Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3llm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 ILE 174.A O no hydrogen 2.888 N/A ASN 10.A ND2 ASN 18.A OD1 no hydrogen 3.355 N/A TRP 11.A N GLN 8.A O no hydrogen 3.079 N/A ASN 12.A N SER 17.A O no hydrogen 2.836 N/A TRP 14.A N ASN 12.A OD1 no hydrogen 2.810 N/A TRP 14.A NE1 SER 155.A OG no hydrogen 3.061 N/A THR 15.A N ASN 12.A OD1 no hydrogen 3.035 N/A THR 15.A OG1 SER 17.A OG no hydrogen 2.760 N/A SER 17.A N ASN 12.A O no hydrogen 3.271 N/A SER 17.A OG THR 15.A O no hydrogen 3.521 N/A SER 17.A OG THR 15.A OG1 no hydrogen 2.760 N/A ILE 19.A N ASN 10.A O no hydrogen 2.873 N/A ALA 27.A N LEU 24.A O no hydrogen 3.115 N/A THR 28.A N GLN 31.A OE1 no hydrogen 3.147 N/A THR 28.A OG1 GLN 31.A OE1 no hydrogen 2.940 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.556 N/A ILE 32.A N THR 28.A O no hydrogen 2.879 N/A SER 33.A N PRO 29.A O no hydrogen 2.781 N/A SER 33.A OG PRO 29.A O no hydrogen 2.970 N/A LEU 35.A N ILE 32.A O no hydrogen 3.072 N/A LYS 36.A N SER 33.A O no hydrogen 2.928 N/A LYS 36.A NZ GLN 101.A O no hydrogen 3.242 N/A LYS 36.A NZ ASP 103.A OD1 no hydrogen 2.990 N/A GLU 38.A N ASP 34.A O no hydrogen 2.830 N/A LEU 39.A N LEU 35.A O no hydrogen 3.092 N/A GLN 41.A N GLU 38.A O no hydrogen 3.210 N/A GLN 41.A NE2 ARG 131.A O no hydrogen 3.085 N/A LEU 42.A N LEU 39.A O no hydrogen 3.092 N/A GLN 44.A N TYR 40.A O no hydrogen 3.124 N/A ASP 45.A N GLN 41.A O no hydrogen 2.957 N/A HIS 46.A ND1 GLN 49.A OE1 no hydrogen 2.920 N/A GLN 49.A N HIS 46.A O no hydrogen 3.253 N/A ALA 50.A N HIS 46.A O no hydrogen 3.436 N/A LEU 52.A N LEU 48.A O no hydrogen 3.002 N/A GLN 53.A N GLN 49.A O no hydrogen 3.290 N/A GLU 54.A N ALA 50.A O no hydrogen 3.099 N/A ARG 55.A N ILE 51.A O no hydrogen 2.919 N/A ARG 55.A NE GLN 90.A OE1 no hydrogen 2.657 N/A ARG 55.A NH2 GLN 90.A OE1 no hydrogen 3.280 N/A GLU 56.A N LEU 52.A O no hydrogen 3.137 N/A GLU 56.A N GLN 53.A O no hydrogen 3.091 N/A LEU 58.A N ARG 55.A O no hydrogen 3.186 N/A VAL 60.A N CYS 85.A O no hydrogen 3.223 N/A LYS 61.A N LEU 58.A O no hydrogen 2.961 N/A LYS 61.A NZ GLU 64.A OE1 no hydrogen 2.896 N/A LYS 62.A NZ PRO 59.A O no hydrogen 3.310 N/A PHE 63.A N VAL 60.A O no hydrogen 2.795 N/A GLU 64.A N LYS 61.A O no hydrogen 2.907 N/A ILE 67.A N PHE 63.A O no hydrogen 2.989 N/A LEU 68.A N GLU 64.A O no hydrogen 3.024 N/A GLU 69.A N SER 65.A O no hydrogen 2.915 N/A ALA 