Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ekq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 166.A OH no hydrogen 3.146 N/A SER 5.A N ASP 2.A OD1 no hydrogen 2.746 N/A SER 5.A OG ASP 2.A OD1 no hydrogen 3.133 N/A ALA 6.A N ASP 2.A O no hydrogen 2.962 N/A ALA 7.A N ALA 3.A O no hydrogen 3.066 N/A LYS 8.A N GLN 4.A O no hydrogen 3.288 N/A LYS 8.A NZ SER 5.A OG no hydrogen 2.992 N/A CYS 9.A N SER 5.A O no hydrogen 3.165 N/A CYS 9.A SG SER 5.A O no hydrogen 3.558 N/A LEU 10.A N ALA 6.A O no hydrogen 3.155 N/A THR 11.A N ALA 7.A O no hydrogen 3.194 N/A THR 11.A OG1 ALA 7.A O no hydrogen 3.531 N/A THR 11.A OG1 GLU 241.A OE2 no hydrogen 2.734 N/A ALA 12.A N LYS 8.A O no hydrogen 3.107 N/A VAL 13.A N CYS 9.A O no hydrogen 3.017 N/A ARG 14.A N LEU 10.A O no hydrogen 3.235 N/A ARG 14.A NE LEU 39.A O no hydrogen 3.084 N/A ARG 14.A NH1 VAL 239.A O no hydrogen 2.891 N/A ARG 14.A NH2 LEU 236.A O no hydrogen 2.837 N/A ARG 14.A NH2 VAL 239.A O no hydrogen 2.914 N/A ARG 15.A N THR 11.A O no hydrogen 2.952 N/A HIS 16.A N ALA 12.A O no hydrogen 2.987 N/A SER 17.A N VAL 13.A O no hydrogen 2.957 N/A SER 17.A OG GLY 40.A O no hydrogen 3.092 N/A SER 17.A OG SER 42.A OG no hydrogen 3.022 N/A VAL 20.A N SER 42.A O no hydrogen 2.834 N/A HIS 21.A N ALA 61.A O no hydrogen 2.883 N/A HIS 21.A NE2 ALA 46.A O no hydrogen 2.654 N/A SER 22.A N VAL 44.A O no hydrogen 2.917 N/A SER 22.A OG SER 186.A OG no hydrogen 2.775 N/A ILE 23.A N VAL 63.A O no hydrogen 2.914 N/A ASN 25.A ND2 ASN 65.A OD1 no hydrogen 3.143 N/A ASN 26.A N THR 68.A OG1 no hydrogen 3.414 N/A VAL 27.A N ASN 25.A OD1 no hydrogen 3.172 N/A VAL 28.A N ASN 25.A O no hydrogen 3.253 N/A THR 32.A N VAL 28.A O no hydrogen 2.903 N/A THR 32.A OG1 VAL 28.A O no hydrogen 2.720 N/A ALA 33.A N THR 29.A O no hydrogen 2.951 N/A ASN 34.A N ASN 30.A O no hydrogen 2.904 N/A ASN 34.A ND2 ASN 30.A OD1 no hydrogen 3.210 N/A GLY 35.A N PHE 31.A O no hydrogen 2.806 N/A LEU 36.A N THR 32.A O no hydrogen 3.067 N/A LEU 37.A N ALA 33.A O no hydrogen 2.909 N/A ALA 38.A N ASN 34.A O no hydrogen 2.903 N/A LEU 39.A N GLY 35.A O no hydrogen 2.933 N/A GLY 40.A N LEU 36.A O no hydrogen 3.086 N/A ALA 41.A N LEU 36.A O no hydrogen 2.839 N/A SER 42.A N PRO 18.A O no hydrogen 2.829 N/A SER 42.A OG SER 17.A O no hydrogen 2.948 N/A SER 42.A OG SER 17.A OG no hydrogen 3.022 N/A VAL 44.A N VAL 20.A O no hydrogen 3.043 N/A GLU 51.A N ALA 48.A O no hydrogen 2.955 N/A VAL 52.A N ALA 48.A O no hydrogen 2.985 N/A MET 55.A N GLU 51.A O no hydrogen 3.173 N/A ALA 56.A N VAL 52.A O no hydrogen 2.969 N/A LYS 57.A N ALA 53.A O no hydrogen 3.340 N/A ILE 58.A N MET 55.A O no hydrogen 3.277 N/A ALA 59.A N ALA 56.A O no hydrogen 3.268 N/A GLY 60.A N LEU 19.A O no hydrogen 2.698 N/A ALA 61.A N LEU 19.A O no hydrogen 3.376 N/A LEU 62.A N PRO 90.A O no hydrogen 2.899 N/A VAL 63.A N HIS 21.A O no hydrogen 