Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cdd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ASP 61.A O no hydrogen 2.777 N/A LEU 6.A N TYR 13.A O no hydrogen 2.965 N/A LYS 7.A N THR 59.A O no hydrogen 2.920 N/A ALA 8.A N LYS 11.A O no hydrogen 3.175 N/A LYS 11.A N ALA 8.A O no hydrogen 3.161 N/A TYR 13.A N LEU 6.A O no hydrogen 2.769 N/A TRP 16.A NE1 TYR 13.A O no hydrogen 2.922 N/A THR 17.A N GLU 34.A O no hydrogen 2.803 N/A THR 17.A OG1 GLU 34.A O no hydrogen 3.090 N/A LYS 18.A N GLU 34.A O no hydrogen 3.053 N/A ILE 19.A N GLU 300.A O no hydrogen 2.908 N/A GLY 20.A N ASP 32.A O.A no hydrogen 2.906 N/A GLY 20.A N ASP 32.A O.B no hydrogen 2.898 N/A ILE 21.A N PHE 298.A O no hydrogen 2.728 N/A THR 22.A N ALA 30.A O no hydrogen 2.795 N/A ARG 23.A N ILE 296.A O no hydrogen 3.007 N/A ARG 23.A NH1 SER 167.A O no hydrogen 3.339 N/A ARG 23.A NH2 ASN 275.A OD1 no hydrogen 3.009 N/A LEU 25.A N ALA 294.A O no hydrogen 2.743 N/A GLU 26.A N SER 24.A OG no hydrogen 3.023 N/A GLY 29.A N ALA 27.A O no hydrogen 3.270 N/A ALA 30.A N THR 22.A O no hydrogen 3.139 N/A PHE 31.A N GLY 90.A O no hydrogen 2.985 N/A ASP 32.A N.A GLY 20.A O no hydrogen 2.894 N/A ASP 32.A N.B GLY 20.A O no hydrogen 2.876 N/A LEU 33.A N VAL 88.A O no hydrogen 2.929 N/A GLU 34.A N LYS 18.A O no hydrogen 2.867 N/A TYR 36.A N ILE 84.A O no hydrogen 2.806 N/A LYS 37.A NZ SER 82.A O no hydrogen 3.048 N/A LYS 37.A NZ SER 82.A OG no hydrogen 2.862 N/A LYS 37.A NZ THR 83.A OG1 no hydrogen 2.597 N/A PHE 38.A N SER 82.A O no hydrogen 2.831 N/A ASN 41.A N PHE 38.A O no hydrogen 2.960 N/A ALA 43.A N GLU 81.A O no hydrogen 3.139 N/A TYR 45.A N ASP 42.A O no hydrogen 3.143 N/A LYS 46.A N ALA 43.A O no hydrogen 3.085 N/A LYS 46.A NZ ASP 42.A OD2 no hydrogen 2.942 N/A GLN 54.A N GLN 54.A OE1 no hydrogen 2.786 N/A GLY 55.A N VAL 72.A O no hydrogen 2.750 N/A GLN 56.A N LYS 53.A O no hydrogen 3.264 N/A CYS 58.A N GLY 70.A O no hydrogen 2.842 N/A THR 59.A N LYS 7.A O no hydrogen 3.024 N/A VAL 60.A N ILE 68.A O no hydrogen 2.966 N/A ASP 61.A N VAL 5.A O no hydrogen 2.886 N/A ILE 62.A N GLU 65.A O no hydrogen 2.834 N/A GLY 63.A N GLU 3.A O no hydrogen 2.965 N/A GLU 65.A N ILE 62.A O no hydrogen 2.928 N/A ARG 66.A NE ASP 61.A OD1 no hydrogen 2.756 N/A ARG 66.A NH1 THR 69.A OG1 no hydrogen 2.923 N/A VAL 67.A N VAL 60.A O no hydrogen 2.835 N/A ILE 68.A N VAL 60.A O no hydrogen 3.377 N/A THR 69.A OG1 THR 169.A O no hydrogen 2.789 N/A GLY 70.A N CYS 58.A O no hydrogen 2.948 N/A TYR 71.A N ARG 91.A O no hydrogen 3.213 N/A VAL 