Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ekk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 181.A OH no hydrogen 3.235 N/A SER 5.A N ASP 2.A OD2 no hydrogen 2.684 N/A SER 5.A OG ASP 2.A OD2 no hydrogen 2.605 N/A ALA 6.A N ASP 2.A O no hydrogen 3.006 N/A ALA 7.A N ALA 3.A O no hydrogen 3.061 N/A LYS 8.A N SER 5.A O no hydrogen 3.125 N/A CYS 9.A N SER 5.A O no hydrogen 3.382 N/A CYS 9.A N ALA 6.A O no hydrogen 3.195 N/A CYS 9.A SG SER 5.A O no hydrogen 3.837 N/A LEU 10.A N ALA 6.A O no hydrogen 3.385 N/A ALA 12.A N LYS 8.A O no hydrogen 3.253 N/A VAL 13.A N CYS 9.A O no hydrogen 3.137 N/A ARG 14.A N LEU 10.A O no hydrogen 3.284 N/A ARG 14.A NE LEU 39.A O no hydrogen 3.424 N/A ARG 14.A NH1 VAL 254.A O no hydrogen 2.800 N/A ARG 14.A NH2 LEU 251.A O no hydrogen 3.077 N/A ARG 14.A NH2 VAL 254.A O no hydrogen 2.922 N/A ARG 15.A N THR 11.A O no hydrogen 3.099 N/A HIS 16.A N ALA 12.A O no hydrogen 3.019 N/A SER 17.A N VAL 13.A O no hydrogen 2.842 N/A SER 17.A OG GLY 40.A O no hydrogen 3.029 N/A SER 17.A OG SER 42.A OG no hydrogen 3.152 N/A VAL 20.A N SER 42.A O no hydrogen 2.841 N/A HIS 21.A N ALA 61.A O no hydrogen 3.010 N/A HIS 21.A NE2 ALA 46.A O no hydrogen 3.142 N/A SER 22.A N VAL 44.A O no hydrogen 2.889 N/A ILE 23.A N VAL 63.A O no hydrogen 3.037 N/A ASN 25.A N THR 24.A OG1 no hydrogen 2.584 N/A ASN 25.A ND2 ASN 65.A OD1 no hydrogen 3.091 N/A ASN 26.A N THR 68.A OG1 no hydrogen 3.271 N/A VAL 27.A N ASN 25.A OD1 no hydrogen 2.866 N/A VAL 28.A N ASN 25.A OD1 no hydrogen 3.121 N/A THR 32.A N VAL 28.A O no hydrogen 2.907 N/A THR 32.A OG1 VAL 28.A O no hydrogen 2.961 N/A ALA 33.A N THR 29.A O no hydrogen 3.074 N/A ASN 34.A N ASN 30.A O no hydrogen 2.949 N/A GLY 35.A N PHE 31.A O no hydrogen 2.872 N/A LEU 36.A N THR 32.A O no hydrogen 3.114 N/A LEU 37.A N ALA 33.A O no hydrogen 3.003 N/A ALA 38.A N ASN 34.A O no hydrogen 2.929 N/A LEU 39.A N GLY 35.A O no hydrogen 2.958 N/A GLY 40.A N LEU 36.A O no hydrogen 3.051 N/A ALA 41.A N LEU 36.A O no hydrogen 2.874 N/A SER 42.A N PRO 18.A O no hydrogen 2.904 N/A SER 42.A OG SER 17.A O no hydrogen 3.530 N/A SER 42.A OG SER 17.A OG no hydrogen 3.152 N/A VAL 44.A N VAL 20.A O no hydrogen 3.105 N/A GLU 51.A N ALA 48.A O no hydrogen 2.981 N/A VAL 52.A N ALA 48.A O no hydrogen 3.022 N/A MET 55.A N GLU 51.A O no hydrogen 3.011 N/A ALA 56.A N VAL 52.A O no hydrogen 2.893 N/A LYS 57.A N ALA 53.A O no hydrogen 3.286 N/A ILE 58.A N MET 55.A O no hydrogen 3.245 N/A ALA 59.A N ALA 56.A O no hydrogen 3.225 N/A GLY 60.A N LEU 19.A O no hydrogen 2.753 N/A LEU 62.A N PRO 90.A O no hydrogen 2.913 N/A VAL 63.A N HIS 21.A O no hydrogen 2.878 N/A LEU 64.A N ILE 92.A O no hydrogen 2.866 N/A ASN 65.A N ILE 23.A O no hydrogen 3.008 N/A ILE 66.A N ASP 94.A O no hydrogen 3.497 N/A GLY 67.A N ASN 65.A OD1 no hydrogen 2.768 