Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4twn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 GLU 8.A OE1 no hydrogen 2.575 N/A GLU 4.A N THR 1.A O no hydrogen 3.188 N/A PHE 5.A N VAL 2.A O no hydrogen 2.938 N/A ALA 6.A N VAL 2.A O no hydrogen 2.739 N/A LEU 9.A N VAL 81.A O no hydrogen 2.676 N/A THR 12.A N ASP 10.A OD1 no hydrogen 3.069 N/A THR 12.A OG1 ASP 10.A OD1 no hydrogen 3.447 N/A ASN 13.A N ASP 10.A O no hydrogen 2.826 N/A ILE 14.A N ALA 11.A O no hydrogen 3.104 N/A SER 15.A N ARG 32.A O no hydrogen 2.947 N/A SER 15.A OG ASP 17.A OD1 no hydrogen 3.391 N/A ASP 17.A N SER 30.A O no hydrogen 2.829 N/A LYS 18.A N SER 30.A O no hydrogen 3.189 N/A VAL 20.A N VAL 28.A O no hydrogen 2.698 N/A GLY 21.A N VAL 28.A O no hydrogen 2.929 N/A GLY 23.A N GLY 26.A O no hydrogen 2.836 N/A GLU 27.A N THR 47.A O no hydrogen 2.947 N/A VAL 28.A N GLY 21.A O no hydrogen 2.720 N/A CYS 29.A N ILE 45.A O no hydrogen 2.698 N/A SER 30.A N LYS 18.A O no hydrogen 2.905 N/A GLY 31.A N VAL 43.A O no hydrogen 2.981 N/A ARG 32.A N SER 15.A O no hydrogen 2.937 N/A ARG 32.A NH1 SER 42.A OG no hydrogen 2.879 N/A LEU 33.A N ILE 41.A O no hydrogen 2.880 N/A LYS 34.A N ASN 13.A O no hydrogen 2.762 N/A LYS 34.A NZ LYS 38.A O no hydrogen 2.770 N/A LYS 34.A NZ GLU 40.A OE2 no hydrogen 2.876 N/A LEU 35.A N LYS 39.A O no hydrogen 2.719 N/A LYS 38.A N LEU 35.A O no hydrogen 2.781 N/A ILE 41.A N LEU 33.A O no hydrogen 2.929 N/A VAL 43.A N GLY 31.A O no hydrogen 2.940 N/A ALA 44.A N THR 92.A O no hydrogen 2.880 N/A ILE 45.A N CYS 29.A O no hydrogen 2.745 N/A LYS 46.A N ILE 90.A O no hydrogen 2.829 N/A LYS 46.A NZ GLU 63.A OE1 no hydrogen 2.742 N/A LYS 46.A NZ SER 161.A O no hydrogen 2.764 N/A LYS 46.A NZ SER 161.A OG no hydrogen 2.804 N/A THR 47.A N GLU 27.A O no hydrogen 2.868 N/A LEU 48.A N VAL 88.A O no hydrogen 3.305 N/A LYS 49.A N PHE 25.A O no hydrogen 3.154 N/A THR 53.A N GLN 56.A OE1 no hydrogen 2.866 N/A THR 53.A OG1 GLN 56.A OE1 no hydrogen 3.514 N/A GLN 56.A N THR 53.A OG1 no hydrogen 3.146 N/A ARG 57.A N THR 53.A O no hydrogen 2.993 N/A ARG 58.A N GLU 54.A O no hydrogen 2.965 N/A ASP 59.A N LYS 55.A O no hydrogen 2.931 N/A PHE 60.A N GLN 56.A O no hydrogen 2.844 N/A LEU 61.A N ARG 57.A O no hydrogen 2.975 N/A GLY 62.A N ARG 58.A O no hydrogen 2.959 N/A GLU 63.A N PHE 60.A O no hydrogen 3.221 N/A SER 65.A N LEU 61.A O no hydrogen 3.066 N/A ILE 66.A N GLY 62.A O no hydrogen 3.243 N/A MET 67.A N GLU 63.A O no hydrogen 3.022 N/A GLY 68.A N ALA 64.A O no hydrogen 2.876 N/A GLN 69.A N ILE 66.A O no hydrogen 3.156 N/A GLN 69.A NE2 SER 65.A O no hydrogen 3.214 N/A PHE 70.A N MET 67.A O no hydrogen 