Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w8d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ALA 27.A O no hydrogen 2.789 N/A GLY 4.A N GLY 28.A O no hydrogen 3.409 N/A LYS 5.A N LEU 2.A O no hydrogen 2.957 N/A LYS 6.A N ASP 85.A OD1 no hydrogen 2.760 N/A LYS 6.A NZ GLY 4.A O no hydrogen 3.239 N/A ALA 7.A N ASP 30.A O no hydrogen 2.780 N/A VAL 8.A N ILE 86.A O no hydrogen 2.839 N/A VAL 9.A N VAL 32.A O no hydrogen 2.967 N/A THR 10.A N VAL 88.A O no hydrogen 3.016 N/A THR 10.A OG1 VAL 88.A O no hydrogen 3.516 N/A GLY 11.A N ASN 34.A OD1 no hydrogen 2.969 N/A SER 12.A N ASN 34.A O no hydrogen 2.720 N/A SER 12.A OG VAL 9.A O no hydrogen 2.725 N/A SER 12.A OG ASN 34.A O no hydrogen 3.489 N/A THR 13.A OG1 PHE 36.A O no hydrogen 2.626 N/A LEU 18.A N SER 14.A O no hydrogen 3.096 N/A ALA 19.A N GLY 15.A O no hydrogen 3.302 N/A MET 20.A N ILE 16.A O no hydrogen 2.896 N/A ALA 21.A N GLY 17.A O no hydrogen 2.953 N/A THR 22.A N LEU 18.A O no hydrogen 2.973 N/A THR 22.A OG1 LEU 18.A O no hydrogen 2.942 N/A GLU 23.A N ALA 19.A O no hydrogen 2.840 N/A LEU 24.A N MET 20.A O no hydrogen 2.919 N/A ALA 25.A N ALA 21.A O no hydrogen 2.896 N/A LYS 26.A N THR 22.A O no hydrogen 2.769 N/A LYS 26.A NZ GLU 23.A OE1 no hydrogen 3.095 N/A LYS 26.A NZ GLU 23.A OE2 no hydrogen 3.313 N/A ALA 27.A N GLU 23.A O no hydrogen 3.005 N/A GLY 28.A N ALA 25.A O no hydrogen 2.826 N/A ALA 29.A N LEU 24.A O no hydrogen 3.001 N/A ASP 30.A N LYS 5.A O no hydrogen 2.868 N/A VAL 31.A N LYS 56.A O no hydrogen 2.978 N/A VAL 32.A N ALA 7.A O no hydrogen 2.882 N/A ILE 33.A N TYR 58.A O no hydrogen 2.777 N/A ASN 34.A N SER 12.A OG no hydrogen 3.058 N/A ASN 34.A ND2 LEU 60.A O no hydrogen 3.008 N/A ASN 34.A ND2 ALA 62.A O no hydrogen 3.373 N/A GLU 40.A N GLU 40.A OE2 no hydrogen 2.779 N/A ILE 42.A N GLN 38.A O no hydrogen 2.953 N/A GLU 43.A N PRO 39.A O no hydrogen 2.952 N/A ARG 44.A N GLU 40.A O no hydrogen 3.034 N/A GLU 45.A N ASP 41.A O no hydrogen 2.881 N/A ARG 46.A N ILE 42.A O no hydrogen 2.899 N/A ARG 46.A NE GLU 43.A OE1 no hydrogen 3.440 N/A ARG 46.A NE GLU 43.A OE2 no hydrogen 2.828 N/A ARG 46.A NH1 ALA 57.A O no hydrogen 2.861 N/A ARG 46.A NH2 GLU 43.A OE1 no hydrogen 2.851 N/A SER 47.A N GLU 43.A O no hydrogen 2.906 N/A SER 47.A OG.A GLU 43.A O no hydrogen 3.402 N/A SER 47.A OG.A ARG 44.A O no hydrogen 3.496 N/A THR 48.A N ARG 44.A O no hydrogen 2.894 N/A THR 48.A OG1 ARG 44.A O no hydrogen 2.742 N/A THR 48.A OG1 GLU 45.A O no hydrogen 