N/A LEU 69.A N ILE 66.A O no hydrogen 3.328 N/A SER 70.A N SER 73.A OG no hydrogen 2.964 N/A SER 70.A OG SER 73.A OG no hydrogen 3.326 N/A SER 73.A N SER 70.A OG no hydrogen 3.054 N/A SER 73.A OG SER 70.A O no hydrogen 3.161 N/A SER 73.A OG SER 70.A OG no hydrogen 3.326 N/A VAL 74.A N SER 70.A O no hydrogen 3.165 N/A GLU 75.A N LYS 71.A O no hydrogen 3.326 N/A ALA 76.A N GLU 72.A O no hydrogen 3.014 N/A MET 77.A N SER 73.A O no hydrogen 2.980 N/A ILE 78.A N VAL 74.A O no hydrogen 3.236 N/A ILE 79.A N GLU 75.A O no hydrogen 3.154 N/A ALA 80.A N ALA 76.A O no hydrogen 2.891 N/A GLY 81.A N MET 77.A O no hydrogen 2.835 N/A LYS 82.A N ILE 78.A O no hydrogen 3.016 N/A LYS 82.A NZ GLU 114.A OE1 no hydrogen 2.858 N/A SER 83.A N ILE 79.A O no hydrogen 3.190 N/A SER 83.A OG ALA 53.A O no hydrogen 2.833 N/A ALA 84.A N ALA 80.A O no hydrogen 3.002 N/A ASN 85.A N GLY 81.A O no hydrogen 2.883 N/A GLU 86.A N LYS 82.A O no hydrogen 3.064 N/A GLU 86.A N SER 83.A O no hydrogen 3.048 N/A HIS 87.A N SER 83.A O no hydrogen 3.144 N/A HIS 87.A N ALA 84.A O no hydrogen 3.116 N/A HIS 87.A ND1 SER 83.A O no hydrogen 2.793 N/A VAL 89.A N ALA 84.A O no hydrogen 2.927 N/A ILE 92.A N LEU 62.A O no hydrogen 2.866 N/A LEU 93.A N ALA 119.A O no hydrogen 3.102 N/A ASP 94.A N LEU 64.A O no hydrogen 2.848 N/A VAL 96.A N ASP 94.A O no hydrogen 2.860 N/A GLY 97.A N GLU 126.A OE2 no hydrogen 2.925 N/A ALA 98.A N PRO 95.A O no hydrogen 3.107 N/A GLY 99.A N THR 105.A OG1 no hydrogen 2.927 N/A ALA 100.A N GLY 97.A O no hydrogen 2.819 N/A ARG 104.A N THR 101.A O no hydrogen 3.156 N/A ARG 104.A NH1 GLY 67.A O no hydrogen 2.903 N/A ARG 104.A NH1 VAL 96.A O no hydrogen 3.296 N/A ARG 104.A NH2 GLY 67.A O no hydrogen 2.937 N/A THR 105.A N THR 101.A O no hydrogen 3.239 N/A THR 105.A OG1 THR 101.A O no hydrogen 3.393 N/A GLU 106.A N PRO 102.A O no hydrogen 2.887 N/A SER 107.A N PHE 103.A O no hydrogen 3.050 N/A SER 107.A OG PHE 103.A O no hydrogen 2.857 N/A ALA 108.A N ARG 104.A O no hydrogen 3.012 N/A ARG 109.A N THR 105.A O no hydrogen 3.069 N/A ARG 109.A NE HIS 129.A O no hydrogen 2.939 N/A ARG 109.A NH2 HIS 129.A O no hydrogen 2.964 N/A ASP 110.A N GLU 106.A O no hydrogen 2.992 N/A ILE 111.A N SER 107.A O no hydrogen 3.111 N/A ILE 112.A N ALA 108.A O no hydrogen 3.280 N/A ARG 113.A N ARG 109.A O no hydrogen 3.256 N/A ARG 113.A N ASP 110.A O no hydrogen 3.219 N/A GLU 114.A N ASP 110.A O no hydrogen 3.173 N/A VAL 115.A N ILE 111.A O no hydrogen 2.856 N/A ARG 116.A NH1 ASN 85.A O no hydrogen 3.566 N/A ALA 118.A N VAL 91.A O no hydrogen 2.856 N/A ILE 120.A N VAL 164.A O no hydrogen 3.008 N/A ARG 121.A N LEU 93.A O no hydrogen 2.992 N/A GLY 122.A N ALA 166.A O no hydrogen 3.339 N/A ASN 123.A N GLU 126.A OE1 no hydrogen 2.901 N/A GLU 126.A N ASN 123.A OD1 no hydrogen 2.806 N/A ILE 127.A N ASN 123.A O