Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6h3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG TYR 10.A O no hydrogen 3.349 N/A MET 3.A N TYR 10.A O no hydrogen 2.942 N/A VAL 5.A N ARG 8.A O no hydrogen 3.073 N/A LYS 6.A N GLU 77.A OE1 no hydrogen 2.796 N/A LYS 6.A NZ ASP 75.A OD1 no hydrogen 3.364 N/A LYS 6.A NZ TYR 76.A O no hydrogen 3.173 N/A TYR 10.A N MET 3.A O no hydrogen 2.940 N/A SER 11.A N LEU 28.A O no hydrogen 3.022 N/A SER 11.A OG LEU 28.A O no hydrogen 3.566 N/A ILE 12.A N GLN 1.A O no hydrogen 3.291 N/A LEU 13.A N GLN 26.A O no hydrogen 2.878 N/A ILE 16.A N VAL 24.A O no hydrogen 2.793 N/A SER 18.A N GLN 157.A O no hydrogen 3.153 N/A GLY 19.A N SER 22.A O no hydrogen 3.056 N/A SER 21.A N GLY 19.A O no hydrogen 3.046 N/A SER 22.A OG TYR 53.A OH no hydrogen 3.129 N/A LYS 23.A N TYR 39.A O no hydrogen 2.842 N/A VAL 24.A N GLY 17.A O no hydrogen 3.094 N/A PHE 25.A N ILE 37.A O no hydrogen 2.951 N/A GLN 26.A N LYS 14.A O no hydrogen 2.882 N/A VAL 27.A N TYR 35.A O no hydrogen 3.006 N/A LEU 28.A N SER 11.A O no hydrogen 3.238 N/A ASN 29.A N GLN 33.A O no hydrogen 3.224 N/A ASN 29.A ND2 GLN 33.A OE1 no hydrogen 3.514 N/A LYS 32.A N ASN 29.A O no hydrogen 3.018 N/A GLN 33.A N ASN 29.A OD1 no hydrogen 2.810 N/A TYR 35.A N VAL 27.A O no hydrogen 3.301 N/A ALA 36.A N MET 87.A O no hydrogen 2.810 N/A ILE 37.A N PHE 25.A O no hydrogen 2.933 N/A LYS 38.A N MET 85.A O no hydrogen 3.084 N/A TYR 39.A N LYS 23.A O no hydrogen 2.752 N/A VAL 40.A N ILE 83.A O no hydrogen 3.024 N/A ASN 41.A N SER 21.A O no hydrogen 3.232 N/A LEU 42.A N GLN 81.A O no hydrogen 2.849 N/A ALA 45.A N LEU 42.A O no hydrogen 3.252 N/A ASP 46.A N THR 49.A OG1 no hydrogen 2.965 N/A THR 49.A N ASP 46.A OD2 no hydrogen 3.006 N/A THR 49.A OG1 ASP 46.A O no hydrogen 3.102 N/A THR 49.A OG1 ASP 46.A OD1 no hydrogen 3.030 N/A LEU 50.A N ASP 46.A O no hydrogen 2.857 N/A ASP 51.A N ASN 47.A O no hydrogen 3.355 N/A SER 52.A OG THR 49.A O no hydrogen 2.722 N/A TYR 53.A N THR 49.A O no hydrogen 3.391 N/A TYR 53.A N LEU 50.A O no hydrogen 3.239 N/A TYR 53.A OH SER 22.A OG no hydrogen 3.129 N/A ARG 54.A N LEU 50.A O no hydrogen 3.161 N/A ARG 54.A NH1 ASP 51.A OD1 no hydrogen 3.233 N/A ASN 55.A N ASP 51.A O no hydrogen 3.026 N/A GLU 56.A N SER 52.A O no hydrogen 3.161 N/A ILE 57.A N TYR 53.A O no hydrogen 3.225 N/A ALA 58.A N ARG 54.A O no hydrogen 3.325 N/A TYR 59.A N ASN 55.A O no hydrogen 3.291 N/A LEU 60.A N GLU 56.A O no hydrogen 2.998 N/A ASN 61.A N ILE 57.A O no hydrogen 3.077 N/A LYS 62.A N ALA 58.A O no hydrogen 