Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x3f_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N LEU 14.A O no hydrogen 2.918 N/A VAL 6.A N ARG 3.A O no hydrogen 3.322 N/A LEU 8.A N TYR 12.A O no hydrogen 2.757 N/A SER 9.A OG TYR 89.A OH no hydrogen 2.771 N/A GLY 10.A N THR 7.A O no hydrogen 3.303 N/A ARG 11.A N LEU 8.A O no hydrogen 3.081 N/A ARG 11.A NE ASP 31.A OD1 no hydrogen 2.797 N/A ARG 11.A NE ASP 31.A OD2 no hydrogen 3.387 N/A ARG 11.A NH2 ASP 31.A OD1 no hydrogen 3.506 N/A ARG 11.A NH2 ASP 31.A OD2 no hydrogen 3.141 N/A TYR 12.A N LEU 8.A O no hydrogen 3.093 N/A TYR 12.A OH ASP 77.A OD2 no hydrogen 2.727 N/A ARG 13.A N VAL 30.A O no hydrogen 2.980 N/A ARG 13.A NH1 GLN 15.A OE1 no hydrogen 3.263 N/A ARG 13.A NH2 GLN 15.A OE1 no hydrogen 2.792 N/A LEU 14.A N VAL 6.A O no hydrogen 3.095 N/A GLN 15.A N GLU 28.A O no hydrogen 2.868 N/A GLN 15.A NE2 GLU 28.A OE2 no hydrogen 3.067 N/A ARG 16.A N GLU 28.A O no hydrogen 3.362 N/A ILE 18.A N VAL 26.A O no hydrogen 2.754 N/A ALA 19.A N VAL 26.A O no hydrogen 3.162 N/A GLY 21.A N GLY 24.A O no hydrogen 2.989 N/A GLN 25.A N VAL 42.A O no hydrogen 2.999 N/A VAL 26.A N ALA 19.A O no hydrogen 2.928 N/A TRP 27.A N VAL 40.A O no hydrogen 2.747 N/A GLU 28.A N ARG 16.A O no hydrogen 2.713 N/A ALA 29.A N VAL 38.A O no hydrogen 2.957 N/A VAL 30.A N ARG 13.A O no hydrogen 2.858 N/A ASP 31.A N ARG 36.A O no hydrogen 2.951 N/A ASN 32.A N ARG 11.A O no hydrogen 2.763 N/A ASN 32.A ND2 GLY 10.A O no hydrogen 2.984 N/A LEU 34.A N ASP 31.A OD1 no hydrogen 3.286 N/A GLY 35.A N ASP 31.A O no hydrogen 2.847 N/A VAL 38.A N ALA 29.A O no hydrogen 2.844 N/A ALA 39.A N MET 92.A O no hydrogen 3.021 N/A VAL 40.A N TRP 27.A O no hydrogen 2.807 N/A LYS 41.A N LEU 90.A O no hydrogen 2.935 N/A VAL 42.A N GLN 25.A O no hydrogen 2.826 N/A LEU 43.A N ALA 88.A O no hydrogen 3.044 N/A LYS 44.A N MET 23.A O no hydrogen 3.010 N/A SER 48.A OG LYS 44.A O no hydrogen 3.284 N/A SER 49.A N SER 45.A O no hydrogen 2.981 N/A ASP 50.A N PHE 47.A O no hydrogen 3.108 N/A GLU 55.A N PRO 51.A O no hydrogen 3.393 N/A ARG 56.A N GLU 52.A O no hydrogen 3.505 N/A PHE 57.A N PHE 53.A O no hydrogen 2.807 N/A ARG 58.A N ILE 54.A O no hydrogen 3.305 N/A ARG 58.A NE GLU 80.A OE2 no hydrogen 3.144 N/A ARG 58.A NH2 GLU 80.A OE1 no hydrogen 2.827 N/A ALA 59.A N GLU 55.A O no hydrogen 3.333 N/A GLU 60.A N ARG 56.A O no hydrogen 3.035 N/A ALA 61.A N PHE 57.A O no hydrogen 2.777 N/A ARG 62.A N ARG 58.A O no hydrogen 2.990 N/A THR 63.A N ALA 59.A O no hydrogen 3.431 N/A THR 63.A OG1 ALA 59.A O no hydrogen 3.196 N/A THR 63.A OG1 GLU 60.A O no hydrogen 2.928 N/A THR 64.A N GLU 60.A O no hydrogen 3.080 N/A THR 64.A OG1 GLU 60.A O no hydrogen 2.598 N/A ALA 