2.771 N/A LEU 64.A N ILE 92.A O no hydrogen 2.787 N/A ASN 65.A N ILE 23.A O no hydrogen 2.951 N/A ILE 66.A N ASP 94.A O no hydrogen 3.396 N/A GLY 67.A N ASN 65.A OD1 no hydrogen 2.902 N/A SER 70.A OG SER 73.A OG no hydrogen 2.879 N/A LYS 71.A NZ GLU 75.A OE2 no hydrogen 2.870 N/A SER 73.A N SER 70.A OG no hydrogen 3.019 N/A SER 73.A OG SER 70.A O no hydrogen 3.370 N/A SER 73.A OG SER 70.A OG no hydrogen 2.879 N/A VAL 74.A N SER 70.A O no hydrogen 3.192 N/A GLU 75.A N LYS 71.A O no hydrogen 3.379 N/A ALA 76.A N GLU 72.A O no hydrogen 3.019 N/A MET 77.A N SER 73.A O no hydrogen 2.965 N/A ILE 78.A N VAL 74.A O no hydrogen 3.086 N/A ILE 79.A N GLU 75.A O no hydrogen 3.008 N/A ALA 80.A N ALA 76.A O no hydrogen 2.844 N/A GLY 81.A N MET 77.A O no hydrogen 2.851 N/A LYS 82.A N ILE 78.A O no hydrogen 2.834 N/A LYS 82.A NZ GLU 114.A O no hydrogen 3.298 N/A LYS 82.A NZ GLU 114.A OE1 no hydrogen 2.843 N/A SER 83.A N ILE 79.A O no hydrogen 3.057 N/A SER 83.A OG ALA 53.A O no hydrogen 2.711 N/A ALA 84.A N ALA 80.A O no hydrogen 2.851 N/A ASN 85.A N GLY 81.A O no hydrogen 2.863 N/A GLU 86.A N LYS 82.A O no hydrogen 2.948 N/A HIS 87.A N SER 83.A O no hydrogen 3.168 N/A HIS 87.A ND1 SER 83.A O no hydrogen 2.715 N/A GLY 88.A N ASN 85.A O no hydrogen 3.478 N/A VAL 89.A N ALA 84.A O no hydrogen 2.950 N/A ILE 92.A N LEU 62.A O no hydrogen 2.837 N/A LEU 93.A N ALA 119.A O no hydrogen 2.992 N/A ASP 94.A N LEU 64.A O no hydrogen 2.812 N/A GLY 97.A N GLU 126.A OE2 no hydrogen 2.907 N/A ALA 98.A N PRO 95.A O no hydrogen 3.056 N/A GLY 99.A N THR 105.A OG1 no hydrogen 2.885 N/A ALA 100.A N GLY 97.A O no hydrogen 2.857 N/A ARG 104.A NH1 VAL 96.A O no hydrogen 3.239 N/A THR 105.A N THR 101.A O no hydrogen 3.297 N/A THR 105.A OG1 THR 101.A O no hydrogen 3.012 N/A GLU 106.A N PRO 102.A O no hydrogen 2.956 N/A SER 107.A N PHE 103.A O no hydrogen 2.996 N/A SER 107.A OG PHE 103.A O no hydrogen 2.823 N/A ALA 108.A N ARG 104.A O no hydrogen 2.954 N/A ARG 109.A N THR 105.A O no hydrogen 2.995 N/A ARG 109.A NE HIS 129.A O no hydrogen 2.928 N/A ARG 109.A NH2 HIS 129.A O no hydrogen 2.957 N/A ASP 110.A N GLU 106.A O no hydrogen 2.953 N/A ILE 111.A N SER 107.A O no hydrogen 3.066 N/A ILE 112.A N ALA 108.A O no hydrogen 3.154 N/A ARG 113.A N ARG 109.A O no hydrogen 3.151 N/A ARG 113.A N ASP 110.A O no hydrogen 3.083 N/A GLU 114.A N ASP 110.A O no hydrogen 3.062 N/A VAL 115.A N ILE 111.A O no hydrogen 2.783 N/A ARG 116.A NH2 ASN 85.A O no hydrogen 3.150 N/A ALA 118.A N VAL 91.A O no hydrogen 2.823 N/A ILE 120.A N VAL 149.A O no hydrogen 2.875 N/A ARG 121.A N LEU 93.A O no hydrogen 2.950 N/A ARG 121.A NH1 THR 185.A OG1 no hydrogen 2.904 N/A GLY 122.A N ALA 151.A O no hydrogen 3.170 N/A ASN 123.A N GLU 126.A OE1 no hydrogen 2.879 N/A GLU 126.A N ASN 123.A OD1 no hydrogen 2.926 N/A ILE 127.A N ASN 123.A O no hydrogen 3.056 N/A ALA 128.A