Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ln3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG.B GLN 1.A O no hydrogen 3.843 N/A VAL 4.A N ILE 11.A O no hydrogen 2.865 N/A ASN 6.A ND2 PRO 161.A O no hydrogen 3.034 N/A ASN 6.A ND2 ASP 183.A O no hydrogen 2.950 N/A GLY 8.A N LEU 5.A O no hydrogen 2.882 N/A HIS 9.A N ASP 7.A OD1 no hydrogen 2.993 N/A ILE 11.A N VAL 4.A O no hydrogen 2.911 N/A ALA 13.A N HIS 2.A O no hydrogen 2.863 N/A GLY 15.A N PRO 236.A O no hydrogen 2.985 N/A PHE 16.A N HIS 39.A O no hydrogen 2.866 N/A GLY 17.A N ALA 238.A O no hydrogen 3.196 N/A THR 18.A OG1 ASP 41.A O no hydrogen 2.659 N/A THR 18.A OG1 THR 42.A OG1 no hydrogen 2.867 N/A TYR 19.A OH GLU 198.A OE2 no hydrogen 2.622 N/A VAL 22.A N PRO 20.A O no hydrogen 2.926 N/A GLU 27.A N SER 24.A O no hydrogen 2.963 N/A ALA 29.A N SER 25.A O no hydrogen 3.035 N/A CYS 30.A N LEU 26.A O no hydrogen 2.969 N/A CYS 30.A SG LEU 26.A O no hydrogen 3.405 N/A LEU 31.A N GLU 27.A O no hydrogen 2.937 N/A ALA 32.A N ALA 28.A O no hydrogen 2.867 N/A LEU 33.A N ALA 29.A O no hydrogen 3.154 N/A ASP 34.A N CYS 30.A O no hydrogen 3.182 N/A VAL 35.A N LEU 31.A O no hydrogen 2.849 N/A GLY 36.A N ALA 32.A O no hydrogen 3.043 N/A TYR 37.A N ALA 32.A O no hydrogen 2.970 N/A ARG 38.A NH1 LEU 33.A O no hydrogen 2.953 N/A ARG 38.A NH1 TYR 37.A O no hydrogen 2.873 N/A HIS 39.A ND1 PRO 12.A O no hydrogen 2.939 N/A VAL 40.A N.A PHE 68.A O no hydrogen 2.916 N/A VAL 40.A N.B PHE 68.A O no hydrogen 2.892 N/A ASP 41.A N PHE 16.A O no hydrogen 2.909 N/A THR 42.A N THR 70.A O no hydrogen 2.894 N/A THR 42.A OG1 THR 18.A OG1 no hydrogen 2.867 N/A TYR 44.A N LYS 72.A O no hydrogen 3.336 N/A TYR 46.A N ALA 43.A O no hydrogen 3.139 N/A GLN 47.A N.A TYR 44.A O no hydrogen 3.324 N/A GLN 47.A N.B TYR 44.A O no hydrogen 3.274 N/A GLN 47.A NE2.B ASP 109.A OD2 no hydrogen 2.891 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.849 N/A ILE 52.A N VAL 48.A O no hydrogen 2.966 N/A GLY 53.A N GLU 49.A O no hydrogen 2.873 N/A GLN 54.A N GLU 50.A O no hydrogen 2.928 N/A ALA 55.A N GLU 51.A O no hydrogen 2.908 N/A ILE 56.A N ILE 52.A O no hydrogen 2.978 N/A GLN 57.A N GLY 53.A O no hydrogen 2.946 N/A SER 58.A N GLN 54.A O no hydrogen 2.974 N/A SER 58.A OG GLN 54.A O no hydrogen 3.038 N/A SER 58.A OG ALA 55.A O no hydrogen 3.171 N/A GLY 61.A N ILE 59.A O no hydrogen 3.001 N/A