Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8r1p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N LEU 2.A O no hydrogen 3.328 N/A GLN 5.A NE2 PRO 1.A O no hydrogen 3.053 N/A GLN 7.A N ILE 20.A O no hydrogen 2.911 N/A GLY 9.A N SER 18.A O no hydrogen 2.598 N/A LEU 12.A N VAL 16.A O no hydrogen 2.663 N/A TYR 17.A N ILE 30.A O no hydrogen 2.794 N/A SER 18.A N PRO 10.A O no hydrogen 2.853 N/A GLY 19.A N VAL 28.A O no hydrogen 2.974 N/A ILE 20.A N GLN 7.A O no hydrogen 3.064 N/A ARG 21.A N LEU 26.A O no hydrogen 2.905 N/A ARG 21.A NE ASP 24.A OD1 no hydrogen 2.972 N/A ARG 21.A NH1 ASP 24.A OD2 no hydrogen 2.811 N/A VAL 22.A N GLN 5.A O no hydrogen 3.051 N/A ASP 24.A N ARG 21.A O no hydrogen 3.129 N/A LEU 26.A N ASP 24.A OD1 no hydrogen 3.213 N/A VAL 28.A N GLY 19.A O no hydrogen 2.849 N/A ALA 29.A N LEU 84.A O no hydrogen 2.653 N/A ILE 30.A N TYR 17.A O no hydrogen 2.840 N/A LYS 31.A N LEU 82.A O no hydrogen 2.820 N/A LYS 31.A NZ GLU 53.A OE2 no hydrogen 2.572 N/A LYS 31.A NZ ASP 150.A OD1 no hydrogen 3.346 N/A HIS 32.A N SER 15.A O no hydrogen 3.043 N/A VAL 33.A N PHE 80.A O no hydrogen 2.926 N/A LYS 35.A N ASP 78.A O no hydrogen 2.817 N/A LYS 35.A NZ GLU 75.A OE2 no hydrogen 2.914 N/A LYS 35.A NZ ARG 76.A O no hydrogen 2.788 N/A LYS 35.A NZ PRO 77.A O no hydrogen 2.930 N/A ARG 37.A N GLU 34.A O no hydrogen 3.058 N/A ILE 38.A N LYS 35.A O no hydrogen 3.219 N/A GLY 42.A N VAL 50.A O no hydrogen 2.749 N/A LEU 44.A N THR 48.A O no hydrogen 3.183 N/A GLY 47.A N LEU 44.A O no hydrogen 2.698 N/A VAL 50.A N GLY 42.A O no hydrogen 2.694 N/A MET 52.A N ASP 40.A O no hydrogen 3.128 N/A VAL 54.A N PRO 51.A O no hydrogen 2.880 N/A VAL 55.A N PRO 51.A O no hydrogen 3.329 N/A LEU 56.A N MET 52.A O no hydrogen 2.846 N/A LEU 57.A N GLU 53.A O no hydrogen 2.922 N/A LYS 58.A N VAL 54.A O no hydrogen 2.983 N/A LYS 59.A N VAL 55.A O no hydrogen 3.116 N/A LYS 59.A NZ CYS 125.A O no hydrogen 3.400 N/A VAL 60.A N LEU 56.A O no hydrogen 3.221 N/A SER 61.A N LYS 58.A O no hydrogen 3.290 N/A GLY 63.A N SER 61.A O no hydrogen 2.663 N/A PHE 64.A N SER 62.A O no hydrogen 2.843 N/A SER 65.A OG GLU 145.A OE1 no hydrogen 2.850 N/A ILE 68.A N LEU 148.A O no hydrogen 2.981 N/A ARG 69.A N GLU 85.A OE1 no hydrogen 3.034 N/A LEU 71.A N ILE 83.A O no hydrogen 2.778 N/A TRP 73.A N ASP 72.A OD1 no hydrogen 2.909 N/A PHE 74.A N VAL 81.A O no hydrogen 2.923 N/A ARG 76.A N SER 79.A O no hydrogen 2.880 N/A PHE 80.A N VAL 33.A O no hydrogen 2.917 N/A VAL 81.A N PHE 74.A O no hydrogen 3.038 N/A LEU 82.A N LYS 31.A O no hydrogen 2.723 N/A ILE 83.A N ASP 72.A O no hydrogen 2.882 N/A LEU 84.A N ALA 29.A O no hydrogen 2.700 N/A GLU 85.A N ARG 69.A O no hydrogen 3.064 N/A ARG 86.A NE VAL 28.A O no hydrogen 3.019 N/A ARG 86.A NH2 GLY 19.A O no hydrogen 3.066 N/A