Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8yqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 71.A O no hydrogen 2.354 N/A GLU 7.A N GLY 4.A O no hydrogen 3.260 N/A PHE 9.A N MET 6.A O no hydrogen 3.026 N/A GLN 10.A N ARG 27.A O no hydrogen 2.781 N/A LYS 11.A NZ TYR 75.A OH no hydrogen 2.984 N/A VAL 12.A N LYS 25.A O no hydrogen 2.787 N/A GLU 13.A N LYS 25.A O no hydrogen 3.239 N/A LYS 14.A NZ GLU 17.A OE1 no hydrogen 2.627 N/A ILE 15.A N VAL 23.A O no hydrogen 2.684 N/A GLY 16.A N VAL 23.A O no hydrogen 3.239 N/A GLY 18.A N GLY 21.A O no hydrogen 2.824 N/A GLY 21.A N GLY 18.A O no hydrogen 2.961 N/A VAL 22.A N LYS 39.A O no hydrogen 3.091 N/A VAL 23.A N GLY 16.A O no hydrogen 2.847 N/A TYR 24.A N LEU 37.A O no hydrogen 2.760 N/A LYS 25.A N GLU 13.A O no hydrogen 2.784 N/A ALA 26.A N VAL 35.A O no hydrogen 2.981 N/A ARG 27.A N GLN 10.A O no hydrogen 2.882 N/A ASN 28.A N GLU 33.A O no hydrogen 2.765 N/A LYS 29.A N ASN 8.A O no hydrogen 2.761 N/A LYS 29.A NZ GLU 7.A O no hydrogen 2.749 N/A LEU 30.A N ASN 28.A OD1 no hydrogen 3.034 N/A THR 31.A N ASN 28.A OD1 no hydrogen 3.067 N/A THR 31.A OG1 GLU 33.A OE2 no hydrogen 2.328 N/A GLY 32.A N ASN 28.A O no hydrogen 2.703 N/A GLU 33.A N THR 31.A OG1 no hydrogen 3.342 N/A VAL 35.A N ALA 26.A O no hydrogen 2.933 N/A ALA 36.A N PHE 78.A O no hydrogen 2.821 N/A LEU 37.A N TYR 24.A O no hydrogen 2.789 N/A LYS 38.A N LEU 76.A O no hydrogen 2.827 N/A LYS 38.A NZ ASP 143.A OD1 no hydrogen 2.532 N/A LYS 39.A N VAL 22.A O no hydrogen 2.780 N/A LYS 39.A NZ TYR 24.A OH no hydrogen 3.161 N/A ILE 40.A N LEU 74.A O no hydrogen 2.788 N/A LEU 42.A N ASN 72.A O no hydrogen 2.796 N/A ILE 47.A N PRO 43.A O no hydrogen 2.894 N/A ARG 48.A N SER 44.A O no hydrogen 3.146 N/A GLU 49.A N THR 45.A O no hydrogen 2.877 N/A ILE 50.A N ALA 46.A O no hydrogen 2.771 N/A SER 51.A N ILE 47.A O no hydrogen 2.879 N/A SER 51.A OG ILE 47.A O no hydrogen 2.667 N/A LEU 52.A N ARG 48.A O no hydrogen 2.991 N/A LEU 53.A N GLU 49.A O no hydrogen 3.075 N/A LYS 54.A N ILE 50.A O no hydrogen 3.039 N/A LYS 54.A NZ LEU 65.A O no hydrogen 3.294 N/A GLU 55.A N LEU 52.A O no hydrogen 3.088 N/A LEU 56.A N LEU 53.A O no hydrogen 3.003 N/A ASN 60.A N HIS 58.A ND1 no hydrogen 2.980 N/A ASN 60.A ND2 GLN 108.A OE1 no hydrogen 2.988 N/A ASN 60.A ND2 ILE 139.A O no hydrogen 3.054 N/A ILE 61.A N HIS 58.A O no hydrogen 3.089 