Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N TYR 44.A OH no hydrogen 3.211 N/A LYS 4.A N PHE 75.A O no hydrogen 3.052 N/A THR 5.A OG1 THR 74.A OG1 no hydrogen 2.790 N/A PHE 6.A N VAL 73.A O no hydrogen 2.634 N/A GLN 8.A N LEU 71.A O no hydrogen 3.053 N/A GLN 8.A NE2 LEU 7.A O no hydrogen 3.181 N/A ILE 10.A N LYS 69.A O no hydrogen 3.045 N/A HIS 12.A N ASP 68.A OD1 no hydrogen 2.991 N/A HIS 12.A ND1 THR 63.A OG1 no hydrogen 2.878 N/A ASN 14.A N SER 11.A O no hydrogen 3.089 N/A ILE 16.A N ASN 14.A OD1 no hydrogen 3.001 N/A ARG 18.A N ASN 14.A O no hydrogen 3.033 N/A ASP 19.A N TYR 15.A O no hydrogen 3.075 N/A ASP 19.A N ILE 16.A O no hydrogen 3.126 N/A HIS 20.A N VAL 17.A O no hydrogen 3.351 N/A ARG 21.A N GLU 149.A O no hydrogen 3.189 N/A ARG 21.A NE ARG 18.A O no hydrogen 2.942 N/A ARG 21.A NH2 ARG 18.A O no hydrogen 3.282 N/A VAL 22.A N ILE 25.A O no hydrogen 2.911 N/A HIS 23.A N HIS 147.A O no hydrogen 2.804 N/A ILE 25.A N VAL 22.A O no hydrogen 3.198 N/A ARG 26.A NH1 HIS 12.A O no hydrogen 2.750 N/A VAL 27.A N HIS 20.A O no hydrogen 3.360 N/A THR 32.A N PRO 29.A O no hydrogen 3.106 N/A LEU 33.A N GLY 30.A O no hydrogen 3.320 N/A ILE 34.A N VAL 31.A O no hydrogen 3.021 N/A ASP 35.A N THR 32.A O no hydrogen 3.114 N/A LEU 37.A N LEU 33.A O no hydrogen 3.095 N/A TYR 38.A N ILE 34.A O no hydrogen 3.280 N/A TYR 38.A OH ILE 50.A O no hydrogen 2.604 N/A ARG 39.A N ASP 35.A O no hydrogen 3.013 N/A ARG 39.A NH1 ASP 35.A OD2 no hydrogen 2.549 N/A ARG 39.A NH2 GLN 8.A OE1 no hydrogen 2.324 N/A LEU 40.A N MET 36.A O no hydrogen 3.043 N/A ALA 41.A N LEU 37.A O no hydrogen 2.814 N/A GLY 43.A N LEU 40.A O no hydrogen 2.887 N/A TYR 44.A N ALA 41.A O no hydrogen 2.760 N/A LEU 45.A N ALA 41.A O no hydrogen 3.035 N/A ARG 48.A NH2 LEU 45.A O no hydrogen 2.365 N/A GLU 51.A N TYR 110.A O no hydrogen 3.059 N/A LEU 52.A N PHE 214.A O no hydrogen 2.925 N/A ARG 53.A N GLN 108.A O no hydrogen 3.026 N/A ARG 53.A NE GLU 51.A OE2 no hydrogen 2.878 N/A ARG 53.A NH2 GLU 51.A OE2 no hydrogen 2.818 N/A GLN 54.A N ASP 212.A O no hydrogen 2.905 N/A ILE 55.A N ILE 211.A O no hydrogen 2.849 N/A ILE 56.A N GLU 106.A O no hydrogen 2.930 N/A LYS 58.A N ASN 104.A O no hydrogen 2.793 N/A LYS 58.A NZ GLU 103.A OE1 no hydrogen 3.451 N/A LYS 58.A NZ GLU 106.A OE1 no hydrogen 2.852 N/A THR 63.A N ARG 26.A O no hydrogen 3.041 N/A THR 63.A OG1 HIS 12.A ND1 no hydrogen 2.878 