3.378 N/A LEU 49.A N GLU 45.A O no hydrogen 3.011 N/A GLU 50.A N ARG 46.A O no hydrogen 3.386 N/A SER 51.A N SER 47.A O no hydrogen 2.905 N/A SER 51.A OG SER 47.A O no hydrogen 3.285 N/A LYS 52.A N THR 48.A O no hydrogen 2.818 N/A PHE 53.A N LEU 49.A O no hydrogen 3.191 N/A GLY 54.A N GLU 50.A O no hydrogen 2.836 N/A LYS 56.A N ASP 30.A OD1 no hydrogen 2.851 N/A ALA 57.A N GLU 50.A OE2 no hydrogen 2.923 N/A TYR 58.A N VAL 31.A O no hydrogen 3.008 N/A TYR 59.A OH GLY 35.A O no hydrogen 2.653 N/A LEU 60.A N ILE 33.A O no hydrogen 2.949 N/A SER 65.A N ASP 63.A OD2 no hydrogen 3.003 N/A SER 65.A OG ASP 63.A OD1 no hydrogen 3.438 N/A SER 65.A OG ASP 63.A OD2 no hydrogen 2.704 N/A ASP 66.A N ASP 63.A O no hydrogen 3.139 N/A GLN 68.A NE2 ASP 72.A OD1 no hydrogen 2.974 N/A ALA 69.A N ASP 66.A OD1 no hydrogen 2.903 N/A THR 70.A N ASP 66.A O no hydrogen 3.025 N/A THR 70.A OG1 LEU 64.A O no hydrogen 3.041 N/A THR 70.A OG1 ASP 66.A O no hydrogen 3.034 N/A ARG 71.A N ALA 67.A O no hydrogen 3.010 N/A ARG 71.A NE HIS 120.A ND1 no hydrogen 3.019 N/A ARG 71.A NH2 HIS 120.A ND1 no hydrogen 3.126 N/A ASP 72.A N GLN 68.A O no hydrogen 2.774 N/A PHE 73.A N ALA 69.A O no hydrogen 2.754 N/A ILE 74.A N THR 70.A O no hydrogen 3.079 N/A ALA 75.A N ARG 71.A O no hydrogen 3.172 N/A LYS 76.A N ASP 72.A O no hydrogen 2.925 N/A ALA 77.A N PHE 73.A O no hydrogen 2.771 N/A ALA 78.A N ILE 74.A O no hydrogen 2.839 N/A GLU 79.A N ALA 75.A O no hydrogen 2.969 N/A ALA 80.A N LYS 76.A O no hydrogen 2.928 N/A LEU 81.A N ALA 77.A O no hydrogen 2.957 N/A GLY 82.A N ALA 78.A O no hydrogen 2.817 N/A GLY 83.A N ALA 78.A O no hydrogen 2.987 N/A ASP 85.A N LYS 6.A O no hydrogen 2.804 N/A ILE 86.A N LYS 6.A O no hydrogen 3.032 N/A LEU 87.A N ARG 136.A O no hydrogen 2.879 N/A VAL 88.A N VAL 8.A O no hydrogen 2.790 N/A ASN 89.A N ILE 138.A O no hydrogen 2.894 N/A ASN 90.A N THR 10.A OG1 no hydrogen 2.780 N/A ASN 90.A ND2 THR 10.A O no hydrogen 3.062 N/A ALA 91.A N THR 10.A OG1 no hydrogen 2.913 N/A ILE 93.A N ASN 114.A OD1 no hydrogen 2.972 N/A HIS 95.A N GLN 94.A OE1 no hydrogen 2.904 N/A THR 96.A OG1.C ASN 151.A O no hydrogen 3.386 N/A ALA 97.A N ASN 151.A O no hydrogen 2.963 N/A GLU 100.A N GLU 100.A OE1 no hydrogen 2.758 N/A GLU 101.A N PRO 98.A O no hydrogen 2.917 N/A PHE 102.A N ILE 99.A O no hydrogen 3.048 N/A TRP 107.A N PRO 103.A O no hydrogen 2.872 N/A ASN 108.A N VAL 104.A O no hydrogen 2.856 N/A ALA 109.A N ASP 105.A O no hydrogen 2.935 N/A ILE 110.A