65.A N ALA 61.A O no hydrogen 2.908 N/A MET 66.A N ARG 62.A O no hydrogen 3.198 N/A LEU 67.A N THR 64.A O no hydrogen 3.273 N/A GLY 71.A N HIS 69.A ND1 no hydrogen 3.101 N/A ILE 72.A N HIS 69.A O no hydrogen 3.300 N/A ALA 73.A N ILE 154.A O no hydrogen 3.020 N/A SER 74.A N GLU 93.A OE1 no hydrogen 3.110 N/A SER 74.A OG GLU 93.A OE1 no hydrogen 3.516 N/A HIS 76.A N VAL 91.A O no hydrogen 2.874 N/A ASP 77.A N VAL 91.A O no hydrogen 3.376 N/A TYR 78.A N ASP 77.A OD1 no hydrogen 2.764 N/A GLY 79.A N TYR 89.A O no hydrogen 3.054 N/A SER 81.A N THR 87.A O no hydrogen 3.082 N/A THR 87.A N SER 81.A O no hydrogen 3.190 N/A THR 87.A OG1 SER 81.A O no hydrogen 3.382 N/A ALA 88.A N SER 48.A OG no hydrogen 3.194 N/A TYR 89.A N GLY 79.A O no hydrogen 2.849 N/A TYR 89.A OH SER 9.A OG no hydrogen 2.771 N/A LEU 90.A N LYS 41.A O no hydrogen 3.104 N/A VAL 91.A N ASP 77.A O no hydrogen 2.849 N/A MET 92.A N ALA 39.A O no hydrogen 2.777 N/A GLU 93.A N SER 74.A O no hydrogen 2.789 N/A GLU 98.A N ILE 146.A O no hydrogen 2.902 N/A LEU 100.A N ILE 144.A O no hydrogen 2.846 N/A SER 102.A N PRO 99.A O no hydrogen 3.062 N/A SER 102.A OG GLU 98.A OE2 no hydrogen 2.647 N/A VAL 103.A N PRO 99.A O no hydrogen 3.350 N/A LEU 104.A N LEU 100.A O no hydrogen 2.937 N/A LYS 105.A N ASN 101.A O no hydrogen 3.029 N/A ARG 106.A N SER 102.A O no hydrogen 3.319 N/A ARG 106.A N VAL 103.A O no hydrogen 3.223 N/A ARG 106.A NE GLU 98.A OE2 no hydrogen 3.184 N/A ARG 106.A NH2 GLU 98.A OE1 no hydrogen 3.008 N/A ARG 106.A NH2 GLU 98.A OE2 no hydrogen 3.196 N/A THR 107.A N VAL 103.A O no hydrogen 2.893 N/A THR 107.A OG1 VAL 103.A O no hydrogen 2.848 N/A GLY 108.A N LEU 104.A O no hydrogen 2.858 N/A LEU 110.A N ALA 195.A O no hydrogen 2.901 N/A ALA 115.A N SER 111.A O no hydrogen 2.885 N/A LEU 116.A N LEU 112.A O no hydrogen 3.019 N/A ASP 117.A N ARG 113.A O no hydrogen 3.201 N/A MET 118.A N HIS 114.A O no hydrogen 3.203 N/A LEU 119.A N ALA 115.A O no hydrogen 3.276 N/A GLU 120.A N LEU 116.A O no hydrogen 3.083 N/A GLN 121.A N ASP 117.A O no hydrogen 3.130 N/A GLN 121.A NE2 ASP 117.A OD1 no hydrogen 3.389 N/A GLN 121.A NE2 GLY 150.A O no hydrogen 3.616 N/A THR 122.A N MET 118.A O no hydrogen 2.888 N/A THR 122.A OG1 MET 118.A O no hydrogen 2.582 N/A GLY 123.A N LEU 119.A O no hydrogen 2.942 N/A ARG 124.A N GLU 120.A O no hydrogen 2.908 N/A ARG 124.A NH1 GLU 120.A OE2 no hydrogen 2.807 N/A ALA 125.A N GLN 121.A O no hydrogen 3.052 N/A LEU 126.A N THR 122.A O no hydrogen 2.892 N/A GLN 127.A N GLY 123.A O no hydrogen 2.956 N/A HIS 130.A N LEU 126.A O no hydrogen 2.862 N/A HIS 130.A NE2 ASP 184.A OD2 no hydrogen 2.814 N/A ALA 131.A N GLN 127.A O no hydrogen 2.775 N/A ALA 132.A N ILE 128.A O no hydrogen 