Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qk8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 48.A OD2 no hydrogen 2.715 N/A ASP 4.A N THR 1.A O no hydrogen 3.245 N/A PHE 5.A N TYR 2.A O no hydrogen 3.090 N/A SER 7.A N ASP 37.A OD2 no hydrogen 3.016 N/A SER 7.A OG ASP 37.A OD2 no hydrogen 2.581 N/A LEU 8.A N PHE 5.A O no hydrogen 3.171 N/A ARG 9.A N VAL 21.A O no hydrogen 3.222 N/A ARG 9.A NE GLU 11.A OE2 no hydrogen 2.866 N/A ARG 9.A NH1 ASP 23.A OD2 no hydrogen 2.732 N/A ARG 9.A NH1 GLU 59.A OE1 no hydrogen 2.833 N/A ARG 9.A NH2 GLU 11.A OE1 no hydrogen 3.235 N/A ARG 9.A NH2 GLU 11.A OE2 no hydrogen 2.979 N/A GLU 11.A N ASN 19.A O no hydrogen 2.888 N/A GLY 13.A N VAL 17.A O no hydrogen 2.705 N/A VAL 17.A N GLU 14.A O no hydrogen 3.042 N/A LEU 18.A N VAL 53.A O no hydrogen 2.861 N/A ASN 19.A N GLU 11.A O no hydrogen 2.918 N/A ASN 19.A ND2 GLU 11.A O no hydrogen 3.105 N/A LEU 20.A N LEU 55.A O no hydrogen 2.801 N/A VAL 21.A N ARG 9.A O no hydrogen 2.918 N/A LEU 22.A N ARG 57.A O no hydrogen 2.902 N/A SER 24.A N ASN 28.A OD1 no hydrogen 3.052 N/A SER 24.A OG SER 29.A O no hydrogen 2.621 N/A ASN 28.A N SER 24.A O no hydrogen 2.989 N/A ASN 28.A ND2 GLU 59.A O no hydrogen 2.942 N/A ASN 28.A ND2 ALA 62.A O no hydrogen 2.989 N/A ASN 28.A ND2 PHE 63.A O no hydrogen 3.452 N/A SER 29.A N PRO 25.A O no hydrogen 3.045 N/A SER 29.A OG.A PRO 25.A O no hydrogen 2.709 N/A SER 29.A OG.B PRO 25.A O no hydrogen 3.403 N/A SER 29.A OG.B GLY 26.A O no hydrogen 3.175 N/A SER 29.A OG.B SER 65.A OG no hydrogen 2.823 N/A VAL 30.A N GLY 66.A O no hydrogen 2.777 N/A GLN 33.A NE2 ASP 37.A OD1 no hydrogen 2.892 N/A HIS 35.A N GLY 31.A O no hydrogen 2.870 N/A HIS 35.A ND1 GLU 88.A OE1 no hydrogen 2.694 N/A ARG 36.A N PRO 32.A O no hydrogen 3.170 N/A ARG 36.A NE ASP 40.A OD2 no hydrogen 2.913 N/A ARG 36.A NH1 ASP 4.A O no hydrogen 2.892 N/A ARG 36.A NH1 ASP 4.A OD2.A no hydrogen 3.527 N/A ARG 36.A NH1 ASP 37.A OD1 no hydrogen 2.869 N/A ARG 36.A NH2 ASP 4.A OD2.A no hydrogen 2.883 N/A ASP 37.A N GLN 33.A O no hydrogen 2.845 N/A LEU 38.A N MET 34.A O no hydrogen 2.866 N/A ALA 39.A N HIS 35.A O no hydrogen 3.228 N/A ASP 40.A N ARG 36.A O no hydrogen 3.107 N/A VAL 41.A N ASP 37.A O no hydrogen 2.961 N/A ILE 45.A N VAL 41.A O no hydrogen 3.179 N/A ASP 46.A N TRP 42.A O no hydrogen 3.006 N/A ARG 47.A N PRO 43.A O no hydrogen 3.278 N/A ARG 47.A N VAL 44.A O no hydrogen 3.166 N/A ASP 48.A N ILE 45.A O no hydrogen 3.126 N/A ASP 50.A N ASP 48.A OD1 no hydrogen 2.894 N/A VAL 51.A N ASP 48.A O no hydrogen 3.066 N/A ARG 52.A N GLY 16.A O no hydrogen 2.740 N/A ARG 52.A