Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qq5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N GLU 166.A O no hydrogen 2.798 N/A LYS 3.A NZ GLU 166.A OE2 no hydrogen 2.748 N/A ALA 4.A N GLU 166.A O no hydrogen 3.133 N/A VAL 5.A N LYS 109.A O no hydrogen 2.799 N/A VAL 6.A N LEU 168.A O no hydrogen 2.926 N/A PHE 7.A N ALA 111.A O no hydrogen 2.778 N/A ASP 8.A N VAL 170.A O no hydrogen 2.858 N/A GLY 11.A N PHE 14.A O no hydrogen 2.749 N/A THR 12.A N ALA 9.A O no hydrogen 3.060 N/A THR 12.A OG1 ASP 8.A OD2 no hydrogen 2.577 N/A THR 12.A OG1 SER 172.A OG.A no hydrogen 3.387 N/A LEU 13.A N ALA 9.A O no hydrogen 3.009 N/A PHE 14.A N ALA 9.A O no hydrogen 3.135 N/A ASP 15.A N THR 93.A O no hydrogen 2.886 N/A GLN 17.A N ASP 15.A OD1 no hydrogen 2.863 N/A GLN 17.A NE2 GLN 36.A OE1 no hydrogen 3.310 N/A SER 18.A N ASP 15.A O no hydrogen 3.016 N/A SER 18.A OG ASP 15.A O no hydrogen 2.682 N/A ALA 20.A N GLN 17.A O no hydrogen 3.023 N/A THR 23.A N VAL 19.A O no hydrogen 3.088 N/A THR 23.A OG1 VAL 19.A O no hydrogen 3.328 N/A THR 23.A OG1 ALA 20.A O no hydrogen 2.921 N/A THR 23.A OG1 GLY 31.A O no hydrogen 3.119 N/A THR 23.A OG1 THR 35.A OG1 no hydrogen 3.173 N/A GLU 24.A N ALA 20.A O no hydrogen 3.114 N/A ARG 25.A N ASP 21.A O no hydrogen 3.251 N/A ALA 26.A N ALA 22.A O no hydrogen 3.210 N/A TYR 27.A N THR 23.A O no hydrogen 3.162 N/A GLY 29.A N GLU 24.A OE2 no hydrogen 2.667 N/A ARG 30.A N TYR 27.A O no hydrogen 2.877 N/A ARG 30.A NH1 GLY 29.A O no hydrogen 2.704 N/A GLY 31.A N GLU 24.A OE1 no hydrogen 3.052 N/A TYR 33.A OH THR 72.A OG1 no hydrogen 2.797 N/A ILE 34.A N ARG 30.A O no hydrogen 3.036 N/A THR 35.A N GLY 31.A O no hydrogen 2.970 N/A THR 35.A OG1 THR 23.A OG1 no hydrogen 3.173 N/A THR 35.A OG1 GLY 31.A O no hydrogen 2.799 N/A GLN 36.A N GLU 32.A O no hydrogen 3.141 N/A GLN 36.A NE2 GLN 17.A OE1 no hydrogen 2.910 N/A GLN 36.A NE2 GLU 32.A O no hydrogen 3.539 N/A VAL 37.A N TYR 33.A O no hydrogen 3.047 N/A TRP 38.A N ILE 34.A O no hydrogen 2.848 N/A TRP 38.A NE1 THR 62.A O no hydrogen 2.992 N/A ARG 39.A N THR 35.A O no hydrogen 3.248 N/A ARG 39.A NH1 GLN 42.A OE1 no hydrogen 2.872 N/A ARG 39.A NH2 ASN 173.A OD1 no hydrogen 3.521 N/A GLN 40.A N GLN 36.A O no hydrogen 2.996 N/A GLN 40.A NE2 GLU 44.A OE2 no hydrogen 3.023 N/A LYS 41.A N VAL 37.A O no hydrogen 2.859 N/A LYS 41.A NZ GLU 44.A OE1 no hydrogen 2.835 N/A GLN 42.A N TRP 38.A O no hydrogen 2.860 N/A GLN 42.A NE2 THR 62.A OG1 no hydrogen 2.975 N/A LEU 43.A N ARG 39.A O no hydrogen 3.115 N/A GLU 44.A N GLN 40.A O no hydrogen 2.971 N/A TYR 45.A N LYS 41.A O no hydrogen 2.815 N/A SER 46.A N GLN 42.A O no hydrogen 3.101 N/A SER 46.A OG LEU 43.A O no hydrogen 2.649 N/A TRP 47.A N LEU 43.A O no hydrogen 3.014 N/A LEU 48.A N GLU 44.A O no hydrogen 2.820 N/A ARG 49.A N TYR 45.A O no hydrogen 2.969 N/A ARG 49.A NE GLU 64.A OE1 no hydrogen 