3.108 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.923 N/A ASN 74.A ND2 CYS 153.A O no hydrogen 2.918 N/A ILE 75.A N HIS 72.A O no hydrogen 3.159 N/A ILE 76.A N VAL 155.A O no hydrogen 2.910 N/A ARG 77.A N GLU 93.A OE2 no hydrogen 2.821 N/A ARG 77.A NE GLU 79.A OE2 no hydrogen 3.128 N/A GLU 79.A N VAL 91.A O no hydrogen 2.698 N/A GLY 80.A N VAL 91.A O no hydrogen 3.229 N/A VAL 81.A N LYS 7.A O no hydrogen 2.802 N/A VAL 82.A N MET 89.A O no hydrogen 2.885 N/A THR 83.A N GLU 8.A OE2 no hydrogen 2.774 N/A THR 83.A OG1 HIS 3.A NE2 no hydrogen 3.348 N/A THR 83.A OG1 GLU 8.A OE1 no hydrogen 2.445 N/A THR 83.A OG1 GLU 8.A OE2 no hydrogen 3.255 N/A LYS 84.A N GLU 8.A OE2 no hydrogen 2.907 N/A MET 89.A N VAL 82.A O no hydrogen 3.064 N/A ILE 90.A N LYS 46.A O no hydrogen 2.890 N/A VAL 91.A N GLY 80.A O no hydrogen 2.899 N/A THR 92.A N ALA 44.A O no hydrogen 2.867 N/A THR 92.A OG1 GLU 93.A O no hydrogen 3.048 N/A GLU 93.A N ARG 77.A O no hydrogen 2.930 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.684 N/A ASN 97.A N ILE 147.A O no hydrogen 2.911 N/A ASN 97.A ND2 ASN 148.A O no hydrogen 2.995 N/A GLY 98.A N MET 95.A O no hydrogen 3.082 N/A SER 99.A OG.A ASP 101.A OD1 no hydrogen 3.366 N/A SER 99.A OG.A SER 102.A OG no hydrogen 2.539 N/A SER 99.A OG.B ARG 143.A O no hydrogen 2.887 N/A LEU 100.A N ILE 145.A O no hydrogen 2.764 N/A SER 102.A OG SER 99.A O.A no hydrogen 3.099 N/A SER 102.A OG SER 99.A O.B no hydrogen 3.054 N/A SER 102.A OG SER 99.A OG.A no hydrogen 2.539 N/A PHE 103.A N SER 99.A O.A no hydrogen 3.082 N/A PHE 103.A N SER 99.A O.B no hydrogen 3.045 N/A LEU 104.A N LEU 100.A O no hydrogen 2.919 N/A ARG 105.A N ASP 101.A O no hydrogen 3.093 N/A ARG 105.A NH1 ASP 101.A OD2 no hydrogen 3.141 N/A ARG 105.A NH1 GLY 199.A O no hydrogen 2.831 N/A ARG 105.A NH2 ASP 101.A OD2 no hydrogen 2.961 N/A LYS 106.A N SER 102.A O no hydrogen 3.278 N/A LYS 106.A N PHE 103.A O no hydrogen 3.218 N/A HIS 107.A N LEU 104.A O no hydrogen 2.951 N/A HIS 107.A ND1 GLN 110.A OE1 no hydrogen 2.798 N/A GLN 110.A N HIS 107.A O no hydrogen 2.929 N/A PHE 111.A N TYR 198.A OH no hydrogen 3.027 N/A THR 112.A N GLN 115.A OE1 no hydrogen 2.970 N/A GLN 115.A N THR 112.A OG1 no hydrogen 3.012 N/A LEU 116.A N THR 112.A O no hydrogen 3.083 N/A VAL 117.A N VAL 113.A O no hydrogen 2.841 N/A GLY 118.A N ILE 114.A O no hydrogen 2.868 N/A MET 119.A N GLN 115.A O no hydrogen 3.110 N/A LEU 120.A N LEU 116.A O no hydrogen 3.038 N/A ARG 121.A N VAL 117.A O no hydrogen 2.772 N/A ARG 121.A NE ASP 257.A OD1 no hydrogen 2.730 N/A ARG 121.A NE ASP 257.A OD2 no hydrogen 3.500 N/A ARG 121.A NH2 ASP 257.A OD2 no hydrogen 