N/A VAL 62.A N LEU 141.A O no hydrogen 2.950 N/A LYS 63.A N GLU 79.A OE2 no hydrogen 2.796 N/A LEU 65.A N VAL 77.A O no hydrogen 2.623 N/A ASP 66.A N VAL 77.A O no hydrogen 3.346 N/A ILE 68.A N TYR 75.A O no hydrogen 2.826 N/A THR 70.A N LYS 73.A O no hydrogen 3.107 N/A THR 70.A OG1 PRO 2.A O no hydrogen 2.594 N/A GLU 71.A N PRO 2.A O no hydrogen 2.860 N/A ASN 72.A N ASN 72.A OD1 no hydrogen 2.637 N/A LYS 73.A N THR 70.A O no hydrogen 2.893 N/A LYS 73.A NZ ASN 72.A OD1 no hydrogen 2.910 N/A LEU 74.A N ILE 40.A O no hydrogen 2.799 N/A TYR 75.A N ILE 68.A O no hydrogen 2.775 N/A LEU 76.A N LYS 38.A O no hydrogen 2.849 N/A VAL 77.A N ASP 66.A O no hydrogen 2.851 N/A PHE 78.A N ALA 36.A O no hydrogen 2.804 N/A GLU 79.A N LYS 63.A O no hydrogen 2.980 N/A GLN 83.A NE2 ARG 287.A O no hydrogen 3.120 N/A LEU 85.A N LEU 131.A O no hydrogen 2.787 N/A LYS 86.A NZ ASP 90.A OD1 no hydrogen 2.623 N/A LYS 87.A N ASP 84.A OD1 no hydrogen 2.736 N/A PHE 88.A N ASP 84.A O no hydrogen 3.176 N/A MET 89.A N LEU 85.A O no hydrogen 2.751 N/A ASP 90.A N LYS 86.A O no hydrogen 2.981 N/A ALA 91.A N LYS 87.A O no hydrogen 2.833 N/A SER 92.A N PHE 88.A O no hydrogen 2.966 N/A SER 92.A N MET 89.A O no hydrogen 3.080 N/A SER 92.A OG PHE 88.A O no hydrogen 2.788 N/A ALA 93.A N ASP 90.A O no hydrogen 3.140 N/A THR 95.A N SER 92.A O no hydrogen 3.211 N/A THR 95.A OG1 SER 92.A O no hydrogen 3.476 N/A THR 95.A OG1 GLY 96.A O no hydrogen 3.353 N/A GLY 96.A N SER 92.A O no hydrogen 2.679 N/A LEU 101.A N PRO 98.A O no hydrogen 2.940 N/A ILE 102.A N PRO 98.A O no hydrogen 3.108 N/A LYS 103.A N LEU 99.A O no hydrogen 2.832 N/A LYS 103.A NZ PHE 275.A O no hydrogen 2.971 N/A LYS 103.A NZ ASP 278.A OD1 no hydrogen 2.589 N/A SER 104.A N PRO 100.A O no hydrogen 3.039 N/A SER 104.A OG THR 280.A O no hydrogen 3.324 N/A TYR 105.A N LEU 101.A O no hydrogen 2.894 N/A LEU 106.A N ILE 102.A O no hydrogen 2.831 N/A PHE 107.A N LYS 103.A O no hydrogen 2.846 N/A GLN 108.A N SER 104.A O no hydrogen 2.903 N/A GLN 108.A NE2 SER 104.A O no hydrogen 3.598 N/A GLN 108.A NE2 SER 104.A OG no hydrogen 3.047 N/A GLN 108.A NE2 GLY 137.A O no hydrogen 2.850 N/A LEU 109.A N TYR 105.A O no hydrogen 2.935 N/A LEU 110.A N LEU 106.A O no hydrogen 2.965 N/A GLN 111.A N PHE 107.A O no hydrogen 2.939 N/A GLY 112.A N GLN 108.A O no hydrogen 2.963 N/A LEU 113.A N LEU 109.A O no hydrogen 2.842 N/A ALA 