3.065 N/A ARG 49.A NH1 ARG 54.A O no hydrogen 2.765 N/A ARG 49.A NH2 GLU 64.A OE2 no hydrogen 2.767 N/A ALA 50.A N SER 46.A O no hydrogen 3.255 N/A LEU 51.A N TRP 47.A O no hydrogen 2.905 N/A MET 52.A N LEU 48.A O no hydrogen 2.922 N/A GLY 53.A N ALA 50.A O no hydrogen 2.973 N/A ARG 54.A N ARG 49.A O no hydrogen 2.828 N/A TYR 55.A OH ASP 141.A OD1 no hydrogen 2.647 N/A TRP 59.A N ASP 57.A OD1 no hydrogen 2.864 N/A SER 60.A N ASP 57.A OD1 no hydrogen 3.015 N/A VAL 61.A N ASP 57.A O no hydrogen 3.061 N/A THR 62.A N PHE 58.A O no hydrogen 2.829 N/A THR 62.A OG1 PHE 58.A O no hydrogen 2.604 N/A ARG 63.A N TRP 59.A O no hydrogen 3.142 N/A ARG 63.A NE TRP 59.A O no hydrogen 3.230 N/A ARG 63.A NH1 GLU 79.A OE2.A no hydrogen 2.820 N/A GLU 64.A N SER 60.A O no hydrogen 2.796 N/A ALA 65.A N VAL 61.A O no hydrogen 2.873 N/A LEU 66.A N THR 62.A O no hydrogen 3.073 N/A ALA 67.A N ARG 63.A O no hydrogen 2.902 N/A TYR 68.A N GLU 64.A O no hydrogen 2.909 N/A THR 69.A N ALA 65.A O no hydrogen 2.971 N/A THR 69.A OG1 ALA 65.A O no hydrogen 2.799 N/A LEU 70.A N LEU 66.A O no hydrogen 2.938 N/A GLY 71.A N ALA 67.A O no hydrogen 2.945 N/A THR 72.A N TYR 68.A O no hydrogen 3.106 N/A THR 72.A N THR 69.A O no hydrogen 3.274 N/A THR 72.A OG1 TYR 33.A OH no hydrogen 2.797 N/A THR 72.A OG1 THR 69.A O no hydrogen 2.606 N/A LEU 73.A N LEU 70.A O no hydrogen 3.131 N/A GLY 74.A N GLY 71.A O no hydrogen 2.887 N/A LEU 75.A N LEU 70.A O no hydrogen 3.178 N/A PHE 81.A N ASP 78.A OD1 no hydrogen 2.681 N/A LEU 82.A N ASP 78.A O no hydrogen 3.075 N/A ALA 83.A N GLU 79.A O no hydrogen 2.813 N/A ASP 84.A N SER 80.A O no hydrogen 3.144 N/A MET 85.A N PHE 81.A O no hydrogen 2.986 N/A ALA 86.A N LEU 82.A O no hydrogen 2.889 N/A GLN 87.A N ASP 84.A O no hydrogen 3.254 N/A ALA 88.A N MET 85.A O no hydrogen 2.968 N/A TYR 89.A N ALA 86.A O no hydrogen 3.013 N/A ASN 90.A N GLN 87.A O no hydrogen 2.756 N/A ASN 90.A ND2 GLN 87.A OE1 no hydrogen 3.085 N/A ARG 91.A N ALA 88.A O no hydrogen 3.119 N/A THR 93.A N SER 18.A OG no hydrogen 2.958 N/A TYR 95.A N LEU 13.A O no hydrogen 2.885 N/A ALA 98.A N TYR 95.A O no hydrogen 2.970 N/A GLN 100.A NE2 GLU 104.A OE2 no hydrogen 3.316 N/A CYS 101.A N ASP 97.A O no hydrogen 3.044 N/A CYS 101.A SG LEU 234.A O no hydrogen 3.128 N/A LEU 102.A N ALA 98.A O no hydrogen 2.865 N/A ALA 103.A N ALA 99.A O no hydrogen 3.043 N/A GLU 104.A N GLN 100.A O no hydrogen 3.011 N/A LEU 105.A N CYS 101.A O no hydrogen 3.098 N/A LEU 105.A N LEU 102.A O no hydrogen 3.271 N/A LEU 108.A N LEU 105.A O no hydrogen 3.046 N/A LYS 109.A N LYS 3.A O no hydrogen 3.080 N/A LYS 109.A NZ.A LEU 160.A O no hydrogen 2.960 N/A ARG 110.A N ASP 135.A OD2 no hydrogen 2.680 N/A ARG 110.A NH1 LEU 102.A O no hydrogen 2.621 N/A ALA 111.A N VAL 5.A O no hydrogen 3.059 N/A ILE 112.A N ALA 136.A O no hydrogen 3.045 N/A LEU 113.A N PHE 7.A O no hydrogen 2.943 