Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 9.A N SER 6.A OG no hydrogen 2.960 N/A LEU 10.A N SER 6.A O no hydrogen 2.879 N/A ALA 11.A N PRO 7.A O no hydrogen 2.840 N/A ALA 12.A N GLU 8.A O no hydrogen 3.276 N/A ILE 13.A N ARG 9.A O no hydrogen 3.043 N/A ALA 14.A N LEU 10.A O no hydrogen 2.747 N/A LYS 15.A N ALA 11.A O no hydrogen 2.921 N/A ASP 16.A N ALA 12.A O no hydrogen 3.261 N/A ALA 17.A N ILE 13.A O no hydrogen 2.877 N/A LEU 18.A N ALA 14.A O no hydrogen 2.749 N/A GLY 19.A N LYS 15.A O no hydrogen 2.762 N/A ALA 20.A N ASP 16.A O no hydrogen 2.803 N/A LEU 21.A N ALA 17.A O no hydrogen 3.003 N/A ASN 22.A N LEU 18.A O no hydrogen 2.920 N/A ASP 23.A N GLY 19.A O no hydrogen 2.908 N/A VAL 24.A N ALA 20.A O no hydrogen 3.011 N/A ILE 25.A N LEU 21.A O no hydrogen 3.112 N/A LEU 26.A N ASN 22.A O no hydrogen 3.042 N/A LYS 27.A N ASP 23.A O no hydrogen 2.805 N/A HIS 28.A N VAL 24.A O no hydrogen 3.002 N/A GLY 29.A N LEU 26.A O no hydrogen 3.295 N/A VAL 30.A N ILE 25.A O no hydrogen 2.955 N/A THR 31.A N GLU 34.A OE2 no hydrogen 3.030 N/A GLU 34.A N THR 31.A OG1 no hydrogen 3.152 N/A TYR 35.A N THR 31.A O no hydrogen 2.851 N/A ARG 36.A N TYR 32.A O no hydrogen 2.969 N/A VAL 37.A N PRO 33.A O no hydrogen 3.115 N/A PHE 38.A N GLU 34.A O no hydrogen 2.828 N/A LYS 39.A N TYR 35.A O no hydrogen 2.835 N/A GLN 40.A N ARG 36.A O no hydrogen 3.022 N/A GLN 40.A NE2 ASP 44.A OD1 no hydrogen 2.893 N/A TRP 41.A N VAL 37.A O no hydrogen 2.888 N/A TRP 41.A NE1 PRO 179.A O no hydrogen 2.967 N/A LEU 42.A N PHE 38.A O no hydrogen 3.031 N/A ILE 43.A N LYS 39.A O no hydrogen 3.255 N/A ASP 44.A N GLN 40.A O no hydrogen 2.781 N/A VAL 45.A N TRP 41.A O no hydrogen 2.894 N/A GLY 46.A N LEU 42.A O no hydrogen 3.239 N/A GLU 47.A N ILE 43.A O no hydrogen 3.031 N/A GLY 48.A N ASP 44.A O no hydrogen 2.828 N/A GLY 49.A N GLY 46.A O no hydrogen 3.036 N/A GLU 50.A N VAL 45.A O no hydrogen 3.067 N/A PHE 54.A N GLU 50.A O no hydrogen 2.801 N/A LEU 55.A N TRP 51.A O no hydrogen 2.907 N/A ASP 56.A N PRO 52.A O no hydrogen 3.046 N/A VAL 57.A N LEU 53.A O no hydrogen 3.168 N/A PHE 58.A N PHE 54.A O no hydrogen 2.918 N/A ILE 59.A N LEU 55.A O no hydrogen 2.628 N/A GLU 60.A N LEU 55.A O no hydrogen 2.946 N/A SER 62.A N ILE 59.A O no hydrogen 3.024 N/A SER 62.A OG ILE 59.A O no hydrogen 3.473 N/A GLU 64.A N GLU 60.A O no hydrogen 2.934 N/A GLU 65.A N HIS 61.A O no hydrogen 2.975 N/A VAL 66.A N SER 62.A O no hydrogen 3.112 N/A LEU 67.A N VAL 63.A O no hydrogen 