3.309 N/A GLY 133.A N HIS 130.A O no hydrogen 3.233 N/A LEU 134.A N ALA 129.A O no hydrogen 2.889 N/A HIS 136.A N ASP 184.A OD2 no hydrogen 2.810 N/A HIS 136.A NE2 THR 155.A O no hydrogen 2.797 N/A ARG 137.A N ASP 184.A OD1 no hydrogen 3.014 N/A ARG 137.A NH1 GLU 60.A OE2 no hydrogen 2.889 N/A ARG 137.A NH1 GLY 158.A O no hydrogen 2.934 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.234 N/A ASN 143.A N LYS 140.A O no hydrogen 2.960 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.820 N/A ILE 144.A N PRO 141.A O no hydrogen 3.175 N/A LEU 145.A N LYS 153.A O no hydrogen 2.906 N/A ILE 146.A N GLU 98.A O no hydrogen 2.765 N/A THR 147.A N GLN 151.A O no hydrogen 2.901 N/A THR 147.A OG1 THR 149.A OG1 no hydrogen 3.132 N/A THR 147.A OG1 GLN 151.A O no hydrogen 2.943 N/A THR 149.A OG1 THR 147.A OG1 no hydrogen 3.132 N/A GLY 150.A N THR 147.A O no hydrogen 3.095 N/A VAL 152.A N GLN 121.A OE1 no hydrogen 2.807 N/A LYS 153.A N LEU 145.A O no hydrogen 2.821 N/A LYS 153.A NZ PRO 70.A O no hydrogen 3.285 N/A ILE 154.A N GLY 71.A O no hydrogen 2.957 N/A THR 155.A N ASN 143.A O no hydrogen 2.895 N/A THR 155.A OG1 ASN 143.A O no hydrogen 3.470 N/A THR 155.A OG1 ASP 156.A OD2 no hydrogen 3.274 N/A GLY 158.A N HIS 136.A O no hydrogen 2.819 N/A ILE 159.A N PHE 157.A O no hydrogen 2.908 N/A THR 165.A N VAL 162.A O no hydrogen 3.143 N/A ALA 166.A N VAL 162.A O no hydrogen 3.146 N/A GLN 167.A N MET 163.A O no hydrogen 2.930 N/A TYR 168.A OH GLU 194.A OE1 no hydrogen 2.604 N/A ALA 170.A N GLN 173.A OE1 no hydrogen 3.309 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.772 N/A GLN 173.A NE2 ARG 137.A O no hydrogen 3.080 N/A ALA 174.A N ALA 170.A O no hydrogen 3.011 N/A LEU 175.A N PRO 171.A O no hydrogen 2.952 N/A GLY 176.A N GLN 173.A O no hydrogen 3.043 N/A HIS 177.A N GLU 172.A O no hydrogen 2.841 N/A SER 180.A N SER 183.A OG no hydrogen 3.080 N/A SER 183.A N SER 180.A O no hydrogen 2.827 N/A SER 183.A OG GLU 172.A OE2 no hydrogen 2.600 N/A SER 183.A OG SER 180.A O no hydrogen 3.247 N/A VAL 185.A N PRO 181.A O no hydrogen 3.188 N/A TYR 186.A N ALA 182.A O no hydrogen 3.007 N/A TYR 186.A OH HIS 213.A ND1 no hydrogen 2.879 N/A SER 187.A N SER 183.A O no hydrogen 2.984 N/A SER 187.A OG TYR 168.A O no hydrogen 2.679 N/A SER 187.A OG SER 183.A O no hydrogen 3.207 N/A LEU 188.A N ASP 184.A O no hydrogen 2.872 N/A GLY 189.A N VAL 185.A O no hydrogen 2.999 N/A VAL 190.A N TYR 186.A O no hydrogen 3.012 N/A VAL 191.A N SER 187.A O no hydrogen 3.024 N/A GLY 192.A N LEU 188.A O no hydrogen 2.787 N/A TYR 193.A N GLY 189.A O no hydrogen 2.718 N/A TYR 193.A OH PRO 219.A O no hydrogen 2.711 N/A GLU 194.A N VAL 190.A O no hydrogen 3.122 N/A ALA 195.A N VAL 191.A O no