Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xkd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 67.A OD2 no hydrogen 3.557 N/A SER 1.A OG TYR 6.A OH no hydrogen 3.399 N/A SER 1.A OG ASP 67.A OD2 no hydrogen 2.963 N/A ARG 2.A N ASP 5.A OD2 no hydrogen 3.155 N/A ARG 2.A NH2 GLU 4.A OE1 no hydrogen 3.085 N/A ASP 5.A N ARG 2.A O no hydrogen 2.880 N/A TYR 6.A N ALA 3.A O no hydrogen 2.985 N/A TYR 6.A OH SER 1.A OG no hydrogen 3.399 N/A GLU 7.A N ARG 21.A O no hydrogen 2.880 N/A LEU 9.A N LYS 19.A O no hydrogen 2.922 N/A ILE 12.A N CYS 17.A O no hydrogen 2.754 N/A GLY 13.A N CYS 17.A O no hydrogen 3.293 N/A ARG 16.A NE GLU 33.A OE1 no hydrogen 3.076 N/A ARG 16.A NH2 GLU 33.A OE2 no hydrogen 3.179 N/A CYS 17.A N GLY 13.A O no hydrogen 2.757 N/A GLN 18.A N TRP 31.A O no hydrogen 2.839 N/A GLN 18.A NE2 THR 11.A OG1 no hydrogen 2.980 N/A LYS 19.A N TYR 10.A O no hydrogen 2.852 N/A LYS 19.A NZ TYR 10.A OH no hydrogen 3.206 N/A LYS 19.A NZ TYR 83.A OH no hydrogen 3.461 N/A ILE 20.A N LEU 29.A O no hydrogen 2.957 N/A ARG 21.A N GLU 7.A O no hydrogen 2.948 N/A ARG 22.A N LYS 27.A O no hydrogen 2.881 N/A ARG 22.A NE ASP 25.A OD1 no hydrogen 2.976 N/A ARG 22.A NH2 ASP 25.A OD2 no hydrogen 2.939 N/A LYS 23.A N ASP 5.A O no hydrogen 3.047 N/A SER 24.A OG ASP 25.A OD1 no hydrogen 3.476 N/A LYS 27.A N ASP 25.A OD1 no hydrogen 3.206 N/A LEU 29.A N ILE 20.A O no hydrogen 2.880 N/A VAL 30.A N MET 81.A O no hydrogen 2.946 N/A TRP 31.A N GLN 18.A O no hydrogen 2.913 N/A TRP 31.A NE1 GLN 18.A OE1 no hydrogen 2.965 N/A LYS 32.A N ILE 79.A O no hydrogen 2.982 N/A GLU 33.A N ARG 16.A O no hydrogen 2.864 N/A LEU 34.A N LEU 77.A O no hydrogen 2.786 N/A TYR 36.A N THR 75.A O no hydrogen 3.122 N/A GLY 37.A N ASP 35.A OD1 no hydrogen 2.896 N/A MET 39.A N TYR 36.A O no hydrogen 3.047 N/A GLU 43.A N THR 40.A OG1 no hydrogen 3.180 N/A LYS 44.A N THR 40.A O no hydrogen 2.937 N/A GLN 45.A N GLU 41.A O no hydrogen 3.032 N/A GLN 45.A NE2 GLN 45.A O no hydrogen 2.840 N/A MET 46.A N ALA 42.A O no hydrogen 3.230 N/A LEU 47.A N GLU 43.A O no hydrogen 2.888 N/A VAL 48.A N LYS 44.A O no hydrogen 2.884 N/A SER 49.A N GLN 45.A O no hydrogen 3.249 N/A SER 49.A OG MET 46.A O no hydrogen 2.762 N/A GLU 50.A N MET 46.A O no hydrogen 3.027 N/A VAL 51.A N LEU 47.A O no hydrogen 2.917 N/A ASN 52.A N VAL 48.A O no hydrogen 2.961 N/A LEU 53.A N SER 49.A O no hydrogen 3.062 N/A LEU 54.A N GLU 50.A O no hydrogen 2.979 N/A ARG 55.A N VAL 51.A O no hydrogen 3.064 N/A ARG 55.A N ASN 52.A O no hydrogen 