NH1.A ALA 203.A O no hydrogen 3.133 N/A ARG 52.A NH1.B ALA 203.A O no hydrogen 2.957 N/A VAL 53.A N GLY 16.A O no hydrogen 3.356 N/A VAL 54.A N PRO 102.A O no hydrogen 2.963 N/A LEU 55.A N LEU 18.A O no hydrogen 2.847 N/A VAL 56.A N VAL 104.A O no hydrogen 2.855 N/A ARG 57.A N LEU 20.A O no hydrogen 3.005 N/A ARG 57.A NH1.B GLY 58.A O no hydrogen 3.163 N/A GLU 59.A N LEU 22.A O no hydrogen 2.853 N/A PHE 63.A N PRO 110.A O no hydrogen 3.029 N/A SER 64.A N PRO 110.A O no hydrogen 3.065 N/A SER 64.A OG ASN 28.A O no hydrogen 2.653 N/A SER 65.A N LEU 27.A O no hydrogen 2.895 N/A SER 65.A OG GLY 26.A O no hydrogen 2.648 N/A SER 65.A OG LEU 27.A O no hydrogen 3.382 N/A SER 65.A OG SER 29.A OG.B no hydrogen 2.823 N/A GLY 66.A N SER 64.A OG no hydrogen 2.943 N/A SER 68.A N VAL 30.A O no hydrogen 2.851 N/A LEU 71.A N SER 68.A OG no hydrogen 3.208 N/A ILE 72.A N SER 68.A O no hydrogen 3.038 N/A ASP 73.A N PHE 69.A O no hydrogen 2.838 N/A GLU 74.A N GLU 70.A O no hydrogen 2.916 N/A THR 75.A N LEU 71.A O no hydrogen 3.247 N/A THR 75.A OG1 LEU 71.A O no hydrogen 2.827 N/A ILE 76.A N ILE 72.A O no hydrogen 3.037 N/A GLY 77.A N ASP 73.A O no hydrogen 2.906 N/A ASP 78.A N GLU 74.A O no hydrogen 3.003 N/A GLY 81.A N ASP 78.A OD2 no hydrogen 2.830 N/A ARG 82.A N ASP 78.A O no hydrogen 2.879 N/A ARG 82.A NE THR 75.A O no hydrogen 2.802 N/A ARG 82.A NH2 THR 75.A O no hydrogen 3.308 N/A ARG 82.A NH2 ILE 76.A O no hydrogen 2.946 N/A ILE 83.A N TYR 79.A O no hydrogen 3.080 N/A ARG 84.A N GLU 80.A O no hydrogen 2.965 N/A ARG 84.A NE GLU 88.A OE2 no hydrogen 2.977 N/A ARG 84.A NH1 GLU 74.A OE2 no hydrogen 2.843 N/A ARG 84.A NH2 GLU 74.A OE1 no hydrogen 3.056 N/A ARG 84.A NH2 GLU 74.A OE2 no hydrogen 3.445 N/A ILE 85.A N GLY 81.A O no hydrogen 2.839 N/A MET 86.A N ARG 82.A O no hydrogen 2.863 N/A ARG 87.A N ILE 83.A O no hydrogen 2.954 N/A ARG 87.A NH1 ASP 40.A OD1 no hydrogen 2.828 N/A ARG 87.A NH1 ASP 91.A OD2 no hydrogen 2.790 N/A ARG 87.A NH2 ASP 40.A OD1 no hydrogen 3.531 N/A ARG 87.A NH2 ASP 40.A OD2 no hydrogen 3.075 N/A GLU 88.A N ARG 84.A O no hydrogen 3.014 N/A ALA 89.A N ILE 85.A O no hydrogen 2.831 N/A ARG 90.A N MET 86.A O no hydrogen 2.911 N/A ARG 90.A NE ASP 91.A OD1 no hydrogen 2.902 N/A ARG 90.A NH2 ASP 91.A OD1 no hydrogen 2.954 N/A ARG 90.A NH2 ASP 91.A OD2 no hydrogen 3.255 N/A ASP 91.A N ARG 87.A O no hydrogen 2.936 N/A LEU 92.A N GLU 88.A O no hydrogen 2.843 N/A LEU 94.A N ARG 90.A O no hydrogen 3.009 N/A ASN 95.A N ASP 91.A O no hydrogen 2.741 N/A ASN 95.A ND2 ALA 39.A O no hydrogen 2.907 N/A LEU 96.A N LEU 92.A O no hydrogen 3.133 N/A VAL 