Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ex1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG GLN 26.A OE1.A no hydrogen 3.494 N/A PHE 5.A N TYR 252.A OH no hydrogen 2.907 N/A GLY 6.A N GLN 26.A OE1.A no hydrogen 2.734 N/A GLY 6.A N GLN 26.A OE1.B no hydrogen 2.975 N/A ALA 7.A N SER 4.A OG no hydrogen 3.048 N/A ARG 8.A N SER 4.A O no hydrogen 2.879 N/A ARG 8.A NE PRO 188.A O no hydrogen 2.888 N/A ARG 8.A NH1 ASP 223.A OD1 no hydrogen 2.778 N/A ARG 8.A NH2 PRO 188.A O no hydrogen 3.255 N/A ARG 8.A NH2 ASP 223.A OD2 no hydrogen 3.009 N/A ALA 9.A N PHE 5.A O no hydrogen 3.009 N/A GLU 10.A N ALA 7.A O no hydrogen 3.035 N/A LEU 11.A N ARG 8.A O no hydrogen 3.094 N/A ILE 14.A N LEU 11.A O no hydrogen 3.019 N/A VAL 17.A N HIS 15.A ND1 no hydrogen 2.937 N/A SER 19.A N HIS 15.A O no hydrogen 2.813 N/A SER 19.A OG ALA 9.A O no hydrogen 2.666 N/A LYS 20.A N PRO 16.A O no hydrogen 2.990 N/A LEU 21.A N VAL 17.A O no hydrogen 3.038 N/A LEU 22.A N ALA 18.A O no hydrogen 2.821 N/A ARG 23.A N SER 19.A O no hydrogen 2.909 N/A ARG 23.A NE SER 19.A OG no hydrogen 3.184 N/A ARG 23.A NH1 SER 19.A OG no hydrogen 3.406 N/A LEU 24.A N LYS 20.A O no hydrogen 3.182 N/A MET 25.A N LEU 21.A O no hydrogen 2.857 N/A GLN 26.A N LEU 22.A O no hydrogen 3.082 N/A LYS 27.A N ARG 23.A O no hydrogen 2.894 N/A LYS 27.A NZ GLU 84.A OE1 no hydrogen 2.766 N/A LYS 27.A NZ GLU 84.A OE2 no hydrogen 3.490 N/A LYS 28.A N LEU 24.A O no hydrogen 2.916 N/A LYS 28.A NZ GLY 52.A O no hydrogen 2.844 N/A LYS 28.A NZ ILE 55.A O no hydrogen 2.857 N/A LYS 28.A NZ HIS 83.A O no hydrogen 2.710 N/A LYS 28.A NZ GLU 84.A O no hydrogen 2.791 N/A GLU 29.A N GLN 26.A O no hydrogen 3.417 N/A THR 30.A N MET 25.A O no hydrogen 3.112 N/A THR 30.A OG1 SER 54.A O no hydrogen 2.798 N/A ASN 31.A ND2 ASP 223.A O no hydrogen 2.890 N/A ASN 31.A ND2 ALA 248.A O no hydrogen 3.176 N/A LEU 32.A N THR 30.A OG1 no hydrogen 3.169 N/A CYS 33.A N ILE 225.A O no hydrogen 2.804 N/A CYS 33.A SG LEU 34.A O no hydrogen 3.977 N/A CYS 33.A SG MET 57.A O no hydrogen 3.815 N/A LEU 34.A N MET 57.A O no hydrogen 2.997 N/A SER 35.A N VAL 227.A O no hydrogen 2.872 N/A SER 35.A OG ASP 37.A OD1 no hydrogen 3.296 N/A SER 35.A OG ASP 37.A OD2 no hydrogen 2.887 N/A ALA 36.A N LYS 59.A O no hydrogen 2.970 N/A VAL 38.A N ALA 36.A O no hydrogen 3.072 N/A ALA 41.A N ASP 67.A OD1 no hydrogen 2.792 N/A LEU 44.A N LEU 40.A O no hydrogen 3.095 