114.A N LEU 110.A O no hydrogen 2.817 N/A PHE 115.A N GLN 111.A O no hydrogen 3.010 N/A CYS 116.A N GLY 112.A O no hydrogen 2.976 N/A CYS 116.A SG GLY 112.A O no hydrogen 3.394 N/A HIS 117.A N LEU 113.A O no hydrogen 2.699 N/A HIS 117.A NE2 ASP 175.A OD2 no hydrogen 2.827 N/A SER 118.A N ALA 114.A O no hydrogen 2.898 N/A SER 118.A OG ALA 114.A O no hydrogen 3.519 N/A SER 118.A OG PHE 115.A O no hydrogen 2.749 N/A HIS 119.A N CYS 116.A O no hydrogen 2.941 N/A HIS 119.A ND1 PHE 115.A O no hydrogen 3.109 N/A ARG 120.A N HIS 117.A O no hydrogen 2.838 N/A VAL 121.A N CYS 116.A O no hydrogen 2.930 N/A HIS 123.A N ASP 175.A OD2 no hydrogen 2.769 N/A HIS 123.A NE2 ALA 142.A O no hydrogen 2.798 N/A ARG 124.A N ASP 175.A OD1 no hydrogen 2.821 N/A ARG 124.A NH1 GLY 145.A O no hydrogen 2.855 N/A ASP 125.A N HIS 123.A ND1 no hydrogen 3.060 N/A LYS 127.A NZ ASP 125.A O no hydrogen 3.089 N/A LYS 127.A NZ ASN 130.A OD1 no hydrogen 2.780 N/A GLN 129.A N GLN 129.A OE1 no hydrogen 2.890 N/A ASN 130.A N LYS 127.A O no hydrogen 2.832 N/A ASN 130.A ND2 ALA 142.A O no hydrogen 2.999 N/A LEU 131.A N PRO 128.A O no hydrogen 3.139 N/A LEU 132.A N LYS 140.A O no hydrogen 3.015 N/A ILE 133.A N GLN 83.A O no hydrogen 2.846 N/A ASN 134.A N ALA 138.A O no hydrogen 3.260 N/A GLU 136.A N ASN 134.A OD1 no hydrogen 3.017 N/A GLY 137.A N ASN 134.A O no hydrogen 3.395 N/A ALA 138.A N ASN 134.A OD1 no hydrogen 2.947 N/A ILE 139.A N GLN 108.A OE1 no hydrogen 3.266 N/A LYS 140.A N LEU 132.A O no hydrogen 2.816 N/A LYS 140.A NZ GLU 79.A OE1 no hydrogen 3.271 N/A LYS 140.A NZ GLU 79.A OE2 no hydrogen 3.094 N/A LEU 141.A N ASN 60.A O no hydrogen 2.881 N/A ALA 142.A N ASN 130.A O no hydrogen 2.842 N/A GLY 145.A N HIS 123.A O no hydrogen 2.810 N/A ALA 147.A N GLU 49.A OE1 no hydrogen 2.838 N/A ARG 148.A N GLU 49.A OE2 no hydrogen 3.446 N/A VAL 152.A N ARG 41.A O no hydrogen 2.813 N/A THR 155.A OG1 THR 155.A O no hydrogen 2.519 N/A TRP 157.A NE1 GLY 195.A O no hydrogen 2.741 N/A TYR 158.A OH GLU 185.A OE1 no hydrogen 2.495 N/A TYR 158.A OH GLU 185.A OE2 no hydrogen 3.354 N/A ARG 159.A N LEU 156.A O no hydrogen 3.045 N/A ARG 159.A NE.B THR 155.A O no hydrogen 3.265 N/A ARG 159.A NH1.B ARG 124.A O no hydrogen 3.221 N/A ARG 159.A NH2.A THR 155.A O no hydrogen 3.449 N/A ARG 159.A NH2.B THR 155.A O no hydrogen 2.601 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.708 