Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8qfy_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 102.A OE1 no hydrogen 3.569 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.770 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.108 N/A LEU 5.A N CYS 101.A O no hydrogen 3.018 N/A LYS 6.A N TYR 27.A O no hydrogen 2.851 N/A LYS 6.A NZ SER 4.A OG no hydrogen 2.637 N/A TYR 7.A N HIS 99.A O no hydrogen 3.091 N/A PHE 8.A N VAL 25.A O no hydrogen 2.995 N/A HIS 9.A N TRP 97.A O no hydrogen 2.865 N/A HIS 9.A NE2 HIS 99.A NE2 no hydrogen 3.020 N/A THR 10.A N ILE 23.A O no hydrogen 2.778 N/A SER 11.A N LEU 95.A O no hydrogen 2.737 N/A SER 11.A OG ARG 21.A O no hydrogen 3.353 N/A VAL 12.A N ARG 21.A O no hydrogen 2.862 N/A SER 13.A N HIS 93.A O no hydrogen 3.009 N/A SER 13.A OG HIS 93.A O no hydrogen 3.186 N/A ARG 14.A NE GLU 19.A O no hydrogen 3.102 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.294 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 3.262 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.169 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.021 N/A ARG 17.A N ARG 14.A O no hydrogen 2.971 N/A ARG 21.A N VAL 12.A O no hydrogen 2.820 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.057 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.562 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.838 N/A PHE 22.A N ASN 38.A OD1 no hydrogen 2.959 N/A ILE 23.A N THR 10.A O no hydrogen 2.961 N/A SER 24.A N PHE 36.A O no hydrogen 2.993 N/A SER 24.A OG HIS 9.A ND1 no hydrogen 2.689 N/A VAL 25.A N PHE 8.A O no hydrogen 3.199 N/A GLY 26.A N VAL 34.A O no hydrogen 3.052 N/A TYR 27.A N LYS 6.A O no hydrogen 2.834 N/A ASP 29.A N SER 4.A O no hydrogen 3.253 N/A THR 31.A N VAL 28.A O no hydrogen 2.942 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.812 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.280 N/A PHE 33.A N GLY 26.A O no hydrogen 2.887 N/A ARG 35.A N VAL 46.A O no hydrogen 3.096 N/A PHE 36.A N SER 24.A O no hydrogen 2.822 N/A ASN 38.A N PHE 22.A O no hydrogen 3.104 N/A ASN 38.A ND2 PRO 20.A O no hydrogen 3.071 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.979 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 2.997 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.986 N/A VAL 46.A N ARG 35.A O no hydrogen 2.840 N/A ARG 48.A N PHE 33.A O no hydrogen 3.018 N/A MET 52.A N ALA 49.A O no hydrogen 3.103 N/A GLU 53.A N PRO 50.A O no hydrogen 3.234 N/A GLU 55.A N MET 52.A O no hydrogen 3.313 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.457 N/A ASP 61.A N SER 57.A O no hydrogen 2.657 N/A ARG 62.A N GLU 58.A O no hydrogen 3.240 N/A GLU 63.A N TYR 59.A O no hydrogen 3.014 N/A THR 64.A N TRP 60.A O no hydrogen 2.921 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.518 N/A ARG 65.A N ASP 61.A O no hydrogen 2.918 N/A SER 66.A N ARG 62.A O no hydrogen 2.840 N/A SER 66.A OG ARG 62.A O no hydrogen 3.355 N/A ALA 67.A N GLU 63.A O no hydrogen 2.956 N/A ARG 68.A N THR 64.A O no hydrogen 2.908 N/A ASP 69.A N ARG 65.A O no hydrogen 2.961 N/A THR 70.A N SER 66.A O no hydrogen 2.806 N/A THR 70.A OG1 SER 66.A O no hydrogen 2.831 N/A ALA 71.A N ALA 67.A O no hydrogen 2.762 N/A GLN 72.A N ARG 68.A O no hydrogen 2.941 N/A ILE 73.A N ASP 69.A O no hydrogen 2.883 N/A PHE 74.A N THR 70.A O no hydrogen 2.796 N/A ARG 75.A N ALA 71.A O no hydrogen 3.047 N/A ARG 75.A NH1 GLN 72.A OE1 no hydrogen 3.546 N/A VAL 76.A N GLN 72.A O no hydrogen 3.204 N/A