Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1weg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N GLN 2.A O no hydrogen 2.993 N/A SER 7.A N ALA 3.A O no hydrogen 3.059 N/A SER 7.A OG SER 4.A O no hydrogen 3.493 N/A ALA 8.A N SER 4.A O no hydrogen 3.172 N/A GLN 9.A N GLN 5.A O no hydrogen 2.900 N/A GLN 9.A NE2 PRO 203.A O no hydrogen 2.483 N/A GLN 9.A NE2 ASN 206.A OD1 no hydrogen 2.938 N/A VAL 10.A N PHE 6.A O no hydrogen 3.062 N/A LEU 11.A N SER 7.A O no hydrogen 2.817 N/A ASP 12.A N ALA 8.A O no hydrogen 3.035 N/A TRP 13.A N GLN 9.A O no hydrogen 3.041 N/A TYR 14.A N VAL 10.A O no hydrogen 2.827 N/A TYR 14.A OH ARG 19.A O no hydrogen 2.728 N/A ASP 15.A N LEU 11.A O no hydrogen 2.953 N/A LYS 16.A N ASP 12.A O no hydrogen 3.317 N/A TYR 17.A N TRP 13.A O no hydrogen 2.862 N/A GLY 18.A N TYR 14.A O no hydrogen 2.751 N/A LYS 20.A NZ TYR 14.A O no hydrogen 3.150 N/A LYS 20.A NZ ASP 15.A O no hydrogen 3.110 N/A LYS 20.A NZ GLY 18.A O no hydrogen 2.939 N/A LEU 22.A N GLN 25.A OE1 no hydrogen 2.761 N/A GLN 25.A N LEU 22.A O no hydrogen 2.864 N/A GLN 25.A NE2 ARG 19.A O no hydrogen 2.843 N/A LYS 28.A NZ LEU 128.A O no hydrogen 2.878 N/A TYR 31.A OH PHE 59.A O no hydrogen 2.898 N/A LYS 32.A N THR 29.A OG1 no hydrogen 3.142 N/A LYS 32.A NZ ILE 26.A O no hydrogen 2.616 N/A LYS 32.A NZ ASP 27.A O no hydrogen 2.830 N/A VAL 33.A N THR 29.A O no hydrogen 2.994 N/A TRP 34.A N PRO 30.A O no hydrogen 2.882 N/A LEU 35.A N TYR 31.A O no hydrogen 2.953 N/A SER 36.A N LYS 32.A O no hydrogen 2.965 N/A SER 36.A OG LYS 32.A O no hydrogen 3.078 N/A SER 36.A OG VAL 33.A O no hydrogen 2.898 N/A GLU 37.A N VAL 33.A O no hydrogen 2.861 N/A VAL 38.A N TRP 34.A O no hydrogen 3.012 N/A MET 39.A N LEU 35.A O no hydrogen 3.159 N/A LEU 40.A N SER 36.A O no hydrogen 2.807 N/A THR 43.A OG1 MET 39.A O no hydrogen 3.478 N/A THR 43.A OG1 LEU 80.A O no hydrogen 3.287 N/A ALA 46.A N GLN 44.A OE1 no hydrogen 3.050 N/A VAL 48.A N GLN 44.A O no hydrogen 3.054 N/A ILE 49.A N VAL 45.A O no hydrogen 3.069 N/A TYR 51.A OH THR 78.A O no hydrogen 2.709 N/A PHE 52.A N VAL 48.A O no hydrogen 2.878 N/A GLU 53.A N.A ILE 49.A O no hydrogen 3.007 N/A GLU 53.A N.B ILE 49.A O no hydrogen 2.999 N/A ARG 54.A N PRO 50.A O no hydrogen 2.935 N/A PHE 55.A N TYR 51.A O no hydrogen 2.806 N/A MET 56.A N PHE 52.A O no hydrogen 2.906 N/A ALA 57.A N GLU 53.A O.A no hydrogen 3.060 N/A ALA 57.A N GLU 53.A O.B no hydrogen 3.055 N/A