97.A N VAL 93.A O no hydrogen 2.896 N/A ASN 98.A N LEU 94.A O no hydrogen 2.925 N/A ASN 98.A ND2 LEU 94.A O no hydrogen 2.911 N/A LEU 99.A N LEU 96.A O no hydrogen 3.091 N/A ASP 100.A N ASP 46.A OD2 no hydrogen 2.904 N/A LYS 101.A N ASP 46.A OD1 no hydrogen 3.065 N/A LYS 101.A NZ ILE 45.A O no hydrogen 2.935 N/A LYS 101.A NZ ASP 46.A O no hydrogen 3.143 N/A LYS 101.A NZ VAL 51.A O no hydrogen 2.841 N/A VAL 103.A N ASP 123.A OD2 no hydrogen 2.859 N/A VAL 104.A N VAL 54.A O no hydrogen 2.809 N/A SER 105.A N ILE 124.A O no hydrogen 2.867 N/A SER 105.A OG ALA 119.A O no hydrogen 2.793 N/A ALA 106.A N VAL 56.A O no hydrogen 2.940 N/A ILE 107.A N VAL 126.A O no hydrogen 2.803 N/A ARG 108.A NE ASP 188.A OD1 no hydrogen 2.926 N/A ARG 108.A NH2 ASP 188.A OD2 no hydrogen 2.867 N/A ALA 111.A N LYS 132.A O no hydrogen 2.909 N/A VAL 112.A N SER 64.A O no hydrogen 3.004 N/A GLY 113.A N ILE 134.A O no hydrogen 3.317 N/A GLY 115.A N VAL 112.A O no hydrogen 3.051 N/A LEU 116.A N VAL 112.A O no hydrogen 3.271 N/A VAL 117.A N GLY 113.A O no hydrogen 3.339 N/A ALA 119.A N GLY 115.A O no hydrogen 3.296 N/A LEU 120.A N LEU 116.A O no hydrogen 2.934 N/A LEU 121.A N VAL 117.A O no hydrogen 2.954 N/A ALA 122.A N VAL 118.A O no hydrogen 3.083 N/A ILE 124.A N VAL 103.A O no hydrogen 3.142 N/A SER 125.A N SER 183.A OG no hydrogen 3.069 N/A VAL 126.A N SER 105.A O no hydrogen 2.926 N/A ALA 127.A N THR 184.A O no hydrogen 2.974 N/A SER 128.A N ILE 107.A O no hydrogen 2.846 N/A SER 128.A OG THR 130.A OG1 no hydrogen 2.997 N/A ALA 129.A N VAL 186.A O no hydrogen 2.882 N/A THR 130.A N SER 128.A OG no hydrogen 3.043 N/A THR 130.A OG1 SER 128.A OG no hydrogen 2.997 N/A ALA 131.A N SER 128.A O no hydrogen 2.939 N/A LYS 132.A N GLY 109.A O no hydrogen 2.865 N/A ILE 133.A N LEU 171.A O no hydrogen 2.869 N/A ILE 134.A N ALA 111.A O no hydrogen 3.067 N/A HIS 137.A N ASP 135.A OD1 no hydrogen 3.203 N/A HIS 137.A ND1 ASP 135.A OD1 no hydrogen 2.654 N/A THR 138.A OG1 LEU 165.A O no hydrogen 3.339 N/A THR 138.A OG1 LEU 166.A O no hydrogen 2.901 N/A LEU 140.A N GLY 136.A O no hydrogen 3.043 N/A GLY 141.A N HIS 137.A O no hydrogen 2.951 N/A GLY 141.A N THR 138.A O no hydrogen 3.171 N/A VAL 142.A N HIS 137.A O no hydrogen 3.096 N/A HIS 147.A ND1 ASP 146.A OD1 no hydrogen 2.899 N/A ILE 150.A N HIS 147.A O no hydrogen 2.969 N/A CYS 151.A N ALA 148.A O no hydrogen 3.186 N/A CYS 151.A SG HIS 147.A O no hydrogen 3.637 N/A TRP 152.A N ALA 148.A O no hydrogen 2.860 N/A TRP 152.A NE1 HIS 147.A NE2 no hydrogen 3.019 N/A LEU 154.A N CYS 151.A O no hydrogen 2.944 N/A LEU 155.A N TRP 152.A O no