Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a7k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLU 5.A OE1 no hydrogen 2.455 N/A LEU 6.A N THR 2.A O no hydrogen 3.264 N/A PHE 7.A N GLN 3.A O no hydrogen 2.719 N/A GLU 8.A N ARG 4.A O no hydrogen 2.753 N/A PHE 9.A N GLU 5.A O no hydrogen 2.816 N/A VAL 10.A N LEU 6.A O no hydrogen 3.051 N/A LEU 11.A N PHE 7.A O no hydrogen 3.418 N/A ASN 12.A ND2 GLU 8.A O no hydrogen 3.170 N/A ALA 17.A N ASP 13.A O no hydrogen 2.828 N/A SER 18.A N PRO 14.A O no hydrogen 2.892 N/A SER 18.A OG PRO 14.A O no hydrogen 2.645 N/A SER 18.A OG LEU 15.A O no hydrogen 2.711 N/A SER 19.A N LEU 15.A O no hydrogen 3.044 N/A SER 19.A OG LEU 16.A O no hydrogen 2.660 N/A SER 19.A OG SER 227.A OG no hydrogen 2.751 N/A LEU 20.A N LEU 16.A O no hydrogen 3.302 N/A LEU 20.A N ALA 17.A O no hydrogen 3.226 N/A TYR 21.A N ALA 17.A O no hydrogen 2.899 N/A ILE 22.A N SER 18.A O no hydrogen 3.141 N/A ILE 24.A N LEU 20.A O no hydrogen 3.274 N/A ILE 24.A N TYR 21.A O no hydrogen 3.228 N/A ALA 25.A N TYR 21.A O no hydrogen 3.280 N/A LEU 26.A N ILE 22.A O no hydrogen 2.865 N/A ALA 27.A N ASN 23.A O no hydrogen 2.871 N/A GLY 28.A N ILE 24.A O no hydrogen 3.267 N/A LEU 29.A N ALA 25.A O no hydrogen 2.934 N/A SER 30.A N LEU 26.A O no hydrogen 2.956 N/A SER 30.A OG LEU 26.A O no hydrogen 2.705 N/A ILE 31.A N ALA 27.A O no hydrogen 2.919 N/A LEU 32.A N GLY 28.A O no hydrogen 3.154 N/A LEU 33.A N LEU 29.A O no hydrogen 2.926 N/A PHE 34.A N SER 30.A O no hydrogen 2.843 N/A VAL 35.A N ILE 31.A O no hydrogen 2.980 N/A PHE 36.A N LEU 32.A O no hydrogen 3.040 N/A MET 37.A N LEU 33.A O no hydrogen 2.906 N/A THR 38.A N PHE 34.A O no hydrogen 3.107 N/A THR 38.A N VAL 35.A O no hydrogen 3.207 N/A THR 38.A OG1 PHE 34.A O no hydrogen 2.697 N/A THR 38.A OG1 VAL 35.A O no hydrogen 3.240 N/A LEU 41.A N THR 38.A O no hydrogen 2.952 N/A ASP 42.A N GLU 253.A OE1 no hydrogen 2.704 N/A ASP 43.A N GLU 253.A OE1 no hydrogen 2.660 N/A ARG 45.A NH1 VAL 256.A O no hydrogen 3.127 N/A ARG 45.A NH2 LEU 122.A O no hydrogen 2.703 N/A ALA 46.A N ASP 43.A OD2 no hydrogen 2.992 N/A LYS 47.A N ASP 43.A O no hydrogen 2.935 N/A LEU 48.A N PRO 44.A O no hydrogen 2.927 N/A LEU 48.A N ARG 45.A O no hydrogen 3.150 N/A ILE 49.A N ARG 45.A O no hydrogen 3.249 N/A ALA 50.A N ALA 46.A O no hydrogen 3.176 N/A VAL 51.A N LYS 47.A O no hydrogen 2.982 N/A SER 52.A N LEU 48.A O no hydrogen 2.898 N/A SER 52.A OG MET 115.A O no hydrogen 2.920 N/A THR 53.A N ILE 49.A O no hydrogen 2.939 N/A THR 