GLN 91.A N ILE 139.A O no hydrogen 3.196 N/A GLN 91.A NE2 GLU 99.A OE2 no hydrogen 3.004 N/A LEU 93.A N ILE 137.A O no hydrogen 2.811 N/A PHE 94.A N ASP 134.A O no hydrogen 3.269 N/A ASP 95.A N ASP 92.A OD1 no hydrogen 2.715 N/A PHE 96.A N ASP 92.A O no hydrogen 3.026 N/A ILE 97.A N LEU 93.A O no hydrogen 2.892 N/A THR 98.A N PHE 94.A O no hydrogen 2.918 N/A THR 98.A OG1 PHE 94.A O no hydrogen 2.951 N/A GLU 99.A N ASP 95.A O no hydrogen 2.948 N/A ARG 100.A N PHE 96.A O no hydrogen 3.063 N/A ARG 100.A NH1 HIS 266.A O no hydrogen 3.097 N/A ARG 100.A NH2 HIS 266.A O no hydrogen 3.013 N/A GLY 101.A N ILE 97.A O no hydrogen 2.666 N/A LEU 103.A N MET 199.A O no hydrogen 2.862 N/A ALA 108.A N GLN 104.A O no hydrogen 2.949 N/A ARG 109.A N GLU 105.A O no hydrogen 2.789 N/A ARG 109.A NE TRP 252.A O no hydrogen 2.666 N/A ARG 109.A NH1 TRP 252.A O no hydrogen 3.367 N/A SER 110.A N GLU 106.A O no hydrogen 3.274 N/A SER 110.A OG THR 262.A OG1 no hydrogen 2.806 N/A PHE 111.A N LEU 107.A O no hydrogen 3.052 N/A PHE 112.A N ALA 108.A O no hydrogen 2.893 N/A TRP 113.A N ARG 109.A O no hydrogen 2.886 N/A GLN 114.A N SER 110.A O no hydrogen 2.967 N/A GLN 114.A NE2 GLY 144.A O no hydrogen 3.073 N/A VAL 115.A N PHE 111.A O no hydrogen 2.859 N/A LEU 116.A N PHE 112.A O no hydrogen 2.872 N/A GLU 117.A N TRP 113.A O no hydrogen 2.960 N/A ALA 118.A N GLN 114.A O no hydrogen 3.020 N/A VAL 119.A N VAL 115.A O no hydrogen 2.865 N/A ARG 120.A N LEU 116.A O no hydrogen 2.914 N/A ARG 120.A NH2 GLN 248.A OE1 no hydrogen 2.981 N/A HIS 121.A N GLU 117.A O no hydrogen 2.888 N/A HIS 121.A NE2 VAL 60.A O no hydrogen 2.972 N/A CYS 122.A N ALA 118.A O no hydrogen 3.017 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.443 N/A HIS 123.A N VAL 119.A O no hydrogen 2.954 N/A ASN 124.A N ARG 120.A O no hydrogen 2.846 N/A CYS 125.A N HIS 121.A O no hydrogen 3.082 N/A CYS 125.A SG LYS 59.A O no hydrogen 3.350 N/A CYS 125.A SG HIS 121.A O no hydrogen 3.341 N/A GLY 126.A N HIS 123.A O no hydrogen 2.812 N/A VAL 127.A N CYS 122.A O no hydrogen 2.899 N/A LEU 128.A N ALA 155.A O no hydrogen 2.816 N/A HIS 129.A NE2 ILE 149.A O no hydrogen 2.885 N/A ARG 130.A NE SER 153.A O no hydrogen 2.895 N/A ARG 130.A NH1 SER 153.A O no hydrogen 3.264 N/A ARG 130.A NH1 GLY 154.A O no hydrogen 3.097 N/A ARG 130.A NH1 ASP 164.A OD2 no hydrogen 3.345 N/A ARG 130.A NH2 ASP 164.A OD2 no hydrogen 3.107 N/A ARG 130.A NH2 TYR 182.A OH no hydrogen 3.176 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.025 N/A LYS 133.A NZ GLU 135.A OE1 no hydrogen 2.942 N/A LYS 133.A NZ THR 168.A OG1 no hydrogen 2.916 N/A ASN 136.A N LYS 133.A O no hydrogen 3.012 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.931 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 3.056 N/A ILE 137.A N ASP 134.A O