ARG 58.A N ARG 54.A O no hydrogen 3.076 N/A ARG 58.A NE GLU 72.A OE2 no hydrogen 2.992 N/A ARG 58.A NH1 ARG 58.A O no hydrogen 2.780 N/A ARG 58.A NH2 GLU 72.A OE1 no hydrogen 2.736 N/A PHE 59.A N PHE 55.A O no hydrogen 2.605 N/A THR 61.A N ASP 64.A OD2 no hydrogen 3.109 N/A THR 61.A OG1 ASP 64.A OD2 no hydrogen 2.634 N/A ASP 64.A N THR 61.A OG1 no hydrogen 3.283 N/A LEU 65.A N THR 61.A O no hydrogen 3.241 N/A ALA 66.A N VAL 62.A O no hydrogen 2.849 N/A ASN 67.A N THR 63.A O no hydrogen 2.970 N/A ALA 68.A N ASP 64.A O no hydrogen 3.259 N/A ALA 68.A N LEU 65.A O no hydrogen 3.364 N/A GLU 72.A N PRO 69.A O no hydrogen 2.985 N/A VAL 73.A N PRO 69.A O no hydrogen 3.351 N/A LEU 74.A N LEU 70.A O no hydrogen 2.902 N/A HIS 75.A N ASP 71.A O no hydrogen 2.986 N/A LEU 76.A N GLU 72.A O no hydrogen 3.068 N/A TRP 77.A N VAL 73.A O no hydrogen 2.977 N/A TRP 77.A N LEU 74.A O no hydrogen 3.175 N/A TRP 77.A NE1 GLY 81.A O no hydrogen 2.975 N/A THR 78.A N LEU 74.A O no hydrogen 3.062 N/A THR 78.A N HIS 75.A O no hydrogen 3.325 N/A THR 78.A OG1 LEU 74.A O no hydrogen 3.087 N/A THR 78.A OG1 HIS 75.A O no hydrogen 3.049 N/A GLY 79.A N TYR 83.A OH no hydrogen 3.416 N/A LEU 80.A N TRP 77.A O no hydrogen 2.932 N/A ARG 85.A N TYR 82.A O no hydrogen 3.152 N/A ARG 85.A NE TYR 82.A O no hydrogen 3.185 N/A ARG 85.A NH1 VAL 38.A O no hydrogen 2.919 N/A ARG 85.A NH1 MET 39.A O no hydrogen 2.956 N/A ARG 85.A NH2 THR 43.A OG1 no hydrogen 3.340 N/A ARG 85.A NH2 GLY 81.A O no hydrogen 2.870 N/A ARG 87.A N TYR 83.A O no hydrogen 2.984 N/A ASN 88.A N ALA 84.A O no hydrogen 2.914 N/A LEU 89.A N ARG 85.A O no hydrogen 2.816 N/A HIS 90.A N ALA 86.A O no hydrogen 3.001 N/A HIS 90.A NE2 ALA 68.A O no hydrogen 2.728 N/A LYS 91.A N ARG 87.A O no hydrogen 3.133 N/A ALA 92.A N ASN 88.A O no hydrogen 2.812 N/A ALA 93.A N LEU 89.A O no hydrogen 2.966 N/A GLN 94.A N HIS 90.A O no hydrogen 2.956 N/A GLN 95.A N LYS 91.A O no hydrogen 2.848 N/A VAL 96.A N ALA 92.A O no hydrogen 2.883 N/A ALA 97.A N ALA 93.A O no hydrogen 3.005 N/A THR 98.A N GLN 94.A O no hydrogen 2.874 N/A THR 98.A OG1 GLN 94.A O no hydrogen 2.738 N/A LEU 99.A N GLN 95.A O no hydrogen 2.817 N/A HIS 100.A N VAL 96.A O no hydrogen 2.953 N/A GLY 102.A N VAL 96.A O no hydrogen 3.176 N/A LYS 103.A N HIS 100.A O no hydrogen 3.115 N/A THR 107.A OG1 GLU 110.A OE1 no hydrogen 2.507 N/A VAL 111.A N THR 107.A O no hydrogen 3.125 N/A ALA 112.A N PHE 108.A O no