N/A LEU 164.A N ALA 160.A O no hydrogen 3.269 N/A LEU 165.A N PRO 161.A O no hydrogen 2.879 N/A GLY 166.A N ILE 163.A O no hydrogen 3.115 N/A CYS 167.A N GLU 162.A O no hydrogen 2.932 N/A ALA 173.A N SER 171.A OG no hydrogen 2.985 N/A VAL 174.A N SER 171.A O no hydrogen 3.058 N/A ASP 175.A N THR 172.A O no hydrogen 3.075 N/A TRP 177.A N ALA 173.A O no hydrogen 3.099 N/A SER 178.A N VAL 174.A O no hydrogen 3.153 N/A SER 178.A OG TYR 158.A O no hydrogen 2.681 N/A SER 178.A OG VAL 174.A O no hydrogen 3.081 N/A LEU 179.A N ASP 175.A O no hydrogen 2.951 N/A GLY 180.A N ILE 176.A O no hydrogen 2.876 N/A CYS 181.A N TRP 177.A O no hydrogen 3.007 N/A CYS 181.A SG TRP 177.A O no hydrogen 3.611 N/A ILE 182.A N SER 178.A O no hydrogen 3.018 N/A PHE 183.A N LEU 179.A O no hydrogen 2.751 N/A ALA 184.A N GLY 180.A O no hydrogen 3.000 N/A GLU 185.A N CYS 181.A O no hydrogen 3.088 N/A MET 186.A N ILE 182.A O no hydrogen 2.957 N/A VAL 187.A N PHE 183.A O no hydrogen 3.178 N/A THR 188.A N ALA 184.A O no hydrogen 2.929 N/A THR 188.A OG1 ALA 184.A O no hydrogen 2.919 N/A THR 188.A OG1 ARG 190.A O no hydrogen 3.094 N/A ARG 189.A N GLU 185.A O no hydrogen 2.841 N/A ARG 189.A NH1 ALA 93.A O no hydrogen 3.170 N/A ARG 190.A N THR 188.A OG1 no hydrogen 3.300 N/A GLY 195.A N PHE 193.A O no hydrogen 2.879 N/A ASP 196.A N ASP 200.A OD2 no hydrogen 3.074 N/A ASP 200.A N SER 197.A OG no hydrogen 3.047 N/A GLN 201.A N SER 197.A O no hydrogen 2.792 N/A GLN 201.A NE2 TRP 157.A O no hydrogen 3.126 N/A GLN 201.A NE2 PHE 193.A O no hydrogen 2.892 N/A LEU 202.A N GLU 198.A O no hydrogen 3.057 N/A PHE 203.A N ILE 199.A O no hydrogen 2.787 N/A ARG 204.A N ASP 200.A O no hydrogen 2.841 N/A ARG 204.A NE ASP 200.A OD2 no hydrogen 2.984 N/A ILE 205.A N GLN 201.A O no hydrogen 3.063 N/A PHE 206.A N LEU 202.A O no hydrogen 2.876 N/A ARG 207.A N PHE 203.A O no hydrogen 2.870 N/A THR 208.A N ARG 204.A O no hydrogen 3.327 N/A THR 208.A N ILE 205.A O no hydrogen 3.243 N/A THR 208.A OG1 ARG 204.A O no hydrogen 3.505 N/A LEU 209.A N ILE 205.A O no hydrogen 2.889 N/A THR 211.A N TRP 233.A O no hydrogen 2.912 N/A THR 211.A OG1 PRO 231.A O no hydrogen 2.700 N/A VAL 216.A N ASP 213.A OD1 no hydrogen 3.261 N/A TRP 217.A N ASP 213.A O no hydrogen 2.782 N/A GLY 219.A N GLU 214.A OE1 no hydrogen 2.818 N/A VAL 220.A N TRP 217.A O no hydrogen 2.962 N/A THR 221.A N GLU 214.A OE2 no