hydrogen 2.993 N/A VAL 156.A N TRP 152.A O no hydrogen 3.024 N/A GLY 157.A N PRO 153.A O no hydrogen 3.035 N/A ALA 161.A N GLY 157.A O no hydrogen 3.043 N/A LYS 162.A N MET 158.A O no hydrogen 2.934 N/A TYR 163.A N ALA 159.A O no hydrogen 3.086 N/A TYR 163.A OH GLU 169.A OE1 no hydrogen 2.555 N/A TYR 164.A N LYS 160.A O no hydrogen 3.134 N/A LEU 165.A N ALA 161.A O no hydrogen 2.914 N/A LEU 166.A N LYS 162.A O no hydrogen 2.925 N/A THR 167.A N TYR 163.A O no hydrogen 3.185 N/A THR 167.A OG1 TYR 163.A O no hydrogen 2.681 N/A CYS 168.A N TYR 164.A O no hydrogen 2.943 N/A CYS 168.A SG THR 138.A OG1 no hydrogen 3.400 N/A GLU 169.A N THR 167.A OG1 no hydrogen 3.073 N/A LEU 171.A N ILE 133.A O no hydrogen 3.123 N/A GLY 173.A N ALA 131.A O no hydrogen 3.000 N/A GLU 174.A N ALA 129.A O no hydrogen 3.230 N/A GLU 175.A N SER 172.A OG no hydrogen 2.944 N/A ALA 176.A N SER 172.A O no hydrogen 2.864 N/A GLU 177.A N GLY 173.A O no hydrogen 3.040 N/A ARG 178.A N GLU 174.A O no hydrogen 3.133 N/A ARG 178.A NH1 GLU 175.A OE2 no hydrogen 2.984 N/A ILE 179.A N GLU 175.A O no hydrogen 3.061 N/A GLY 180.A N GLU 177.A O no hydrogen 3.195 N/A LEU 181.A N ALA 176.A O no hydrogen 2.890 N/A SER 183.A N SER 125.A O no hydrogen 3.090 N/A SER 183.A N SER 125.A OG no hydrogen 3.048 N/A THR 184.A N SER 125.A O no hydrogen 3.206 N/A CYS 185.A SG.A ALA 127.A O no hydrogen 3.631 N/A VAL 186.A N ALA 127.A O no hydrogen 3.020 N/A ASP 187.A N GLU 190.A OE1.A no hydrogen 3.076 N/A GLU 190.A N ASP 187.A O no hydrogen 2.792 N/A VAL 191.A N ASP 188.A O no hydrogen 3.248 N/A THR 194.A N GLU 190.A O no hydrogen 2.946 N/A THR 194.A OG1 GLU 190.A O no hydrogen 2.887 N/A THR 194.A OG1 GLU 190.A OE1.B no hydrogen 3.293 N/A ALA 195.A N VAL 191.A O no hydrogen 2.879 N/A THR 196.A N LEU 192.A O no hydrogen 2.794 N/A THR 196.A OG1 LEU 192.A O no hydrogen 2.770 N/A ARG 197.A N PRO 193.A O no hydrogen 2.963 N/A ARG 197.A NH1.B GLU 190.A OE1.B no hydrogen 2.787 N/A LEU 198.A N THR 194.A O no hydrogen 3.048 N/A ALA 199.A N ALA 195.A O no hydrogen 2.884 N/A GLU 200.A N THR 196.A O no hydrogen 2.884 N/A ASN 201.A N ARG 197.A O no hydrogen 2.841 N/A LEU 202.A N LEU 198.A O no hydrogen 3.018 N/A ALA 203.A N ALA 199.A O no hydrogen 2.904 N/A GLN 204.A N GLU 200.A O no hydrogen 3.025 N/A GLN 204.A N ASN 201.A O no hydrogen 3.300 N/A GLN 204.A NE2 GLU 200.A O no hydrogen 3.262 N/A GLY 205.A N LEU 202.A O no hydrogen 3.165 N/A GLN 207.A NE2 LEU 202.A O no hydrogen 2.882 N/A GLN 207.A NE2 GLY 205.A O no hydrogen 2.884 N/A ILE 210.A N ALA 206.A O no hydrogen 3.003 N/A ARG 211.A N GLN 207.A O no hydrogen 