Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5khw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ILE 71.A O no hydrogen 3.018 N/A GLU 5.A N TYR 28.A OH no hydrogen 3.092 N/A PHE 8.A N GLU 5.A O no hydrogen 3.031 N/A LEU 9.A N LYS 6.A O no hydrogen 3.295 N/A LYS 10.A N ARG 27.A O no hydrogen 2.912 N/A LYS 10.A NZ ARG 7.A O no hydrogen 3.134 N/A ARG 11.A NE ASP 14.A OD1 no hydrogen 3.435 N/A ARG 11.A NE GLU 24.A OE2 no hydrogen 3.246 N/A ARG 11.A NH2 ASP 14.A OD1 no hydrogen 3.258 N/A ILE 12.A N LEU 25.A O no hydrogen 2.765 N/A LEU 15.A N VAL 23.A O no hydrogen 2.840 N/A GLY 16.A N VAL 23.A O no hydrogen 3.062 N/A GLY 18.A N GLY 21.A O no hydrogen 2.897 N/A LYS 22.A N SER 43.A O no hydrogen 3.038 N/A LYS 22.A NZ GLU 24.A OE2 no hydrogen 2.800 N/A VAL 23.A N GLY 16.A O no hydrogen 2.760 N/A GLU 24.A N VAL 41.A O no hydrogen 2.804 N/A LEU 25.A N ARG 13.A O no hydrogen 2.811 N/A CYS 26.A N VAL 39.A O no hydrogen 3.073 N/A ARG 27.A N LYS 10.A O no hydrogen 2.933 N/A ARG 27.A NH1 GLY 36.A O no hydrogen 2.834 N/A TYR 28.A N GLU 37.A O no hydrogen 3.071 N/A ASP 29.A N PHE 8.A O no hydrogen 2.762 N/A ASN 34.A N ASP 29.A OD2 no hydrogen 2.815 N/A THR 35.A N ASP 33.A OD1 no hydrogen 3.237 N/A THR 35.A OG1 ASP 33.A OD1 no hydrogen 2.709 N/A GLY 36.A N ASP 29.A OD1 no hydrogen 3.122 N/A VAL 39.A N CYS 26.A O no hydrogen 2.759 N/A ALA 40.A N MET 81.A O no hydrogen 3.043 N/A VAL 41.A N GLU 24.A O no hydrogen 2.780 N/A LYS 42.A N LEU 79.A O no hydrogen 2.785 N/A LYS 42.A NZ GLU 53.A OE1 no hydrogen 3.387 N/A LYS 42.A NZ GLU 53.A OE2 no hydrogen 2.811 N/A SER 43.A N LYS 22.A O no hydrogen 2.869 N/A SER 43.A OG LYS 22.A O no hydrogen 3.510 N/A LYS 45.A N PHE 20.A O no hydrogen 2.772 N/A LEU 50.A N HIS 46.A O no hydrogen 3.091 N/A LYS 51.A N ILE 47.A O no hydrogen 3.451 N/A LYS 51.A NZ ASN 75.A O no hydrogen 3.535 N/A LYS 52.A N ALA 48.A O no hydrogen 3.138 N/A GLU 53.A N ASP 49.A O no hydrogen 3.102 N/A ILE 54.A N LEU 50.A O no hydrogen 2.801 N/A GLU 55.A N LYS 51.A O no hydrogen 2.904 N/A ILE 56.A N LYS 52.A O no hydrogen 3.067 N/A LEU 57.A N GLU 53.A O no hydrogen 3.113 N/A ARG 58.A N ILE 54.A O no hydrogen 2.906 N/A ASN 59.A N ILE 56.A O no hydrogen 2.927 N/A ASN 59.A ND2 GLU 55.A O no hydrogen 2.945 N/A LEU 60.A N LEU 57.A O no hydrogen 3.091 N/A TYR 61.A N TYR 118.A OH no hydrogen 2.811 N/A ASN 64.A N HIS 62.A ND1 no hydrogen 3.065 N/A