72.A N GLN 56.A O no hydrogen 2.866 N/A ASP 73.A N SER 89.A O no hydrogen 2.806 N/A ASP 74.A N SER 89.A O no hydrogen 3.100 N/A VAL 76.A N SER 87.A O no hydrogen 2.797 N/A SER 78.A N THR 85.A O no hydrogen 2.896 N/A ASP 80.A N THR 83.A O no hydrogen 3.008 N/A SER 82.A N ASP 80.A OD1 no hydrogen 2.944 N/A THR 83.A OG1 ASP 80.A OD1 no hydrogen 2.702 N/A THR 83.A OG1 ASP 80.A OD2 no hydrogen 3.292 N/A ILE 84.A N TYR 36.A O no hydrogen 2.940 N/A THR 85.A N SER 78.A O no hydrogen 2.949 N/A SER 87.A N VAL 76.A O no hydrogen 3.230 N/A VAL 88.A N LEU 33.A O no hydrogen 2.925 N/A SER 89.A N ASP 74.A O no hydrogen 3.051 N/A SER 89.A OG.A PHE 31.A O no hydrogen 3.358 N/A SER 89.A OG.A ASP 32.A OD1.B no hydrogen 2.386 N/A SER 89.A OG.A ASP 32.A OD2.A no hydrogen 3.537 N/A GLY 90.A N PHE 31.A O no hydrogen 3.072 N/A ARG 91.A NE ASP 73.A OD2 no hydrogen 2.802 N/A ARG 91.A NH1 ASP 99.A OD1 no hydrogen 3.038 N/A ARG 91.A NH2 ASP 73.A OD1 no hydrogen 3.156 N/A ARG 91.A NH2 ASP 99.A OD2 no hydrogen 2.766 N/A ASP 92.A N SER 28.A O no hydrogen 2.885 N/A LYS 93.A N THR 69.A O no hydrogen 2.896 N/A LYS 93.A NZ GLY 126.A O no hydrogen 2.793 N/A THR 94.A N ASP 92.A OD1 no hydrogen 2.874 N/A THR 94.A OG1 ASP 92.A OD1 no hydrogen 2.521 N/A ALA 95.A N ASP 92.A O no hydrogen 2.993 N/A ASP 96.A N LYS 93.A O no hydrogen 3.177 N/A LEU 97.A N THR 94.A O no hydrogen 2.900 N/A VAL 98.A N ALA 95.A O no hydrogen 2.984 N/A ASP 99.A N ALA 95.A O no hydrogen 2.904 N/A CYS 100.A N ASP 96.A O no hydrogen 3.052 N/A ILE 102.A N GLU 148.A O no hydrogen 3.132 N/A SER 106.A OG GLN 108.A O no hydrogen 3.526 N/A GLY 107.A N TYR 104.A O no hydrogen 2.726 N/A PHE 109.A N ILE 142.A O no hydrogen 2.904 N/A ASN 111.A N GLN 140.A O no hydrogen 2.830 N/A GLN 112.A N PHE 139.A O no hydrogen 3.214 N/A GLN 112.A NE2 ASN 110.A O no hydrogen 2.905 N/A THR 113.A N GLN 116.A OE1 no hydrogen 2.852 N/A THR 113.A OG1 GLN 116.A OE1 no hydrogen 3.311 N/A GLN 116.A N THR 113.A OG1 no hydrogen 3.201 N/A ILE 117.A N THR 113.A O no hydrogen 3.000 N/A ALA 118.A N LEU 114.A O no hydrogen 2.884 N/A ASP 119.A N THR 115.A O no hydrogen 2.943 N/A ILE 120.A N GLN 116.A O no hydrogen 3.163 N/A VAL 121.A N ILE 117.A O no hydrogen 3.029 N/A CYS 122.A N ALA 118.A O no hydrogen 3.114 N/A LYS 123.A N ASP 119.A O no hydrogen 3.308 N/A PHE 125.A N CYS 122.A O no hydrogen 3.067 N/A GLY 126.A N LYS 123.A O no hydrogen 2.757 N/A ILE 127.A N CYS 122.A O no hydrogen 3.319 N/A ILE 130.A N LEU 173.A O no hydrogen 2.636 N/A ASN 132.A N ILE 175.A O no hydrogen 2.790 N/A