3.116 N/A GLU 56.A N LEU 53.A O no hydrogen 3.066 N/A LEU 57.A N LEU 54.A O no hydrogen 3.450 N/A LYS 58.A NZ ARG 55.A O no hydrogen 2.892 N/A ASN 61.A N HIS 59.A ND1 no hydrogen 2.930 N/A ASN 61.A ND2 GLN 114.A OE1 no hydrogen 2.932 N/A ASN 61.A ND2 VAL 141.A O no hydrogen 2.864 N/A ILE 62.A N HIS 59.A O no hydrogen 3.145 N/A VAL 63.A N LEU 143.A O no hydrogen 2.833 N/A ARG 64.A N GLU 82.A OE2 no hydrogen 2.646 N/A ARG 64.A NH2 ARG 55.A O no hydrogen 3.355 N/A TYR 66.A N VAL 80.A O no hydrogen 2.668 N/A ASP 67.A N VAL 80.A O no hydrogen 3.328 N/A ARG 68.A N ASP 67.A OD1 no hydrogen 2.717 N/A ILE 69.A N TYR 78.A O no hydrogen 2.803 N/A ASP 71.A N THR 76.A O no hydrogen 3.077 N/A ASN 74.A N ASP 71.A O no hydrogen 3.051 N/A ASN 74.A N ASP 71.A OD2 no hydrogen 3.362 N/A THR 75.A OG1 ASP 35.A OD1 no hydrogen 2.987 N/A THR 75.A OG1 ASN 74.A O no hydrogen 2.605 N/A THR 76.A N ASP 71.A O no hydrogen 3.344 N/A THR 76.A OG1 ASN 74.A O no hydrogen 3.141 N/A LEU 77.A N LEU 34.A O no hydrogen 2.725 N/A TYR 78.A N ILE 69.A O no hydrogen 2.920 N/A ILE 79.A N LYS 32.A O no hydrogen 2.907 N/A VAL 80.A N ASP 67.A O no hydrogen 2.973 N/A MET 81.A N VAL 30.A O no hydrogen 2.841 N/A GLU 82.A N ARG 64.A O no hydrogen 3.033 N/A GLY 86.A N LEU 135.A O no hydrogen 2.728 N/A GLY 87.A N CYS 84.A O no hydrogen 3.054 N/A LEU 89.A N VAL 133.A O no hydrogen 2.905 N/A SER 91.A N ASP 88.A OD1 no hydrogen 3.115 N/A SER 91.A OG ASP 88.A OD1 no hydrogen 2.759 N/A ILE 93.A N LEU 89.A O no hydrogen 3.047 N/A THR 94.A N ALA 90.A O no hydrogen 3.046 N/A THR 94.A OG1 ALA 90.A O no hydrogen 3.117 N/A LYS 95.A N SER 91.A O no hydrogen 2.940 N/A GLY 96.A N VAL 92.A O no hydrogen 3.069 N/A THR 97.A N ILE 93.A O no hydrogen 3.017 N/A THR 97.A OG1 ILE 93.A O no hydrogen 3.137 N/A LYS 98.A N THR 94.A O no hydrogen 3.197 N/A GLU 99.A N LYS 95.A O no hydrogen 3.143 N/A GLU 99.A N GLY 96.A O no hydrogen 3.183 N/A GLN 101.A N GLY 96.A O no hydrogen 3.087 N/A GLN 101.A NE2 TYR 102.A O no hydrogen 3.354 N/A VAL 108.A N ASP 104.A O no hydrogen 3.228 N/A LEU 109.A N GLU 105.A O no hydrogen 2.909 N/A ARG 110.A N GLU 106.A O no hydrogen 3.003 N/A VAL 111.A N PHE 107.A O no hydrogen 3.026 N/A MET 112.A N VAL 108.A O no hydrogen 2.874 N/A THR 113.A N LEU 109.A O no hydrogen 2.935 N/A THR 113.A OG1 LEU 109.A O no hydrogen 2.900 N/A GLN 114.A N ARG 110.A O no hydrogen 2.887 N/A GLN 114.A NE2 GLN 139.A O no hydrogen 3.496 N/A GLN 114.A NE2 HIS 247.A O no hydrogen 2.864 N/A LEU 115.A N VAL 111.A O no hydrogen 2.909 N/A