Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gqv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.767 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.915 N/A LEU 5.A N CYS 101.A O no hydrogen 3.089 N/A SER 6.A N TYR 27.A O no hydrogen 2.919 N/A TYR 7.A N TYR 99.A O no hydrogen 2.960 N/A SER 8.A N VAL 25.A O no hydrogen 2.907 N/A TYR 9.A N ARG 97.A O no hydrogen 2.697 N/A THR 10.A N PHE 23.A O no hydrogen 2.977 N/A ALA 11.A N ILE 95.A O no hydrogen 2.807 N/A VAL 12.A N ARG 21.A O no hydrogen 2.962 N/A SER 13.A N ARG 93.A O no hydrogen 2.865 N/A SER 13.A OG ARG 93.A O no hydrogen 3.505 N/A ARG 14.A N ASP 19.A O no hydrogen 2.903 N/A ARG 14.A NE ASP 19.A OD1 no hydrogen 2.831 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.617 N/A ARG 14.A NH2 ASP 19.A OD1 no hydrogen 3.293 N/A ARG 14.A NH2 ASP 19.A OD2 no hydrogen 3.037 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.751 N/A ARG 14.A NH2 ASP 39.A OD2 no hydrogen 3.121 N/A ARG 21.A N VAL 12.A O no hydrogen 2.861 N/A ARG 21.A NE ASP 37.A OD2 no hydrogen 2.989 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 2.809 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.566 N/A PHE 22.A N SER 38.A OG no hydrogen 3.000 N/A PHE 23.A N THR 10.A O no hydrogen 2.861 N/A ILE 24.A N PHE 36.A O no hydrogen 2.851 N/A VAL 25.A N SER 8.A O no hydrogen 3.103 N/A GLY 26.A N VAL 34.A O no hydrogen 3.123 N/A TYR 27.A N SER 6.A O no hydrogen 2.847 N/A VAL 28.A N THR 31.A O no hydrogen 2.922 N/A ASP 29.A N SER 4.A O no hydrogen 2.905 N/A THR 31.A N VAL 28.A O no hydrogen 2.967 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.724 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.500 N/A PHE 33.A N GLY 26.A O no hydrogen 2.946 N/A ARG 35.A N GLU 46.A O no hydrogen 3.156 N/A ARG 35.A NE GLU 46.A OE1 no hydrogen 2.879 N/A ARG 35.A NH2 GLU 46.A OE1 no hydrogen 2.933 N/A PHE 36.A N ILE 24.A O no hydrogen 2.916 N/A SER 38.A N PHE 22.A O no hydrogen 2.959 N/A ASP 39.A N ASP 37.A OD2 no hydrogen 3.070 N/A ALA 40.A N ASP 37.A O no hydrogen 2.916 N/A MET 45.A N THR 64.A OG1 no hydrogen 3.108 N/A GLU 46.A N ARG 35.A O no hydrogen 2.960 N/A ARG 48.A N PHE 33.A O no hydrogen 2.676 N/A ILE 52.A N ALA 49.A O no hydrogen 3.450 N/A GLN 53.A N GLN 50.A O no hydrogen 3.251 N/A GLN 54.A NE2 TRP 51.A O no hydrogen 2.951 N/A GLU 55.A N ILE 52.A O no hydrogen 3.119 N/A TYR 59.A N GLY 56.A O no hydrogen 2.862 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.550 N/A TRP 60.A N GLY 56.A O no hydrogen 3.350 N/A ASP 61.A N GLN 57.A O no hydrogen 2.712 N/A ARG 62.A N GLU 58.A O no hydrogen 3.183 N/A ARG 62.A NE GLU 63.A OE2 no hydrogen 3.153 N/A ARG 62.A NH2 GLU 63.A OE2 no hydrogen 3.388 N/A GLU 63.A N TYR 59.A O no hydrogen 3.077 N/A THR 64.A N TRP 60.A O no hydrogen 2.879 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.772 N/A GLN 65.A N ASP 61.A O no hydrogen 2.923 N/A GLN 65.A NE2 GLU 69.A OE2 no hydrogen 3.241 N/A ILE 66.A N ARG 62.A O no hydrogen 2.905 N/A SER 67.A N GLU 63.A O no hydrogen 2.859 N/A SER 67.A OG GLU 