Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3khs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 5.A OD2 no hydrogen 3.191 N/A THR 2.A OG1 ASP 5.A OD2 no hydrogen 3.197 N/A ASP 5.A N THR 2.A OG1 no hydrogen 3.327 N/A LEU 6.A N THR 2.A O no hydrogen 2.880 N/A ALA 7.A N ASP 3.A O no hydrogen 2.713 N/A LYS 8.A N TYR 4.A O no hydrogen 2.966 N/A GLU 9.A N ASP 5.A O no hydrogen 3.159 N/A THR 10.A N LEU 6.A O no hydrogen 2.868 N/A THR 10.A OG1 LEU 6.A O no hydrogen 3.036 N/A THR 10.A OG1 PRO 51.A O no hydrogen 2.682 N/A ALA 11.A N ALA 7.A O no hydrogen 2.771 N/A ALA 12.A N LYS 8.A O no hydrogen 2.757 N/A TRP 13.A N GLU 9.A O no hydrogen 2.946 N/A LEU 14.A N THR 10.A O no hydrogen 3.058 N/A ASN 15.A N ALA 11.A O no hydrogen 2.705 N/A GLN 17.A N LEU 14.A O no hydrogen 2.920 N/A LEU 18.A N ASN 15.A O no hydrogen 2.952 N/A VAL 23.A N SER 67.A O no hydrogen 2.908 N/A LEU 24.A N SER 67.A O no hydrogen 3.286 N/A GLY 25.A N ILE 100.A O no hydrogen 2.685 N/A ILE 26.A N VAL 69.A O no hydrogen 2.887 N/A VAL 27.A N VAL 102.A O no hydrogen 2.983 N/A CYS 28.A N MET 71.A O no hydrogen 2.798 N/A CYS 28.A SG LEU 32.A O no hydrogen 3.456 N/A CYS 28.A SG MET 71.A O no hydrogen 3.479 N/A GLY 29.A N THR 104.A OG1 no hydrogen 2.879 N/A LEU 32.A N GLY 29.A O no hydrogen 3.207 N/A ILE 35.A N LEU 32.A O no hydrogen 3.351 N/A GLY 36.A N GLY 33.A O no hydrogen 2.701 N/A ASP 37.A N LYS 34.A O no hydrogen 2.917 N/A SER 38.A N ILE 35.A O no hydrogen 3.142 N/A LEU 39.A N GLY 36.A O no hydrogen 3.001 N/A GLU 40.A N SER 62.A O no hydrogen 2.759 N/A ILE 43.A N PHE 60.A O no hydrogen 2.840 N/A VAL 45.A N LEU 58.A O no hydrogen 2.899 N/A TYR 47.A N GLY 56.A O no hydrogen 2.732 N/A TYR 47.A OH GLY 73.A O no hydrogen 2.601 N/A SER 48.A OG ASP 49.A OD1 no hydrogen 3.533 N/A ASP 49.A N ALA 46.A O no hydrogen 3.115 N/A ILE 50.A N TYR 47.A O no hydrogen 2.961 N/A ASN 52.A ND2 LEU 6.A O no hydrogen 3.096 N/A ASN 52.A ND2 GLU 9.A OE1 no hydrogen 3.516 N/A ASN 52.A ND2 THR 10.A OG1 no hydrogen 2.870 N/A PHE 53.A N ILE 50.A O no hydrogen 3.457 N/A SER 57.A N LYS 72.A O no hydrogen 3.442 N/A LEU 58.A N VAL 45.A O no hydrogen 2.848 N/A ILE 59.A N CYS 70.A O no hydrogen 2.777 N/A PHE 60.A N ILE 43.A O no hydrogen 2.873 N/A GLY 61.A N CYS 68.A O no hydrogen 3.010 N/A SER 62.A N GLU 40.A O no hydrogen 3.065 N/A SER 62.A OG GLU 40.A O no hydrogen 3.443 N/A VAL 63.A N VAL 66.A O no hydrogen 2.939 N/A VAL 66.A N VAL 63.A O no hydrogen 2.758 N/A SER 67.A OG ARG 21.A O no hydrogen 3.079 N/A CYS 68.A N GLY 61.A O no hydrogen 2.632 N/A CYS 68.A SG VAL 66.A O no hydrogen 3.291 N/A VAL 69.A N LEU 24.A O no hydrogen 3.006 N/A CYS 70.A N ILE 59.A O no hydrogen 2.678 N/A MET 71.A N ILE 26.A O no hydrogen 2.603 N/A LYS 72.A N SER 57.A O no hydrogen 2.875 N/A ARG 74.A NE GLU 214.A OE1 no hydrogen 3.281 N/A ARG 74.A NE GLU 214.A OE2 no hydrogen 2.850 N/A ARG 74.A NH1 THR 104.A O no