ILE 65.A N HIS 62.A O no hydrogen 3.073 N/A VAL 66.A N ILE 144.A O no hydrogen 2.947 N/A LYS 67.A N GLU 82.A OE2 no hydrogen 2.812 N/A LYS 67.A NZ TYR 61.A OH no hydrogen 3.336 N/A LYS 69.A N ILE 80.A O no hydrogen 2.978 N/A GLY 70.A N ILE 80.A O no hydrogen 3.225 N/A ILE 71.A N THR 2.A O no hydrogen 2.883 N/A CYS 72.A N LYS 78.A O no hydrogen 2.889 N/A CYS 72.A SG PHE 4.A O no hydrogen 3.495 N/A GLU 74.A N GLY 76.A O no hydrogen 2.959 N/A LYS 78.A N CYS 72.A O no hydrogen 2.762 N/A LEU 79.A N LYS 42.A O no hydrogen 2.913 N/A ILE 80.A N GLY 70.A O no hydrogen 2.894 N/A MET 81.A N ALA 40.A O no hydrogen 2.988 N/A GLU 82.A N LYS 67.A O no hydrogen 2.813 N/A GLY 87.A N LEU 84.A O no hydrogen 2.970 N/A SER 88.A OG GLU 91.A OE1 no hydrogen 2.725 N/A LEU 89.A N VAL 134.A O no hydrogen 2.739 N/A LYS 90.A NZ CYS 201.A O no hydrogen 3.278 N/A GLU 91.A N SER 88.A O no hydrogen 3.157 N/A TYR 92.A N SER 88.A O no hydrogen 2.964 N/A LEU 93.A N LEU 89.A O no hydrogen 2.945 N/A LYS 95.A N TYR 92.A O no hydrogen 3.206 N/A ASN 96.A N LEU 93.A O no hydrogen 3.041 N/A LYS 99.A N ASN 96.A O no hydrogen 3.147 N/A LYS 99.A NZ TYR 92.A OH no hydrogen 3.115 N/A ILE 100.A N ASN 96.A O no hydrogen 3.042 N/A GLN 104.A N ASN 101.A OD1 no hydrogen 3.266 N/A GLN 104.A NE2 HIS 140.A ND1 no hydrogen 3.060 N/A GLN 105.A N ASN 101.A O no hydrogen 2.981 N/A GLN 105.A NE2 LEU 197.A O no hydrogen 2.761 N/A LEU 106.A N LEU 102.A O no hydrogen 2.805 N/A LYS 107.A N LYS 103.A O no hydrogen 2.970 N/A TYR 108.A N GLN 104.A O no hydrogen 3.087 N/A TYR 108.A OH SER 138.A O no hydrogen 3.263 N/A TYR 108.A OH GLU 139.A O no hydrogen 2.765 N/A ALA 109.A N GLN 105.A O no hydrogen 2.934 N/A VAL 110.A N LEU 106.A O no hydrogen 3.023 N/A GLN 111.A N LYS 107.A O no hydrogen 3.250 N/A GLN 111.A NE2 HIS 140.A O no hydrogen 2.725 N/A ILE 112.A N TYR 108.A O no hydrogen 2.824 N/A CYS 113.A N ALA 109.A O no hydrogen 3.024 N/A CYS 113.A SG ALA 109.A O no hydrogen 3.281 N/A LYS 114.A N VAL 110.A O no hydrogen 2.863 N/A GLY 115.A N GLN 111.A O no hydrogen 3.188 N/A MET 116.A N ILE 112.A O no hydrogen 2.977 N/A ASP 117.A N CYS 113.A O no hydrogen 2.924 N/A TYR 118.A N LYS 114.A O no hydrogen 3.098 N/A LEU 119.A N GLY 115.A O no hydrogen 3.028 N/A GLY 120.A N MET 116.A O no hydrogen 2.906 N/A SER 121.A N ASP 117.A O no hydrogen 3.119 N/A SER 121.A OG TYR 118.A O no hydrogen 2.799 N/A ARG 122.A