63.A O no hydrogen 2.857 N/A LYS 68.A N THR 64.A O no hydrogen 3.112 N/A GLU 69.A N GLN 65.A O no hydrogen 3.108 N/A THR 70.A N ILE 66.A O no hydrogen 2.974 N/A THR 70.A OG1 ILE 66.A O no hydrogen 2.781 N/A ALA 71.A N SER 67.A O no hydrogen 2.850 N/A GLN 72.A N LYS 68.A O no hydrogen 2.968 N/A ASN 73.A N GLU 69.A O no hydrogen 3.025 N/A ASN 73.A ND2 GLU 69.A O no hydrogen 3.223 N/A TYR 74.A N THR 70.A O no hydrogen 3.014 N/A ARG 75.A N ALA 71.A O no hydrogen 3.189 N/A ARG 75.A N GLN 72.A O no hydrogen 3.125 N/A VAL 76.A N ASN 73.A O no hydrogen 3.152 N/A ASP 77.A N ASN 73.A O no hydrogen 2.953 N/A LEU 78.A N TYR 74.A O no hydrogen 2.799 N/A THR 80.A N VAL 76.A O no hydrogen 2.713 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.909 N/A LEU 81.A N ASP 77.A O no hydrogen 2.957 N/A ARG 82.A N LEU 78.A O no hydrogen 3.190 N/A ARG 82.A NH2 GLU 89.A OE2 no hydrogen 2.991 N/A GLY 83.A N ASN 79.A O no hydrogen 3.176 N/A TYR 84.A N THR 80.A O no hydrogen 2.919 N/A TYR 85.A N LEU 81.A O no hydrogen 3.153 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.448 N/A ASN 86.A N GLY 83.A O no hydrogen 3.228 N/A GLN 87.A N ARG 82.A O no hydrogen 2.973 N/A ALA 90.A N SER 88.A OG no hydrogen 2.830 N/A SER 92.A OG SER 13.A O no hydrogen 2.659 N/A ARG 93.A N SER 13.A OG no hydrogen 2.788 N/A ARG 93.A NH1 ASP 119.A OD2 no hydrogen 3.423 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.924 N/A ILE 95.A N ALA 11.A O no hydrogen 2.842 N/A GLN 96.A N ALA 117.A O no hydrogen 2.863 N/A ARG 97.A N TYR 9.A O no hydrogen 2.997 N/A ARG 97.A NH1 TYR 74.A OH no hydrogen 3.057 N/A VAL 98.A N GLN 115.A O no hydrogen 2.937 N/A TYR 99.A N TYR 7.A O no hydrogen 3.257 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.643 N/A GLY 100.A N TYR 113.A O no hydrogen 3.047 N/A CYS 101.A N LEU 5.A O no hydrogen 2.970 N/A CYS 101.A SG LEU 5.A O no hydrogen 4.031 N/A TYR 102.A N ARG 111.A O no hydrogen 2.679 N/A LEU 103.A N HIS 3.A O no hydrogen 2.748 N/A GLY 104.A N LEU 108.A O no hydrogen 2.810 N/A GLY 107.A N GLY 104.A O no hydrogen 3.147 N/A LEU 108.A N ASP 106.A OD2 no hydrogen 3.315 N/A LEU 110.A N TYR 102.A O no hydrogen 2.792 N/A TYR 113.A N GLY 100.A O no hydrogen 2.967 N/A ARG 114.A NE ASP 116.A OD2 no hydrogen 2.875 N/A ARG 114.A NH1 GLU 156.A OE1 no hydrogen 2.733 N/A ARG 114.A NH2 ASP 116.A OD1 no hydrogen 2.815 N/A ARG 114.A NH2 ASP 116.A OD2 no hydrogen 3.492 N/A GLN 115.A N VAL 98.A O no hydrogen 2.864 N/A ASP 116.A N ILE 124.A O no hydrogen 2.763 N/A ALA 117.A N GLN 96.A O no hydrogen 2.800 N/A TYR 118.A N ALA 121.A O no hydrogen 2.763 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.902 N/A ASP 119.A N THR 94.A O no hydrogen 2.709 N/A ALA 121.A N TYR 118.A O no hydrogen 2.976 N/A TYR 123.A N ASP 116.A O no hydrogen 2.988 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.793 N/A ILE 124.A N ASP 116.A O no hydrogen 3.488 N/A ALA 125.A N THR 134.A O no hydrogen 2.943 N/A LEU 126.A N ARG 114.A O no hydrogen 2.811 N/A ASN 127.A N SER 132.A O no hydrogen 2.948 