hydrogen 3.012 N/A ARG 74.A NH2 THR 104.A O no hydrogen 3.185 N/A ARG 74.A NH2 GLU 214.A OE2 no hydrogen 3.161 N/A HIS 76.A N GLU 79.A OE2 no hydrogen 2.566 N/A HIS 76.A ND1 GLU 79.A OE2 no hydrogen 3.174 N/A GLU 79.A N HIS 76.A O no hydrogen 3.009 N/A GLY 80.A N LEU 77.A O no hydrogen 3.052 N/A ARG 85.A N THR 82.A OG1 no hydrogen 2.982 N/A ARG 85.A NH1 ASN 52.A O no hydrogen 3.111 N/A ARG 85.A NH2 ASN 52.A O no hydrogen 2.526 N/A ALA 86.A N THR 82.A O no hydrogen 2.898 N/A THR 87.A N ALA 83.A O no hydrogen 3.161 N/A THR 87.A N ALA 84.A O no hydrogen 3.212 N/A THR 87.A OG1 ALA 83.A O no hydrogen 2.849 N/A THR 87.A OG1 ALA 84.A O no hydrogen 3.159 N/A PHE 88.A N ARG 85.A O no hydrogen 3.026 N/A MET 90.A N THR 87.A O no hydrogen 3.192 N/A ARG 91.A NH2 PRO 136.A O no hydrogen 2.735 N/A VAL 92.A N PHE 88.A O no hydrogen 2.941 N/A PHE 93.A N PRO 89.A O no hydrogen 2.758 N/A LYS 94.A N MET 90.A O no hydrogen 3.111 N/A LYS 94.A NZ TYR 4.A OH no hydrogen 2.629 N/A ALA 95.A N ARG 91.A O no hydrogen 2.998 N/A LEU 96.A N VAL 92.A O no hydrogen 2.867 N/A LEU 96.A N PHE 93.A O no hydrogen 3.097 N/A GLY 97.A N LYS 94.A O no hydrogen 2.850 N/A VAL 98.A N PHE 93.A O no hydrogen 3.132 N/A LYS 99.A N VAL 23.A O no hydrogen 2.789 N/A ILE 100.A N VAL 23.A O no hydrogen 3.446 N/A VAL 101.A N ARG 224.A O no hydrogen 2.759 N/A VAL 102.A N GLY 25.A O no hydrogen 2.766 N/A LEU 103.A N LEU 226.A O no hydrogen 2.712 N/A THR 104.A N VAL 27.A O no hydrogen 3.096 N/A THR 104.A OG1 VAL 27.A O no hydrogen 3.192 N/A ASN 105.A N VAL 228.A O no hydrogen 3.330 N/A ASN 105.A ND2 THR 211.A OG1 no hydrogen 2.779 N/A ALA 107.A N LEU 230.A O no hydrogen 2.840 N/A GLY 108.A N VAL 207.A O no hydrogen 3.012 N/A GLY 109.A N ASN 233.A O no hydrogen 2.773 N/A LEU 110.A N ASP 205.A O no hydrogen 2.786 N/A ASN 111.A N ASP 205.A O no hydrogen 3.031 N/A ASN 111.A ND2 ASP 205.A OD1 no hydrogen 2.882 N/A SER 113.A N ASN 111.A OD1 no hydrogen 3.045 N/A SER 113.A OG ASN 111.A OD1 no hydrogen 2.987 N/A TYR 114.A N ASN 111.A O no hydrogen 2.985 N/A ARG 115.A N ASP 118.A OD2 no hydrogen 2.778 N/A GLY 117.A N ILE 231.A O no hydrogen 2.769 N/A ASP 118.A N ARG 115.A O no hydrogen 2.978 N/A PHE 119.A N ALA 176.A O no hydrogen 2.782 N/A MET 120.A N SER 229.A O no hydrogen 2.698 N/A VAL 121.A N HIS 178.A O no hydrogen 2.722 N/A VAL 122.A N ALA 227.A O no hydrogen 2.786 N/A ARG 123.A N GLY 180.A O no hydrogen 2.928 N/A HIS 125.A N ASP 124.A OD1 no hydrogen 2.728 N/A HIS 125.A ND1 TYR 156.A OH no hydrogen 2.938 N/A ILE 126.A N TYR 182.A O no hydrogen 2.901 N/A LEU 128.A N CYS 184.A O no hydrogen 3.205 N/A LEU 131.A N LEU 128.A O no hydrogen 2.993 N/A ALA 132.A N PRO 129.A O no hydrogen 3.201 N/A ALA 134.A N PRO 129.A O no hydrogen 3.009 N/A ASN 135.A ND2 GLY 130.A O no hydrogen 3.213 N/A LEU 137.A N ASN 135.A OD1 no hydrogen 2.746 N/A THR 138.A N ASN 135.A O no hydrogen 3.099 N/A THR 138.A