N LYS 106.A O no hydrogen 2.888 N/A ILE 111.A N TRP 107.A O no hydrogen 2.954 N/A ALA 112.A N ASN 108.A O no hydrogen 2.862 N/A LEU 113.A N ALA 109.A O no hydrogen 3.091 N/A ASN 114.A N ILE 110.A O no hydrogen 2.850 N/A ASN 114.A ND2 ILE 93.A O no hydrogen 2.912 N/A LEU 115.A N ILE 111.A O no hydrogen 3.040 N/A SER 116.A N ILE 111.A O no hydrogen 2.833 N/A ALA 117.A N ALA 112.A O no hydrogen 2.951 N/A VAL 118.A N LEU 115.A O no hydrogen 2.999 N/A PHE 119.A N LEU 115.A O no hydrogen 3.344 N/A HIS 120.A N SER 116.A O no hydrogen 2.889 N/A GLY 121.A N ALA 117.A O no hydrogen 2.870 N/A THR 122.A N VAL 118.A O no hydrogen 2.995 N/A THR 122.A OG1 ASN 89.A OD1 no hydrogen 3.450 N/A THR 122.A OG1 VAL 118.A O no hydrogen 2.705 N/A ALA 123.A N PHE 119.A O no hydrogen 2.821 N/A ALA 124.A N HIS 120.A O no hydrogen 3.039 N/A ALA 125.A N GLY 121.A O no hydrogen 2.977 N/A LEU 126.A N THR 122.A O no hydrogen 2.890 N/A ILE 128.A N ALA 125.A O no hydrogen 3.127 N/A MET 129.A N ALA 125.A O no hydrogen 3.264 N/A GLN 130.A N LEU 126.A O no hydrogen 2.753 N/A LYS 131.A N PRO 127.A O no hydrogen 2.965 N/A GLN 132.A N ILE 128.A O no hydrogen 3.229 N/A GLY 133.A N GLN 130.A O no hydrogen 3.276 N/A TRP 134.A N MET 129.A O no hydrogen 3.363 N/A GLY 135.A N GLY 177.A O no hydrogen 3.001 N/A ARG 136.A N ASP 85.A O no hydrogen 2.943 N/A ARG 136.A NE LEU 238.A O no hydrogen 2.714 N/A ARG 136.A NH1 GLY 135.A O no hydrogen 3.110 N/A ARG 136.A NH2 SER 240.A O no hydrogen 3.074 N/A ARG 136.A NH2 ASP 244.A OD1 no hydrogen 2.833 N/A ILE 137.A N THR 179.A O no hydrogen 2.942 N/A ILE 138.A N LEU 87.A O no hydrogen 2.811 N/A ASN 139.A N ASN 181.A O no hydrogen 2.888 N/A ASN 139.A ND2 ASN 89.A OD1 no hydrogen 2.829 N/A ILE 140.A N ASN 89.A O no hydrogen 2.996 N/A ALA 141.A N ILE 183.A O no hydrogen 2.820 N/A ALA 143.A N PRO 185.A O no hydrogen 2.843 N/A HIS 144.A N SER 142.A OG no hydrogen 2.848 N/A HIS 144.A NE2 SER 149.A OG no hydrogen 2.683 N/A GLY 145.A N SER 142.A O no hydrogen 2.854 N/A LEU 146.A N ALA 143.A O no hydrogen 2.899 N/A VAL 147.A N ALA 143.A O no hydrogen 3.049 N/A SER 149.A OG HIS 144.A NE2 no hydrogen 2.683 N/A LYS 152.A NZ GLN 196.A OE1 no hydrogen 2.841 N/A VAL 156.A N LYS 152.A O no hydrogen 2.839 N/A ALA 157.A N SER 153.A O no hydrogen 2.932 N/A ALA 158.A N ALA 154.A O no hydrogen 2.815 N/A LYS 159.A N TYR 155.A O no hydrogen 2.787 N/A LYS 159.A NZ ILE 140.A O no hydrogen 2.843 N/A LYS 159.A NZ ALA 141.A O no hydrogen 3.293 N/A