70.A N GLU 66.A O no hydrogen 2.935 N/A ILE 71.A N ILE 67.A O no hydrogen 2.959 N/A SER 72.A N LEU 68.A O no hydrogen 2.987 N/A SER 72.A OG LEU 68.A O no hydrogen 2.711 N/A SER 72.A OG GLU 69.A O no hydrogen 3.048 N/A GLN 73.A N GLU 69.A O no hydrogen 3.129 N/A ASN 74.A N ILE 71.A O no hydrogen 3.297 N/A ASN 74.A ND2 ALA 70.A O no hydrogen 2.767 N/A SER 75.A OG PRO 204.A O no hydrogen 2.995 N/A VAL 77.A N ILE 208.A O no hydrogen 2.972 N/A ILE 79.A N LEU 210.A O no hydrogen 2.772 N/A ARG 80.A N ILE 228.A O no hydrogen 3.054 N/A ARG 80.A NE GLU 229.A OE1 no hydrogen 2.965 N/A ARG 80.A NE GLU 229.A OE2 no hydrogen 3.279 N/A ARG 80.A NH1 ILE 214.A O no hydrogen 2.570 N/A GLY 81.A N SER 211.A O no hydrogen 3.178 N/A CYS 85.A N ALA 82.A O no hydrogen 3.292 N/A CYS 85.A SG VAL 230.A O no hydrogen 3.432 N/A LYS 87.A NZ GLY 81.A O no hydrogen 3.244 N/A LYS 87.A NZ ALA 82.A O no hydrogen 3.232 N/A THR 88.A OG1 ASP 180.A OD1 no hydrogen 3.449 N/A THR 88.A OG1 ASP 180.A OD2 no hydrogen 2.405 N/A THR 88.A OG1 GLU 181.A OE2 no hydrogen 2.961 N/A GLN 90.A N GLY 86.A O no hydrogen 3.010 N/A GLN 90.A NE2 THR 89.A OG1 no hydrogen 3.280 N/A GLN 90.A NE2 GLU 130.A OE1 no hydrogen 2.545 N/A VAL 91.A N LYS 87.A O no hydrogen 3.128 N/A GLN 93.A NE2 THR 89.A O no hydrogen 2.903 N/A GLN 93.A NE2 GLU 130.A OE1 no hydrogen 2.905 N/A PHE 94.A N GLN 90.A O no hydrogen 2.872 N/A ILE 95.A N VAL 91.A O no hydrogen 3.019 N/A LEU 96.A N PRO 92.A O no hydrogen 2.962 N/A ASP 97.A N GLN 93.A O no hydrogen 2.786 N/A ASP 98.A N PHE 94.A O no hydrogen 2.995 N/A PHE 99.A N ILE 95.A O no hydrogen 3.295 N/A ILE 100.A N LEU 96.A O no hydrogen 2.921 N/A GLN 101.A N ASP 97.A O no hydrogen 2.858 N/A ASN 102.A N ASP 98.A O no hydrogen 3.174 N/A ASP 103.A N ILE 100.A O no hydrogen 3.311 N/A ARG 104.A N PHE 99.A O no hydrogen 2.886 N/A ARG 104.A NH2 ASP 98.A OD2 no hydrogen 2.886 N/A ALA 106.A N SER 33.A OG no hydrogen 2.994 N/A GLU 107.A N ARG 104.A O no hydrogen 2.801 N/A CYS 108.A N ALA 105.A O no hydrogen 3.343 N/A ASN 109.A N SER 175.A OG no hydrogen 3.122 N/A ASN 109.A ND2 PRO 152.A O no hydrogen 3.120 N/A ILE 110.A N SER 155.A O no hydrogen 2.948 N/A VAL 111.A N HIS 176.A O no hydrogen 3.096 N/A THR 113.A N ILE 178.A O no hydrogen 2.815 N/A GLN 114.A N CYS 158.A O no hydrogen 2.836 N/A GLN 114.A NE2 ASP 180.A OD2 no hydrogen 2.862 N/A ARG 116.A NH1 GLU 184.A OE2 no hydrogen 3.523 N/A ARG 116.A NH2 GLU 184.A OE1 no