N LEU 119.A O no hydrogen 3.140 N/A GLN 123.A N GLY 120.A O no hydrogen 2.919 N/A TYR 124.A N LEU 119.A O no hydrogen 3.138 N/A VAL 125.A N LYS 151.A O no hydrogen 2.817 N/A HIS 126.A N ASP 186.A OD2 no hydrogen 2.766 N/A ARG 127.A N ASP 186.A OD1 no hydrogen 3.307 N/A ARG 127.A NH1 LEU 149.A O no hydrogen 2.785 N/A ALA 131.A N GLU 196.A OE1 no hydrogen 3.071 N/A ARG 132.A NH2 ASP 128.A OD1 no hydrogen 2.988 N/A ASN 133.A N ALA 130.A O no hydrogen 3.028 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.657 N/A VAL 134.A N ALA 131.A O no hydrogen 3.049 N/A LEU 135.A N LYS 143.A O no hydrogen 2.774 N/A VAL 136.A N GLY 87.A O no hydrogen 2.753 N/A GLU 137.A N GLN 141.A O no hydrogen 2.772 N/A SER 138.A N GLN 141.A O no hydrogen 3.125 N/A SER 138.A OG GLU 137.A OE1 no hydrogen 2.789 N/A GLN 141.A NE2 GLU 63.A O no hydrogen 3.681 N/A VAL 142.A N GLN 111.A OE1 no hydrogen 3.027 N/A LYS 143.A N LEU 135.A O no hydrogen 2.767 N/A LYS 143.A NZ GLU 63.A O no hydrogen 3.347 N/A LYS 143.A NZ GLU 82.A OE2 no hydrogen 2.857 N/A ILE 144.A N ASN 64.A O no hydrogen 2.825 N/A GLY 145.A N ASN 133.A O no hydrogen 2.739 N/A GLY 148.A N ASP 146.A OD1 no hydrogen 3.306 N/A THR 150.A OG1 HIS 126.A O no hydrogen 2.789 N/A LYS 151.A N VAL 125.A O no hydrogen 2.887 N/A ILE 153.A N GLN 123.A O no hydrogen 2.768 N/A THR 155.A OG1 GLN 123.A OE1 no hydrogen 3.315 N/A LYS 157.A N GLU 154.A O no hydrogen 3.088 N/A VAL 160.A N SER 179.A O no hydrogen 2.926 N/A LYS 161.A NZ THR 159.A O no hydrogen 2.986 N/A SER 166.A OG TYR 171.A OH no hydrogen 3.380 N/A VAL 168.A N SER 166.A O no hydrogen 2.805 N/A TRP 170.A N PRO 167.A O no hydrogen 2.968 N/A TRP 170.A NE1 GLU 196.A OE1 no hydrogen 2.799 N/A TYR 171.A N VAL 168.A O no hydrogen 3.264 N/A TYR 171.A OH ARG 127.A O no hydrogen 2.732 N/A TYR 171.A OH SER 166.A OG no hydrogen 3.380 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.766 N/A CYS 175.A N ALA 172.A O no hydrogen 2.901 N/A CYS 175.A SG LYS 180.A O no hydrogen 3.413 N/A CYS 175.A SG SER 185.A OG no hydrogen 3.573 N/A LEU 176.A N ALA 172.A O no hydrogen 3.377 N/A MET 177.A N PRO 173.A O no hydrogen 2.775 N/A GLN 178.A N GLU 174.A O no hydrogen 2.879 N/A LYS 180.A N GLU 174.A O no hydrogen 3.309 N/A TYR 182.A N SER 185.A OG no hydrogen 2.998 N/A SER 185.A N TYR 182.A O no hydrogen 2.853 N/A SER 185.A OG GLU 174.A OE2 no hydrogen 2.642 N/A ASP 186.A N ILE 183.A