53.A OG1 ILE 49.A O no hydrogen 2.840 N/A ILE 54.A N ALA 50.A O no hydrogen 2.861 N/A LEU 55.A N VAL 51.A O no hydrogen 3.025 N/A VAL 56.A N THR 53.A O no hydrogen 3.109 N/A VAL 58.A N ILE 54.A O no hydrogen 3.403 N/A VAL 59.A N LEU 55.A O no hydrogen 2.945 N/A SER 60.A N VAL 56.A O no hydrogen 3.056 N/A SER 60.A OG TYR 239.A OH no hydrogen 2.846 N/A ILE 61.A N PRO 57.A O no hydrogen 2.973 N/A ALA 62.A N VAL 58.A O no hydrogen 3.460 N/A SER 63.A N VAL 59.A O no hydrogen 2.875 N/A SER 63.A OG THR 108.A OG1 no hydrogen 2.620 N/A TYR 64.A N SER 60.A O no hydrogen 2.963 N/A TYR 64.A OH ASP 234.A OD2 no hydrogen 2.436 N/A THR 65.A N ILE 61.A O no hydrogen 2.921 N/A THR 65.A OG1 ILE 61.A O no hydrogen 2.787 N/A GLY 66.A N ALA 62.A O no hydrogen 2.888 N/A LEU 67.A N SER 63.A O no hydrogen 2.985 N/A ALA 68.A N TYR 64.A O no hydrogen 2.751 N/A SER 69.A N THR 65.A O no hydrogen 2.881 N/A SER 69.A OG THR 65.A O no hydrogen 2.913 N/A SER 69.A OG GLY 66.A O no hydrogen 3.212 N/A GLY 70.A N LEU 67.A O no hydrogen 3.148 N/A LEU 71.A N SER 69.A OG no hydrogen 3.265 N/A THR 72.A N GLY 66.A O no hydrogen 2.929 N/A SER 74.A N THR 101.A O no hydrogen 2.997 N/A LEU 76.A N VAL 99.A O no hydrogen 3.000 N/A GLY 81.A N GLU 85.A OE2 no hydrogen 3.093 N/A HIS 82.A N PRO 79.A O no hydrogen 2.982 N/A HIS 82.A NE2 GLU 216.A O no hydrogen 3.046 N/A ALA 84.A N HIS 82.A ND1 no hydrogen 2.915 N/A GLU 85.A N HIS 82.A O no hydrogen 2.864 N/A SER 87.A OG ALA 84.A O no hydrogen 2.602 N/A SER 88.A OG GLU 95.A OE2 no hydrogen 2.741 N/A VAL 89.A N VAL 96.A O no hydrogen 2.744 N/A GLY 98.A N SER 87.A O no hydrogen 2.652 N/A VAL 99.A N LEU 76.A O no hydrogen 2.636 N/A THR 101.A N SER 74.A O no hydrogen 2.603 N/A THR 101.A OG1 VAL 99.A O no hydrogen 3.269 N/A TRP 103.A NE1 SER 74.A OG no hydrogen 2.911 N/A GLY 104.A N THR 72.A O no hydrogen 2.932 N/A ARG 105.A N MET 102.A O no hydrogen 3.358 N/A ARG 105.A NH1 TYR 64.A OH no hydrogen 2.946 N/A ARG 105.A NH2 SER 227.A OG no hydrogen 2.870 N/A ARG 105.A NH2 SER 231.A OG no hydrogen 3.037 N/A LEU 107.A N TRP 103.A O no hydrogen 3.165 N/A THR 108.A N GLY 104.A O no hydrogen 3.290 N/A THR 108.A OG1 SER 63.A OG no hydrogen 2.620 N/A THR 108.A OG1 GLY 104.A O no hydrogen 3.269 N/A THR 108.A OG1 ARG 105.A O no hydrogen 3.265 N/A TRP 109.A N ARG 105.A O no hydrogen 3.104 N/A LEU 111.A N THR 108.A O no hydrogen 2.840 N/A SER 112.A N THR 108.A O no hydrogen 2.935 N/A SER 112.A OG THR 108.A O no hydrogen 3.227 N/A THR 113.A N TRP 109.A O no hydrogen 2.869 