hydrogen 2.899 N/A VAL 196.A N GLY 192.A O no hydrogen 3.018 N/A SER 197.A N TYR 193.A O no hydrogen 3.034 N/A SER 197.A OG TYR 193.A O no hydrogen 2.761 N/A GLY 198.A N GLU 194.A O no hydrogen 2.786 N/A LYS 199.A N SER 197.A OG no hydrogen 3.221 N/A ARG 200.A NH1 TYR 168.A OH no hydrogen 2.854 N/A ALA 210.A N ALA 207.A O no hydrogen 2.908 N/A MET 211.A N LEU 208.A O no hydrogen 3.032 N/A LYS 212.A NZ ALA 203.A O no hydrogen 2.781 N/A HIS 213.A N VAL 209.A O no hydrogen 3.193 N/A HIS 213.A ND1 TYR 186.A OH no hydrogen 2.879 N/A HIS 213.A NE2 GLN 167.A O no hydrogen 3.213 N/A ILE 214.A N MET 211.A O no hydrogen 3.127 N/A LYS 215.A N MET 211.A O no hydrogen 2.863 N/A LEU 225.A N PRO 222.A O no hydrogen 3.327 N/A ARG 230.A N PRO 226.A O no hydrogen 3.103 N/A ARG 230.A NH2 PRO 222.A O no hydrogen 2.921 N/A GLU 231.A N PRO 227.A O no hydrogen 2.911 N/A LEU 232.A N ASN 228.A O no hydrogen 3.168 N/A ILE 233.A N VAL 229.A O no hydrogen 3.300 N/A GLU 234.A N ARG 230.A O no hydrogen 3.161 N/A ILE 235.A N GLU 231.A O no hydrogen 2.923 N/A THR 236.A OG1 ILE 233.A O no hydrogen 2.815 N/A LEU 237.A N GLU 234.A O no hydrogen 3.317 N/A LYS 239.A NZ HIS 213.A O no hydrogen 2.757 N/A LYS 239.A NZ GLU 216.A O no hydrogen 2.816 N/A ALA 242.A N ASN 240.A OD1 no hydrogen 3.201 N/A MET 243.A N ASN 240.A O no hydrogen 3.048 N/A ARG 244.A N PRO 241.A O no hydrogen 3.437 N/A ARG 244.A NE ALA 182.A O no hydrogen 2.983 N/A ARG 244.A NH1 VAL 238.A O no hydrogen 2.654 N/A ARG 244.A NH1 LYS 239.A O no hydrogen 3.560 N/A ARG 244.A NH2 GLU 172.A OE1 no hydrogen 3.002 N/A ARG 244.A NH2 ALA 182.A O no hydrogen 3.163 N/A TYR 245.A OH PRO 265.A O no hydrogen 2.838 N/A SER 247.A OG GLN 127.A OE1 no hydrogen 2.765 N/A GLY 248.A N HIS 130.A ND1 no hydrogen 3.164 N/A GLY 249.A N GLN 127.A OE1 no hydrogen 2.741 N/A ALA 252.A N GLY 248.A O no hydrogen 2.817 N/A ASP 253.A N GLY 249.A O no hydrogen 2.906 N/A ALA 254.A N PRO 250.A O no hydrogen 3.104 N/A VAL 255.A N PHE 251.A O no hydrogen 2.925 N/A ALA 256.A N ALA 252.A O no hydrogen 2.984 N/A ALA 257.A N ASP 253.A O no hydrogen 3.171 N/A VAL 258.A N ALA 254.A O no hydrogen 3.155 N/A ARG 259.A N VAL 255.A O no hydrogen 2.917 N/A ARG 259.A NE GLU 120.A OE1 no hydrogen 3.091 N/A ARG 259.A NH2 ASP 117.A OD1 no hydrogen 3.215 N/A ARG 259.A NH2 GLU 120.A OE1 no hydrogen 2.760 N/A ALA 260.A N ALA 256.A O no hydrogen 3.086 N/A GLY 261.A N ALA 257.A O no hydrogen 3.124 N/A GLY 261.A N VAL 258.A O no hydrogen 2.954 N/A ARG 262.A N ALA 257.A O no hydrogen 2.863 N/A ARG 263.A NE GLU 231.A OE1 no hydrogen 3.366 N/A ARG 263.A NE GLU 231.A OE2 no hydrogen 2.763 N/A ARG 263.A NH2 GLU 231.A OE1 no hydrogen 2.840 N/A THR 270.A OG1 ALA 242.A O no hydrogen 3.029 N/A