hydrogen 2.894 N/A LEU 114.A N VAL 111.A O no hydrogen 3.026 N/A VAL 117.A N LEU 114.A O no hydrogen 3.197 N/A ARG 119.A NH1 GLU 169.A OE2 no hydrogen 3.405 N/A ALA 122.A N GLY 118.A O no hydrogen 2.924 N/A GLY 123.A N ARG 119.A O no hydrogen 3.053 N/A ALA 124.A N SER 120.A O no hydrogen 2.792 N/A ILE 125.A N THR 121.A O no hydrogen 2.879 N/A LEU 126.A N ALA 122.A O no hydrogen 3.184 N/A SER 127.A N GLY 123.A O no hydrogen 2.974 N/A SER 127.A OG GLY 123.A O no hydrogen 2.676 N/A SER 127.A OG ALA 124.A O no hydrogen 3.268 N/A LEU 128.A N ALA 124.A O no hydrogen 2.871 N/A SER 129.A N ILE 125.A O no hydrogen 3.065 N/A SER 129.A OG ILE 125.A O no hydrogen 2.539 N/A LEU 130.A N LEU 126.A O no hydrogen 3.076 N/A GLY 131.A N SER 127.A O no hydrogen 2.915 N/A LYS 132.A N LEU 126.A O no hydrogen 3.154 N/A PHE 134.A N LYS 132.A O no hydrogen 3.015 N/A LEU 137.A N SER 120.A OG no hydrogen 2.824 N/A VAL 141.A N ASP 138.A OD1 no hydrogen 2.971 N/A ALA 142.A N ASP 138.A O no hydrogen 2.819 N/A ARG 143.A N GLY 139.A O no hydrogen 3.163 N/A ARG 143.A NE CYS 192.A O no hydrogen 2.630 N/A ARG 143.A NH2 ASN 140.A OD1 no hydrogen 2.780 N/A ARG 143.A NH2 GLY 188.A O no hydrogen 2.677 N/A ARG 143.A NH2 CYS 192.A O no hydrogen 3.445 N/A VAL 144.A N ASN 140.A O no hydrogen 3.323 N/A LEU 145.A N VAL 141.A O no hydrogen 3.061 N/A ALA 146.A N ALA 142.A O no hydrogen 2.871 N/A ARG 147.A N ARG 143.A O no hydrogen 3.035 N/A ARG 147.A NE TRP 216.A O no hydrogen 3.113 N/A ARG 147.A NE TYR 219.A O no hydrogen 2.998 N/A ARG 147.A NH1 THR 193.A O no hydrogen 2.743 N/A ARG 147.A NH2 THR 193.A O no hydrogen 3.363 N/A ARG 147.A NH2 ARG 194.A O no hydrogen 2.892 N/A ARG 147.A NH2 TRP 216.A O no hydrogen 3.539 N/A CYS 148.A N.A VAL 144.A O no hydrogen 3.019 N/A CYS 148.A N.B VAL 144.A O no hydrogen 3.020 N/A CYS 148.A SG.B VAL 144.A O no hydrogen 3.287 N/A TYR 149.A N LEU 145.A O no hydrogen 2.917 N/A TYR 149.A OH MET 1.A O no hydrogen 3.264 N/A ALA 150.A N ARG 147.A O no hydrogen 3.396 N/A VAL 151.A N ALA 146.A O no hydrogen 2.747 N/A LYS 157.A N TRP 154.A O no hydrogen 2.784 N/A LYS 158.A NZ ASN 162.A OD1 no hydrogen 2.762 N/A GLU 161.A N LYS 157.A O no hydrogen 2.975 N/A ASN 162.A N LYS 158.A O no hydrogen 2.990 N/A LYS 163.A N GLU 159.A O no hydrogen 2.986 N/A LEU 164.A N VAL 160.A O no hydrogen 2.919 N/A TRP 165.A N GLU 161.A O no hydrogen 2.877 N/A SER 166.A N ASN 162.A O no hydrogen 2.989 N/A LEU 167.A N