no hydrogen 3.051 N/A ALA 128.A N ALA 124.A O no hydrogen 3.002 N/A HIS 129.A N ALA 125.A O no hydrogen 3.098 N/A HIS 129.A ND1 ALA 125.A O no hydrogen 2.729 N/A THR 130.A N GLU 126.A O no hydrogen 3.197 N/A THR 130.A OG1 GLU 126.A O no hydrogen 2.785 N/A VAL 131.A N ILE 127.A O no hydrogen 3.107 N/A GLY 132.A N ALA 128.A O no hydrogen 2.681 N/A VAL 133.A N ALA 128.A O no hydrogen 2.998 N/A VAL 141.A N GLU 145.A OE2 no hydrogen 2.796 N/A ILE 150.A N GLY 147.A O no hydrogen 3.175 N/A ILE 151.A N GLY 147.A O no hydrogen 3.024 N/A ARG 152.A N GLY 148.A O no hydrogen 2.946 N/A LEU 153.A N ASP 149.A O no hydrogen 3.106 N/A ALA 154.A N ILE 150.A O no hydrogen 3.021 N/A GLN 155.A N ILE 151.A O no hydrogen 3.145 N/A GLN 156.A N ARG 152.A O no hydrogen 2.989 N/A ALA 157.A N LEU 153.A O no hydrogen 3.040 N/A ALA 158.A N ALA 154.A O no hydrogen 2.999 N/A GLN 159.A N GLN 155.A O no hydrogen 2.936 N/A LYS 160.A N GLN 156.A O no hydrogen 3.102 N/A LEU 161.A N ALA 157.A O no hydrogen 3.140 N/A THR 163.A N ALA 158.A O no hydrogen 3.325 N/A THR 163.A OG1 LEU 117.A O no hydrogen 2.634 N/A VAL 164.A N ALA 118.A O no hydrogen 3.392 N/A ILE 165.A N ALA 175.A O no hydrogen 2.910 N/A ALA 166.A N ILE 120.A O no hydrogen 3.033 N/A ILE 167.A N VAL 173.A O no hydrogen 2.792 N/A THR 168.A N GLY 122.A O no hydrogen 3.372 N/A GLY 169.A N ASP 172.A OD1 no hydrogen 3.287 N/A ASP 172.A N LEU 183.A O no hydrogen 2.976 N/A VAL 173.A N ILE 167.A O no hydrogen 3.011 N/A ILE 174.A N TYR 181.A O no hydrogen 2.939 N/A ALA 175.A N ILE 165.A O no hydrogen 2.990 N/A ASP 176.A N HIS 179.A O no hydrogen 3.052 N/A SER 178.A N ASP 176.A OD1 no hydrogen 3.026 N/A HIS 179.A N ASP 176.A OD1 no hydrogen 2.673 N/A TYR 181.A N ILE 174.A O no hydrogen 2.818 N/A THR 182.A N GLU 266.A O no hydrogen 2.958 N/A LEU 183.A N ASP 172.A O no hydrogen 2.667 N/A HIS 184.A N THR 264.A O no hydrogen 3.038 N/A LEU 190.A N HIS 187.A O no hydrogen 3.174 N/A THR 191.A N LYS 188.A O no hydrogen 2.973 N/A THR 191.A OG1 LYS 188.A O no hydrogen 2.747 N/A LYS 192.A N LEU 189.A O no hydrogen 3.076 N/A VAL 193.A N LEU 190.A O no hydrogen 3.506 N/A ALA 196.A N VAL 193.A O no hydrogen 3.190 N/A LEU 199.A N ALA 196.A O no hydrogen 3.227 N/A THR 200.A N GLY 197.A O no hydrogen 3.102 N/A THR 200.A OG1 ASP 94.A OD2 no hydrogen 2.616 N/A THR 200.A OG1 GLY 197.A O no hydrogen 3.472 N/A VAL 202.A N LEU 198.A O no hydrogen 2.964 N/A VAL 203.A N LEU 199.A O no hydrogen 3.009 N/A GLY 204.A N THR 200.A O no hydrogen 3.147 N/A ALA 205.A N SER 201.A O no hydrogen 3.013 N/A PHE 206.A N VAL 202.A O no hydrogen 3.006 N/A CYS 207.A N VAL 203.A O no hydrogen 2.969 N/A CYS 207.A SG VAL 203.A O no hydrogen 3.432 N/A ALA 208.A N GLY 204.A O no hydrogen 3.211 N/A ALA 208.A N ALA 205.A O no hydrogen 3.337 N/A VAL 209.A N PHE 206.A O no hydrogen 3.135 