O no hydrogen 2.853 N/A VAL 187.A N ILE 183.A O no hydrogen 3.156 N/A TRP 188.A N ALA 184.A O no hydrogen 3.110 N/A SER 189.A N SER 185.A O no hydrogen 3.293 N/A SER 189.A OG TRP 170.A O no hydrogen 2.712 N/A SER 189.A OG SER 185.A O no hydrogen 3.195 N/A PHE 190.A N ASP 186.A O no hydrogen 2.936 N/A GLY 191.A N VAL 187.A O no hydrogen 3.098 N/A VAL 192.A N TRP 188.A O no hydrogen 3.260 N/A THR 193.A N SER 189.A O no hydrogen 2.851 N/A THR 193.A OG1 SER 189.A O no hydrogen 2.739 N/A LEU 194.A N PHE 190.A O no hydrogen 2.733 N/A HIS 195.A N GLY 191.A O no hydrogen 3.203 N/A HIS 195.A NE2 PRO 238.A O no hydrogen 2.755 N/A GLU 196.A N VAL 192.A O no hydrogen 3.158 N/A LEU 197.A N THR 193.A O no hydrogen 2.820 N/A LEU 198.A N LEU 194.A O no hydrogen 2.832 N/A THR 199.A N HIS 195.A O no hydrogen 2.849 N/A THR 199.A N GLU 196.A O no hydrogen 3.165 N/A THR 199.A OG1 HIS 195.A O no hydrogen 3.161 N/A THR 199.A OG1 GLU 196.A O no hydrogen 3.228 N/A TYR 200.A N LEU 197.A O no hydrogen 3.371 N/A TYR 200.A OH ILE 100.A O no hydrogen 2.761 N/A CYS 201.A N GLU 196.A O no hydrogen 2.830 N/A CYS 201.A SG LEU 89.A O no hydrogen 3.662 N/A CYS 201.A SG GLU 196.A O no hydrogen 3.904 N/A ASP 202.A N THR 199.A O no hydrogen 3.258 N/A SER 203.A OG ASP 204.A OD1 no hydrogen 3.537 N/A SER 205.A N ASP 202.A O no hydrogen 3.350 N/A SER 205.A OG ASP 202.A OD2 no hydrogen 3.407 N/A SER 206.A N SER 203.A O no hydrogen 3.223 N/A SER 206.A OG SER 203.A O no hydrogen 2.866 N/A LEU 210.A N SER 206.A O no hydrogen 2.962 N/A PHE 211.A N PRO 207.A O no hydrogen 2.948 N/A LEU 212.A N MET 208.A O no hydrogen 2.808 N/A LYS 213.A N ALA 209.A O no hydrogen 3.254 N/A MET 214.A N LEU 210.A O no hydrogen 3.106 N/A MET 214.A N PHE 211.A O no hydrogen 3.095 N/A ILE 215.A N PHE 211.A O no hydrogen 2.983 N/A GLY 216.A N LEU 212.A O no hydrogen 3.121 N/A THR 218.A OG1 HIS 219.A O no hydrogen 3.232 N/A MET 222.A N HIS 219.A O no hydrogen 3.074 N/A THR 223.A N GLY 220.A O no hydrogen 3.410 N/A THR 223.A OG1 HIS 219.A O no hydrogen 3.222 N/A THR 223.A OG1 GLY 220.A O no hydrogen 3.059 N/A THR 225.A OG1 MET 222.A O no hydrogen 3.451 N/A ARG 226.A N MET 222.A O no hydrogen 3.010 N/A ARG 226.A NE THR 218.A OG1 no hydrogen 3.190 N/A ARG 226.A NH2 THR 218.A OG1 no hydrogen 3.304 N/A LEU 227.A N THR 223.A O no hydrogen 2.959 N/A VAL 228.A N VAL 224.A O no hydrogen 2.770 N/A ASN 229.A N THR 