N ALA 124.A O no hydrogen 3.029 N/A HIS 129.A N ALA 125.A O no hydrogen 2.941 N/A HIS 129.A ND1 ALA 125.A O no hydrogen 2.854 N/A THR 130.A N GLU 126.A O no hydrogen 2.982 N/A THR 130.A OG1 GLU 126.A O no hydrogen 2.757 N/A VAL 131.A N ILE 127.A O no hydrogen 2.798 N/A ILE 136.A N GLY 132.A O no hydrogen 2.965 N/A ARG 137.A N GLY 133.A O no hydrogen 3.126 N/A ARG 137.A NH1 ASP 134.A OD1 no hydrogen 3.531 N/A LEU 138.A N ASP 134.A O no hydrogen 2.995 N/A ALA 139.A N ILE 135.A O no hydrogen 2.961 N/A GLN 140.A N ILE 136.A O no hydrogen 3.005 N/A GLN 140.A NE2 GLN 140.A O no hydrogen 3.658 N/A GLN 140.A NE2 ASP 161.A O no hydrogen 2.770 N/A GLN 141.A N ARG 137.A O no hydrogen 2.818 N/A ALA 142.A N LEU 138.A O no hydrogen 2.998 N/A ALA 143.A N ALA 139.A O no hydrogen 3.001 N/A GLN 144.A N GLN 140.A O no hydrogen 2.989 N/A GLN 144.A NE2 THR 162.A O no hydrogen 3.029 N/A LYS 145.A N GLN 141.A O no hydrogen 2.954 N/A LEU 146.A N ALA 142.A O no hydrogen 3.043 N/A THR 148.A N ALA 143.A O no hydrogen 3.135 N/A THR 148.A OG1 LEU 117.A O no hydrogen 2.793 N/A VAL 149.A N ALA 118.A O no hydrogen 3.346 N/A VAL 149.A N THR 148.A OG1 no hydrogen 2.751 N/A ILE 150.A N ALA 160.A O no hydrogen 2.819 N/A ALA 151.A N ILE 120.A O no hydrogen 2.918 N/A ILE 152.A N VAL 158.A O no hydrogen 2.794 N/A THR 153.A N GLY 122.A O no hydrogen 3.027 N/A GLY 154.A N ASP 157.A OD1 no hydrogen 3.258 N/A ASP 157.A N LEU 168.A O no hydrogen 2.891 N/A VAL 158.A N ILE 152.A O no hydrogen 3.053 N/A ILE 159.A N TYR 166.A O no hydrogen 2.930 N/A ALA 160.A N ILE 150.A O no hydrogen 2.854 N/A ASP 161.A N HIS 164.A O no hydrogen 3.030 N/A SER 163.A N ASP 161.A OD1 no hydrogen 2.974 N/A HIS 164.A N ASP 161.A OD1 no hydrogen 2.667 N/A TYR 166.A N ILE 159.A O no hydrogen 2.824 N/A THR 167.A N GLU 251.A O no hydrogen 2.798 N/A THR 167.A OG1 HIS 169.A NE2 no hydrogen 3.149 N/A LEU 168.A N ASP 157.A O no hydrogen 2.768 N/A HIS 169.A N THR 249.A O no hydrogen 2.917 N/A HIS 169.A NE2 THR 167.A OG1 no hydrogen 3.149 N/A ASN 170.A ND2 GLN 214.A OE1 no hydrogen 2.938 N/A ASN 170.A ND2 TRP 247.A O no hydrogen 2.729 N/A GLY 171.A N GLN 214.A OE1 no hydrogen 2.941 N/A LYS 173.A NZ GLU 155.A OE1 no hydrogen 3.476 N/A LEU 175.A N HIS 172.A O no hydrogen 3.132 N/A THR 176.A N LYS 173.A O no hydrogen 2.912 N/A THR 176.A OG1 LYS 173.A O no hydrogen 2.661 N/A LYS 177.A N LEU 174.A O no hydrogen 2.965 N/A VAL 178.A N LEU 175.A O no hydrogen 3.258 N/A ALA 181.A N VAL 178.A O no hydrogen 3.206 N/A LEU 184.A N ALA 181.A O no hydrogen 3.250 N/A THR 185.A N GLY 182.A O no hydrogen 3.238 N/A THR 185.A OG1 ASP 94.A OD2 no hydrogen 2.774 N/A SER 186.A OG SER 22.A OG no hydrogen 2.775 N/A VAL 187.A N LEU 183.A O no hydrogen 2.853 N/A VAL 188.A N LEU 184.A O no hydrogen 2.846 N/A GLY 189.A N THR 185.A O no hydrogen 3.128 N/A ALA 190.A N SER 186.A O no hydrogen 3.011 