N/A LEU 45.A N ALA 41.A O no hydrogen 3.025 N/A GLN 46.A N ARG 42.A O no hydrogen 2.820 N/A LEU 47.A N GLU 43.A O no hydrogen 2.920 N/A ALA 48.A N LEU 44.A O no hydrogen 2.994 N/A ASP 49.A N LEU 45.A O no hydrogen 2.988 N/A ALA 50.A N GLN 46.A O no hydrogen 3.029 N/A LEU 51.A N LEU 47.A O no hydrogen 2.876 N/A SER 54.A N LEU 51.A O no hydrogen 2.814 N/A SER 54.A OG GLU 242.A OE2 no hydrogen 2.647 N/A ILE 55.A N GLY 52.A O no hydrogen 3.349 N/A CYS 56.A N LEU 32.A O no hydrogen 2.878 N/A CYS 56.A SG LEU 32.A O no hydrogen 3.541 N/A LEU 58.A N LEU 86.A O no hydrogen 2.857 N/A LYS 59.A N LEU 34.A O no hydrogen 2.742 N/A LYS 59.A NZ SER 35.A OG no hydrogen 3.183 N/A LYS 59.A NZ ASP 90.A OD2 no hydrogen 2.689 N/A THR 60.A N PHE 88.A O no hydrogen 2.776 N/A THR 60.A OG1 PHE 88.A O no hydrogen 3.430 N/A THR 60.A OG1 GLU 89.A OE1 no hydrogen 2.754 N/A HIS 61.A ND1 ASP 37.A OD1 no hydrogen 3.047 N/A VAL 62.A N GLU 89.A OE1 no hydrogen 2.903 N/A ILE 64.A N HIS 61.A O no hydrogen 3.104 N/A LEU 65.A N VAL 62.A O no hydrogen 3.195 N/A ASN 66.A N SER 39.A O no hydrogen 2.684 N/A ASP 71.A N THR 69.A OG1 no hydrogen 3.255 N/A VAL 72.A N THR 69.A O no hydrogen 3.064 N/A VAL 72.A N THR 69.A OG1 no hydrogen 3.232 N/A LYS 74.A N LEU 70.A O no hydrogen 2.935 N/A GLU 75.A N ASP 71.A O no hydrogen 3.059 N/A LEU 76.A N VAL 72.A O no hydrogen 2.918 N/A ILE 77.A N MET 73.A O no hydrogen 2.914 N/A THR 78.A N LYS 74.A O no hydrogen 3.200 N/A THR 78.A OG1.A LYS 74.A O no hydrogen 3.271 N/A THR 78.A OG1.B GLU 75.A O no hydrogen 2.981 N/A LEU 79.A N GLU 75.A O no hydrogen 3.224 N/A ALA 80.A N LEU 76.A O no hydrogen 2.902 N/A LYS 81.A N ILE 77.A O no hydrogen 2.866 N/A CYS 82.A N THR 78.A O no hydrogen 2.920 N/A HIS 83.A N LEU 79.A O no hydrogen 2.888 N/A HIS 83.A NE2 ASP 49.A OD1 no hydrogen 2.723 N/A PHE 85.A N ALA 80.A O no hydrogen 3.055 N/A LEU 86.A N CYS 56.A O no hydrogen 3.042 N/A ILE 87.A N ASP 116.A OD2 no hydrogen 2.887 N/A PHE 88.A N LEU 58.A O no hydrogen 2.905 N/A GLU 89.A N LEU 117.A O no hydrogen 2.944 N/A ASP 90.A N THR 60.A O no hydrogen 2.877 N/A ARG 91.A NH1 ARG 91.A O no hydrogen 2.811 N/A LYS 92.A N ASN 119.A OD1 no hydrogen 2.915 N/A LYS 92.A NZ ASP 90.A OD1 no hydrogen 2.660 N/A PHE 93.A N ASN 119.A O no hydrogen 3.104 N/A ILE 96.A N ASP 95.A OD1 no hydrogen 2.844 N/A VAL 100.A N ILE 96.A O no hydrogen 2.981 N/A LYS 101.A N GLY 97.A O no hydrogen 3.204 N/A LYS 