GLY 136.A N ASP 134.A OD1 no hydrogen 2.962 N/A PHE 139.A N GLN 112.A O no hydrogen 2.696 N/A ILE 142.A N PHE 109.A O no hydrogen 3.050 N/A ILE 144.A N GLY 107.A O no hydrogen 3.171 N/A GLU 145.A N GLU 148.A OE1 no hydrogen 3.077 N/A GLU 148.A N GLU 145.A O no hydrogen 3.153 N/A THR 149.A N GLU 152.A OE1 no hydrogen 3.070 N/A HIS 151.A N LEU 97.A O no hydrogen 2.888 N/A GLU 152.A N THR 149.A OG1 no hydrogen 3.189 N/A LEU 153.A N THR 149.A O no hydrogen 3.046 N/A LEU 154.A N PRO 150.A O no hydrogen 2.985 N/A ALA 155.A N HIS 151.A O no hydrogen 2.809 N/A ARG 156.A N GLU 152.A O no hydrogen 3.182 N/A ARG 156.A NE GLU 148.A OE2 no hydrogen 2.597 N/A ARG 156.A NH2 GLN 143.A O no hydrogen 2.831 N/A ARG 156.A NH2 GLU 148.A OE1 no hydrogen 2.862 N/A LEU 157.A N LEU 153.A O no hydrogen 3.107 N/A ALA 158.A N LEU 154.A O no hydrogen 2.811 N/A LYS 159.A N ALA 155.A O no hydrogen 3.116 N/A LYS 159.A N ARG 156.A O no hydrogen 3.256 N/A GLN 160.A N LEU 157.A O no hydrogen 2.975 N/A ARG 161.A N ALA 158.A O no hydrogen 3.056 N/A ARG 161.A NE GLU 137.A O no hydrogen 2.995 N/A ARG 161.A NH1 GLN 160.A O no hydrogen 2.897 N/A ARG 161.A NH2 GLU 137.A O no hydrogen 3.348 N/A ARG 161.A NH2 PRO 138.A O no hydrogen 3.105 N/A VAL 163.A N ALA 158.A O no hydrogen 3.111 N/A LEU 164.A N THR 176.A O no hydrogen 2.701 N/A THR 166.A N VAL 174.A O no hydrogen 2.768 N/A SER 167.A N THR 166.A OG1 no hydrogen 2.739 N/A SER 167.A OG ASP 92.A OD2 no hydrogen 2.531 N/A ASP 168.A N ASN 172.A O no hydrogen 3.170 N/A PHE 170.A N ASP 168.A OD1 no hydrogen 2.883 N/A GLY 171.A N ASP 168.A O no hydrogen 2.993 N/A ASN 172.A N ASP 168.A OD1 no hydrogen 2.953 N/A ASN 172.A ND2 ASP 168.A OD2 no hydrogen 2.883 N/A LEU 173.A N LYS 128.A O no hydrogen 2.799 N/A VAL 174.A N THR 166.A O no hydrogen 2.832 N/A ILE 175.A N ILE 130.A O no hydrogen 2.763 N/A THR 176.A N LEU 164.A O no hydrogen 2.910 N/A THR 176.A OG1 ARG 177.A O no hydrogen 3.148 N/A ARG 177.A N THR 176.A OG1 no hydrogen 2.683 N/A ARG 177.A NH1 THR 133.A OG1 no hydrogen 2.884 N/A ARG 177.A NH1 ASP 134.A O no hydrogen 2.659 N/A SER 179.A N ASN 277.A OD1 no hydrogen 2.797 N/A THR 181.A N SER 179.A OG no hydrogen 2.934 N/A THR 181.A OG1 SER 179.A OG no hydrogen 3.086 N/A LYS 182.A NZ GLU 291.A OE1 no hydrogen 3.195 N/A LYS 182.A NZ GLU 291.A OE2 no hydrogen 2.621 N/A ALA 183.A N LEU 279.A O no hydrogen 2.709 N/A LEU 187.A N PRO 281.A O no hydrogen 2.975 N/A ILE 188.A N ASN 192.A OD1 no hydrogen 2.925 N/A LEU 189.A N ILE 283.A O no hydrogen 3.146 N/A ASP 191.A N ILE 188.A