ARG 64.A NH1 ARG 64.A O no hydrogen 3.018 N/A ARG 64.A NH1 LEU 67.A O no hydrogen 3.022 N/A ARG 64.A NH1 ASP 96.A OD2 no hydrogen 3.005 N/A ARG 64.A NH2 TYR 94.A O no hydrogen 2.902 N/A ARG 64.A NH2 ASP 96.A OD2 no hydrogen 2.893 N/A LEU 67.A N ARG 64.A O no hydrogen 3.030 N/A PHE 68.A N ARG 38.A O.A no hydrogen 2.861 N/A PHE 68.A N ARG 38.A O.B no hydrogen 2.737 N/A VAL 69.A N ASP 96.A OD2 no hydrogen 2.860 N/A THR 70.A N VAL 40.A O.A no hydrogen 3.017 N/A THR 70.A N VAL 40.A O.B no hydrogen 2.948 N/A THR 71.A N LEU 97.A O no hydrogen 3.013 N/A THR 71.A OG1 GLU 49.A OE2 no hydrogen 2.676 N/A LYS 72.A N THR 71.A OG1 no hydrogen 2.807 N/A LYS 72.A NZ ASP 41.A OD1 no hydrogen 3.469 N/A LYS 72.A NZ ASP 41.A OD2 no hydrogen 2.660 N/A LYS 72.A NZ THR 42.A O no hydrogen 2.955 N/A LYS 72.A NZ TYR 46.A OH no hydrogen 3.046 N/A LEU 73.A N ILE 99.A O no hydrogen 2.864 N/A TRP 74.A NE1 ASP 109.A O no hydrogen 2.839 N/A CYS 75.A SG VAL 103.A O no hydrogen 3.277 N/A CYS 77.A N TRP 74.A O no hydrogen 2.855 N/A CYS 77.A SG THR 76.A OG1 no hydrogen 3.741 N/A ARG 79.A NE ASP 120.A OD2 no hydrogen 2.871 N/A ARG 79.A NH2 ASP 120.A OD1 no hydrogen 3.021 N/A ARG 79.A NH2 ASP 120.A OD2 no hydrogen 3.476 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.814 N/A LEU 82.A N ARG 79.A O no hydrogen 2.841 N/A VAL 83.A N PRO 80.A O no hydrogen 3.284 N/A ALA 85.A N LEU 82.A O no hydrogen 2.996 N/A LEU 86.A N VAL 83.A O no hydrogen 2.990 N/A SER 88.A OG GLU 49.A OE1 no hydrogen 2.911 N/A SER 88.A OG GLU 49.A OE2 no hydrogen 2.867 N/A SER 88.A OG ALA 85.A O no hydrogen 3.528 N/A LEU 89.A N LEU 86.A O no hydrogen 2.810 N/A LEU 92.A N LEU 89.A O no hydrogen 3.083 N/A VAL 95.A N LEU 138.A O no hydrogen 3.143 N/A ASP 96.A N VAL 69.A O no hydrogen 2.885 N/A LEU 97.A N VAL 69.A O no hydrogen 3.168 N/A TYR 98.A N SER 140.A O no hydrogen 3.063 N/A ILE 99.A N THR 71.A O no hydrogen 3.173 N/A PHE 110.A N ASN 108.A OD1 no hydrogen 2.969 N/A GLY 116.A N ASN 113.A O no hydrogen 2.901 N/A SER 117.A OG PHE 274.A O no hydrogen 3.383 N/A LEU 118.A N PRO 111.A O no hydrogen 2.965 N/A ASP 120.A N PRO 104.A O no hydrogen 3.040 N/A THR 121.A N ASP 120.A OD1 no hydrogen 2.895 N/A CYS 125.A N ASP 123.A OD1 no hydrogen 2.905 N/A ASP 126.A N ASP 123.A O no hydrogen 2.884 N/A THR 127.A N ASP 123.A O no hydrogen 3.345 N/A THR 127.A OG1 PHE 78.A O no hydrogen 2.767 N/A