hydrogen 2.982 N/A THR 221.A OG1 GLU 214.A OE2 no hydrogen 2.417 N/A SER 222.A N GLY 219.A O no hydrogen 3.038 N/A MET 223.A N VAL 220.A O no hydrogen 3.069 N/A ASP 225.A N LEU 165.A O no hydrogen 2.919 N/A TYR 226.A N MET 223.A O no hydrogen 3.042 N/A PHE 230.A N LYS 227.A O no hydrogen 2.975 N/A LYS 232.A NZ PRO 228.A O no hydrogen 3.281 N/A LYS 232.A NZ PHE 230.A O no hydrogen 3.100 N/A TRP 233.A N THR 211.A OG1 no hydrogen 2.841 N/A ARG 235.A NH1 LEU 209.A O no hydrogen 3.219 N/A GLN 236.A N THR 208.A O no hydrogen 2.980 N/A LYS 240.A N ASP 237.A O no hydrogen 2.828 N/A VAL 241.A N PHE 238.A O no hydrogen 2.995 N/A VAL 242.A N PHE 238.A O no hydrogen 3.200 N/A LEU 245.A N VAL 242.A O no hydrogen 2.960 N/A GLY 249.A N ASP 246.A OD1 no hydrogen 2.923 N/A ARG 250.A N ASP 246.A O no hydrogen 2.866 N/A SER 251.A N GLU 247.A O no hydrogen 2.897 N/A SER 251.A OG HIS 273.A NE2 no hydrogen 3.163 N/A LEU 252.A N ASP 248.A O no hydrogen 3.015 N/A LEU 253.A N GLY 249.A O no hydrogen 2.855 N/A SER 254.A N ARG 250.A O no hydrogen 2.882 N/A GLN 255.A N SER 251.A O no hydrogen 3.177 N/A MET 256.A N LEU 252.A O no hydrogen 2.986 N/A LEU 257.A N LEU 253.A O no hydrogen 2.973 N/A LEU 257.A N SER 254.A O no hydrogen 3.317 N/A TYR 259.A OH GLY 210.A O no hydrogen 2.680 N/A ASN 262.A N ASP 260.A OD1 no hydrogen 2.954 N/A LYS 263.A N ASP 260.A O no hydrogen 2.718 N/A LYS 263.A NZ VAL 216.A O no hydrogen 3.103 N/A LYS 263.A NZ ASP 260.A OD2 no hydrogen 3.101 N/A ARG 264.A N ASP 260.A O no hydrogen 2.915 N/A ARG 264.A NE HIS 258.A O no hydrogen 2.874 N/A ARG 264.A NH1 GLU 162.A OE1 no hydrogen 3.476 N/A ARG 264.A NH1 GLU 162.A OE2 no hydrogen 2.927 N/A ARG 264.A NH1 ALA 173.A O no hydrogen 2.892 N/A ARG 264.A NH2 GLU 162.A OE1 no hydrogen 2.972 N/A ARG 264.A NH2 HIS 258.A O no hydrogen 3.057 N/A ARG 264.A NH2 TYR 259.A O no hydrogen 2.962 N/A ILE 265.A N GLN 255.A O no hydrogen 3.002 N/A ALA 269.A N SER 266.A OG no hydrogen 2.951 N/A ALA 270.A N SER 266.A O no hydrogen 2.893 N/A LEU 271.A N ALA 267.A O no hydrogen 3.113 N/A ALA 272.A N ALA 269.A O no hydrogen 2.975 N/A HIS 273.A N ALA 270.A O no hydrogen 3.056 N/A HIS 273.A NE2 SER 251.A OG no hydrogen 3.163 N/A PHE 275.A N HIS 273.A ND1 no hydrogen 2.981 N/A PHE 276.A N HIS 273.A O no hydrogen 2.925 N/A GLN 277.A N PRO 274.A O no hydrogen 3.089 N/A VAL 279.A N PHE 276.A O no hydrogen 3.266 N/A