hydrogen 2.798 N/A ALA 120.A N ARG 116.A O no hydrogen 3.192 N/A VAL 121.A N ARG 117.A O no hydrogen 3.234 N/A SER 122.A N ILE 118.A O no hydrogen 2.898 N/A VAL 123.A N SER 119.A O no hydrogen 2.766 N/A ALA 124.A N ALA 120.A O no hydrogen 3.057 N/A GLU 125.A N VAL 121.A O no hydrogen 2.872 N/A ARG 126.A N SER 122.A O no hydrogen 2.997 N/A ARG 126.A NE GLU 130.A OE2 no hydrogen 2.920 N/A ARG 126.A NH2 GLU 130.A OE2 no hydrogen 3.221 N/A VAL 127.A N VAL 123.A O no hydrogen 2.906 N/A ALA 128.A N ALA 124.A O no hydrogen 3.035 N/A PHE 129.A N GLU 125.A O no hydrogen 3.157 N/A GLU 130.A N ARG 126.A O no hydrogen 2.873 N/A ARG 131.A N ALA 128.A O no hydrogen 2.961 N/A ARG 131.A NE SER 138.A OG no hydrogen 3.335 N/A ARG 131.A NH1 GLN 93.A OE1 no hydrogen 2.869 N/A ARG 131.A NH1 ASP 97.A OD1 no hydrogen 3.502 N/A ARG 131.A NH1 ASP 97.A OD2 no hydrogen 3.183 N/A ARG 131.A NH2 ASP 97.A OD1 no hydrogen 2.716 N/A GLY 132.A N PHE 129.A O no hydrogen 3.132 N/A GLU 133.A N ALA 128.A O no hydrogen 2.976 N/A GLY 136.A N CYS 139.A O no hydrogen 2.759 N/A LYS 137.A NZ GLU 38.A OE1 no hydrogen 2.820 N/A SER 138.A N GLU 133.A OE1 no hydrogen 3.114 N/A SER 138.A OG GLU 133.A OE1 no hydrogen 2.710 N/A CYS 139.A SG SER 138.A OG no hydrogen 3.717 N/A GLY 140.A N ILE 156.A O no hydrogen 3.027 N/A TYR 141.A N ILE 148.A O no hydrogen 3.086 N/A SER 142.A N PHE 157.A O no hydrogen 3.157 N/A VAL 143.A N GLU 146.A O no hydrogen 2.907 N/A GLU 146.A N VAL 143.A O no hydrogen 3.196 N/A ARG 151.A N LYS 137.A O no hydrogen 2.823 N/A ARG 151.A NE HIS 153.A O no hydrogen 2.979 N/A ARG 151.A NE ALA 154.A O no hydrogen 3.205 N/A ARG 151.A NH2 ALA 154.A O no hydrogen 2.816 N/A HIS 153.A NE2 SER 9.A O no hydrogen 2.961 N/A SER 155.A OG ARG 151.A O no hydrogen 2.594 N/A ILE 156.A N SER 138.A O no hydrogen 2.866 N/A CYS 158.A N VAL 112.A O no hydrogen 2.928 N/A CYS 158.A SG THR 159.A O no hydrogen 3.422 N/A LEU 163.A N THR 159.A O no hydrogen 3.299 N/A LEU 164.A N VAL 160.A O no hydrogen 2.896 N/A ARG 165.A N GLY 161.A O no hydrogen 2.975 N/A LYS 166.A N VAL 162.A O no hydrogen 3.093 N/A LYS 166.A NZ PRO 13.A O no hydrogen 2.733 N/A LYS 166.A NZ TRP 14.A O no hydrogen 3.456 N/A LEU 167.A N LEU 163.A O no hydrogen 2.785 N/A GLU 168.A N LEU 164.A O no hydrogen 3.400 N/A ALA 169.A N LYS 166.A O no hydrogen 2.871 N/A GLY 170.A N LYS 166.A O no hydrogen 2.748 N/A ARG 172.A NH2 GLN 8.A OE1 no hydrogen 2.856 N/A GLY 173.A N