N/A SER 64.A N PHE 67.A O no hydrogen 3.161 N/A GLU 66.A N SER 64.A OG no hydrogen 3.029 N/A PHE 67.A N SER 64.A O no hydrogen 3.356 N/A ASP 68.A N ALA 91.A O no hydrogen 2.856 N/A LYS 69.A N ILE 10.A O no hydrogen 3.024 N/A LYS 69.A NZ VAL 62.A O no hydrogen 2.576 N/A HIS 70.A N GLU 89.A O no hydrogen 2.924 N/A LEU 71.A N GLN 8.A O no hydrogen 2.819 N/A TYR 72.A N THR 87.A O no hydrogen 2.805 N/A TYR 72.A OH GLU 89.A OE1 no hydrogen 2.850 N/A VAL 73.A N PHE 6.A O no hydrogen 2.762 N/A THR 74.A N GLU 85.A O no hydrogen 2.948 N/A THR 74.A OG1 THR 5.A OG1 no hydrogen 2.790 N/A PHE 75.A N LYS 4.A O no hydrogen 3.081 N/A THR 76.A N LYS 83.A O no hydrogen 2.813 N/A ALA 78.A N SER 81.A O no hydrogen 3.247 N/A SER 81.A OG ARG 79.A O no hydrogen 3.064 N/A TRP 82.A N LEU 109.A O no hydrogen 2.979 N/A LYS 83.A N THR 76.A O no hydrogen 2.749 N/A VAL 84.A N CYS 107.A O no hydrogen 3.048 N/A GLU 85.A N THR 74.A O no hydrogen 3.255 N/A ILE 86.A N MET 105.A O no hydrogen 2.852 N/A THR 87.A N TYR 72.A O no hydrogen 3.134 N/A SER 88.A N ASP 102.A O no hydrogen 3.051 N/A SER 88.A OG ASN 104.A OD1 no hydrogen 2.383 N/A GLU 89.A N HIS 70.A O no hydrogen 2.920 N/A ALA 91.A N ASP 68.A O no hydrogen 3.221 N/A LYS 92.A N THR 95.A O no hydrogen 2.943 N/A THR 95.A N LYS 92.A O no hydrogen 3.073 N/A LEU 97.A N LYS 90.A O no hydrogen 2.981 N/A GLY 98.A N GLU 89.A OE2 no hydrogen 2.644 N/A ASP 102.A N SER 88.A O no hydrogen 3.114 N/A ASN 104.A N ILE 86.A O no hydrogen 2.806 N/A ASN 104.A ND2 GLN 59.A O no hydrogen 2.761 N/A MET 105.A N ILE 86.A O no hydrogen 3.404 N/A GLU 106.A N ILE 56.A O no hydrogen 3.208 N/A CYS 107.A N VAL 84.A O no hydrogen 3.071 N/A GLN 108.A N ARG 53.A O no hydrogen 2.972 N/A LEU 109.A N TRP 82.A O no hydrogen 2.753 N/A TYR 110.A N GLU 51.A O no hydrogen 3.252 N/A GLN 112.A N PRO 49.A O no hydrogen 2.893 N/A ALA 125.A N ASN 122.A OD1 no hydrogen 2.970 N/A PHE 126.A N ASN 122.A O no hydrogen 3.020 N/A MET 127.A N ILE 123.A O no hydrogen 3.111 N/A LYS 128.A N GLU 124.A O no hydrogen 3.072 N/A LYS 128.A NZ GLU 124.A OE2 no hydrogen 2.987 N/A ASN 129.A N ALA 125.A O no hydrogen 3.112 N/A ASN 129.A ND2 ALA 125.A O no hydrogen 2.977 N/A ALA 130.A N MET 127.A O no hydrogen 3.340 N/A ARG 132.A N GLN 162.A O no hydrogen 3.014 N/A LYS 133.A NZ TYR 161.A OH no hydrogen 3.227 N/A TRP 134.A N VAL 160.A O no hydrogen 2.903 N/A GLY 141.A N ASP 138.A O no