3.143 N/A LEU 63.A N TYR 59.A O no hydrogen 2.977 N/A GLN 64.A N ASN 61.A O no hydrogen 3.484 N/A GLN 64.A NE2 LEU 60.A O no hydrogen 3.085 N/A GLN 64.A NE2 ILE 71.A O no hydrogen 2.921 N/A HIS 66.A ND1 LYS 62.A O no hydrogen 3.262 N/A SER 67.A N LEU 63.A O no hydrogen 3.400 N/A SER 67.A OG GLU 118.A OE2 no hydrogen 3.565 N/A LYS 69.A N SER 67.A OG no hydrogen 3.088 N/A ILE 71.A N LEU 147.A O no hydrogen 3.148 N/A ARG 72.A N GLU 88.A OE1 no hydrogen 2.811 N/A ARG 72.A NE GLN 64.A OE1 no hydrogen 3.235 N/A ARG 72.A NH2 SER 67.A O no hydrogen 2.785 N/A LEU 73.A N GLN 64.A OE1 no hydrogen 2.832 N/A TYR 74.A N VAL 86.A O no hydrogen 2.793 N/A TYR 76.A N ASP 75.A OD1 no hydrogen 3.247 N/A GLU 77.A N TYR 84.A O no hydrogen 2.993 N/A THR 79.A N TYR 82.A O no hydrogen 3.104 N/A THR 79.A OG1 TYR 82.A O no hydrogen 3.507 N/A TYR 82.A N THR 79.A OG1 no hydrogen 3.363 N/A TYR 82.A OH GLU 77.A OE2 no hydrogen 2.772 N/A ILE 83.A N VAL 40.A O no hydrogen 2.985 N/A TYR 84.A N GLU 77.A O no hydrogen 3.009 N/A MET 85.A N LYS 38.A O no hydrogen 2.969 N/A VAL 86.A N ASP 75.A O no hydrogen 2.836 N/A MET 87.A N ALA 36.A O no hydrogen 2.821 N/A GLU 88.A N ARG 72.A O no hydrogen 3.140 N/A CYS 89.A SG GLY 90.A O no hydrogen 3.833 N/A ASN 91.A N ILE 140.A O no hydrogen 2.947 N/A LEU 94.A N PHE 138.A O no hydrogen 2.944 N/A SER 96.A N ASP 93.A OD2 no hydrogen 3.145 N/A SER 96.A OG ASP 93.A OD1 no hydrogen 2.832 N/A SER 96.A OG ASP 93.A OD2 no hydrogen 3.477 N/A TRP 97.A N ASP 93.A O no hydrogen 3.216 N/A LEU 98.A N LEU 94.A O no hydrogen 2.924 N/A LYS 99.A N ASN 95.A O no hydrogen 3.094 N/A LYS 100.A N SER 96.A O no hydrogen 3.454 N/A LYS 101.A N TRP 97.A O no hydrogen 2.960 N/A ARG 109.A N ASP 105.A O no hydrogen 2.981 N/A ARG 109.A NH1 MET 190.A O no hydrogen 3.517 N/A ARG 109.A NH2 GLU 224.A OE1 no hydrogen 3.042 N/A LYS 110.A N PRO 106.A O no hydrogen 3.151 N/A LYS 110.A NZ TYR 253.A O no hydrogen 3.386 N/A LYS 110.A NZ ILE 256.A O no hydrogen 3.171 N/A SER 111.A N TRP 107.A O no hydrogen 3.226 N/A TYR 112.A N GLU 108.A O no hydrogen 2.941 N/A TRP 113.A N ARG 109.A O no hydrogen 3.029 N/A LYS 114.A N LYS 110.A O no hydrogen 3.320 N/A ASN 115.A N SER 111.A O no hydrogen 3.298 N/A MET 116.A N TYR 112.A O no hydrogen 3.046 N/A LEU 117.A N TRP 113.A O no hydrogen 3.095 N/A GLU 118.A N LYS 114.A O no hydrogen 3.050 N/A ALA 119.A N ASN 115.A O no hydrogen 3.168 N/A VAL 120.A N MET 116.A O no hydrogen 2.987 N/A HIS 121.A N LEU 117.A O no hydrogen 2.900 N/A THR 122.A N GLU 118.A O no hydrogen 3.244 N/A THR 122.A OG1 GLU 