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.718 N/A LEU 130.A N ASN 127.A O no hydrogen 2.884 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.872 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.279 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.361 N/A THR 134.A N ALA 125.A O no hydrogen 2.882 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.504 N/A ALA 136.A N TYR 123.A O no hydrogen 2.914 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 2.915 N/A GLN 141.A N ASP 137.A O no hydrogen 3.090 N/A ILE 142.A N MET 138.A O no hydrogen 3.319 N/A THR 143.A N ALA 139.A O no hydrogen 3.397 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.793 N/A LYS 144.A N ALA 140.A O no hydrogen 2.676 N/A ARG 145.A N GLN 141.A O no hydrogen 2.810 N/A LYS 146.A N ILE 142.A O no hydrogen 3.125 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 2.942 N/A TRP 147.A N THR 143.A O no hydrogen 3.056 N/A GLU 148.A N LYS 144.A O no hydrogen 2.921 N/A VAL 149.A N ARG 145.A O no hydrogen 3.008 N/A VAL 150.A N LYS 146.A O no hydrogen 3.154 N/A ASN 151.A N GLU 148.A O no hydrogen 3.119 N/A GLU 152.A N TRP 147.A O no hydrogen 2.754 N/A GLU 156.A N GLU 152.A O no hydrogen 3.152 N/A ARG 157.A N ALA 153.A O no hydrogen 2.711 N/A ARG 157.A NE LEU 130.A O no hydrogen 3.173 N/A ARG 157.A NH2 LEU 130.A O no hydrogen 3.502 N/A SER 158.A N GLU 154.A O no hydrogen 2.911 N/A TYR 159.A N GLY 155.A O no hydrogen 3.089 N/A LEU 160.A N GLU 156.A O no hydrogen 2.879 N/A GLN 161.A N ARG 157.A O no hydrogen 2.944 N/A GLY 162.A N SER 158.A O no hydrogen 3.088 N/A GLY 162.A N TYR 159.A O no hydrogen 3.288 N/A CYS 164.A N TYR 159.A O no hydrogen 2.804 N/A GLU 166.A N GLY 162.A O no hydrogen 3.171 N/A TRP 167.A N ARG 163.A O no hydrogen 3.005 N/A LEU 168.A N CYS 164.A O no hydrogen 3.119 N/A GLN 169.A N VAL 165.A O no hydrogen 2.949 N/A GLN 169.A NE2 GLY 107.A O no hydrogen 3.286 N/A LYS 170.A N GLU 166.A O no hydrogen 3.159 N/A LYS 170.A NZ GLU 55.A OE1 no hydrogen 2.585 N/A TYR 171.A N TRP 167.A O no hydrogen 2.797 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.550 N/A LEU 172.A N LEU 168.A O no hydrogen 2.807 N/A VAL 173.A N GLN 169.A O no hydrogen 3.152 N/A VAL 173.A N LYS 170.A O no hydrogen 3.220 N/A MET 174.A N LYS 170.A O no hydrogen 2.905 N/A GLY 175.A N TYR 171.A O no hydrogen 3.035 N/A LYS 176.A N VAL 173.A O no hydrogen 3.249 N/A THR 178.A N GLY 175.A O no hydrogen 3.229 N/A LEU 179.A N GLY 175.A O no hydrogen 2.792 N/A GLN 180.A N LYS 176.A O no hydrogen 3.012 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 3.054 N/A GLU 183.A N TYR 209.A O no hydrogen 2.576 N/A LYS 186.A N LEU 206.A O no hydrogen 2.836 N/A HIS 188.A N TRP 204.A O no hydrogen 3.350 N/A THR 190.A N ARG 202.A O no hydrogen 2.945 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.445 N/A ARG 191.A NE GLU 254.A OE2 no hydrogen 3.121 N/A ARG 191.A NH2 GLU 254.A OE2 no hydrogen 3.477 N/A HIS 192.A N THR 200.A O no hydrogen 2.776 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.445 N/A SER 194.A OG PRO 193.A O no hydrogen 