225.A O no hydrogen 3.086 N/A THR 230.A N ARG 226.A O no hydrogen 3.197 N/A THR 230.A OG1 ARG 226.A O no hydrogen 3.108 N/A LEU 231.A N LEU 227.A O no hydrogen 3.094 N/A LYS 232.A N VAL 228.A O no hydrogen 2.934 N/A GLU 233.A N ASN 229.A O no hydrogen 3.169 N/A GLU 233.A N THR 230.A O no hydrogen 3.263 N/A GLY 234.A N LEU 231.A O no hydrogen 3.074 N/A LYS 235.A N THR 230.A O no hydrogen 3.350 N/A ARG 236.A NE TRP 255.A O no hydrogen 2.904 N/A ARG 236.A NH1 LEU 231.A O no hydrogen 2.947 N/A ARG 236.A NH1 LYS 235.A O no hydrogen 3.161 N/A ARG 236.A NH2 TRP 255.A O no hydrogen 2.814 N/A CYS 239.A SG PRO 240.A O no hydrogen 3.684 N/A CYS 239.A SG CYS 243.A O no hydrogen 3.594 N/A CYS 243.A N PRO 240.A O no hydrogen 3.162 N/A CYS 243.A SG PRO 244.A O no hydrogen 3.600 N/A GLU 246.A N GLU 246.A OE1 no hydrogen 3.221 N/A VAL 247.A N PRO 244.A O no hydrogen 2.922 N/A TYR 248.A N PRO 244.A O no hydrogen 3.105 N/A GLN 249.A N ASP 245.A O no hydrogen 2.798 N/A GLN 249.A NE2 ASP 245.A OD1 no hydrogen 2.796 N/A MET 251.A N VAL 247.A O no hydrogen 3.165 N/A ARG 252.A N TYR 248.A O no hydrogen 2.840 N/A ARG 252.A NE GLN 249.A OE1 no hydrogen 2.821 N/A LYS 253.A N GLN 249.A O no hydrogen 2.975 N/A CYS 254.A N MET 251.A O no hydrogen 3.008 N/A CYS 254.A SG LEU 250.A O no hydrogen 3.398 N/A TRP 255.A N ARG 252.A O no hydrogen 3.198 N/A ASN 261.A N GLN 258.A O no hydrogen 3.222 N/A ARG 262.A N PRO 259.A O no hydrogen 3.418 N/A ARG 262.A NE GLU 256.A O no hydrogen 2.740 N/A ARG 262.A NH1 GLU 174.A OE2 no hydrogen 3.017 N/A ARG 262.A NH1 ALA 184.A O no hydrogen 2.906 N/A ARG 262.A NH2 GLU 174.A OE1 no hydrogen 3.031 N/A ARG 262.A NH2 GLU 256.A O no hydrogen 3.300 N/A ARG 262.A NH2 PHE 257.A O no hydrogen 2.847 N/A THR 263.A N LYS 253.A O no hydrogen 3.057 N/A THR 263.A OG1 SER 264.A O no hydrogen 3.476 N/A THR 263.A OG1 ASN 267.A OD1 no hydrogen 2.745 N/A GLN 266.A NE2 GLU 270.A OE2 no hydrogen 3.423 N/A ASN 267.A N SER 264.A OG no hydrogen 2.867 N/A LEU 268.A N SER 264.A O no hydrogen 3.113 N/A ILE 269.A N PHE 265.A O no hydrogen 2.975 N/A GLU 270.A N GLN 266.A O no hydrogen 3.103 N/A GLY 271.A N ASN 267.A O no hydrogen 2.916 N/A PHE 272.A N LEU 268.A O no hydrogen 2.925 N/A GLU 273.A N ILE 269.A O no hydrogen 2.881 N/A ALA 274.A N GLU 270.A O no hydrogen 3.288 N/A LEU 275.A N PHE 272.A O no hydrogen 3.169 N/A LEU 276.A N GLU 273.A O no hydrogen 3.053 N/A