101.A NZ ASN 98.A O no hydrogen 3.042 N/A LYS 102.A NZ.B ASN 98.A OD1 no hydrogen 3.543 N/A GLN 103.A N THR 99.A O no hydrogen 3.045 N/A TYR 104.A N VAL 100.A O no hydrogen 2.864 N/A GLU 105.A N LYS 101.A O no hydrogen 3.134 N/A GLY 106.A N LYS 102.A O no hydrogen 2.934 N/A LYS 110.A N GLY 106.A O no hydrogen 3.163 N/A LYS 110.A NZ GLU 105.A O no hydrogen 2.902 N/A ALA 112.A N TYR 104.A O no hydrogen 2.970 N/A SER 113.A N LYS 110.A O no hydrogen 2.913 N/A SER 113.A OG.A LYS 110.A O no hydrogen 2.648 N/A TRP 114.A N ILE 111.A O no hydrogen 3.135 N/A TRP 114.A NE1 PHE 109.A O no hydrogen 2.731 N/A ALA 115.A N ILE 111.A O no hydrogen 2.917 N/A LEU 117.A N ILE 87.A O no hydrogen 3.113 N/A VAL 118.A N GLY 142.A O no hydrogen 3.239 N/A ASN 119.A ND2 ASP 90.A OD1 no hydrogen 2.742 N/A ALA 120.A N LEU 144.A O no hydrogen 2.989 N/A HIS 121.A N PHE 93.A O no hydrogen 2.837 N/A GLY 125.A N VAL 122.A O no hydrogen 2.895 N/A VAL 128.A N GLY 125.A O no hydrogen 3.108 N/A VAL 129.A N SER 126.A O no hydrogen 2.977 N/A LYS 130.A N SER 126.A O no hydrogen 3.025 N/A GLY 131.A N GLY 127.A O no hydrogen 2.939 N/A LEU 132.A N VAL 128.A O no hydrogen 3.192 N/A GLN 133.A N VAL 129.A O no hydrogen 2.743 N/A GLU 134.A N LYS 130.A O no hydrogen 3.256 N/A VAL 135.A N LEU 132.A O no hydrogen 3.060 N/A GLY 136.A N LEU 132.A O no hydrogen 2.888 N/A LEU 137.A N GLN 133.A O no hydrogen 2.918 N/A HIS 140.A N LEU 137.A O no hydrogen 3.003 N/A ARG 141.A N GLY 136.A O no hydrogen 2.880 N/A ARG 141.A NE ALA 112.A O no hydrogen 2.949 N/A ARG 141.A NH2 ALA 112.A O no hydrogen 3.025 N/A GLY 142.A N ASP 116.A O no hydrogen 3.066 N/A CYS 143.A N PHE 174.A O no hydrogen 2.980 N/A CYS 143.A SG VAL 118.A O no hydrogen 3.870 N/A CYS 143.A SG LEU 144.A O no hydrogen 3.816 N/A LEU 144.A N VAL 118.A O no hydrogen 2.835 N/A LEU 145.A N GLY 177.A O no hydrogen 2.921 N/A ILE 146.A N ALA 120.A O no hydrogen 2.952 N/A ALA 147.A N ILE 179.A O no hydrogen 2.929 N/A GLU 148.A N ILE 179.A O no hydrogen 3.352 N/A SER 150.A OG GLN 208.A OE1 no hydrogen 2.651 N/A THR 152.A N GLY 207.A O no hydrogen 2.764 N/A THR 152.A OG1 GLY 207.A O no hydrogen 3.363 N/A SER 154.A N SER 151.A O no hydrogen 3.205 N/A ALA 156.A N SER 154.A OG no hydrogen 3.147 N/A THR 157.A N LEU 155.A O no hydrogen 2.943 N/A TYR 160.A N THR 157.A O no hydrogen 3.043 N/A THR 161.A OG1 ALA 147.A O no hydrogen 2.807 N/A ARG 162.A N GLY 158.A O no