hydrogen 2.951 N/A ILE 142.A N ILE 139.A O no hydrogen 3.217 N/A ARG 144.A N TYR 140.A O no hydrogen 3.001 N/A ARG 144.A NH1 HIS 137.A O no hydrogen 2.957 N/A ARG 144.A NH2 HIS 137.A O no hydrogen 3.132 N/A ARG 145.A N GLY 141.A O no hydrogen 3.177 N/A SER 146.A N ILE 142.A O no hydrogen 3.189 N/A SER 146.A OG ILE 142.A O no hydrogen 3.473 N/A SER 146.A OG ALA 143.A O no hydrogen 3.483 N/A HIS 147.A N ARG 144.A O no hydrogen 3.102 N/A ILE 148.A N ALA 143.A O no hydrogen 2.700 N/A GLU 149.A N ARG 21.A O no hydrogen 2.793 N/A HIS 150.A NE2 ASP 193.A OD2 no hydrogen 2.692 N/A GLY 151.A N ASP 19.A O no hydrogen 2.805 N/A PHE 153.A N ASP 19.A OD2 no hydrogen 2.665 N/A LYS 155.A N GLY 151.A O no hydrogen 2.848 N/A LYS 155.A NZ HIS 137.A ND1 no hydrogen 3.077 N/A ASN 156.A N TYR 140.A OH no hydrogen 2.998 N/A GLU 157.A N THR 173.A O no hydrogen 2.884 N/A VAL 160.A N TRP 134.A O no hydrogen 2.826 N/A TYR 161.A N LEU 169.A O no hydrogen 2.797 N/A GLN 162.A N ARG 132.A O no hydrogen 2.670 N/A LEU 163.A N GLU 167.A O no hydrogen 2.988 N/A LYS 166.A N LEU 163.A O no hydrogen 3.060 N/A GLU 167.A N LEU 163.A O no hydrogen 3.274 N/A GLU 168.A N SER 228.A O no hydrogen 2.861 N/A LEU 169.A N TYR 161.A O no hydrogen 2.956 N/A MET 170.A N THR 226.A O no hydrogen 2.971 N/A GLU 171.A N ALA 159.A O no hydrogen 3.012 N/A LEU 172.A N ILE 224.A O no hydrogen 3.035 N/A THR 173.A N GLU 157.A O no hydrogen 2.857 N/A THR 173.A OG1 THR 223.A OG1 no hydrogen 2.799 N/A SER 175.A OG GLU 152.A O no hydrogen 2.819 N/A ALA 178.A N SER 175.A OG no hydrogen 3.256 N/A GLU 179.A N SER 175.A O no hydrogen 2.767 N/A GLY 180.A N ASP 176.A O no hydrogen 3.236 N/A GLY 180.A N LEU 177.A O no hydrogen 3.374 N/A PHE 181.A N ALA 178.A O no hydrogen 3.216 N/A ARG 182.A N GLU 179.A O no hydrogen 3.216 N/A ARG 182.A NE GLU 179.A OE1 no hydrogen 2.854 N/A ARG 182.A NE GLU 179.A OE2 no hydrogen 2.941 N/A ARG 182.A NH1 PHE 220.A O no hydrogen 2.895 N/A ARG 182.A NH2 GLU 179.A OE2 no hydrogen 3.204 N/A LYS 184.A N PHE 181.A O no hydrogen 2.420 N/A PHE 185.A N PHE 181.A O no hydrogen 3.180 N/A LYS 186.A N ASP 35.A OD1 no hydrogen 2.893 N/A LYS 186.A NZ GLU 47.A OE2 no hydrogen 2.767 N/A ALA 187.A N ASP 35.A OD1 no hydrogen 2.998 N/A HIS 188.A NE2 ALA 178.A O no hydrogen 2.781 N/A ALA 190.A N HIS 188.A ND1 no hydrogen 3.223 N/A LEU 192.A N HIS 188.A O no hydrogen 3.021 N/A ASP 193.A N PRO 189.A