N/A GLU 210.A N PHE 206.A O no hydrogen 3.003 N/A ASN 212.A N GLU 210.A OE2 no hydrogen 2.891 N/A LEU 214.A N ASN 212.A OD1 no hydrogen 2.888 N/A ALA 216.A N ASN 212.A O no hydrogen 3.050 N/A ALA 217.A N PRO 213.A O no hydrogen 2.986 N/A ILE 218.A N LEU 214.A O no hydrogen 3.064 N/A ALA 219.A N PHE 215.A O no hydrogen 2.943 N/A ALA 220.A N ALA 216.A O no hydrogen 2.866 N/A ILE 221.A N ALA 217.A O no hydrogen 3.000 N/A SER 222.A N ILE 218.A O no hydrogen 3.054 N/A SER 222.A OG ILE 218.A O no hydrogen 2.912 N/A SER 223.A N ALA 219.A O no hydrogen 3.127 N/A SER 223.A OG ALA 219.A O no hydrogen 2.925 N/A TYR 224.A N ALA 220.A O no hydrogen 3.024 N/A TYR 224.A OH ALA 196.A O no hydrogen 2.738 N/A GLY 225.A N ILE 221.A O no hydrogen 3.053 N/A VAL 226.A N SER 222.A O no hydrogen 3.074 N/A ALA 227.A N SER 223.A O no hydrogen 3.091 N/A ALA 228.A N TYR 224.A O no hydrogen 2.976 N/A GLN 229.A N GLY 225.A O no hydrogen 3.027 N/A GLN 229.A NE2 GLN 233.A OE1 no hydrogen 3.540 N/A LEU 230.A N VAL 226.A O no hydrogen 3.026 N/A ALA 231.A N ALA 227.A O no hydrogen 3.028 N/A ALA 232.A N ALA 228.A O no hydrogen 2.952 N/A GLN 233.A N GLN 229.A O no hydrogen 3.074 N/A THR 235.A N ALA 232.A O no hydrogen 3.145 N/A THR 235.A OG1 ALA 231.A O no hydrogen 2.940 N/A THR 235.A OG1 SER 242.A O no hydrogen 3.516 N/A ALA 236.A N ALA 232.A O no hydrogen 2.539 N/A LYS 238.A N THR 235.A O no hydrogen 3.090 N/A PHE 243.A N GLY 239.A O no hydrogen 3.169 N/A GLN 244.A N PRO 240.A O no hydrogen 3.171 N/A GLU 246.A N SER 242.A O no hydrogen 2.946 N/A LEU 247.A N PHE 243.A O no hydrogen 2.777 N/A LEU 248.A N GLN 244.A O no hydrogen 3.411 N/A ASN 249.A N ILE 245.A O no hydrogen 3.174 N/A ASN 249.A ND2 GLU 246.A OE2 no hydrogen 3.172 N/A LYS 250.A N GLU 246.A O no hydrogen 2.881 N/A LYS 250.A NZ GLU 246.A OE1 no hydrogen 2.538 N/A LEU 251.A N LEU 247.A O no hydrogen 2.976 N/A SER 252.A N ASN 249.A O no hydrogen 3.114 N/A SER 252.A OG ASN 249.A O no hydrogen 2.779 N/A THR 253.A N ASN 249.A O no hydrogen 3.136 N/A THR 253.A N LYS 250.A O no hydrogen 3.199 N/A THR 253.A OG1 ASN 249.A O no hydrogen 3.384 N/A VAL 254.A N LYS 250.A O no hydrogen 2.815 N/A THR 255.A N ASP 258.A OD2 no hydrogen 2.819 N/A THR 255.A OG1 ASP 258.A OD2 no hydrogen 2.728 N/A GLN 257.A N GLN 257.A OE1 no hydrogen 2.683 N/A ASP 258.A N THR 255.A OG1 no hydrogen 3.248 N/A VAL 259.A N THR 255.A O no hydrogen 3.318 N/A GLN 260.A N GLU 256.A O no hydrogen 3.095 N/A GLU 261.A N GLN 257.A O no hydrogen 3.025 N/A GLU 261.A N ASP 258.A O no hydrogen 3.212 N/A TRP 262.A N ASP 258.A O no hydrogen 2.987 N/A ALA 263.A N VAL 259.A O no hydrogen 3.206 N/A THR 264.A OG1 HIS 184.A O no hydrogen 3.513 N/A GLU 266.A N THR 182.A O no hydrogen 3.090 N/A ARG 267.A NE VAL 180.A O no hydrogen 2.483 N/A VAL 268.A N VAL 180.A O no hydrogen 2.906 N/A