118.A O no hydrogen 2.782 N/A HIS 124.A N VAL 120.A O no hydrogen 3.189 N/A HIS 124.A NE2 ASP 179.A OD2 no hydrogen 2.737 N/A GLN 125.A N HIS 121.A O no hydrogen 3.100 N/A HIS 126.A N ILE 123.A O no hydrogen 3.163 N/A HIS 126.A ND1 THR 122.A O no hydrogen 3.029 N/A GLY 127.A N HIS 124.A O no hydrogen 3.126 N/A ILE 128.A N ILE 123.A O no hydrogen 2.919 N/A HIS 130.A N ASP 179.A OD2 no hydrogen 3.122 N/A HIS 130.A NE2 ASP 149.A OD2 no hydrogen 3.070 N/A SER 131.A N ASP 179.A OD1 no hydrogen 2.852 N/A SER 131.A OG HIS 130.A O no hydrogen 2.728 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.127 N/A LYS 134.A N ASN 137.A OD1 no hydrogen 2.912 N/A LYS 134.A NZ ASP 132.A O no hydrogen 2.817 N/A LYS 134.A NZ ASP 132.A OD2 no hydrogen 2.892 N/A LYS 134.A NZ ASN 137.A OD1 no hydrogen 3.153 N/A ASN 137.A N LYS 134.A O no hydrogen 3.039 N/A ASN 137.A ND2 ASP 149.A OD1 no hydrogen 2.816 N/A PHE 138.A N PRO 135.A O no hydrogen 3.014 N/A LEU 139.A N LYS 146.A O no hydrogen 2.851 N/A ILE 140.A N ILE 92.A O no hydrogen 2.965 N/A VAL 141.A N MET 144.A O no hydrogen 2.818 N/A ASP 142.A N ASN 91.A OD1 no hydrogen 3.295 N/A LEU 145.A N ASN 115.A OD1 no hydrogen 3.071 N/A LYS 146.A N LEU 139.A O no hydrogen 2.872 N/A LYS 146.A NZ ASP 68.A O no hydrogen 2.854 N/A LYS 146.A NZ GLU 88.A OE1 no hydrogen 3.358 N/A LEU 147.A N LYS 69.A O no hydrogen 2.804 N/A ILE 148.A N ASN 137.A O no hydrogen 2.804 N/A PHE 150.A N GLU 56.A OE2 no hydrogen 3.206 N/A ALA 153.A N GLU 56.A OE1 no hydrogen 2.869 N/A GLN 157.A N SER 18.A O no hydrogen 2.897 N/A ASN 161.A N THR 159.A OG1 no hydrogen 3.291 N/A MET 163.A N VAL 160.A O no hydrogen 3.405 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.856 N/A LYS 169.A N PRO 165.A O no hydrogen 3.243 N/A ASP 170.A N GLU 166.A O no hydrogen 3.170 N/A MET 171.A N LYS 169.A O no hydrogen 2.978 N/A LYS 177.A NZ PRO 239.A O no hydrogen 3.076 N/A LYS 177.A NZ ARG 242.A O no hydrogen 2.812 N/A SER 178.A N SER 175.A O no hydrogen 3.145 N/A SER 178.A OG GLU 166.A OE2 no hydrogen 2.794 N/A SER 178.A OG SER 175.A O no hydrogen 3.323 N/A ASP 179.A N PRO 176.A O no hydrogen 3.212 N/A TRP 181.A N LYS 177.A O no hydrogen 3.434 N/A SER 182.A N SER 178.A O no hydrogen 3.423 N/A SER 182.A OG TYR 162.A O no hydrogen 2.770 N/A LEU 183.A N ASP 179.A O no hydrogen 2.936 N/A GLY 184.A N VAL 180.A O no hydrogen 2.964 N/A CYS 185.A N TRP 181.A O no hydrogen 3.071 N/A CYS 185.A SG ASN 161.A O no hydrogen 3.866 N/A CYS 185.A SG TRP 181.A O no hydrogen 3.475 N/A ILE 186.A N SER 182.A O no hydrogen 3.229 N/A