 220.A O no hydrogen 2.872 N/A PHE 226.A N VAL 163.A O no hydrogen 2.717 N/A THR 227.A N GLU 238.A O no hydrogen 2.719 N/A THR 227.A OG1 GLY 60.A O no hydrogen 2.646 N/A THR 227.A OG1 THR 228.A O no hydrogen 3.496 N/A THR 228.A N THR 227.A OG1 no hydrogen 2.624 N/A THR 228.A OG1 HIS 165.A ND1 no hydrogen 2.604 N/A GLU 229.A N SER 236.A O no hydrogen 2.900 N/A GLN 231.A N VAL 234.A O no hydrogen 3.271 N/A VAL 234.A N GLN 231.A O no hydrogen 2.917 N/A SER 236.A N GLU 229.A O no hydrogen 3.141 N/A SER 236.A OG GLU 238.A OE2 no hydrogen 3.119 N/A GLU 238.A N THR 227.A O no hydrogen 2.972 N/A LEU 240.A N ILE 225.A O no hydrogen 2.816 N/A ARG 241.A NE TYR 223.A O no hydrogen 3.386 N/A ARG 241.A NH2 TYR 223.A O no hydrogen 3.150 N/A ASN 242.A N GLY 92.A O no hydrogen 2.916 N/A ASN 243.A N ASN 243.A OD1 no hydrogen 2.603 N/A ASN 243.A ND2 LYS 61.A O no hydrogen 2.926 N/A ASN 243.A ND2 PHE 89.A O no hydrogen 3.646 N/A ARG 245.A N GLU 101.A OE2 no hydrogen 2.815 N/A ARG 245.A NH1 GLN 28.A OE1 no hydrogen 2.653 N/A ARG 245.A NH1 SER 29.A O no hydrogen 2.891 N/A ARG 245.A NH2 GLN 28.A OE1 no hydrogen 2.575 N/A GLN 247.A NE2 GLU 101.A O no hydrogen 3.188 N/A GLN 248.A N PRO 30.A O no hydrogen 2.572 N/A GLN 248.A NE2 PRO 246.A O no hydrogen 3.150 N/A ARG 253.A N HIS 251.A O no hydrogen 2.842 N/A ARG 253.A NE LEU 250.A O no hydrogen 2.857 N/A ARG 253.A NH1 GLN 28.A O no hydrogen 3.358 N/A ARG 253.A NH1 THR 191.A O no hydrogen 2.937 N/A ARG 253.A NH2 GLN 28.A O no hydrogen 3.117 N/A ARG 253.A NH2 ARG 249.A O no hydrogen 2.910 N/A SER 256.A N ARG 189.A O no hydrogen 2.907 N/A LYS 257.A NZ ASP 35.A OD1 no hydrogen 3.239 N/A SER 258.A N TYR 187.A O no hydrogen 3.215 N/A