2.661 N/A VAL 199.A N VAL 249.A O no hydrogen 2.793 N/A THR 200.A N HIS 192.A O no hydrogen 2.866 N/A LEU 201.A N LEU 247.A O no hydrogen 2.858 N/A ARG 202.A N THR 190.A O no hydrogen 2.995 N/A CYS 203.A N ALA 245.A O no hydrogen 2.716 N/A TRP 204.A N HIS 188.A O no hydrogen 2.730 N/A ALA 205.A N LYS 243.A O no hydrogen 2.968 N/A LEU 206.A N LYS 186.A O no hydrogen 2.995 N/A PHE 208.A N PHE 241.A O no hydrogen 3.090 N/A TYR 209.A N GLU 183.A O no hydrogen 2.988 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.724 N/A LYS 211.A N ASP 30.A OD1 no hydrogen 3.244 N/A SER 214.A N GLN 262.A O no hydrogen 2.887 N/A SER 216.A N HIS 260.A O no hydrogen 3.123 N/A SER 216.A OG HIS 260.A O no hydrogen 3.459 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.603 N/A GLN 218.A N THR 258.A O no hydrogen 2.701 N/A ARG 219.A N GLN 222.A O no hydrogen 2.705 N/A GLU 220.A N SER 256.A O no hydrogen 3.225 N/A GLN 222.A N ARG 219.A O no hydrogen 3.086 N/A GLN 224.A N TRP 217.A O no hydrogen 3.117 N/A GLN 224.A NE2 GLN 222.A O no hydrogen 3.669 N/A GLN 224.A NE2 ASP 223.A O no hydrogen 3.139 N/A SER 225.A N ASP 223.A OD1 no hydrogen 2.857 N/A SER 225.A OG ASP 223.A OD1 no hydrogen 2.420 N/A SER 225.A OG ASP 223.A OD2 no hydrogen 2.991 N/A ASP 227.A N GLN 224.A O no hydrogen 3.174 N/A VAL 231.A N TRP 244.A O no hydrogen 3.167 N/A ARG 234.A N GLN 242.A O no hydrogen 2.934 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.802 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 2.811 N/A SER 236.A N THR 240.A O no hydrogen 2.708 N/A SER 236.A OG THR 240.A OG1 no hydrogen 2.789 N/A THR 240.A OG1 SER 236.A OG no hydrogen 2.789 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.954 N/A PHE 241.A N PHE 208.A O no hydrogen 2.813 N/A GLN 242.A N ARG 234.A O no hydrogen 2.624 N/A LYS 243.A N ALA 205.A O no hydrogen 3.053 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.325 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.215 N/A ALA 245.A N CYS 203.A O no hydrogen 2.990 N/A ALA 246.A N GLU 229.A O no hydrogen 2.782 N/A LEU 247.A N LEU 201.A O no hydrogen 3.106 N/A VAL 249.A N VAL 199.A O no hydrogen 2.987 N/A GLY 252.A N PRO 250.A O no hydrogen 2.583 N/A GLU 253.A N PRO 250.A O no hydrogen 2.903 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.853 N/A SER 256.A N GLU 253.A O no hydrogen 2.440 N/A SER 256.A OG GLU 220.A OE2 no hydrogen 3.220 N/A THR 258.A N GLN 218.A O no hydrogen 2.752 N/A THR 258.A OG1 GLN 218.A O no hydrogen 3.158 N/A CYS 259.A N LEU 272.A O no hydrogen 3.353 N/A HIS 260.A N SER 216.A O no hydrogen 2.485 N/A VAL 261.A N LEU 270.A O no hydrogen 3.417 N/A GLN 262.A N SER 214.A O no hydrogen 2.930 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.959 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.059 N/A LEU 266.A N HIS 263.A O no hydrogen 3.032 N/A LEU 270.A N VAL 261.A O no hydrogen 2.957 N/A THR 271.A OG1 HIS 260.A NE2 no hydrogen 2.787 N/A LEU 272.A N CYS 259.A O no hydrogen 3.163 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 3.426 N/A