O no hydrogen 2.807 N/A ASN 192.A N ILE 188.A O no hydrogen 3.321 N/A ASN 192.A ND2 SER 186.A O no hydrogen 2.729 N/A LYS 194.A N THR 261.A O no hydrogen 2.982 N/A ALA 195.A N THR 261.A O no hydrogen 3.280 N/A ARG 197.A N GLU 259.A O no hydrogen 2.982 N/A ARG 197.A NE GLU 259.A OE1 no hydrogen 3.332 N/A ARG 197.A NH2 GLU 259.A OE1 no hydrogen 2.853 N/A SER 201.A N SER 256.A O no hydrogen 2.895 N/A ARG 203.A N SER 201.A OG no hydrogen 3.095 N/A ARG 205.A N TRP 202.A O no hydrogen 3.059 N/A ARG 205.A NE ASP 220.A OD2 no hydrogen 3.271 N/A ARG 205.A NH1 SER 256.A OG.B no hydrogen 3.272 N/A ARG 205.A NH2 ASP 220.A OD2 no hydrogen 2.981 N/A ARG 205.A NH2 GLU 222.A OE1 no hydrogen 2.688 N/A SER 207.A N ARG 227.A O no hydrogen 2.750 N/A SER 207.A OG ARG 225.A O no hydrogen 3.457 N/A PHE 209.A N VAL 218.A O no hydrogen 2.779 N/A THR 210.A N LEU 229.A O no hydrogen 2.831 N/A THR 210.A OG1.A LEU 229.A O no hydrogen 3.157 N/A THR 210.A OG1.B ASP 217.A OD1 no hydrogen 2.867 N/A ILE 211.A N ALA 216.A O no hydrogen 2.955 N/A LYS 212.A N ILE 231.A O no hydrogen 2.863 N/A ALA 216.A N ILE 211.A O no hydrogen 3.105 N/A VAL 218.A N PHE 209.A O no hydrogen 2.768 N/A THR 219.A OG1 SER 207.A O no hydrogen 3.482 N/A ASP 220.A N SER 207.A O no hydrogen 3.025 N/A GLU 222.A N ASP 220.A OD1 no hydrogen 3.000 N/A ILE 223.A N ASP 220.A O no hydrogen 3.276 N/A ARG 227.A N SER 207.A OG no hydrogen 2.679 N/A ARG 227.A NE ARG 205.A O no hydrogen 2.807 N/A ARG 227.A NH2 ARG 205.A O no hydrogen 2.937 N/A LEU 229.A N LYS 208.A O no hydrogen 2.929 N/A ILE 231.A N THR 210.A O no hydrogen 2.777 N/A ASN 233.A N LYS 212.A O no hydrogen 3.242 N/A VAL 236.A N ASN 233.A O no hydrogen 3.115 N/A ALA 241.A N THR 237.A O no hydrogen 2.903 N/A ALA 242.A N ALA 238.A O no hydrogen 3.270 N/A LYS 243.A N GLU 239.A O no hydrogen 2.987 N/A ARG 244.A N GLY 240.A O no hydrogen 2.974 N/A GLY 245.A N ALA 241.A O no hydrogen 2.813 N/A GLN 246.A N ALA 242.A O no hydrogen 2.926 N/A TRP 247.A N LYS 243.A O no hydrogen 2.936 N/A GLU 248.A N ARG 244.A O no hydrogen 3.041 N/A ARG 249.A N GLY 245.A O no hydrogen 2.936 N/A ARG 249.A NH1 THR 219.A O no hydrogen 2.745 N/A GLN 250.A N GLN 246.A O no hydrogen 2.971 N/A ARG 251.A N TRP 247.A O no hydrogen 2.913 N/A SER 252.A N GLU 248.A O no hydrogen 3.090 N/A SER 252.A OG ARG 249.A O no hydrogen 3.018 N/A ILE 253.A N ARG 249.A O no hydrogen 3.126 N/A GLY 254.A N GLN 250.A O no hydrogen 3.304 N/A LYS 255.A N ARG 251.A O no hydrogen 3.054 N/A SER 256.A N ILE 253.A O no hydrogen 3.107 N/A SER 