2.950 N/A ARG 211.A NH2 GLN 207.A OE1 no hydrogen 3.004 N/A TRP 212.A N ASN 208.A O no hydrogen 2.833 N/A THR 213.A N ALA 209.A O no hydrogen 3.060 N/A THR 213.A OG1 ALA 209.A O no hydrogen 2.693 N/A LYS 214.A N ILE 210.A O no hydrogen 3.051 N/A LYS 214.A NZ LEU 99.A O no hydrogen 3.001 N/A LYS 214.A NZ LYS 101.A O no hydrogen 2.854 N/A LYS 214.A NZ ASP 123.A OD1 no hydrogen 3.172 N/A LYS 214.A NZ ASP 123.A OD2 no hydrogen 2.785 N/A ARG 215.A N ARG 211.A O no hydrogen 2.825 N/A ARG 215.A NH1 ASP 100.A OD1 no hydrogen 2.858 N/A SER 216.A N TRP 212.A O no hydrogen 2.998 N/A SER 216.A OG TRP 212.A O no hydrogen 2.939 N/A LEU 217.A N THR 213.A O no hydrogen 3.050 N/A ASN 218.A N LYS 214.A O no hydrogen 2.870 N/A ASN 218.A ND2 VAL 97.A O no hydrogen 3.006 N/A HIS 219.A N SER 216.A O no hydrogen 3.140 N/A TRP 220.A N LEU 217.A O no hydrogen 3.012 N/A ARG 222.A N ASN 218.A O no hydrogen 3.045 N/A ARG 222.A NE.B ASN 98.A OD1 no hydrogen 3.015 N/A ARG 222.A NH1.B ARG 215.A O no hydrogen 2.764 N/A MET 223.A N HIS 219.A O no hydrogen 2.956 N/A PHE 224.A N TYR 221.A O no hydrogen 2.861 N/A GLY 225.A N ARG 222.A O no hydrogen 2.979 N/A PHE 228.A N PHE 224.A O no hydrogen 2.862 N/A GLU 229.A N GLY 225.A O no hydrogen 2.843 N/A THR 230.A N PRO 226.A O no hydrogen 2.911 N/A THR 230.A OG1.B PRO 226.A O no hydrogen 3.117 N/A SER 231.A N THR 227.A O no hydrogen 3.080 N/A SER 231.A OG PHE 228.A O no hydrogen 2.678 N/A LEU 232.A N PHE 228.A O no hydrogen 2.984 N/A GLY 233.A N GLU 229.A O no hydrogen 3.040 N/A LEU 234.A N THR 230.A O no hydrogen 3.076 N/A GLU 235.A N SER 231.A O no hydrogen 2.918 N/A PHE 236.A N LEU 232.A O no hydrogen 2.930 N/A LEU 237.A N GLY 233.A O no hydrogen 2.828 N/A GLY 238.A N LEU 234.A O no hydrogen 3.064 N/A PHE 239.A N PHE 236.A O no hydrogen 3.123 N/A THR 240.A N LEU 237.A O no hydrogen 3.324 N/A THR 240.A OG1 LEU 237.A O no hydrogen 2.752 N/A GLY 241.A N GLY 238.A O no hydrogen 2.988 N/A GLN 245.A N PRO 242.A O no hydrogen 3.321 N/A GLY 247.A N ASP 243.A O no hydrogen 2.878 N/A LEU 248.A N VAL 244.A O no hydrogen 2.743 N/A ALA 249.A N GLN 245.A O no hydrogen 3.040 N/A ALA 250.A N GLU 246.A O no hydrogen 2.896 N/A HIS 251.A N GLY 247.A O no hydrogen 3.094 N/A ARG 252.A N LEU 248.A O no hydrogen 3.069 N/A GLN 253.A N ALA 249.A O no hydrogen 2.875 N/A ARG 255.A N ALA 250.A O no hydrogen 3.308 N/A ARG 255.A NE GLN 253.A OE1 no hydrogen 2.966 N/A ARG 255.A NH1 GLU 246.A OE2 no hydrogen 2.576 N/A ARG 255.A NH1 PRO 256.A O no hydrogen 3.551 N/A ARG 255.A NH2 GLU 246.A OE1 no hydrogen 2.929 N/A ARG 258.A N GLU 246.A OE2 no hydrogen 2.757 N/A