LEU 187.A N LEU 183.A O no hydrogen 3.059 N/A TYR 188.A N GLY 184.A O no hydrogen 2.812 N/A TYR 188.A OH GLU 218.A O no hydrogen 2.708 N/A TYR 189.A N CYS 185.A O no hydrogen 3.163 N/A MET 190.A N ILE 186.A O no hydrogen 3.172 N/A THR 191.A OG1 LEU 187.A O no hydrogen 2.774 N/A TYR 192.A N TYR 188.A O no hydrogen 2.925 N/A TYR 192.A OH PRO 220.A O no hydrogen 3.000 N/A GLY 193.A N TYR 189.A O no hydrogen 2.943 N/A GLN 198.A N THR 195.A O no hydrogen 3.281 N/A GLN 198.A NE2 THR 195.A OG1 no hydrogen 3.215 N/A GLN 203.A NE2 ILE 201.A O no hydrogen 2.830 N/A SER 205.A N ASN 202.A OD1 no hydrogen 3.372 N/A LYS 206.A N ASN 202.A O no hydrogen 2.902 N/A LYS 206.A NZ ASN 161.A OD1 no hydrogen 2.806 N/A LYS 206.A NZ PHE 197.A O no hydrogen 2.954 N/A LYS 206.A NZ ILE 200.A O no hydrogen 2.805 N/A LEU 207.A N GLN 203.A O no hydrogen 3.173 N/A HIS 208.A N ILE 204.A O no hydrogen 3.270 N/A HIS 208.A ND1 ILE 204.A O no hydrogen 2.923 N/A ALA 209.A N SER 205.A O no hydrogen 3.195 N/A ILE 210.A N LYS 206.A O no hydrogen 3.398 N/A ASP 212.A N HIS 208.A O no hydrogen 3.056 N/A VAL 230.A N ASP 226.A O no hydrogen 3.208 N/A LEU 231.A N LEU 227.A O no hydrogen 3.233 N/A LYS 232.A N GLN 228.A O no hydrogen 3.258 N/A CYS 233.A N ASP 229.A O no hydrogen 3.019 N/A CYS 233.A SG ASP 229.A O no hydrogen 3.390 N/A CYS 233.A SG ASP 229.A OD2 no hydrogen 3.723 N/A CYS 234.A N VAL 230.A O no hydrogen 2.819 N/A CYS 234.A SG VAL 230.A O no hydrogen 3.355 N/A LEU 235.A N LEU 231.A O no hydrogen 3.047 N/A ARG 237.A NE ILE 210.A O no hydrogen 2.875 N/A ARG 237.A NH2 ALA 209.A O no hydrogen 2.995 N/A LYS 240.A N ASP 238.A OD1 no hydrogen 3.256 N/A GLN 241.A N ASP 238.A O no hydrogen 3.180 N/A ARG 242.A N ASP 238.A O no hydrogen 2.971 N/A ARG 242.A NE LYS 236.A O no hydrogen 2.815 N/A ARG 242.A NH1 GLU 166.A OE1 no hydrogen 3.419 N/A ARG 242.A NH1 GLU 166.A OE2 no hydrogen 2.960 N/A ARG 242.A NH1 LYS 177.A O no hydrogen 3.009 N/A ARG 242.A NH2 GLU 166.A OE1 no hydrogen 3.001 N/A ARG 242.A NH2 LYS 236.A O no hydrogen 3.013 N/A ILE 243.A N CYS 233.A O no hydrogen 3.454 N/A LEU 248.A N SER 244.A O no hydrogen 3.043 N/A LEU 249.A N ILE 245.A O no hydrogen 3.032 N/A ALA 250.A N GLU 247.A O no hydrogen 3.127 N/A HIS 251.A N LEU 248.A O no hydrogen 3.321 N/A HIS 251.A NE2 ASP 229.A OD2 no hydrogen 3.001 N/A TYR 253.A N HIS 251.A ND1 no hydrogen 3.111 N/A VAL 254.A N HIS 251.A O no hydrogen 3.069 N/A GLN 255.A N HIS 251.A O no hydrogen 3.190 N/A GLN 255.A NE2 LEU 249.A O no hydrogen 2.816 N/A ILE 256.A N PRO 252.A O no hydrogen 2.808 N/A