3.193 N/A ALA 68.A N GLU 64.A O no hydrogen 2.754 N/A ARG 69.A N VAL 66.A O no hydrogen 3.026 N/A SER 70.A N LEU 67.A O no hydrogen 3.361 N/A SER 70.A OG LEU 67.A O no hydrogen 2.936 N/A ARG 71.A N ALA 68.A O no hydrogen 3.218 N/A ARG 71.A NH1 THR 74.A O no hydrogen 2.866 N/A ARG 71.A NH2 THR 74.A O no hydrogen 2.894 N/A LYS 72.A N ASP 254.A OD1 no hydrogen 2.673 N/A LYS 72.A N ASP 254.A OD2 no hydrogen 3.202 N/A GLY 73.A N ASP 254.A OD2 no hydrogen 2.691 N/A THR 74.A N VAL 252.A O no hydrogen 2.774 N/A THR 74.A OG1 MET 75.A O no hydrogen 3.294 N/A SER 77.A N THR 210.A O no hydrogen 3.031 N/A SER 77.A OG TYR 214.A OH no hydrogen 3.411 N/A SER 77.A OG ALA 228.A O no hydrogen 2.697 N/A GLU 79.A N GLU 60.A OE1 no hydrogen 2.814 N/A GLY 80.A N GLU 60.A OE2 no hydrogen 3.144 N/A TYR 83.A OH GLU 128.A OE1 no hydrogen 2.831 N/A LEU 90.A N THR 153.A O no hydrogen 2.769 N/A CYS 94.A N GLU 163.A O no hydrogen 2.905 N/A CYS 94.A SG PRO 91.A O no hydrogen 3.351 N/A THR 95.A OG1 ASP 96.A O no hydrogen 3.382 N/A ASP 96.A N THR 165.A O no hydrogen 2.950 N/A ARG 99.A N ASP 102.A OD1 no hydrogen 2.999 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.786 N/A GLU 103.A N ARG 99.A O no hydrogen 3.207 N/A GLU 103.A N GLU 100.A O no hydrogen 3.143 N/A LYS 104.A N GLU 101.A O no hydrogen 3.216 N/A ILE 105.A N ASP 102.A O no hydrogen 3.079 N/A THR 106.A OG1 ASN 245.A OD1 no hydrogen 3.515 N/A LEU 108.A N THR 166.A O no hydrogen 2.879 N/A VAL 109.A N ASN 245.A O no hydrogen 2.709 N/A PHE 110.A N ILE 164.A O no hydrogen 2.769 N/A SER 111.A N VAL 247.A O no hydrogen 2.950 N/A GLY 112.A N TYR 162.A O no hydrogen 3.193 N/A VAL 114.A N GLY 160.A O no hydrogen 2.685 N/A THR 115.A N PHE 251.A O no hydrogen 2.650 N/A THR 115.A OG1 ASP 116.A O no hydrogen 2.868 N/A ASP 116.A N ASN 120.A O no hydrogen 2.874 N/A ASP 118.A N ASP 116.A OD1 no hydrogen 2.652 N/A GLY 119.A N ASP 116.A O no hydrogen 3.024 N/A ASN 120.A N ASP 116.A OD1 no hydrogen 3.028 N/A LEU 122.A N VAL 114.A O no hydrogen 2.841 N/A LYS 126.A N SER 202.A O no hydrogen 2.891 N/A LYS 126.A NZ GLU 89.A OE2 no hydrogen 3.524 N/A VAL 127.A N ILE 154.A O no hydrogen 2.789 N/A GLU 128.A N ILE 200.A O no hydrogen 2.783 N/A LEU 129.A N GLY 152.A O no hydrogen 3.061 N/A TRP 130.A N HIS 198.A O no hydrogen 3.010 N/A ASP 133.A N TYR 137.A O no hydrogen 2.891 N/A ASP 135.A N ASP 133.A OD2 no hydrogen 2.905 N/A GLY 136.A N ASP 133.A O no hydrogen 2.904 N/A TYR 137.A N ASP 133.A OD2 no hydrogen 2.857 N/A