SER 5.A O no hydrogen 2.906 N/A ILE 174.A N ILE 171.A O no hydrogen 3.434 N/A SER 175.A N ASN 109.A O no hydrogen 2.741 N/A SER 175.A OG ASN 109.A O no hydrogen 3.228 N/A SER 175.A OG HIS 176.A ND1 no hydrogen 2.541 N/A HIS 176.A N ASN 109.A O no hydrogen 3.210 N/A HIS 176.A ND1 SER 175.A OG no hydrogen 2.541 N/A VAL 177.A N ARG 207.A O no hydrogen 2.795 N/A ILE 178.A N VAL 111.A O no hydrogen 2.891 N/A VAL 179.A N VAL 209.A O no hydrogen 2.865 N/A ASP 180.A N THR 113.A O no hydrogen 3.209 N/A GLU 181.A N ASP 180.A OD1 no hydrogen 2.717 N/A GLU 184.A N GLU 181.A O no hydrogen 3.225 N/A THR 189.A N ASP 186.A OD2 no hydrogen 2.897 N/A THR 189.A OG1 ASP 186.A OD2 no hydrogen 3.020 N/A ASP 190.A N ASP 186.A O no hydrogen 3.109 N/A PHE 191.A N ILE 187.A O no hydrogen 2.924 N/A LEU 192.A N ASN 188.A O no hydrogen 2.951 N/A LEU 193.A N THR 189.A O no hydrogen 3.172 N/A VAL 194.A N ASP 190.A O no hydrogen 3.179 N/A VAL 195.A N PHE 191.A O no hydrogen 3.097 N/A LEU 196.A N LEU 192.A O no hydrogen 2.764 N/A ARG 197.A N LEU 193.A O no hydrogen 2.890 N/A ARG 197.A NE TYR 221.A O no hydrogen 2.999 N/A ARG 197.A NH2 TYR 221.A O no hydrogen 3.093 N/A ASP 198.A N VAL 194.A O no hydrogen 3.103 N/A VAL 199.A N VAL 195.A O no hydrogen 3.114 N/A VAL 200.A N LEU 196.A O no hydrogen 3.031 N/A GLN 201.A N ARG 197.A O no hydrogen 3.209 N/A ALA 202.A N ASP 198.A O no hydrogen 3.236 N/A TYR 203.A N VAL 199.A O no hydrogen 2.773 N/A TYR 203.A OH VAL 2.A O no hydrogen 3.337 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.867 N/A VAL 206.A N TYR 203.A O no hydrogen 2.958 N/A ARG 207.A N SER 175.A O no hydrogen 3.214 N/A ARG 207.A NE ILE 71.A O no hydrogen 2.948 N/A ARG 207.A NH1 VAL 206.A O no hydrogen 3.375 N/A ARG 207.A NH2 SER 72.A O no hydrogen 2.749 N/A ILE 208.A N SER 75.A O no hydrogen 2.801 N/A VAL 209.A N VAL 177.A O no hydrogen 2.954 N/A LEU 210.A N VAL 77.A O no hydrogen 2.886 N/A SER 211.A OG ALA 212.A O no hydrogen 2.626 N/A ALA 212.A N HIS 183.A ND1 no hydrogen 3.261 N/A THR 213.A OG1 THR 213.A O no hydrogen 2.550 N/A SER 217.A OG ASP 215.A OD2 no hydrogen 2.719 N/A CYS 219.A N THR 216.A O no hydrogen 3.031 N/A CYS 219.A SG CYS 225.A O no hydrogen 3.160 N/A GLU 220.A N SER 217.A O no hydrogen 2.786 N/A PHE 222.A N PHE 218.A O no hydrogen 2.986 N/A CYS 225.A N CYS 219.A O no hydrogen 3.433 N/A CYS 225.A SG PRO 226.A O no hydrogen 3.368 N/A ILE 228.A N ILE 78.A O no hydrogen 2.786 N/A