3.023 N/A GLY 122.A N GLY 118.A O no hydrogen 3.087 N/A ILE 123.A N MET 119.A O no hydrogen 3.062 N/A ALA 124.A N LEU 120.A O no hydrogen 2.973 N/A SER 125.A N ARG 121.A O no hydrogen 2.902 N/A GLY 126.A N GLY 122.A O no hydrogen 3.043 N/A MET 127.A N ILE 123.A O no hydrogen 3.000 N/A LYS 128.A N ALA 124.A O no hydrogen 2.852 N/A LYS 128.A NZ ASP 132.A OD1 no hydrogen 3.454 N/A LYS 128.A NZ ASP 132.A OD2 no hydrogen 2.577 N/A TYR 129.A N SER 125.A O no hydrogen 3.151 N/A LEU 130.A N GLY 126.A O no hydrogen 3.003 N/A SER 131.A N.A MET 127.A O no hydrogen 2.897 N/A SER 131.A N.B MET 127.A O no hydrogen 2.879 N/A SER 131.A OG.A MET 127.A O no hydrogen 2.848 N/A SER 131.A OG.A LYS 128.A O no hydrogen 2.904 N/A SER 131.A OG.B MET 127.A O no hydrogen 3.432 N/A SER 131.A OG.B SER 181.A OG no hydrogen 2.894 N/A ASP 132.A N LYS 128.A O no hydrogen 2.879 N/A MET 133.A N TYR 129.A O no hydrogen 3.039 N/A MET 133.A N LEU 130.A O no hydrogen 3.092 N/A GLY 134.A N SER 131.A O.A no hydrogen 3.014 N/A GLY 134.A N SER 131.A O.B no hydrogen 2.937 N/A TYR 135.A N LEU 130.A O no hydrogen 3.013 N/A HIS 137.A N ASP 184.A OD2 no hydrogen 2.801 N/A HIS 137.A NE2 SER 156.A O no hydrogen 2.786 N/A ARG 138.A N ASP 184.A OD1 no hydrogen 3.029 N/A ASP 139.A N.A HIS 137.A ND1 no hydrogen 2.994 N/A ASP 139.A N.B HIS 137.A ND1 no hydrogen 2.998 N/A ALA 142.A N GLU 194.A OE2 no hydrogen 2.936 N/A ASN 144.A N ALA 141.A O no hydrogen 2.861 N/A ASN 144.A ND2 ASP 139.A O.A no hydrogen 2.777 N/A ASN 144.A ND2 ASP 139.A O.B no hydrogen 2.735 N/A ASN 144.A ND2 ASP 139.A OD2.B no hydrogen 2.901 N/A ILE 145.A N ALA 142.A O no hydrogen 2.975 N/A LEU 146.A N LYS 154.A O no hydrogen 2.948 N/A ILE 147.A N GLY 98.A O no hydrogen 2.917 N/A ASN 148.A N VAL 152.A O no hydrogen 3.012 N/A SER 149.A N GLU 96.A OE1 no hydrogen 3.106 N/A ASN 150.A N ASN 148.A OD1 no hydrogen 2.914 N/A LEU 151.A N ASN 148.A O no hydrogen 2.951 N/A VAL 152.A N ASN 148.A OD1 no hydrogen 3.008 N/A CYS 153.A SG LEU 151.A O no hydrogen 3.898 N/A LYS 154.A N LEU 146.A O no hydrogen 2.815 N/A LYS 154.A NZ PRO 73.A O no hydrogen 3.057 N/A LYS 154.A NZ GLU 93.A OE1 no hydrogen 2.806 N/A LYS 154.A NZ GLU 93.A OE2 no hydrogen 3.372 N/A VAL 155.A N ASN 74.A O no hydrogen 2.788 N/A SER 156.A N ASN 144.A O no hydrogen 2.941 N/A SER 156.A OG ASN 144.A O no hydrogen 2.679 N/A PHE 158.A N SER 156.A OG no hydrogen 3.139 N/A GLY 159.A N ASN 144.A OD1 no hydrogen 2.660 N/A LEU 160.A N ASP 157.A OD1 no hydrogen 3.054 N/A SER 161.A N ASP 157.A O no hydrogen 3.030 N/A SER 161.A OG GLU 63.A OE1 no hydrogen 3.163 N/A SER 161.A OG GLU 63.A OE2 no hydrogen 2.697 N/A ARG 162.A