O no hydrogen 2.837 N/A ALA 194.A N ALA 190.A O no hydrogen 3.193 N/A SER 195.A N PHE 191.A O no hydrogen 3.094 N/A SER 195.A OG PHE 191.A O no hydrogen 2.829 N/A SER 195.A OG THR 226.A OG1 no hydrogen 3.052 N/A THR 196.A N LEU 192.A O no hydrogen 3.280 N/A THR 196.A N ASP 193.A O no hydrogen 3.118 N/A THR 196.A OG1 ASP 193.A O no hydrogen 2.849 N/A LEU 197.A N ALA 194.A O no hydrogen 3.151 N/A ALA 198.A N SER 195.A O no hydrogen 3.086 N/A GLY 199.A N GLU 168.A OE1 no hydrogen 2.790 N/A SER 200.A N LEU 197.A O no hydrogen 3.270 N/A SER 200.A OG LEU 197.A O no hydrogen 2.685 N/A SER 201.A N GLU 168.A OE2 no hydrogen 3.018 N/A SER 201.A OG GLN 162.A OE1 no hydrogen 2.700 N/A SER 201.A OG GLU 168.A OE2 no hydrogen 2.791 N/A PHE 202.A N GLY 199.A O no hydrogen 3.010 N/A LEU 204.A N SER 201.A O no hydrogen 3.420 N/A TYR 206.A OH PRO 243.A O no hydrogen 2.256 N/A ILE 207.A N LYS 269.A O no hydrogen 2.819 N/A PHE 209.A N THR 267.A O no hydrogen 2.941 N/A MET 210.A N THR 267.A O no hydrogen 3.307 N/A ILE 211.A N ILE 55.A O no hydrogen 2.894 N/A ASP 212.A N GLU 264.A O no hydrogen 3.142 N/A ARG 213.A N GLU 264.A O no hydrogen 3.292 N/A ARG 213.A NE GLU 264.A OE2 no hydrogen 3.164 N/A ARG 213.A NH1 TYR 217.A OH no hydrogen 3.479 N/A ARG 213.A NH2 TYR 217.A OH no hydrogen 3.189 N/A PHE 214.A N LEU 52.A O no hydrogen 2.937 N/A CYS 215.A N GLU 262.A O no hydrogen 2.972 N/A CYS 215.A SG GLU 51.A OE1 no hydrogen 3.458 N/A MET 216.A N TYR 38.A OH no hydrogen 3.267 N/A TYR 217.A N LEU 260.A O no hydrogen 2.614 N/A TYR 217.A OH GLU 262.A OE1 no hydrogen 2.898 N/A GLN 218.A N LEU 260.A O no hydrogen 3.269 N/A THR 223.A OG1 THR 173.A OG1 no hydrogen 2.799 N/A ILE 224.A N LEU 172.A O no hydrogen 3.069 N/A TYR 225.A N TYR 253.A O no hydrogen 2.849 N/A TYR 225.A OH GLU 171.A OE2 no hydrogen 3.210 N/A THR 226.A N MET 170.A O no hydrogen 3.130 N/A THR 226.A OG1 SER 195.A OG no hydrogen 3.052 N/A TYR 227.A N THR 251.A O no hydrogen 2.732 N/A TYR 227.A OH GLU 167.A OE1 no hydrogen 2.819 N/A SER 228.A N GLU 168.A O no hydrogen 2.978 N/A LYS 230.A N LYS 166.A O no hydrogen 2.796 N/A SER 232.A N ALA 229.A O no hydrogen 3.201 N/A SER 232.A OG ALA 229.A O no hydrogen 3.129 N/A ARG 233.A N LYS 230.A O no hydrogen 2.923 N/A ARG 233.A NH1 ALA 229.A O no hydrogen 3.264 N/A ARG 233.A NH2 ALA 198.A O no hydrogen 3.567 N/A ARG 233.A NH2 SER 228.A OG no hydrogen 3.354 N/A THR 