N/A PHE 191.A N VAL 187.A O no hydrogen 3.035 N/A CYS 192.A N VAL 188.A O no hydrogen 2.928 N/A CYS 192.A SG VAL 188.A O no hydrogen 3.378 N/A ALA 193.A N GLY 189.A O no hydrogen 3.088 N/A VAL 194.A N PHE 191.A O no hydrogen 3.113 N/A GLU 195.A N PHE 191.A O no hydrogen 2.863 N/A ASN 197.A N GLU 195.A OE2 no hydrogen 2.773 N/A LEU 199.A N ASN 197.A OD1 no hydrogen 2.839 N/A ALA 201.A N ASN 197.A O no hydrogen 3.025 N/A ALA 202.A N PRO 198.A O no hydrogen 3.020 N/A ILE 203.A N LEU 199.A O no hydrogen 3.045 N/A ALA 204.A N PHE 200.A O no hydrogen 2.825 N/A ALA 205.A N ALA 201.A O no hydrogen 2.807 N/A ILE 206.A N ALA 202.A O no hydrogen 2.948 N/A SER 207.A N ILE 203.A O no hydrogen 2.976 N/A SER 207.A OG ILE 203.A O no hydrogen 2.777 N/A SER 208.A N ALA 204.A O no hydrogen 3.003 N/A SER 208.A OG ALA 204.A O no hydrogen 2.791 N/A TYR 209.A N ALA 205.A O no hydrogen 2.962 N/A GLY 210.A N ILE 206.A O no hydrogen 2.900 N/A VAL 211.A N SER 207.A O no hydrogen 2.939 N/A ALA 212.A N SER 208.A O no hydrogen 3.086 N/A ALA 213.A N TYR 209.A O no hydrogen 2.901 N/A GLN 214.A N GLY 210.A O no hydrogen 2.911 N/A LEU 215.A N VAL 211.A O no hydrogen 2.962 N/A ALA 216.A N ALA 212.A O no hydrogen 2.897 N/A ALA 217.A N ALA 213.A O no hydrogen 2.948 N/A GLN 218.A N GLN 214.A O no hydrogen 3.009 N/A GLN 218.A NE2 GLN 214.A O no hydrogen 3.415 N/A GLN 219.A N LEU 215.A O no hydrogen 3.314 N/A THR 220.A N ALA 216.A O no hydrogen 2.932 N/A THR 220.A OG1 ALA 216.A O no hydrogen 2.962 N/A ALA 221.A N ALA 217.A O no hydrogen 3.152 N/A LYS 223.A N THR 220.A O no hydrogen 2.858 N/A LYS 223.A NZ GLN 219.A O no hydrogen 3.405 N/A PHE 228.A N GLY 224.A O no hydrogen 3.190 N/A GLN 229.A N PRO 225.A O no hydrogen 3.061 N/A ILE 230.A N GLY 226.A O no hydrogen 3.436 N/A GLU 231.A N SER 227.A O no hydrogen 2.845 N/A LEU 232.A N PHE 228.A O no hydrogen 2.755 N/A LEU 233.A N GLN 229.A O no hydrogen 3.400 N/A ASN 234.A N ILE 230.A O no hydrogen 3.063 N/A ASN 234.A ND2 GLU 231.A OE2 no hydrogen 2.780 N/A LYS 235.A N GLU 231.A O no hydrogen 2.800 N/A LYS 235.A NZ GLU 231.A OE1 no hydrogen 3.182 N/A LEU 236.A N LEU 232.A O no hydrogen 2.974 N/A SER 237.A N ASN 234.A O no hydrogen 3.061 N/A THR 238.A N ASN 234.A O no hydrogen 2.915 N/A THR 238.A OG1 ASN 234.A O no hydrogen 3.252 N/A VAL 239.A N LYS 235.A O no hydrogen 2.793 N/A THR 240.A N ASP 243.A OD2 no hydrogen 3.041 N/A ASP 243.A N THR 240.A OG1 no hydrogen 3.072 N/A VAL 244.A N THR 240.A O no hydrogen 3.156 N/A GLN 245.A N GLU 241.A O no hydrogen 2.946 N/A GLU 246.A N GLN 242.A O no hydrogen 2.990 N/A TRP 247.A N ASP 243.A O no hydrogen 2.932 N/A ALA 248.A N VAL 244.A O no hydrogen 2.942 N/A THR 249.A N ASN 170.A OD1 no hydrogen 2.939 N/A GLU 251.A N THR 167.A O no hydrogen 2.842 N/A ARG 252.A NH2 HIS 164.A ND1 no hydrogen 3.254 N/A VAL 253.A N VAL 165.A O no hydrogen 2.790 N/A