N PHE 158.A O no hydrogen 2.824 N/A ARG 167.A NE PRO 202.A O no hydrogen 2.856 N/A ARG 167.A NE TRP 204.A O no hydrogen 3.219 N/A ARG 167.A NH1 TRP 204.A O no hydrogen 3.144 N/A ARG 167.A NH1 MET 206.A O no hydrogen 2.626 N/A ARG 167.A NH2 ASN 208.A OD1 no hydrogen 2.721 N/A TRP 168.A N PRO 165.A O no hydrogen 3.010 N/A TRP 168.A NE1 GLU 194.A OE2 no hydrogen 2.896 N/A THR 169.A N ILE 166.A O no hydrogen 3.188 N/A THR 169.A OG1 PRO 165.A O no hydrogen 2.756 N/A SER 170.A OG GLU 172.A OE2 no hydrogen 2.792 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.830 N/A ALA 173.A N SER 170.A OG no hydrogen 3.331 N/A ILE 174.A N SER 170.A O no hydrogen 3.014 N/A ALA 175.A N PRO 171.A O no hydrogen 2.806 N/A TYR 176.A N GLU 172.A O no hydrogen 3.089 N/A ARG 177.A N ALA 173.A O no hydrogen 2.855 N/A LYS 178.A N GLU 172.A O no hydrogen 3.317 N/A PHE 179.A N ARG 177.A O no hydrogen 3.046 N/A THR 180.A N SER 183.A OG no hydrogen 2.811 N/A SER 181.A OG SER 131.A OG.B no hydrogen 2.894 N/A SER 183.A N THR 180.A O no hydrogen 2.981 N/A SER 183.A N THR 180.A OG1 no hydrogen 3.340 N/A SER 183.A OG THR 180.A O no hydrogen 2.673 N/A ASP 184.A N THR 180.A O no hydrogen 3.207 N/A VAL 185.A N SER 181.A O no hydrogen 2.881 N/A TRP 186.A N ALA 182.A O no hydrogen 3.137 N/A SER 187.A N SER 183.A O no hydrogen 3.088 N/A SER 187.A OG TRP 168.A O no hydrogen 2.629 N/A SER 187.A OG SER 183.A O no hydrogen 3.236 N/A TYR 188.A N ASP 184.A O no hydrogen 2.759 N/A TYR 188.A OH LEU 120.A O no hydrogen 2.719 N/A GLY 189.A N VAL 185.A O no hydrogen 2.947 N/A ILE 190.A N TRP 186.A O no hydrogen 3.181 N/A VAL 191.A N SER 187.A O no hydrogen 2.964 N/A LEU 192.A N TYR 188.A O no hydrogen 2.828 N/A TRP 193.A N GLY 189.A O no hydrogen 3.059 N/A TRP 193.A NE1 PRO 222.A O no hydrogen 2.766 N/A GLU 194.A N ILE 190.A O no hydrogen 2.766 N/A VAL 195.A N VAL 191.A O no hydrogen 2.802 N/A MET 196.A N LEU 192.A O no hydrogen 3.045 N/A SER 197.A N.A TRP 193.A O no hydrogen 2.985 N/A SER 197.A N.B TRP 193.A O no hydrogen 2.983 N/A SER 197.A OG.A TRP 193.A O no hydrogen 2.705 N/A SER 197.A OG.B TRP 193.A O no hydrogen 2.988 N/A SER 197.A OG.B GLU 194.A O no hydrogen 3.152 N/A TYR 198.A N VAL 195.A O no hydrogen 2.976 N/A GLY 199.A N GLU 194.A O no hydrogen 2.853 N/A GLU 200.A N SER 197.A O.B no hydrogen 3.403 N/A ARG 201.A NE TRP 204.A O no hydrogen 2.908 N/A TRP 204.A N ARG 201.A O no hydrogen 2.844 N/A MET 206.A N TYR 203.A O no hydrogen 3.055 N/A ASP 210.A N SER 207.A O no hydrogen 2.919 N/A VAL 211.A N SER 207.A O no hydrogen 2.981 N/A ILE 212.A N ASN 208.A O no hydrogen 3.023 N/A LYS 213.A N GLN 209.A O no hydrogen 2.998 