TRP 128.A N PHE 124.A O no hydrogen 2.843 N/A TRP 128.A NE1 TYR 160.A O no hydrogen 2.929 N/A GLU 129.A N CYS 125.A O no hydrogen 3.054 N/A LEU 131.A N THR 127.A O no hydrogen 3.142 N/A GLU 132.A N TRP 128.A O no hydrogen 2.931 N/A GLU 133.A N GLU 129.A O no hydrogen 3.098 N/A CYS 134.A N ARG 130.A O no hydrogen 2.954 N/A CYS 134.A SG ARG 130.A O no hydrogen 3.355 N/A ALA 136.A N GLU 133.A O no hydrogen 2.969 N/A LEU 138.A N CYS 134.A O no hydrogen 3.163 N/A SER 140.A OG ASP 7.A OD1 no hydrogen 3.529 N/A SER 140.A OG ASP 7.A OD2 no hydrogen 2.609 N/A GLY 142.A N TYR 98.A O no hydrogen 3.146 N/A VAL 143.A N CYS 163.A O no hydrogen 3.075 N/A SER 144.A OG HIS 100.A O no hydrogen 3.478 N/A SER 144.A OG GLN 165.A O no hydrogen 2.720 N/A ASN 145.A N GLN 165.A O no hydrogen 2.844 N/A ASN 145.A ND2 HIS 100.A O no hydrogen 2.883 N/A PHE 146.A N ASN 164.A OD1 no hydrogen 3.243 N/A ASN 147.A N GLN 150.A OE1 no hydrogen 2.876 N/A ASN 147.A ND2 PRO 282.A O no hydrogen 3.037 N/A ASN 147.A ND2 GLU 285.A OE1.B no hydrogen 2.937 N/A HIS 148.A N TYR 287.A O no hydrogen 2.911 N/A HIS 148.A ND1 TYR 287.A OXT no hydrogen 2.769 N/A ARG 149.A NE GLU 285.A OE1.B no hydrogen 3.375 N/A ARG 149.A NE GLU 285.A OE2.B no hydrogen 2.822 N/A ARG 149.A NH1 GLU 280.A OE1 no hydrogen 2.931 N/A ARG 149.A NH2 GLU 280.A OE1 no hydrogen 3.359 N/A ARG 149.A NH2 GLU 285.A OE1.B no hydrogen 2.768 N/A GLN 150.A N ASN 147.A OD1 no hydrogen 2.972 N/A GLN 150.A NE2 GLU 280.A O no hydrogen 2.879 N/A GLN 150.A NE2 GLU 280.A OE1 no hydrogen 2.960 N/A LEU 151.A N ASN 147.A O no hydrogen 3.013 N/A GLU 152.A N HIS 148.A O no hydrogen 2.877 N/A ARG 153.A N ARG 149.A O no hydrogen 3.024 N/A ARG 153.A NH1.A ASP 123.A OD1 no hydrogen 3.297 N/A ARG 153.A NH2.A GLU 280.A OE2 no hydrogen 2.822 N/A ILE 154.A N GLN 150.A O no hydrogen 3.245 N/A LEU 155.A N LEU 151.A O no hydrogen 2.941 N/A ASN 156.A N GLU 152.A O no hydrogen 2.876 N/A ASN 156.A ND2 GLU 152.A OE1 no hydrogen 2.971 N/A TYR 160.A OH ASP 135.A OD1 no hydrogen 2.546 N/A VAL 162.A N ILE 141.A O no hydrogen 2.942 N/A CYS 163.A SG VAL 143.A O no hydrogen 4.000 N/A ASN 164.A N VAL 185.A O no hydrogen 2.953 N/A ASN 164.A ND2 PHE 146.A O no hydrogen 2.866 N/A GLN 165.A N VAL 143.A O no hydrogen 2.925 N/A GLN 165.A NE2 ASP 41.A OD1 no hydrogen 2.891 N/A VAL 166.A N VAL 187.A O no hydrogen 2.875 N/A CYS 168.A N TYR 