no hydrogen 3.309 N/A LEU 138.A N LYS 147.A O no hydrogen 2.677 N/A ILE 139.A N GLN 91.A O no hydrogen 2.841 N/A ASP 140.A N GLU 145.A O no hydrogen 2.930 N/A LEU 141.A N PRO 89.A O no hydrogen 3.233 N/A ASN 142.A N ASP 140.A OD1 no hydrogen 3.077 N/A ARG 143.A N ASP 140.A OD1 no hydrogen 3.129 N/A GLY 144.A N ASP 140.A O no hydrogen 2.754 N/A LEU 146.A N GLN 114.A OE1 no hydrogen 2.687 N/A LYS 147.A N LEU 138.A O no hydrogen 2.768 N/A LYS 147.A NZ SER 65.A O no hydrogen 2.854 N/A LEU 148.A N GLY 66.A O no hydrogen 3.138 N/A ILE 149.A N ASN 136.A O no hydrogen 2.971 N/A GLY 152.A N ASP 150.A OD1 no hydrogen 3.024 N/A SER 153.A OG ASP 166.A O no hydrogen 3.280 N/A GLY 154.A N PHE 151.A O no hydrogen 2.962 N/A ALA 155.A N LEU 128.A O no hydrogen 2.938 N/A LEU 157.A N GLY 126.A O no hydrogen 2.638 N/A LYS 158.A N TYR 162.A OH no hydrogen 3.017 N/A LYS 158.A NZ VAL 161.A O no hydrogen 3.168 N/A TYR 162.A N TYR 182.A O no hydrogen 2.844 N/A TYR 162.A OH LEU 156.A O no hydrogen 2.703 N/A THR 168.A OG1 ASP 131.A OD1 no hydrogen 2.550 N/A ARG 169.A NE ASP 209.A OD1 no hydrogen 2.828 N/A ARG 169.A NE ASP 209.A OD2 no hydrogen 3.322 N/A ARG 169.A NH2 ASP 209.A OD2 no hydrogen 2.556 N/A TYR 171.A N THR 168.A O no hydrogen 3.044 N/A SER 172.A N ARG 169.A O no hydrogen 2.909 N/A SER 172.A OG ARG 169.A O no hydrogen 2.606 N/A GLU 175.A N GLU 175.A OE2 no hydrogen 2.591 N/A TRP 176.A N PRO 173.A O no hydrogen 2.925 N/A ILE 177.A N PRO 173.A O no hydrogen 3.242 N/A ARG 178.A N PRO 174.A O no hydrogen 2.818 N/A ARG 178.A NE TYR 179.A OH no hydrogen 3.317 N/A ARG 178.A NH2 TYR 179.A OH no hydrogen 2.974 N/A TYR 179.A N GLU 175.A O no hydrogen 3.015 N/A HIS 180.A N TRP 176.A O no hydrogen 3.163 N/A TYR 182.A N TYR 162.A O no hydrogen 3.225 N/A TYR 182.A OH ASP 164.A O no hydrogen 2.661 N/A ARG 185.A NH1 ASP 159.A OD1 no hydrogen 2.724 N/A ARG 185.A NH2 ASP 159.A OD1 no hydrogen 2.758 N/A ALA 187.A N HIS 183.A O no hydrogen 3.041 N/A ALA 188.A N GLY 184.A O no hydrogen 2.971 N/A VAL 189.A N ARG 185.A O no hydrogen 2.958 N/A TRP 190.A N SER 186.A O no hydrogen 3.148 N/A SER 191.A N ALA 187.A O no hydrogen 3.159 N/A SER 191.A OG ALA 188.A O no hydrogen 2.739 N/A LEU 192.A N ALA 188.A O no hydrogen 2.875 N/A GLY 193.A N VAL 189.A O no hydrogen 2.876 N/A ILE 194.A N TRP 190.A O no hydrogen 3.025 N/A LEU 195.A N SER 191.A O no hydrogen 2.923 N/A LEU 196.A N LEU 192.A O no hydrogen 2.854 N/A TYR 197.A N GLY 193.A O no hydrogen 3.041 N/A TYR 197.A OH PHE 218.A O no hydrogen 2.580 N/A ASP 198.A N ILE 194.A O no hydrogen 2.868 N/A MET 199.A N LEU 195.A O no hydrogen 2.951 N/A VAL 200.A N LEU 196.A O no hydrogen 3.067 N/A CYS 201.A N TYR 197.A O no hydrogen 2.843 N/A GLY 202.A N ASP 198.A O no hydrogen 3.014 N/A ILE 204.A N ASP 203.A OD1 no hydrogen 