N/A ALA 214.A N ASP 210.A O no hydrogen 2.835 N/A VAL 215.A N VAL 211.A O no hydrogen 3.183 N/A ASP 216.A N ILE 212.A O no hydrogen 3.069 N/A GLU 217.A N LYS 213.A O no hydrogen 2.933 N/A GLY 218.A N VAL 215.A O no hydrogen 2.991 N/A TYR 219.A N ALA 214.A O no hydrogen 2.960 N/A ARG 220.A N LEU 274.A O no hydrogen 2.792 N/A ARG 220.A NE TRP 239.A O no hydrogen 3.099 N/A ARG 220.A NH1 VAL 215.A O no hydrogen 2.898 N/A ARG 220.A NH1 TYR 219.A O no hydrogen 2.866 N/A ARG 220.A NH2 TRP 239.A O no hydrogen 2.874 N/A CYS 227.A N PRO 224.A O no hydrogen 3.100 N/A CYS 227.A SG PRO 228.A O no hydrogen 3.453 N/A ALA 229.A N ILE 268.A O no hydrogen 2.767 N/A LEU 231.A N PRO 228.A O no hydrogen 3.019 N/A TYR 232.A N PRO 228.A O no hydrogen 3.084 N/A TYR 232.A OH LEU 221.A O no hydrogen 2.687 N/A GLN 233.A N ALA 229.A O no hydrogen 2.862 N/A GLN 233.A NE2 ASP 237.A OD1 no hydrogen 3.036 N/A LEU 234.A N ALA 230.A O no hydrogen 3.040 N/A MET 235.A N LEU 231.A O no hydrogen 3.030 N/A LEU 236.A N TYR 232.A O no hydrogen 2.996 N/A ASP 237.A N GLN 233.A O no hydrogen 2.964 N/A CYS 238.A N LEU 234.A O no hydrogen 2.952 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.333 N/A TRP 239.A N MET 235.A O no hydrogen 2.982 N/A TRP 239.A N LEU 236.A O no hydrogen 3.124 N/A GLN 240.A N ASP 237.A O no hydrogen 3.293 N/A GLN 240.A NE2 LEU 236.A O no hydrogen 3.438 N/A ASN 244.A N ASP 242.A OD1 no hydrogen 2.933 N/A ASN 245.A N ASP 242.A O no hydrogen 2.922 N/A ARG 246.A N ARG 243.A O no hydrogen 3.370 N/A ARG 246.A NE GLN 240.A O no hydrogen 2.910 N/A ARG 246.A NH1 GLU 172.A OE2 no hydrogen 2.808 N/A ARG 246.A NH1 ALA 182.A O no hydrogen 2.970 N/A ARG 246.A NH2 GLU 172.A OE1 no hydrogen 2.921 N/A ARG 246.A NH2 GLN 240.A O no hydrogen 2.998 N/A LYS 248.A N GLN 251.A OE1 no hydrogen 2.750 N/A ILE 252.A N LYS 248.A O no hydrogen 3.100 N/A VAL 253.A N PHE 249.A O no hydrogen 2.910 N/A SER 254.A N GLU 250.A O no hydrogen 3.068 N/A ILE 255.A N GLN 251.A O no hydrogen 2.858 N/A LEU 256.A N ILE 252.A O no hydrogen 2.986 N/A ASP 257.A N VAL 253.A O no hydrogen 2.885 N/A LYS 258.A N SER 254.A O no hydrogen 3.003 N/A LEU 259.A N ILE 255.A O no hydrogen 3.099 N/A ILE 260.A N LEU 256.A O no hydrogen 3.002 N/A ARG 261.A N ASP 257.A O no hydrogen 2.981 N/A ASN 262.A N LYS 258.A O no hydrogen 2.989 N/A SER 265.A N ASN 262.A O no hydrogen 3.143 N/A SER 265.A OG ASN 262.A O no hydrogen 2.600 N/A LEU 266.A N PRO 263.A O no hydrogen 2.954 N/A LYS 267.A N GLY 264.A O no hydrogen 2.959 N/A THR 270.A N CYS 227.A O no hydrogen 2.950 N/A THR 270.A OG1 CYS 227.A O no hydrogen 3.268 N/A LEU 274.A N ARG 220.A O no hydrogen 2.794 N/A