LYS 163.A O no hydrogen 3.111 N/A SER 168.A N LEU 164.A O no hydrogen 2.941 N/A SER 168.A OG ILE 136.A O no hydrogen 2.740 N/A GLU 169.A N TRP 165.A O no hydrogen 2.968 N/A GLN 170.A N SER 166.A O no hydrogen 2.973 N/A GLN 170.A NE2 SER 166.A O no hydrogen 3.254 N/A GLN 170.A NE2 SER 166.A OG no hydrogen 3.023 N/A VAL 171.A N LEU 167.A O no hydrogen 3.067 N/A THR 172.A N SER 168.A O no hydrogen 2.968 N/A THR 172.A OG1 SER 168.A O no hydrogen 2.578 N/A VAL 177.A N ALA 174.A O no hydrogen 3.304 N/A GLU 178.A N GLU 178.A OE2 no hydrogen 2.546 N/A PHE 180.A N GLY 176.A O no hydrogen 2.954 N/A ASN 181.A N VAL 177.A O no hydrogen 2.873 N/A ASN 181.A ND2 SER 127.A OG no hydrogen 2.936 N/A ASN 181.A ND2 PHE 134.A O no hydrogen 2.933 N/A GLN 182.A N GLU 178.A O no hydrogen 3.375 N/A GLN 182.A NE2 GLN 182.A O no hydrogen 3.227 N/A GLN 182.A NE2 ASP 186.A OD1 no hydrogen 3.184 N/A ALA 183.A N ARG 179.A O no hydrogen 2.936 N/A MET 184.A N PHE 180.A O no hydrogen 2.895 N/A MET 185.A N ASN 181.A O no hydrogen 3.211 N/A ASP 186.A N GLN 182.A O no hydrogen 2.928 N/A LEU 187.A N ALA 183.A O no hydrogen 2.824 N/A GLY 188.A N MET 184.A O no hydrogen 3.099 N/A ALA 189.A N MET 185.A O no hydrogen 3.019 N/A ALA 189.A N ASP 186.A O no hydrogen 3.138 N/A MET 190.A N ASP 186.A O no hydrogen 2.765 N/A ILE 191.A N LEU 187.A O no hydrogen 2.792 N/A CYS 192.A N LEU 187.A O no hydrogen 2.711 N/A THR 193.A OG1 SER 195.A O no hydrogen 2.673 N/A LYS 198.A N ILE 191.A O no hydrogen 2.899 N/A CYS 199.A SG PRO 197.A O no hydrogen 3.863 N/A LEU 201.A N LYS 198.A O no hydrogen 2.882 N/A CYS 202.A N CYS 199.A O no hydrogen 3.037 N/A GLN 205.A N CYS 202.A O no hydrogen 3.342 N/A ASN 206.A ND2 GLN 5.A OE1 no hydrogen 3.596 N/A ASN 206.A ND2 GLN 9.A OE1 no hydrogen 3.026 N/A GLY 207.A N LEU 204.A O no hydrogen 3.096 N/A CYS 208.A N LEU 204.A O no hydrogen 2.840 N/A ILE 209.A N CYS 148.A O.A no hydrogen 3.068 N/A ILE 209.A N CYS 148.A O.B no hydrogen 3.013 N/A ALA 210.A N ARG 147.A O no hydrogen 3.044 N/A ALA 212.A N CYS 208.A O no hydrogen 3.081 N/A ASN 213.A N ILE 209.A O no hydrogen 3.083 N/A ASN 213.A ND2 ILE 209.A O no hydrogen 2.992 N/A ASN 214.A N ALA 211.A O no hydrogen 3.331 N/A SER 215.A N ALA 210.A O no hydrogen 2.819 N/A LEU 218.A N SER 215.A O no hydrogen 2.987 N/A TYR 219.A N TRP 216.A O no hydrogen 3.245 N/A GLY 221.A N GLY 153.A O no hydrogen 2.986 N/A LYS 222.A NZ PRO 220.A O no hydrogen 3.422 N/A