OG1 ASN 135.A O no hydrogen 3.216 N/A ASN 141.A ND2 GLY 146.A O no hydrogen 3.006 N/A THR 144.A N ASP 142.A OD1 no hydrogen 3.022 N/A GLU 145.A N ASP 142.A O no hydrogen 2.732 N/A GLY 146.A N ASP 142.A O no hydrogen 3.263 N/A ARG 148.A NE ARG 148.A O no hydrogen 3.000 N/A ARG 148.A NH1 GLY 139.A O no hydrogen 2.917 N/A ARG 148.A NH2 GLY 139.A O no hydrogen 2.985 N/A TYR 156.A OH HIS 125.A ND1 no hydrogen 2.938 N/A ASP 157.A N CYS 225.A O no hydrogen 3.165 N/A LEU 160.A N ASP 157.A OD2 no hydrogen 2.784 N/A ARG 161.A N ASP 157.A O no hydrogen 3.027 N/A ARG 161.A NE GLU 179.A OE2 no hydrogen 2.792 N/A ARG 161.A NH1 TYR 156.A O no hydrogen 3.165 N/A ARG 161.A NH2 GLU 179.A OE2 no hydrogen 2.946 N/A LYS 162.A N LYS 158.A O no hydrogen 3.104 N/A TYR 163.A N THR 159.A O no hydrogen 3.021 N/A TYR 163.A OH GLU 263.A OE2 no hydrogen 3.014 N/A ALA 164.A N LEU 160.A O no hydrogen 2.979 N/A ILE 165.A N ARG 161.A O no hydrogen 2.846 N/A SER 166.A N LYS 162.A O no hydrogen 2.989 N/A SER 166.A OG LYS 162.A O no hydrogen 3.382 N/A SER 166.A OG TYR 163.A O no hydrogen 3.137 N/A ALA 167.A N TYR 163.A O no hydrogen 2.837 N/A ALA 168.A N ALA 164.A O no hydrogen 3.001 N/A ARG 169.A N ILE 165.A O no hydrogen 2.998 N/A GLU 170.A N SER 166.A O no hydrogen 2.819 N/A LEU 171.A N ALA 167.A O no hydrogen 2.966 N/A LEU 171.A N ALA 168.A O no hydrogen 3.024 N/A GLY 172.A N ARG 169.A O no hydrogen 2.700 N/A MET 173.A N ALA 168.A O no hydrogen 2.887 N/A ALA 176.A N MET 173.A O no hydrogen 2.926 N/A THR 177.A OG1 MET 173.A O no hydrogen 2.801 N/A HIS 178.A N PHE 119.A O no hydrogen 2.734 N/A HIS 178.A NE2 ASP 118.A OD2 no hydrogen 2.746 N/A GLY 180.A N VAL 121.A O no hydrogen 2.962 N/A VAL 181.A N ASP 205.A OD2 no hydrogen 2.674 N/A TYR 182.A N ASP 124.A O no hydrogen 2.876 N/A TYR 182.A OH SER 210.A O no hydrogen 3.268 N/A CYS 183.A N ALA 206.A O no hydrogen 2.841 N/A CYS 183.A SG ILE 126.A O no hydrogen 3.877 N/A CYS 184.A N ILE 126.A O no hydrogen 2.717 N/A CYS 184.A SG ASN 127.A OD1 no hydrogen 3.398 N/A CYS 184.A SG VAL 185.A O no hydrogen 3.834 N/A CYS 184.A SG SER 210.A O no hydrogen 3.465 N/A VAL 185.A N GLY 208.A O no hydrogen 3.076 N/A ASN 186.A ND2 GLY 187.A O no hydrogen 2.868 N/A THR 192.A N GLU 195.A OE1 no hydrogen 3.046 N/A GLU 195.A N THR 192.A OG1 no hydrogen 3.056 N/A CYS 196.A N THR 192.A O no hydrogen 2.846 N/A LYS 197.A N PRO 193.A O no hydrogen 2.943 N/A ILE 198.A N ALA 194.A O no hydrogen 3.391 N/A LEU 199.A N GLU 195.A O no hydrogen 2.964 N/A ARG 200.A N CYS 196.A O no hydrogen 2.979 N/A ARG 200.A NH1 SER 237.A O no hydrogen 2.644 N/A ARG 200.A NH2 ALA 236.A O no hydrogen 2.658 N/A LEU 201.A N LYS 197.A O no hydrogen 2.841 N/A MET 202.A N ILE 198.A O no hydrogen 2.903 N/A MET 202.A N LEU 199.A O no hydrogen 3.284 N/A GLY 203.A N ARG 200.A O no hydrogen 2.918 N/A SER 204.A N LEU 199.A O no hydrogen 3.176 N/A SER 204.A OG LEU 199.A