TYR 138.A OH HIS 198.A NE2 no hydrogen 3.152 N/A SER 139.A OG GLU 147.A O no hydrogen 3.360 N/A SER 139.A OG ASN 149.A O no hydrogen 2.833 N/A GLN 140.A NE2 GLU 147.A O no hydrogen 2.929 N/A PHE 141.A N TYR 138.A O no hydrogen 2.969 N/A LEU 145.A N ALA 142.A O no hydrogen 3.066 N/A ASN 149.A N PRO 146.A O no hydrogen 3.177 N/A ASN 149.A ND2 ASP 102.A OD1 no hydrogen 3.401 N/A LEU 150.A N PRO 97.A O no hydrogen 2.721 N/A ARG 151.A N TRP 148.A O no hydrogen 2.817 N/A ARG 151.A NE SER 139.A O no hydrogen 3.340 N/A ARG 151.A NE SER 139.A OG no hydrogen 2.756 N/A ARG 151.A NH1 TYR 82.A O no hydrogen 2.855 N/A ARG 151.A NH2 TYR 82.A O no hydrogen 2.856 N/A ARG 151.A NH2 SER 139.A O no hydrogen 2.857 N/A GLY 152.A N LEU 129.A O no hydrogen 3.068 N/A THR 153.A N PRO 88.A O no hydrogen 3.047 N/A ILE 154.A N VAL 127.A O no hydrogen 2.695 N/A ILE 155.A N LEU 90.A O no hydrogen 2.854 N/A ALA 156.A N ALA 125.A O no hydrogen 2.953 N/A ASP 157.A N ARG 161.A O no hydrogen 2.846 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.825 N/A GLU 159.A N ASP 157.A OD1 no hydrogen 2.818 N/A GLY 160.A N ASP 157.A O no hydrogen 2.935 N/A ARG 161.A N ASP 157.A OD1 no hydrogen 2.791 N/A TYR 162.A N GLY 112.A O no hydrogen 2.989 N/A TYR 162.A OH TYR 249.A O no hydrogen 2.623 N/A GLU 163.A N SER 92.A O no hydrogen 2.717 N/A ILE 164.A N PHE 110.A O no hydrogen 2.713 N/A THR 165.A N CYS 94.A O no hydrogen 2.844 N/A THR 166.A N LEU 108.A O no hydrogen 2.866 N/A THR 166.A OG1 ASP 96.A OD2 no hydrogen 3.543 N/A ILE 167.A N THR 166.A OG1 no hydrogen 2.693 N/A GLN 168.A N THR 106.A O no hydrogen 2.985 N/A GLN 168.A NE2 PRO 169.A O no hydrogen 3.350 N/A TYR 172.A N ARG 193.A O no hydrogen 2.951 N/A ILE 174.A N PRO 191.A O no hydrogen 2.927 N/A THR 180.A N GLU 50.A OE2 no hydrogen 2.725 N/A THR 180.A OG1 GLU 50.A OE2 no hydrogen 2.668 N/A GLN 182.A N GLY 178.A O no hydrogen 3.021 N/A PHE 183.A N PRO 179.A O no hydrogen 2.899 N/A ILE 184.A N THR 180.A O no hydrogen 2.895 N/A GLU 185.A N GLY 181.A O no hydrogen 2.600 N/A ALA 186.A N GLN 182.A O no hydrogen 2.765 N/A GLN 187.A N ILE 184.A O no hydrogen 3.175 N/A GLN 187.A NE2 PHE 183.A O no hydrogen 3.211 N/A ASN 188.A N GLU 185.A O no hydrogen 3.050 N/A GLY 189.A N ILE 184.A O no hydrogen 3.097 N/A ARG 193.A N TYR 172.A O no hydrogen 2.731 N/A ARG 193.A NE ASP 224.A OD1 no hydrogen 2.887 N/A ARG 193.A NH1 GLN 212.A OE1 no hydrogen 2.852 N/A ARG 193.A NH2 GLN 212.A OE1 no hydrogen 3.317 N/A ARG 193.A NH2 TYR 214.A