256.A OG.A SER 252.A O no hydrogen 2.473 N/A SER 256.A OG.B SER 201.A O no hydrogen 3.425 N/A SER 256.A OG.B ILE 253.A O no hydrogen 3.018 N/A GLU 259.A N ARG 197.A O no hydrogen 2.871 N/A TYR 260.A N ILE 309.A O no hydrogen 2.806 N/A TYR 260.A OH ASP 284.A OD2 no hydrogen 2.669 N/A THR 261.A N ALA 195.A O no hydrogen 2.813 N/A VAL 262.A N ALA 307.A O no hydrogen 2.919 N/A GLY 264.A N ARG 305.A O no hydrogen 3.001 N/A TRP 265.A NE1 SER 299.A O no hydrogen 2.970 N/A ARG 266.A NE GLU 2.A OE1 no hydrogen 2.619 N/A ARG 266.A NH1 GLU 65.A OE1 no hydrogen 2.564 N/A ARG 266.A NH1 GLY 271.A O no hydrogen 3.016 N/A ARG 266.A NH2 GLU 2.A OE1 no hydrogen 3.103 N/A ARG 266.A NH2 GLU 65.A OE1 no hydrogen 2.807 N/A ILE 267.A N LYS 272.A O no hydrogen 2.811 N/A GLN 269.A N GLN 269.A OE1 no hydrogen 2.759 N/A GLY 271.A N ILE 267.A O no hydrogen 2.558 N/A TRP 274.A N TRP 265.A O no hydrogen 3.136 N/A ASN 277.A N ILE 293.A O no hydrogen 2.715 N/A ASN 277.A ND2 ARG 177.A O no hydrogen 3.109 N/A THR 278.A OG1 ASN 275.A O no hydrogen 2.751 N/A LEU 279.A N THR 181.A O no hydrogen 2.785 N/A VAL 282.A N GLU 290.A O no hydrogen 2.893 N/A ILE 283.A N LEU 187.A O no hydrogen 3.167 N/A ASP 284.A N LEU 288.A O no hydrogen 2.691 N/A LEU 288.A N ASP 284.A O no hydrogen 2.735 N/A GLU 290.A N VAL 282.A O no hydrogen 3.276 N/A LEU 292.A N VAL 312.A O no hydrogen 2.754 N/A ILE 293.A N THR 278.A O no hydrogen 2.836 N/A ALA 294.A N SER 310.A O no hydrogen 2.898 N/A SER 295.A N SER 310.A O no hydrogen 3.398 N/A SER 295.A OG ARG 23.A O no hydrogen 3.171 N/A ILE 296.A N ARG 23.A O no hydrogen 2.763 N/A LEU 297.A N VAL 308.A O no hydrogen 2.859 N/A PHE 298.A N ILE 21.A O no hydrogen 2.769 N/A SER 299.A N LEU 306.A O no hydrogen 2.961 N/A GLU 300.A N ILE 19.A O no hydrogen 2.924 N/A ASP 301.A N GLY 304.A O no hydrogen 3.374 N/A GLY 304.A N ASP 301.A O no hydrogen 3.261 N/A GLY 304.A N ASP 301.A OD1 no hydrogen 3.135 N/A ARG 305.A NE GLU 300.A OE2 no hydrogen 2.603 N/A ARG 305.A NH1 GLU 2.A O no hydrogen 2.659 N/A ARG 305.A NH2 GLU 2.A O no hydrogen 2.790 N/A ARG 305.A NH2 GLU 300.A OE2 no hydrogen 2.866 N/A LEU 306.A N SER 299.A O no hydrogen 2.908 N/A ALA 307.A N VAL 262.A O no hydrogen 2.977 N/A VAL 308.A N LEU 297.A O no hydrogen 2.757 N/A ILE 309.A N TYR 260.A O no hydrogen 2.770 N/A SER 310.A N SER 295.A O no hydrogen 2.952 N/A SER 310.A OG.B GLU 259.A OE2 no hydrogen 3.222 N/A VAL 311.A N ALA 258.A O no hydrogen 3.014 N/A VAL 312.A N LEU 292.A O no hydrogen 2.896 N/A ALA 316.A N ARG 313.A O no hydrogen 2.755 N/A