O no hydrogen 2.581 N/A ASP 205.A N VAL 181.A O no hydrogen 2.968 N/A ALA 206.A N VAL 181.A O no hydrogen 3.248 N/A VAL 207.A N GLY 108.A O no hydrogen 2.867 N/A GLY 208.A N CYS 183.A O no hydrogen 3.030 N/A SER 210.A N TYR 182.A OH no hydrogen 3.196 N/A SER 210.A OG THR 211.A OG1 no hydrogen 3.092 N/A THR 211.A N GLU 214.A OE1 no hydrogen 2.684 N/A THR 211.A OG1 SER 210.A OG no hydrogen 3.092 N/A ALA 212.A N SER 210.A O no hydrogen 2.722 N/A THR 215.A N THR 211.A O no hydrogen 2.927 N/A THR 215.A OG1 TYR 156.A OH no hydrogen 2.803 N/A THR 215.A OG1 ALA 212.A O no hydrogen 3.202 N/A ILE 216.A N ALA 212.A O no hydrogen 2.998 N/A VAL 217.A N PRO 213.A O no hydrogen 3.196 N/A ALA 218.A N GLU 214.A O no hydrogen 2.920 N/A LYS 219.A N THR 215.A O no hydrogen 2.880 N/A LYS 219.A NZ SER 154.A O no hydrogen 3.414 N/A HIS 220.A N ILE 216.A O no hydrogen 3.099 N/A HIS 220.A NE2 GLU 147.A O no hydrogen 2.860 N/A GLY 221.A N VAL 217.A O no hydrogen 2.950 N/A GLY 222.A N LYS 219.A O no hydrogen 3.077 N/A MET 223.A N ALA 218.A O no hydrogen 3.000 N/A ARG 224.A N LYS 99.A O no hydrogen 2.946 N/A ARG 224.A NE ASP 157.A OD1 no hydrogen 3.163 N/A ARG 224.A NH1 GLU 263.A OE1 no hydrogen 2.993 N/A ARG 224.A NH2 ASP 157.A OD2 no hydrogen 3.092 N/A ARG 224.A NH2 GLU 263.A OE2 no hydrogen 3.172 N/A LEU 226.A N VAL 101.A O no hydrogen 3.035 N/A VAL 228.A N LEU 103.A O no hydrogen 2.906 N/A SER 229.A N MET 120.A O no hydrogen 2.817 N/A SER 229.A OG ASN 105.A OD1 no hydrogen 2.505 N/A LEU 230.A N ASN 105.A O no hydrogen 2.757 N/A ILE 231.A N ASP 118.A O no hydrogen 2.813 N/A SER 232.A N ALA 107.A O no hydrogen 3.036 N/A SER 232.A OG ALA 107.A O no hydrogen 3.197 N/A SER 232.A OG ASN 233.A OD1 no hydrogen 3.418 N/A ILE 235.A N GLY 109.A O no hydrogen 2.888 N/A ALA 236.A N GLU 240.A O no hydrogen 3.321 N/A CYS 239.A N ALA 236.A O no hydrogen 2.843 N/A GLU 244.A N ALA 241.A O no hydrogen 3.162 N/A ALA 245.A N ALA 241.A O no hydrogen 3.181 N/A SER 246.A N GLY 242.A O no hydrogen 2.879 N/A ALA 247.A N GLU 243.A O no hydrogen 3.024 N/A ARG 248.A N GLU 244.A O no hydrogen 2.949 N/A MET 249.A N ALA 245.A O no hydrogen 2.860 N/A THR 250.A N SER 246.A O no hydrogen 2.952 N/A THR 250.A OG1 SER 246.A O no hydrogen 2.812 N/A ALA 251.A N ALA 247.A O no hydrogen 2.990 N/A LEU 252.A N ARG 248.A O no hydrogen 2.950 N/A VAL 253.A N MET 249.A O no hydrogen 2.871 N/A LYS 254.A N THR 250.A O no hydrogen 3.044 N/A LEU 255.A N ALA 251.A O no hydrogen 2.954 N/A VAL 256.A N LEU 252.A O no hydrogen 2.960 N/A ILE 257.A N VAL 253.A O no hydrogen 2.857 N/A GLU 258.A N LYS 254.A O no hydrogen 2.947 N/A LYS 259.A N LEU 255.A O no hydrogen 3.135 N/A LYS 259.A NZ GLU 170.A OE1 no hydrogen 2.815 N/A LYS 259.A NZ GLU 170.A OE2 no hydrogen 2.669 N/A ILE 260.A N VAL 256.A O no hydrogen 3.049 N/A ARG 261.A N ILE 257.A O no hydrogen 3.083 N/A GLU 263.A N ILE 260.A O no hydrogen 3.150 N/A