2.582 N/A GLU 207.A N GLU 211.A OE1 no hydrogen 2.738 N/A HIS 208.A N GLU 211.A OE1 no hydrogen 2.951 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.444 N/A ILE 212.A N HIS 208.A O no hydrogen 3.111 N/A ILE 213.A N ASP 209.A O no hydrogen 3.103 N/A GLY 214.A N GLU 211.A O no hydrogen 3.178 N/A ARG 220.A NE TYR 197.A OH no hydrogen 2.951 N/A SER 224.A N GLU 105.A OE1 no hydrogen 2.740 N/A SER 224.A OG GLU 105.A OE1 no hydrogen 3.115 N/A SER 224.A OG GLU 105.A OE2 no hydrogen 2.623 N/A CYS 226.A N SER 224.A OG no hydrogen 3.388 N/A GLN 227.A N SER 224.A O no hydrogen 2.902 N/A GLN 227.A NE2 VAL 223.A O no hydrogen 3.530 N/A HIS 228.A ND1 HIS 250.A NE2 no hydrogen 2.830 N/A LEU 229.A N GLU 225.A O no hydrogen 3.057 N/A ILE 230.A N CYS 226.A O no hydrogen 2.976 N/A ARG 231.A N GLN 227.A O no hydrogen 2.846 N/A ARG 231.A NH1 VAL 217.A O no hydrogen 2.745 N/A ARG 231.A NH1 GLN 227.A OE1 no hydrogen 3.563 N/A ARG 231.A NH2 GLN 227.A OE1 no hydrogen 2.703 N/A TRP 232.A N HIS 228.A O no hydrogen 2.842 N/A TRP 232.A NE1 ASP 240.A O no hydrogen 2.986 N/A CYS 233.A N LEU 229.A O no hydrogen 2.961 N/A CYS 233.A SG LEU 229.A O no hydrogen 3.453 N/A LEU 234.A N ILE 230.A O no hydrogen 2.955 N/A ALA 235.A N TRP 232.A O no hydrogen 3.132 N/A ASP 240.A N ARG 237.A O no hydrogen 2.992 N/A ARG 241.A N PRO 238.A O no hydrogen 3.043 N/A ARG 241.A NE ALA 235.A O no hydrogen 2.838 N/A ARG 241.A NH1 GLU 175.A OE1 no hydrogen 3.394 N/A ARG 241.A NH1 GLU 175.A OE2 no hydrogen 2.820 N/A ARG 241.A NH1 ALA 235.A O no hydrogen 3.217 N/A ARG 241.A NH2 GLU 175.A OE1 no hydrogen 2.837 N/A ARG 241.A NH2 SER 186.A O no hydrogen 2.865 N/A THR 243.A N GLU 246.A OE2 no hydrogen 2.966 N/A GLU 246.A N THR 243.A OG1 no hydrogen 2.949 N/A ILE 247.A N THR 243.A O no hydrogen 2.916 N/A GLN 248.A N PHE 244.A O no hydrogen 2.995 N/A GLN 248.A NE2 GLU 117.A OE1 no hydrogen 2.860 N/A ASN 249.A N GLU 245.A O no hydrogen 2.926 N/A HIS 250.A N ILE 247.A O no hydrogen 3.116 N/A HIS 250.A NE2 HIS 228.A ND1 no hydrogen 2.830 N/A TRP 252.A N HIS 250.A ND1 no hydrogen 2.983 N/A TRP 252.A NE1 GLU 105.A OE2 no hydrogen 2.867 N/A MET 253.A N HIS 250.A O no hydrogen 2.981 N/A GLN 254.A N PRO 251.A O no hydrogen 3.349 N/A GLN 254.A NE2 GLN 248.A O no hydrogen 3.193 N/A GLN 254.A NE2 HIS 250.A O no hydrogen 3.146 N/A LEU 258.A N GLU 261.A OE1 no hydrogen 2.775 N/A THR 262.A N LEU 258.A O no hydrogen 2.904 N/A THR 262.A OG1 SER 110.A OG no hydrogen 2.806 N/A THR 262.A OG1 LEU 258.A O no hydrogen 2.774 N/A ALA 263.A N PRO 259.A O no hydrogen 2.881 N/A GLU 264.A N GLN 260.A O no hydrogen 2.889 N/A ILE 265.A N GLU 261.A O no hydrogen 2.868 N/A HIS 266.A N THR 262.A O no hydrogen 2.965 N/A HIS 266.A NE2 GLU 106.A OE1 no hydrogen 2.755 N/A LEU 267.A N ALA 263.A O no hydrogen 3.022 N/A