N/A THR 113.A OG1 TRP 109.A O no hydrogen 2.576 N/A THR 113.A OG1 ASP 138.A OD1 no hydrogen 3.127 N/A THR 113.A OG1 ASP 138.A OD2 no hydrogen 2.441 N/A MET 115.A N SER 112.A O no hydrogen 3.065 N/A ILE 116.A N SER 112.A O no hydrogen 3.245 N/A LEU 117.A N THR 113.A O no hydrogen 3.081 N/A LEU 118.A N PRO 114.A O no hydrogen 2.911 N/A ALA 119.A N MET 115.A O no hydrogen 2.997 N/A LEU 120.A N ILE 116.A O no hydrogen 2.945 N/A GLY 121.A N LEU 117.A O no hydrogen 2.781 N/A LEU 122.A N LEU 118.A O no hydrogen 2.969 N/A LEU 123.A N ALA 119.A O no hydrogen 2.902 N/A ALA 124.A N LEU 120.A O no hydrogen 2.872 N/A GLY 125.A N LEU 122.A O no hydrogen 2.786 N/A SER 126.A N GLY 121.A O no hydrogen 2.871 N/A SER 126.A OG ASN 127.A O no hydrogen 2.867 N/A LYS 130.A N ASN 127.A OD1 no hydrogen 2.895 N/A LYS 130.A NZ GLU 179.A OE1 no hydrogen 2.771 N/A LYS 130.A NZ ASP 183.A OD1 no hydrogen 3.181 N/A LYS 130.A NZ ASP 183.A OD2 no hydrogen 3.377 N/A PHE 132.A N ALA 128.A O no hydrogen 2.924 N/A THR 133.A N THR 129.A O no hydrogen 3.062 N/A THR 133.A OG1 THR 129.A O no hydrogen 2.707 N/A ALA 134.A N LYS 130.A O no hydrogen 2.827 N/A ILE 135.A N LEU 131.A O no hydrogen 2.995 N/A THR 136.A N PHE 132.A O no hydrogen 2.960 N/A THR 136.A OG1 PHE 132.A O no hydrogen 2.733 N/A THR 136.A OG1 THR 133.A O no hydrogen 3.201 N/A PHE 137.A N THR 133.A O no hydrogen 3.126 N/A ASP 138.A N ALA 134.A O no hydrogen 3.009 N/A ILE 139.A N ILE 135.A O no hydrogen 3.038 N/A ALA 140.A N THR 136.A O no hydrogen 2.939 N/A MET 141.A N PHE 137.A O no hydrogen 2.886 N/A CYS 142.A N ASP 138.A O no hydrogen 3.087 N/A CYS 142.A SG THR 113.A OG1 no hydrogen 3.433 N/A CYS 142.A SG ASP 138.A O no hydrogen 3.472 N/A VAL 143.A N ILE 139.A O no hydrogen 2.874 N/A THR 144.A N ALA 140.A O no hydrogen 3.025 N/A THR 144.A OG1 ALA 140.A O no hydrogen 2.741 N/A THR 144.A OG1 MET 141.A O no hydrogen 3.247 N/A GLY 145.A N MET 141.A O no hydrogen 3.059 N/A GLY 145.A N CYS 142.A O no hydrogen 3.136 N/A LEU 146.A N CYS 142.A O no hydrogen 2.959 N/A ALA 147.A N VAL 143.A O no hydrogen 2.985 N/A ALA 148.A N THR 144.A O no hydrogen 3.073 N/A ALA 149.A N GLY 145.A O no hydrogen 3.200 N/A LEU 150.A N LEU 146.A O no hydrogen 3.042 N/A LEU 150.A N ALA 147.A O no hydrogen 3.167 N/A THR 151.A N ALA 148.A O no hydrogen 3.257 N/A THR 151.A OG1 ALA 147.A O no hydrogen 2.728 N/A MET 157.A N SER 154.A OG no hydrogen 3.185 N/A ARG 158.A N SER 154.A O no hydrogen 3.386 N/A ARG 158.A NH1 ALA 149.A O no hydrogen 3.352 N/A ARG 158.A NH1 