OH no hydrogen 2.986 N/A ARG 193.A NH2 ASP 224.A OD2 no hydrogen 2.923 N/A HIS 196.A ND1 PRO 194.A O no hydrogen 2.753 N/A LEU 197.A N LEU 213.A O no hydrogen 2.876 N/A HIS 198.A N TRP 130.A O no hydrogen 2.838 N/A LEU 199.A N THR 211.A O no hydrogen 2.951 N/A ILE 200.A N GLU 128.A O no hydrogen 2.890 N/A VAL 201.A N VAL 209.A O no hydrogen 2.910 N/A SER 202.A N LYS 126.A O no hydrogen 3.032 N/A LYS 206.A N ALA 203.A O no hydrogen 2.901 N/A GLU 207.A N ASP 254.A O no hydrogen 2.888 N/A VAL 209.A N VAL 201.A O no hydrogen 2.843 N/A THR 211.A N LEU 199.A O no hydrogen 2.786 N/A THR 211.A OG1 MET 75.A O no hydrogen 2.871 N/A THR 211.A OG1 GLN 212.A O no hydrogen 3.370 N/A GLN 212.A N THR 211.A OG1 no hydrogen 2.608 N/A GLN 212.A NE2 ILE 78.A O no hydrogen 3.015 N/A LEU 213.A N LEU 197.A O no hydrogen 3.036 N/A TYR 214.A N LEU 233.A O no hydrogen 2.910 N/A TYR 214.A OH SER 77.A OG no hydrogen 3.411 N/A TYR 214.A OH GLN 212.A OE1 no hydrogen 2.972 N/A TYR 214.A OH ALA 228.A O no hydrogen 2.924 N/A LYS 216.A N LEU 235.A O no hydrogen 2.732 N/A GLY 218.A N PHE 215.A O no hydrogen 2.962 N/A ILE 221.A N GLY 218.A O no hydrogen 3.326 N/A SER 223.A N TRP 220.A O no hydrogen 3.037 N/A SER 223.A OG ASP 222.A OD1 no hydrogen 3.429 N/A VAL 225.A N TRP 192.A O no hydrogen 3.168 N/A ALA 226.A N ASP 224.A OD1 no hydrogen 3.094 N/A SER 227.A N ASP 224.A O no hydrogen 2.948 N/A ALA 228.A N ASP 224.A OD2 no hydrogen 2.874 N/A THR 229.A OG1 ILE 221.A O no hydrogen 3.291 N/A LYS 230.A NZ GLU 64.A OE1 no hydrogen 3.108 N/A LYS 230.A NZ GLU 64.A OE2 no hydrogen 2.675 N/A LYS 230.A NZ GLY 76.A O no hydrogen 2.739 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.808 N/A LEU 233.A N LYS 230.A O no hydrogen 2.972 N/A ILE 234.A N PRO 231.A O no hydrogen 3.401 N/A LEU 235.A N TYR 214.A O no hydrogen 2.811 N/A LYS 238.A N TYR 246.A O no hydrogen 2.724 N/A LYS 238.A NZ ASP 236.A OD2 no hydrogen 3.324 N/A GLY 240.A N LYS 244.A O no hydrogen 2.874 N/A GLY 243.A N GLY 240.A O no hydrogen 2.840 N/A LYS 244.A N ASP 242.A OD2 no hydrogen 2.985 N/A ASN 245.A N PRO 107.A O no hydrogen 2.931 N/A TYR 246.A N LYS 238.A O no hydrogen 2.728 N/A TYR 246.A OH ASP 242.A OD1 no hydrogen 2.399 N/A VAL 247.A N VAL 109.A O no hydrogen 3.036 N/A TYR 249.A N SER 111.A O no hydrogen 2.770 N/A TYR 249.A OH GLU 232.A O no hydrogen 3.189 N/A PHE 251.A N GLN 113.A O no hydrogen 2.870 N/A LEU 253.A N THR 115.A O no hydrogen 2.848 N/A ALA 256.A N GLY 205.A O no hydrogen 2.851 N/A