234.A N SER 247.A O no hydrogen 3.019 N/A THR 234.A OG1 SER 247.A OG no hydrogen 3.397 N/A SER 236.A N VAL 245.A O no hydrogen 3.430 N/A SER 236.A OG ASP 244.A OD1 no hydrogen 3.105 N/A SER 236.A OG VAL 245.A O no hydrogen 3.046 N/A VAL 238.A N GLU 235.A O no hydrogen 3.004 N/A SER 239.A N GLY 237.A O no hydrogen 2.856 N/A ASP 240.A N GLU 235.A OE2 no hydrogen 3.366 N/A GLU 242.A N ASP 240.A OD1 no hydrogen 2.866 N/A TYR 246.A N VAL 268.A O no hydrogen 3.314 N/A SER 247.A N THR 234.A O no hydrogen 2.959 N/A SER 247.A OG THR 234.A OG1 no hydrogen 3.397 N/A ALA 248.A N LEU 266.A O no hydrogen 3.171 N/A ASP 249.A N SER 232.A OG no hydrogen 3.374 N/A PHE 250.A N CYS 263.A O no hydrogen 3.057 N/A THR 251.A N TYR 227.A O no hydrogen 2.832 N/A ILE 252.A N ALA 261.A O no hydrogen 2.981 N/A TYR 253.A N TYR 225.A O no hydrogen 2.730 N/A TYR 253.A OH LYS 119.A O no hydrogen 2.671 N/A ASP 254.A N ASN 258.A O no hydrogen 3.036 N/A ARG 255.A NH2 TYR 225.A OH no hydrogen 3.369 N/A GLY 257.A N ASP 254.A O no hydrogen 3.099 N/A ASN 258.A N ASP 254.A OD1 no hydrogen 2.789 N/A ASN 258.A ND2 ASP 254.A OD2 no hydrogen 3.064 N/A LEU 260.A N ILE 252.A O no hydrogen 2.775 N/A ALA 261.A N ILE 252.A O no hydrogen 3.277 N/A GLU 262.A N CYS 215.A O no hydrogen 3.064 N/A CYS 263.A N PHE 250.A O no hydrogen 3.018 N/A GLU 264.A N ARG 213.A O no hydrogen 2.687 N/A LYS 265.A N ASP 249.A OD1 no hydrogen 2.418 N/A LYS 265.A NZ SER 247.A OG no hydrogen 2.978 N/A LEU 266.A N ALA 248.A O no hydrogen 2.632 N/A THR 267.A N MET 210.A O no hydrogen 3.068 N/A VAL 268.A N TYR 246.A O no hydrogen 2.930 N/A LYS 269.A N ILE 207.A O no hydrogen 2.680 N/A ARG 270.A NH2 TYR 206.A OH no hydrogen 2.823 N/A VAL 271.A N PRO 205.A O no hydrogen 2.594 N/A MET 276.A N ARG 272.A O no hydrogen 3.163 N/A ILE 277.A N GLN 273.A O no hydrogen 2.791 N/A THR 278.A N ALA 274.A O no hydrogen 3.200 N/A THR 278.A OG1 ALA 274.A O no hydrogen 3.045 N/A HIS 279.A N ASN 275.A O no hydrogen 2.995 N/A HIS 279.A NE2 GLN 59.A OE1 no hydrogen 2.950 N/A LEU 280.A N MET 276.A O no hydrogen 2.884 N/A GLU 281.A N ILE 277.A O no hydrogen 2.978 N/A HIS 282.A N THR 278.A O no hydrogen 3.012 N/A HIS 283.A N HIS 279.A O no hydrogen 3.156 N/A HIS 283.A ND1 HIS 279.A O no hydrogen 3.185 N/A HIS 284.A N LEU 280.A O no hydrogen 2.913 N/A HIS 284.A N GLU 281.A O no hydrogen 3.250 N/A HIS 285.A N GLU 281.A O no hydrogen 3.150 N/A