HIS 160.A N VAL 156.A O no hydrogen 2.862 N/A HIS 160.A ND1 HIS 144.A O no hydrogen 2.948 N/A HIS 160.A ND1 VAL 156.A O no hydrogen 3.012 N/A GLY 161.A N ALA 157.A O no hydrogen 2.908 N/A VAL 162.A N ALA 158.A O no hydrogen 2.857 N/A VAL 163.A N LYS 159.A O no hydrogen 3.025 N/A GLY 164.A N HIS 160.A O no hydrogen 3.002 N/A LEU 165.A N GLY 161.A O no hydrogen 2.792 N/A THR 166.A N VAL 162.A O no hydrogen 2.854 N/A THR 166.A OG1 ASN 139.A OD1 no hydrogen 2.966 N/A THR 166.A OG1 VAL 162.A O no hydrogen 2.733 N/A LYS 167.A N VAL 163.A O no hydrogen 3.176 N/A VAL 168.A N GLY 164.A O no hydrogen 3.091 N/A THR 169.A N LEU 165.A O no hydrogen 2.897 N/A THR 169.A OG1 LEU 165.A O no hydrogen 2.813 N/A ALA 170.A N THR 166.A O no hydrogen 2.972 N/A LEU 171.A N LYS 167.A O no hydrogen 2.980 N/A GLU 172.A N VAL 168.A O no hydrogen 2.896 N/A ASN 173.A N ALA 170.A O no hydrogen 3.188 N/A ASN 173.A ND2 GLN 130.A OE1 no hydrogen 2.862 N/A ALA 174.A N LEU 171.A O no hydrogen 3.440 N/A LYS 176.A N ASN 173.A O no hydrogen 3.070 N/A LYS 176.A NZ GLU 172.A O no hydrogen 3.207 N/A THR 179.A N GLY 135.A O no hydrogen 3.103 N/A CYS 180.A N THR 247.A OG1 no hydrogen 3.124 N/A CYS 180.A SG ILE 137.A O no hydrogen 3.798 N/A CYS 180.A SG ASN 139.A OD1 no hydrogen 3.560 N/A CYS 180.A SG THR 166.A O no hydrogen 3.734 N/A ASN 181.A N ILE 137.A O no hydrogen 3.061 N/A ASN 181.A ND2 MET 246.A O no hydrogen 2.912 N/A ALA 182.A N THR 249.A O no hydrogen 2.863 N/A ILE 183.A N ASN 139.A O no hydrogen 2.790 N/A CYS 184.A N LEU 251.A O no hydrogen 2.785 N/A CYS 184.A SG SER 142.A O no hydrogen 3.454 N/A CYS 184.A SG ALA 182.A O no hydrogen 3.721 N/A GLY 186.A N LEU 253.A O no hydrogen 2.902 N/A TRP 187.A N GLN 220.A OE1 no hydrogen 2.802 N/A ARG 189.A NE GLU 194.A OE1 no hydrogen 2.871 N/A ARG 189.A NH1 GLU 209.A OE1 no hydrogen 2.771 N/A ARG 189.A NH1 GLU 209.A OE2 no hydrogen 3.439 N/A ARG 189.A NH2 GLU 194.A OE2 no hydrogen 2.990 N/A ARG 189.A NH2 GLU 209.A OE2 no hydrogen 2.946 N/A THR 190.A N VAL 188.A O no hydrogen 2.874 N/A LEU 192.A N THR 190.A OG1 no hydrogen 3.282 N/A VAL 193.A N THR 190.A O no hydrogen 2.976 N/A GLU 194.A N THR 190.A O no hydrogen 2.777 N/A LYS 195.A N PRO 191.A O no hydrogen 3.219 N/A GLN 196.A NE2 LEU 192.A O no hydrogen 3.279 N/A ILE 197.A N VAL 193.A O no hydrogen 2.919 N/A GLU 198.A N GLU 194.A O no hydrogen 2.852 N/A ALA 199.A N LYS 195.A O no hydrogen 2.964 N/A ILE 200.A N GLN 196.A O no hydrogen 2.952 N/A SER 201.A N