N/A SER 114.A N ILE 138.A O no hydrogen 2.922 N/A GLY 116.A N SER 114.A OG no hydrogen 2.890 N/A LEU 121.A N ALA 117.A O no hydrogen 3.025 N/A GLN 122.A N PRO 118.A O no hydrogen 3.102 N/A ALA 123.A N ASP 119.A O no hydrogen 3.128 N/A LEU 124.A N MET 120.A O no hydrogen 2.856 N/A VAL 125.A N LEU 121.A O no hydrogen 2.798 N/A ALA 126.A N GLN 122.A O no hydrogen 2.874 N/A ASN 127.A N ALA 123.A O no hydrogen 2.989 N/A ALA 128.A N VAL 125.A O no hydrogen 3.305 N/A GLY 129.A N ALA 126.A O no hydrogen 2.780 N/A LEU 130.A N VAL 125.A O no hydrogen 3.039 N/A SER 133.A N LEU 130.A O no hydrogen 2.915 N/A ASP 135.A N ARG 110.A O no hydrogen 2.621 N/A ILE 138.A N ILE 112.A O no hydrogen 2.657 N/A SER 139.A OG GLY 116.A O no hydrogen 2.713 N/A VAL 140.A N SER 114.A O no hydrogen 3.110 N/A ASP 141.A N SER 139.A OG no hydrogen 2.997 N/A LYS 143.A N VAL 140.A O no hydrogen 2.823 N/A LYS 143.A NZ GLU 158.A OE2 no hydrogen 2.747 N/A ARG 144.A N VAL 140.A O no hydrogen 3.265 N/A ARG 144.A N ASP 141.A O no hydrogen 2.874 N/A LYS 147.A N ASN 115.A OD1 no hydrogen 2.961 N/A LYS 147.A NZ ASP 8.A OD1 no hydrogen 2.721 N/A LYS 147.A NZ LEU 113.A O no hydrogen 2.914 N/A LYS 147.A NZ ASP 176.A OD1 no hydrogen 3.461 N/A LYS 147.A NZ ASP 176.A OD2 no hydrogen 3.012 N/A HIS 149.A N PHE 146.A O no hydrogen 2.998 N/A ASP 151.A N HIS 149.A ND1 no hydrogen 2.997 N/A SER 152.A N HIS 149.A O no hydrogen 3.019 N/A SER 152.A OG HIS 149.A O no hydrogen 2.614 N/A TYR 153.A OH ASP 176.A OD1 no hydrogen 2.549 N/A ALA 154.A N PRO 150.A O no hydrogen 3.016 N/A LEU 155.A N SER 152.A O no hydrogen 3.421 N/A VAL 156.A N TYR 153.A O no hydrogen 3.149 N/A VAL 159.A N LEU 155.A O no hydrogen 2.883 N/A VAL 159.A N VAL 156.A O no hydrogen 3.291 N/A LEU 160.A N VAL 156.A O no hydrogen 2.813 N/A GLY 161.A N GLU 157.A O no hydrogen 2.768 N/A THR 163.A N GLU 166.A OE1 no hydrogen 2.941 N/A GLU 166.A N THR 163.A O no hydrogen 2.752 N/A VAL 167.A N PRO 164.A O no hydrogen 3.104 N/A LEU 168.A N ALA 4.A O no hydrogen 2.843 N/A PHE 169.A N SER 186.A O no hydrogen 2.756 N/A VAL 170.A N VAL 6.A O no hydrogen 2.799 N/A SER 171.A N ALA 188.A O no hydrogen 3.244 N/A SER 171.A OG ASP 176.A OD2 no hydrogen 2.985 N/A SER 172.A N THR 12.A OG1 no hydrogen 2.886 N/A SER 172.A OG.A GLY 11.A O no hydrogen 2.600 N/A SER 172.A OG.A THR 12.A OG1 no hydrogen 3.387 N/A SER 172.A OG.B GLY 11.A O no hydrogen 3.468 N/A SER 172.A OG.B VAL 190.A O no hydrogen 3.267 N/A ASN 173.A N SER 171.A OG no hydrogen 3.100 N/A ASN 173.A ND2 ASP 8.A OD2 no hydrogen 2.944 N/A ASN 173.A ND2 TYR 10.A O no hydrogen 3.097 N/A ASP 176.A N ASN 173.A O no hydrogen 2.954 N/A VAL 177.A N ASN 173.A O no hydrogen 2.820 N/A GLY 178.A N GLY 174.A O no hydrogen 2.933 N/A GLY 179.A N PHE 175.A O no hydrogen 2.938 N/A ALA 180.A N ASP 176.A O no hydrogen 2.926 N/A LYS 181.A N VAL 177.A O no hydrogen 3.054 N/A LYS 