THR 151.A O no hydrogen 2.810 N/A ARG 158.A NH2 GLU 216.A O no hydrogen 2.894 N/A TRP 159.A N HIS 155.A O no hydrogen 3.281 N/A TRP 159.A NE1 HIS 155.A NE2 no hydrogen 3.030 N/A PHE 160.A N LEU 156.A O no hydrogen 3.006 N/A TRP 161.A N MET 157.A O no hydrogen 3.132 N/A TYR 162.A N ARG 158.A O no hydrogen 3.154 N/A TYR 162.A OH PRO 208.A O no hydrogen 2.870 N/A ALA 163.A N TRP 159.A O no hydrogen 2.918 N/A ILE 164.A N PHE 160.A O no hydrogen 2.909 N/A SER 165.A N TRP 161.A O no hydrogen 2.728 N/A SER 165.A OG MET 141.A O no hydrogen 2.671 N/A CYS 166.A N TYR 162.A O no hydrogen 2.851 N/A CYS 166.A SG TYR 162.A O no hydrogen 3.368 N/A ALA 167.A N ALA 163.A O no hydrogen 3.098 N/A CYS 168.A N ILE 164.A O no hydrogen 3.194 N/A CYS 168.A SG ILE 164.A O no hydrogen 3.529 N/A PHE 169.A N SER 165.A O no hydrogen 2.997 N/A ILE 170.A N CYS 166.A O no hydrogen 2.972 N/A VAL 171.A N CYS 168.A O no hydrogen 3.192 N/A VAL 172.A N CYS 168.A O no hydrogen 3.377 N/A LEU 173.A N PHE 169.A O no hydrogen 2.878 N/A TYR 174.A N ILE 170.A O no hydrogen 2.801 N/A TYR 174.A OH GLU 179.A OE2 no hydrogen 3.417 N/A ILE 175.A N VAL 171.A O no hydrogen 3.081 N/A LEU 176.A N VAL 172.A O no hydrogen 2.983 N/A LEU 177.A N LEU 173.A O no hydrogen 2.820 N/A VAL 178.A N TYR 174.A O no hydrogen 2.689 N/A GLU 179.A N TYR 174.A O no hydrogen 3.423 N/A TRP 180.A N ILE 175.A O no hydrogen 2.745 N/A GLN 182.A N GLU 179.A O no hydrogen 3.103 N/A ASP 183.A N GLU 179.A O no hydrogen 3.127 N/A ALA 184.A N TRP 180.A O no hydrogen 3.015 N/A LYS 185.A N GLN 182.A O no hydrogen 3.224 N/A ALA 186.A N ASP 183.A O no hydrogen 3.078 N/A ALA 187.A N ASP 183.A O no hydrogen 3.068 N/A THR 189.A N ALA 184.A O no hydrogen 2.936 N/A THR 189.A OG1 LEU 123.A O no hydrogen 2.739 N/A PHE 193.A N THR 189.A O no hydrogen 2.937 N/A SER 194.A N ALA 190.A O no hydrogen 2.973 N/A THR 195.A N ASP 191.A O no hydrogen 3.224 N/A THR 195.A OG1 ASP 191.A O no hydrogen 3.058 N/A LEU 196.A N ILE 192.A O no hydrogen 2.948 N/A LYS 197.A N PHE 193.A O no hydrogen 2.626 N/A LEU 198.A N SER 194.A O no hydrogen 3.111 N/A LEU 199.A N THR 195.A O no hydrogen 3.021 N/A THR 200.A N LEU 196.A O no hydrogen 2.943 N/A THR 200.A OG1 LEU 196.A O no hydrogen 2.903 N/A VAL 201.A N LYS 197.A O no hydrogen 2.858 N/A VAL 202.A N LEU 198.A O no hydrogen 2.949 N/A MET 203.A N LEU 199.A O no hydrogen 2.985 N/A TRP 204.A N THR 200.A O no hydrogen 2.899 N/A LEU 205.A N VAL 201.A O no hydrogen 3.143 N/A GLY 206.A N MET 203.A O no hydrogen 2.877 N/A TYR 