ASN 77.A N ILE 73.A O no hydrogen 2.875 N/A LEU 78.A N PHE 74.A O no hydrogen 2.975 N/A ARG 79.A N ARG 75.A O no hydrogen 3.235 N/A THR 80.A N VAL 76.A O no hydrogen 2.794 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.301 N/A LEU 81.A N ASN 77.A O no hydrogen 2.803 N/A ARG 82.A N LEU 78.A O no hydrogen 2.954 N/A GLY 83.A N ARG 79.A O no hydrogen 3.403 N/A TYR 84.A N THR 80.A O no hydrogen 3.173 N/A TYR 85.A N LEU 81.A O no hydrogen 3.330 N/A TYR 85.A N ARG 82.A O no hydrogen 3.189 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.919 N/A ASN 86.A N GLY 83.A O no hydrogen 3.194 N/A GLN 87.A N ARG 82.A O no hydrogen 3.305 N/A ALA 90.A N SER 88.A OG.A no hydrogen 3.303 N/A ALA 90.A N SER 88.A OG.B no hydrogen 3.311 N/A SER 92.A OG SER 13.A O no hydrogen 2.757 N/A HIS 93.A N SER 13.A OG no hydrogen 2.761 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.934 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.803 N/A LEU 95.A N SER 11.A O no hydrogen 2.845 N/A GLN 96.A N ALA 117.A O no hydrogen 3.021 N/A TRP 97.A N HIS 9.A O no hydrogen 2.942 N/A TRP 97.A NE1 GLU 114.A OE1 no hydrogen 3.196 N/A MET 98.A N GLN 115.A O no hydrogen 3.136 N/A HIS 99.A N TYR 7.A O no hydrogen 3.398 N/A HIS 99.A NE2 HIS 9.A NE2 no hydrogen 3.020 N/A GLY 100.A N TYR 113.A O no hydrogen 3.247 N/A CYS 101.A N LEU 5.A O no hydrogen 3.180 N/A GLU 102.A N ARG 111.A O no hydrogen 2.915 N/A LEU 103.A N HIS 3.A O no hydrogen 2.868 N/A GLY 104.A N ARG 108.A O no hydrogen 3.128 N/A ASP 106.A N ASP 106.A OD1 no hydrogen 2.723 N/A GLY 107.A N GLY 104.A O no hydrogen 2.839 N/A LEU 110.A N GLU 102.A O no hydrogen 2.962 N/A TYR 113.A N GLY 100.A O no hydrogen 3.239 N/A TYR 113.A OH GLU 102.A OE2 no hydrogen 3.293 N/A GLN 115.A N MET 98.A O no hydrogen 3.018 N/A PHE 116.A N LEU 124.A O no hydrogen 2.783 N/A ALA 117.A N GLN 96.A O no hydrogen 3.082 N/A TYR 118.A N LYS 121.A O no hydrogen 2.994 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.788 N/A ASP 119.A N THR 94.A O no hydrogen 2.854 N/A LYS 121.A N TYR 118.A O no hydrogen 3.316 N/A TYR 123.A N PHE 116.A O no hydrogen 2.827 N/A TYR 123.A OH SER 143.A OG no hydrogen 2.591 N/A LEU 124.A N PHE 116.A O no hydrogen 3.245 N/A THR 125.A N THR 134.A O no hydrogen 3.183 N/A LEU 126.A N GLU 114.A O no hydrogen 3.018 N/A ASN 127.A N SER 132.A O no hydrogen 3.063 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.558 N/A LEU 130.A N ASN 127.A O no hydrogen 2.964 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.937 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.283 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.491 N/A THR 134.A N THR 125.A O no hydrogen 2.891 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.475 N/A VAL 136.A N TYR 123.A O no hydrogen 3.342 N/A GLN 141.A N THR 138.A O no hydrogen 2.930 N/A SER 143.A OG TYR 123.A OH no hydrogen 2.591 N/A GLU 144.A N ALA 140.A O no hydrogen 2.852 N/A GLN 145.A N GLN 141.A O no hydrogen 2.959 N/A GLN 145.A NE2 ASP 149.A OD2 no hydrogen 2.775 N/A LYS 146.A N ILE 142.A O no hydrogen 2.884 N/A SER 147.A N SER 143.A O no hydrogen 2.697 N/A SER 147.A OG SER 143.A O no hydrogen 2.955 N/A ASN 148.A N GLU 144.A O no hydrogen 2.711 N/A ASP 149.A N GLN 145.A O no hydrogen 2.757 N/A ALA 150.A N LYS 146.A O no hydrogen 3.002 N/A ALA 150.A N SER 147.A O no hydrogen 3.185 N/A SER 151.A N ASN 148.A O no hydrogen 3.006 N/A GLU 152.A N SER 147.A O no hydrogen 3.155 N/A GLU 154.A N SER 151.A O no hydrogen 2.932 N/A GLN 