181.A NZ ASP 228.A OD1 no hydrogen 2.621 N/A LYS 181.A NZ ASP 228.A OD2 no hydrogen 3.275 N/A ASN 182.A N GLY 178.A O no hydrogen 2.942 N/A PHE 183.A N GLY 179.A O no hydrogen 3.051 N/A GLY 184.A N ALA 180.A O no hydrogen 3.085 N/A PHE 185.A N ALA 180.A O no hydrogen 3.038 N/A SER 186.A N VAL 167.A O no hydrogen 3.178 N/A SER 186.A OG.B VAL 167.A O no hydrogen 2.536 N/A VAL 187.A N ASP 228.A OD1 no hydrogen 2.735 N/A ALA 188.A N PHE 169.A O no hydrogen 2.796 N/A ARG 189.A N PHE 229.A O no hydrogen 2.817 N/A ARG 189.A NH1 GLU 220.A OE2 no hydrogen 3.105 N/A ARG 189.A NH2 MET 218.A O no hydrogen 3.241 N/A VAL 190.A N SER 171.A O no hydrogen 2.962 N/A ALA 191.A N VAL 231.A O no hydrogen 2.910 N/A ARG 192.A NH1 GLY 11.A O no hydrogen 3.152 N/A ARG 192.A NH2 THR 12.A O no hydrogen 2.972 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.693 N/A ALA 197.A N SER 194.A O no hydrogen 3.067 N/A LEU 198.A N SER 194.A O no hydrogen 3.229 N/A ALA 199.A N GLN 195.A O no hydrogen 2.946 N/A ARG 200.A N GLU 196.A O no hydrogen 3.287 N/A GLU 201.A N ALA 197.A O no hydrogen 2.858 N/A LEU 202.A N LEU 198.A O no hydrogen 2.909 N/A VAL 203.A N ARG 200.A O no hydrogen 3.124 N/A SER 204.A N GLU 201.A O no hydrogen 3.263 N/A SER 204.A OG GLU 201.A O no hydrogen 2.612 N/A THR 211.A N.B ALA 208.A O.B no hydrogen 2.798 N/A THR 211.A OG1.A GLU 201.A OE2 no hydrogen 2.412 N/A THR 211.A OG1.B GLU 201.A OE2 no hydrogen 2.506 N/A MET 212.A N.A PRO 209.A O.B no hydrogen 2.555 N/A MET 212.A N.B ALA 208.A O.A no hydrogen 3.227 N/A MET 212.A N.B PRO 209.A O.B no hydrogen 2.788 N/A PHE 213.A N.A PRO 209.A O.A no hydrogen 2.971 N/A PHE 213.A N.B PRO 209.A O.A no hydrogen 3.083 N/A LYS 214.A N LEU 210.A O.A no hydrogen 2.812 N/A LYS 214.A N LEU 210.A O.B no hydrogen 3.268 N/A ALA 215.A N THR 211.A O.A no hydrogen 2.797 N/A ALA 215.A N THR 211.A O.B no hydrogen 2.932 N/A LEU 216.A N MET 212.A O.A no hydrogen 3.052 N/A LEU 216.A N MET 212.A O.B no hydrogen 2.926 N/A LEU 216.A N PHE 213.A O.A no hydrogen 3.145 N/A LEU 216.A N PHE 213.A O.B no hydrogen 3.014 N/A ARG 217.A N LYS 214.A O no hydrogen 3.279 N/A ARG 217.A NH1 GLN 40.A OE1 no hydrogen 2.865 N/A MET 218.A N LYS 214.A O no hydrogen 3.036 N/A ARG 219.A NE MET 218.A O no hydrogen 2.785 N/A ALA 224.A N GLU 221.A O no hydrogen 2.999 N/A PHE 229.A N VAL 187.A O no hydrogen 3.025 N/A VAL 231.A N ARG 189.A O no hydrogen 2.955 N/A GLY 235.A N ASP 97.A OD2 no hydrogen 2.829 N/A ASP 236.A N ALA 233.A O no hydrogen 3.201 N/A LEU 237.A N LEU 234.A O no hydrogen 3.077 N/A ARG 239.A NH1 ARG 239.A O no hydrogen 2.976 N/A LEU 240.A N ASP 236.A O no hydrogen 2.911 N/A VAL 241.A N LEU 237.A O no hydrogen 2.817 N/A ARG 242.A N PRO 238.A O no hydrogen 3.193 N/A ARG 242.A NH2 GLU 104.A O no hydrogen 2.679 N/A GLY 243.A N ARG 239.A O no hydrogen 3.027 N/A ALA 245.A N VAL 241.A O no hydrogen 2.875 N/A