207.A N TRP 204.A O no hydrogen 3.122 N/A TYR 207.A OH ASP 234.A OD1 no hydrogen 2.784 N/A VAL 210.A N GLY 206.A O no hydrogen 2.990 N/A TRP 211.A N TYR 207.A O no hydrogen 2.867 N/A ALA 212.A N PRO 208.A O no hydrogen 2.958 N/A LEU 213.A N ILE 209.A O no hydrogen 2.913 N/A GLY 214.A N VAL 210.A O no hydrogen 2.721 N/A GLY 217.A N GLY 214.A O no hydrogen 2.779 N/A VAL 218.A N ALA 212.A O no hydrogen 2.757 N/A ALA 219.A N GLY 214.A O no hydrogen 2.813 N/A VAL 220.A N LEU 213.A O no hydrogen 2.815 N/A LEU 221.A N LEU 213.A O no hydrogen 2.952 N/A TYR 225.A N PRO 222.A O no hydrogen 2.929 N/A THR 226.A N PRO 222.A O no hydrogen 2.883 N/A THR 226.A OG1 PRO 222.A O no hydrogen 3.536 N/A THR 226.A OG1 VAL 223.A O no hydrogen 2.650 N/A SER 227.A N VAL 223.A O no hydrogen 2.899 N/A SER 227.A OG SER 19.A OG no hydrogen 2.751 N/A TRP 228.A N GLY 224.A O no hydrogen 3.183 N/A TRP 228.A NE1 SER 18.A OG no hydrogen 2.947 N/A ALA 229.A N TYR 225.A O no hydrogen 3.082 N/A TYR 230.A N THR 226.A O no hydrogen 3.088 N/A SER 231.A N SER 227.A O no hydrogen 2.872 N/A SER 231.A OG SER 19.A O no hydrogen 2.617 N/A SER 231.A OG SER 227.A O no hydrogen 3.254 N/A ALA 232.A N TRP 228.A O no hydrogen 2.814 N/A LEU 233.A N ALA 229.A O no hydrogen 3.048 N/A ASP 234.A N TYR 230.A O no hydrogen 2.917 N/A ILE 235.A N SER 231.A O no hydrogen 3.165 N/A VAL 236.A N ALA 232.A O no hydrogen 3.408 N/A ALA 237.A N LEU 233.A O no hydrogen 2.773 N/A LYS 238.A N ASP 234.A O no hydrogen 2.822 N/A LYS 238.A NZ SER 112.A OG no hydrogen 3.405 N/A TYR 239.A N ASP 234.A O no hydrogen 3.431 N/A TYR 239.A OH SER 60.A OG no hydrogen 2.846 N/A ILE 240.A N ILE 235.A O no hydrogen 2.904 N/A PHE 241.A N VAL 236.A O no hydrogen 2.989 N/A ALA 242.A N LYS 238.A O no hydrogen 2.873 N/A PHE 243.A N TYR 239.A O no hydrogen 2.947 N/A LEU 244.A N ILE 240.A O no hydrogen 2.899 N/A LEU 245.A N PHE 241.A O no hydrogen 3.022 N/A LEU 246.A N ALA 242.A O no hydrogen 2.906 N/A ASN 247.A N PHE 243.A O no hydrogen 3.009 N/A TYR 248.A N LEU 244.A O no hydrogen 3.181 N/A LEU 249.A N LEU 245.A O no hydrogen 2.940 N/A THR 250.A N LEU 246.A O no hydrogen 3.029 N/A SER 251.A N TYR 248.A O no hydrogen 2.978 N/A ASN 252.A N LEU 249.A O no hydrogen 3.144 N/A ASN 252.A ND2 TYR 248.A O no hydrogen 2.972 N/A VAL 255.A N ASN 252.A O no hydrogen 2.990 N/A VAL 256.A N GLU 253.A O no hydrogen 3.315 N/A SER 257.A N GLY 254.A O no hydrogen 3.391 N/A SER 257.A OG GLY 254.A O no hydrogen 2.799 N/A SER 259.A OG GLY 258.A O no hydrogen 2.603 N/A