189.A O no hydrogen 3.067 N/A CYS 168.A SG LEU 172.A O no hydrogen 3.669 N/A CYS 168.A SG ASN 173.A O no hydrogen 3.583 N/A HIS 169.A N LEU 172.A O no hydrogen 3.141 N/A HIS 169.A NE2 GLU 167.A OE2 no hydrogen 2.759 N/A TYR 171.A N HIS 169.A ND1 no hydrogen 3.077 N/A TYR 171.A OH ASP 210.A OD2 no hydrogen 2.654 N/A LEU 172.A N HIS 169.A O no hydrogen 2.947 N/A ASN 173.A N ASN 265.A OD1 no hydrogen 2.957 N/A GLN 174.A NE2 GLU 167.A O no hydrogen 2.835 N/A ARG 175.A N ASN 173.A OD1 no hydrogen 3.118 N/A LEU 177.A N GLN 174.A O no hydrogen 2.785 N/A ASP 178.A N ARG 175.A O no hydrogen 2.984 N/A TYR 179.A OH GLU 152.A OE2 no hydrogen 2.581 N/A CYS 180.A N LEU 176.A O no hydrogen 2.838 N/A CYS 180.A SG LEU 176.A O no hydrogen 3.374 N/A GLU 181.A N LEU 177.A O no hydrogen 2.830 N/A SER 182.A N ASP 178.A O no hydrogen 3.078 N/A SER 182.A OG TYR 179.A O no hydrogen 2.662 N/A ILE 184.A N CYS 180.A O no hydrogen 2.911 N/A VAL 185.A N VAL 162.A O no hydrogen 3.048 N/A VAL 187.A N ASN 164.A O no hydrogen 3.276 N/A ALA 188.A N VAL 235.A O no hydrogen 2.879 N/A TYR 189.A N VAL 166.A O no hydrogen 2.949 N/A TYR 189.A OH ASN 145.A OD1 no hydrogen 2.606 N/A GLY 193.A N GLY 190.A O no hydrogen 2.863 N/A THR 194.A OG1 GLY 193.A O no hydrogen 2.658 N/A GLN 195.A NE2 TYR 19.A O no hydrogen 3.201 N/A ARG 196.A N THR 194.A OG1 no hydrogen 2.874 N/A ARG 196.A NH1 SER 204.A O no hydrogen 3.202 N/A ARG 196.A NH1 PRO 205.A O no hydrogen 3.042 N/A ARG 196.A NH2 SER 204.A O no hydrogen 2.828 N/A TRP 199.A N TYR 197.A O no hydrogen 3.053 N/A VAL 200.A N TYR 197.A O no hydrogen 2.849 N/A ASN 203.A N ASP 201.A OD1 no hydrogen 2.898 N/A SER 204.A N ASP 201.A O no hydrogen 3.026 N/A SER 204.A OG.A ASP 201.A O no hydrogen 2.813 N/A SER 204.A OG.B ASP 201.A O no hydrogen 2.702 N/A ASN 209.A N VAL 206.A O no hydrogen 2.950 N/A ASP 210.A N LEU 207.A O no hydrogen 2.976 N/A LEU 213.A N ASP 210.A OD1 no hydrogen 3.013 N/A CYS 214.A N ASP 210.A O no hydrogen 2.947 N/A CYS 214.A SG.A LEU 208.A O no hydrogen 3.425 N/A CYS 214.A SG.A ASP 210.A O no hydrogen 3.289 N/A ASP 215.A N PRO 211.A O no hydrogen 3.028 N/A VAL 216.A N VAL 212.A O no hydrogen 2.940 N/A ALA 217.A N LEU 213.A O no hydrogen 2.867 N/A ASN 218.A ND2 VAL 216.A O no hydrogen 2.866 N/A ASN 218.A ND2 ASP 259.A OD2 no hydrogen 2.975 N/A SER 220.A OG GLU 246.A OE1.A no hydrogen 2.726 N/A LEU 223.A