hydrogen 3.091 N/A ARG 162.A NE ASP 159.A OD1 no hydrogen 3.036 N/A ARG 162.A NH2 ASP 159.A OD1 no hydrogen 2.816 N/A ALA 163.A N ASP 159.A O no hydrogen 2.981 N/A ALA 164.A N TYR 160.A O no hydrogen 3.030 N/A VAL 165.A N THR 161.A O no hydrogen 3.109 N/A ARG 166.A N ARG 162.A O no hydrogen 2.996 N/A MET 167.A N ALA 163.A O no hydrogen 2.945 N/A ALA 168.A N ALA 164.A O no hydrogen 3.013 N/A GLU 169.A N VAL 165.A O no hydrogen 2.980 N/A GLU 170.A N ARG 166.A O no hydrogen 2.985 N/A HIS 171.A N ALA 168.A O no hydrogen 3.085 N/A HIS 171.A ND1 MET 167.A O no hydrogen 2.963 N/A PHE 174.A N HIS 171.A O no hydrogen 3.040 N/A VAL 175.A N HIS 171.A O no hydrogen 2.904 N/A VAL 176.A N CYS 143.A O no hydrogen 2.800 N/A PHE 178.A N LEU 191.A O no hydrogen 2.854 N/A ILE 179.A N LEU 145.A O no hydrogen 2.971 N/A SER 180.A N LEU 193.A O no hydrogen 2.929 N/A SER 180.A OG SER 182.A O no hydrogen 2.790 N/A GLY 181.A N GLU 148.A OE1 no hydrogen 2.840 N/A SER 182.A OG.A GLU 148.A OE1 no hydrogen 3.475 N/A SER 182.A OG.A ARG 183.A O no hydrogen 3.465 N/A ARG 183.A N ARG 220.A O no hydrogen 2.905 N/A ARG 183.A NE GLY 221.A O no hydrogen 3.077 N/A ARG 183.A NH1 GLU 2.A OE2 no hydrogen 2.789 N/A ARG 183.A NH2 GLU 2.A OE2 no hydrogen 2.367 N/A ARG 183.A NH2 GLY 221.A O no hydrogen 3.188 N/A VAL 184.A N HIS 192.A NE2 no hydrogen 3.115 N/A SER 185.A N HIS 192.A NE2 no hydrogen 3.302 N/A SER 185.A OG GLU 169.A OE2.B no hydrogen 2.923 N/A LYS 187.A N SER 185.A OG no hydrogen 3.130 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.839 N/A PHE 190.A N LYS 187.A O no hydrogen 3.236 N/A LEU 191.A N VAL 176.A O no hydrogen 2.900 N/A HIS 192.A N ASP 223.A OD2 no hydrogen 2.899 N/A LEU 193.A N PHE 178.A O no hydrogen 2.915 N/A THR 194.A N ILE 224.A O no hydrogen 2.872 N/A THR 194.A OG1 SER 180.A O no hydrogen 2.694 N/A THR 194.A OG1 SER 222.A OG.A no hydrogen 2.632 N/A THR 194.A OG1 SER 222.A OG.B no hydrogen 2.741 N/A GLN 198.A N ASN 211.A O no hydrogen 3.102 N/A GLN 198.A NE2.B GLU 200.A O no hydrogen 2.731 N/A LEU 199.A N TYR 244.A OH no hydrogen 2.996 N/A ASP 204.A N GLN 208.A O no hydrogen 3.106 N/A LEU 206.A N ASP 204.A OD1 no hydrogen 2.809 N/A GLN 208.A N ASP 204.A OD1 no hydrogen 2.910 N/A GLN 209.A N GLN 208.A OE1 no hydrogen 3.061 N/A GLN 209.A NE2 SER 150.A O no hydrogen 3.038 N/A TYR 210.A N GLY 202.A O no hydrogen 3.042 N/A ASN 211.A N GLY 196.A O no hydrogen 2.869 N/A