156.A N GLU 152.A O no hydrogen 3.152 N/A GLN 156.A NE2 GLU 114.A OE2 no hydrogen 2.535 N/A ARG 157.A N ALA 153.A O no hydrogen 2.804 N/A ARG 157.A NH1 LEU 130.A O no hydrogen 3.072 N/A ARG 157.A NH2 GLU 154.A OE2 no hydrogen 2.396 N/A ALA 158.A N GLU 154.A O no hydrogen 3.241 N/A TYR 159.A N HIS 155.A O no hydrogen 3.039 N/A LEU 160.A N GLN 156.A O no hydrogen 2.850 N/A GLU 161.A N ARG 157.A O no hydrogen 2.822 N/A ASP 162.A N ALA 158.A O no hydrogen 2.874 N/A THR 163.A N ALA 158.A O no hydrogen 3.353 N/A CYS 164.A N TYR 159.A O no hydrogen 2.685 N/A CYS 164.A SG LEU 5.A O no hydrogen 3.606 N/A CYS 164.A SG TYR 159.A OH no hydrogen 3.883 N/A GLU 166.A N ASP 162.A O no hydrogen 2.773 N/A TRP 167.A N THR 163.A O no hydrogen 2.895 N/A LEU 168.A N CYS 164.A O no hydrogen 3.036 N/A HIS 169.A N VAL 165.A O no hydrogen 3.073 N/A LYS 170.A N GLU 166.A O no hydrogen 3.323 N/A TYR 171.A N TRP 167.A O no hydrogen 2.956 N/A TYR 171.A N LEU 168.A O no hydrogen 3.111 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.457 N/A LEU 172.A N LEU 168.A O no hydrogen 2.978 N/A GLU 173.A N HIS 169.A O no hydrogen 3.335 N/A LYS 174.A N LYS 170.A O no hydrogen 3.096 N/A LYS 174.A NZ GLU 55.A OE2 no hydrogen 2.574 N/A GLY 175.A N TYR 171.A O no hydrogen 3.074 N/A LYS 176.A N GLU 173.A O no hydrogen 3.282 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 3.003 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.429 N/A LEU 179.A N GLY 175.A O no hydrogen 2.973 N/A LEU 180.A N LYS 176.A O no hydrogen 3.077 N/A GLU 183.A N TYR 209.A O no hydrogen 3.279 N/A LYS 186.A N LEU 206.A O no hydrogen 3.060 N/A THR 190.A N ARG 202.A O no hydrogen 3.337 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.767 N/A HIS 192.A N THR 200.A O no hydrogen 2.973 N/A ILE 194.A N GLU 198.A O no hydrogen 3.278 N/A SER 195.A N GLU 198.A O no hydrogen 3.077 N/A SER 195.A OG ILE 194.A O no hydrogen 2.838 N/A THR 200.A N HIS 192.A O no hydrogen 2.754 N/A ARG 202.A N THR 190.A O no hydrogen 3.414 N/A CYS 203.A N ALA 234.A O no hydrogen 2.881 N/A TRP 204.A N HIS 188.A O no hydrogen 3.029 N/A ALA 205.A N LYS 232.A O no hydrogen 2.889 N/A LEU 206.A N LYS 186.A O no hydrogen 3.261 N/A GLY 207.A N PHE 230.A O no hydrogen 2.991 N/A PHE 208.A N PHE 230.A O no hydrogen 3.481 N/A TYR 209.A N GLU 183.A O no hydrogen 2.948 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.812 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 3.129 N/A THR 214.A N GLN 241.A O no hydrogen 2.987 N/A THR 216.A N HIS 239.A O no hydrogen 3.012 N/A THR 216.A OG1 HIS 239.A O no hydrogen 3.434 N/A VAL 220.A N TRP 233.A O no hydrogen 3.195 N/A ARG 223.A N GLN 231.A O no hydrogen 3.075 N/A ARG 223.A NE GLN 231.A OE1 no hydrogen 2.746 N/A ARG 223.A NH2 GLN 231.A OE1 no hydrogen 2.966 N/A ALA 225.A N THR 229.A O no hydrogen 3.059 N/A THR 229.A N ASP 227.A OD1 no hydrogen 3.323 N/A THR 229.A OG1 ASP 227.A OD1 no hydrogen 2.913 N/A PHE 230.A N PHE 208.A O no hydrogen 2.952 N/A GLN 231.A N ARG 223.A O no hydrogen 2.933 N/A LYS 232.A N ALA 205.A O no hydrogen 3.042 N/A LYS 232.A NZ VAL 220.A O no hydrogen 3.159 N/A LYS 232.A NZ THR 222.A OG1 no hydrogen 3.319 N/A ALA 234.A N CYS 203.A O no hydrogen 3.305 N/A ALA 235.A N GLU 218.A O no hydrogen 3.056 N/A VAL 240.A N VAL 249.A O no hydrogen 3.078 N/A GLN 241.A N THR 214.A O no hydrogen 2.870 N/A HIS 242.A NE2 PRO 210.A O no hydrogen 2.889 N/A GLY 244.A N HIS 242.A ND1 no hydrogen 3.026 N/A LEU 245.A N HIS 242.A O no hydrogen 3.193 N/A