N SER 220.A OG no hydrogen 3.125 N/A ILE 224.A N SER 220.A O no hydrogen 3.089 N/A ALA 225.A N PRO 221.A O no hydrogen 2.928 N/A LEU 226.A N ALA 222.A O no hydrogen 2.982 N/A ARG 227.A N LEU 223.A O no hydrogen 2.900 N/A ARG 227.A NE GLN 231.A OE1 no hydrogen 2.812 N/A ARG 227.A NH1 VAL 250.A O no hydrogen 2.950 N/A ARG 227.A NH2 GLN 231.A OE1 no hydrogen 3.526 N/A TYR 228.A N ILE 224.A O no hydrogen 2.935 N/A TYR 228.A OH ASP 262.A OD1 no hydrogen 2.682 N/A ILE 230.A N LEU 226.A O no hydrogen 3.009 N/A GLN 231.A N ARG 227.A O no hydrogen 2.923 N/A GLN 231.A NE2 LEU 255.A O no hydrogen 3.030 N/A ARG 232.A N LEU 229.A O no hydrogen 3.010 N/A ARG 232.A NH1 ASN 173.A O no hydrogen 2.851 N/A ARG 232.A NH2 ASN 173.A O no hydrogen 2.836 N/A GLY 233.A N ILE 230.A O no hydrogen 3.035 N/A ILE 234.A N LEU 229.A O no hydrogen 3.142 N/A VAL 235.A N LEU 186.A O no hydrogen 3.073 N/A LEU 237.A N ALA 188.A O no hydrogen 2.848 N/A ALA 238.A N GLY 15.A O no hydrogen 2.876 N/A SER 240.A OG GLU 244.A OE1 no hydrogen 2.692 N/A ARG 245.A NE GLU 242.A OE2 no hydrogen 2.883 N/A ARG 245.A NH2 GLU 242.A OE2 no hydrogen 2.954 N/A GLU 246.A N ASN 243.A O no hydrogen 2.868 N/A ASN 247.A N GLU 244.A O no hydrogen 3.090 N/A LEU 248.A N ARG 245.A O no hydrogen 3.230 N/A GLN 249.A N GLU 246.A O no hydrogen 2.930 N/A VAL 250.A N ASN 247.A O no hydrogen 3.236 N/A GLY 252.A N GLN 249.A O no hydrogen 2.948 N/A LEU 255.A N GLN 231.A OE1 no hydrogen 2.790 N/A SER 256.A OG GLU 258.A OE1.A no hydrogen 2.904 N/A ASP 259.A N SER 256.A OG no hydrogen 3.124 N/A THR 260.A OG1 GLU 258.A O no hydrogen 3.308 N/A LEU 261.A N ASP 259.A O no hydrogen 2.921 N/A GLY 263.A N THR 260.A O no hydrogen 3.010 N/A LEU 264.A N LEU 261.A O no hydrogen 3.090 N/A ASN 265.A ND2 ASN 266.A OD1 no hydrogen 2.981 N/A PHE 267.A N TYR 171.A O no hydrogen 3.027 N/A TYR 269.A N GLU 167.A OE2 no hydrogen 2.764 N/A TYR 269.A OH PRO 205.A O no hydrogen 2.701 N/A LEU 270.A N GLU 167.A OE1 no hydrogen 2.977 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.896 N/A LEU 275.A N ALA 272.A O no hydrogen 2.961 N/A VAL 276.A N GLU 273.A O no hydrogen 3.096 N/A HIS 278.A N VAL 276.A O no hydrogen 2.953 N/A HIS 278.A NE2 ASP 120.A O no hydrogen 2.923 N/A GLU 280.A N HIS 278.A ND1 no hydrogen 2.962 N/A TYR 281.A N HIS 278.A O no hydrogen 3.017 N/A TYR 281.A OH PRO 271.A O no hydrogen 2.587 N/A