GLU 215.A N SER 212.A OG no hydrogen 3.206 N/A VAL 216.A N SER 212.A O no hydrogen 2.974 N/A ILE 217.A N PRO 213.A O no hydrogen 2.926 N/A GLY 218.A N GLN 214.A O no hydrogen 2.836 N/A LYS 219.A N GLN 214.A O no hydrogen 3.286 N/A LYS 219.A N GLU 215.A O no hydrogen 3.172 N/A ARG 220.A N GLU 215.A O no hydrogen 2.927 N/A ARG 220.A NE GLU 215.A OE2 no hydrogen 2.665 N/A SER 222.A N VAL 216.A O no hydrogen 3.023 N/A SER 222.A OG.A HIS 192.A O no hydrogen 3.093 N/A SER 222.A OG.A THR 194.A OG1 no hydrogen 2.632 N/A SER 222.A OG.B THR 194.A OG1 no hydrogen 2.741 N/A ASP 223.A N HIS 192.A O no hydrogen 2.958 N/A ILE 224.A N HIS 192.A O no hydrogen 3.043 N/A ILE 225.A N ASN 31.A O no hydrogen 3.058 N/A ILE 226.A N THR 194.A O no hydrogen 2.840 N/A VAL 227.A N CYS 33.A O no hydrogen 2.993 N/A ARG 229.A NH1 ASP 204.A OD2 no hydrogen 2.986 N/A ARG 229.A NH2 ASP 204.A OD2 no hydrogen 3.077 N/A ILE 231.A N GLY 228.A O no hydrogen 2.915 N/A ILE 232.A N GLY 228.A O no hydrogen 2.857 N/A SER 233.A N ARG 229.A O no hydrogen 3.070 N/A ALA 234.A N ILE 231.A O no hydrogen 3.021 N/A ARG 237.A NH2 ILE 232.A O no hydrogen 2.888 N/A GLU 239.A N ASP 236.A OD1 no hydrogen 3.020 N/A ALA 240.A N ASP 236.A O no hydrogen 2.947 N/A ALA 241.A N ARG 237.A O no hydrogen 2.895 N/A GLU 242.A N LEU 238.A O no hydrogen 3.012 N/A MET 243.A N GLU 239.A O no hydrogen 2.908 N/A TYR 244.A N ALA 240.A O no hydrogen 3.035 N/A ARG 245.A N ALA 241.A O no hydrogen 2.850 N/A ARG 245.A NE GLU 242.A OE1 no hydrogen 3.421 N/A ARG 245.A NE GLU 242.A OE2 no hydrogen 2.994 N/A ARG 245.A NH1 GLU 29.A O no hydrogen 2.881 N/A ARG 245.A NH2 GLU 242.A OE1 no hydrogen 2.863 N/A LYS 246.A N GLU 242.A O no hydrogen 2.848 N/A ALA 247.A N MET 243.A O no hydrogen 3.007 N/A ALA 248.A N TYR 244.A O no hydrogen 2.918 N/A TRP 249.A N ARG 245.A O no hydrogen 2.800 N/A GLU 250.A N LYS 246.A O no hydrogen 2.982 N/A ALA 251.A N ALA 247.A O no hydrogen 3.086 N/A TYR 252.A N ALA 248.A O no hydrogen 3.063 N/A LEU 253.A N TRP 249.A O no hydrogen 2.941 N/A SER 254.A N GLU 250.A O no hydrogen 2.949 N/A SER 254.A OG GLU 250.A O no hydrogen 2.957 N/A ARG 255.A N ALA 251.A O no hydrogen 3.226 N/A ARG 255.A NH1 ILE 217.A O no hydrogen 2.947 N/A ARG 255.A NH1 SER 222.A O no hydrogen 2.670 N/A ARG 255.A NH2 ASP 223.A OD1 no hydrogen 3.335 N/A LEU 256.A N TYR 252.A O no hydrogen 3.025 N/A GLY 257.A N LEU 253.A O no hydrogen 2.978 N/A