ILE 197.A O no hydrogen 2.842 N/A SER 201.A OG.A GLU 198.A O no hydrogen 2.629 N/A SER 201.A OG.B ILE 206.A O no hydrogen 1.888 N/A GLN 202.A N GLU 198.A O no hydrogen 2.983 N/A GLN 203.A N ALA 199.A O no hydrogen 2.978 N/A LYS 204.A N ILE 200.A O no hydrogen 2.887 N/A LYS 204.A NZ GLU 214.A OE1 no hydrogen 2.824 N/A ILE 206.A N SER 201.A O no hydrogen 3.022 N/A ALA 210.A N ASP 207.A OD2 no hydrogen 2.797 N/A ALA 211.A N ASP 207.A O no hydrogen 3.084 N/A ALA 212.A N ILE 208.A O no hydrogen 2.842 N/A ARG 213.A N GLU 209.A O no hydrogen 2.960 N/A GLU 214.A N ALA 210.A O no hydrogen 3.004 N/A LEU 215.A N ALA 211.A O no hydrogen 2.942 N/A LEU 216.A N ALA 212.A O no hydrogen 3.048 N/A ALA 217.A N ARG 213.A O no hydrogen 2.900 N/A GLU 218.A N GLU 214.A O no hydrogen 3.109 N/A LYS 219.A N LEU 216.A O no hydrogen 3.247 N/A GLN 220.A N LEU 216.A O no hydrogen 2.800 N/A GLN 220.A NE2 TRP 187.A O no hydrogen 3.276 N/A GLN 220.A NE2 GLN 224.A O no hydrogen 2.836 N/A SER 222.A N GLY 255.A O no hydrogen 2.974 N/A SER 222.A OG GLN 224.A O no hydrogen 3.296 N/A LEU 223.A N GLN 220.A O no hydrogen 2.856 N/A GLN 224.A N SER 222.A OG no hydrogen 3.265 N/A VAL 226.A N TRP 187.A O no hydrogen 2.949 N/A THR 227.A N GLN 230.A OE1 no hydrogen 2.975 N/A GLN 230.A N THR 227.A OG1 no hydrogen 2.965 N/A LEU 231.A N THR 227.A O no hydrogen 3.113 N/A GLY 232.A N PRO 228.A O no hydrogen 2.886 N/A GLY 233.A N GLU 229.A O no hydrogen 2.963 N/A ALA 234.A N GLN 230.A O no hydrogen 2.935 N/A ALA 235.A N LEU 231.A O no hydrogen 3.020 N/A VAL 236.A N GLY 232.A O no hydrogen 2.940 N/A PHE 237.A N GLY 233.A O no hydrogen 2.929 N/A LEU 238.A N ALA 234.A O no hydrogen 2.903 N/A SER 239.A N ALA 235.A O no hydrogen 3.027 N/A SER 239.A N VAL 236.A O no hydrogen 3.179 N/A SER 239.A OG ALA 235.A O no hydrogen 2.906 N/A SER 240.A N PHE 237.A O no hydrogen 2.974 N/A SER 240.A OG PHE 237.A O no hydrogen 2.710 N/A ALA 243.A N SER 240.A O no hydrogen 3.024 N/A ASP 244.A N ALA 241.A O no hydrogen 2.976 N/A MET 246.A N ALA 243.A O no hydrogen 3.011 N/A GLY 248.A N CYS 180.A O no hydrogen 2.719 N/A THR 249.A N ASN 181.A OD1 no hydrogen 3.166 N/A LEU 251.A N ALA 182.A O no hydrogen 2.892 N/A LEU 253.A N CYS 184.A O no hydrogen 3.226 N/A GLY 256.A N ASP 254.A OD1 no hydrogen 3.095 N/A TRP 257.A N ASP 254.A O no hydrogen 3.051 N/A THR 258.A N ASP 254.A OD2 no hydrogen 3.254 N/A THR 258.A OG1 ASP 254.A OD2 no hydrogen 2.702 N/A ALA 259.A N GLY 256.A O no hydrogen 3.109 N/A