THR 116.A N MET 112.A O no hydrogen 3.030 N/A THR 116.A OG1 MET 112.A O no hydrogen 2.606 N/A LEU 117.A N THR 113.A O no hydrogen 3.060 N/A ALA 118.A N GLN 114.A O no hydrogen 2.963 N/A LEU 119.A N LEU 115.A O no hydrogen 2.883 N/A LYS 120.A N THR 116.A O no hydrogen 2.903 N/A GLU 121.A N LEU 117.A O no hydrogen 3.077 N/A CYS 122.A N ALA 118.A O no hydrogen 2.976 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.451 N/A HIS 123.A N LEU 119.A O no hydrogen 2.829 N/A HIS 123.A NE2 ASP 170.A OD2 no hydrogen 2.731 N/A ARG 124.A N LYS 120.A O no hydrogen 3.061 N/A ARG 124.A NE GLU 121.A OE1 no hydrogen 3.143 N/A ARG 124.A NH2 GLU 121.A OE2 no hydrogen 2.699 N/A ARG 125.A N GLU 121.A O no hydrogen 3.147 N/A SER 126.A N HIS 123.A O no hydrogen 3.153 N/A SER 126.A OG CYS 122.A O no hydrogen 3.309 N/A LYS 129.A NZ ASN 132.A OD1 no hydrogen 2.706 N/A ASN 132.A N LYS 129.A O no hydrogen 2.975 N/A VAL 133.A N PRO 130.A O no hydrogen 3.136 N/A PHE 134.A N LYS 142.A O no hydrogen 2.659 N/A LEU 135.A N GLY 87.A O no hydrogen 2.999 N/A ASP 136.A N ASN 140.A O no hydrogen 3.212 N/A LYS 138.A N ASP 136.A OD1 no hydrogen 2.784 N/A LYS 138.A NZ HIS 251.A O no hydrogen 2.650 N/A ASN 140.A N ASP 136.A OD1 no hydrogen 2.861 N/A ASN 140.A ND2 ASP 136.A OD2 no hydrogen 2.703 N/A ASN 140.A ND2 HIS 250.A O no hydrogen 3.095 N/A VAL 141.A N GLN 114.A OE1 no hydrogen 2.648 N/A LYS 142.A N PHE 134.A O no hydrogen 2.728 N/A LYS 142.A NZ PRO 60.A O no hydrogen 3.186 N/A LYS 142.A NZ GLU 82.A OE1 no hydrogen 2.958 N/A LYS 142.A NZ GLU 82.A OE2 no hydrogen 3.342 N/A LEU 143.A N ASN 61.A O no hydrogen 2.930 N/A GLY 144.A N ASN 132.A O no hydrogen 2.917 N/A TYR 153.A N THR 151.A O no hydrogen 2.792 N/A TYR 154.A OH GLU 180.A OE1 no hydrogen 2.508 N/A MET 155.A N PRO 152.A O no hydrogen 3.264 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.817 N/A GLN 159.A N SER 156.A OG no hydrogen 3.220 N/A GLN 159.A NE2 SER 164.A O no hydrogen 2.625 N/A GLN 159.A NE2 SER 169.A OG no hydrogen 3.138 N/A MET 160.A N SER 156.A O no hydrogen 2.994 N/A MET 160.A N PRO 157.A O no hydrogen 3.307 N/A ASN 161.A N GLU 158.A O no hydrogen 3.082 N/A ARG 162.A N GLU 158.A O no hydrogen 2.972 N/A SER 164.A N GLN 159.A OE1 no hydrogen 3.166 N/A ASN 166.A ND2 ASP 228.A OD1 no hydrogen 2.915 N/A LYS 168.A N ASN 166.A OD1 no hydrogen 3.124 N/A LYS 168.A NZ ASP 228.A O no hydrogen 3.247 N/A LYS 168.A NZ ARG 231.A O no hydrogen 2.889 N/A SER 169.A N ASN 166.A O no hydrogen 2.927 N/A SER 169.A OG GLU 158.A OE2 no hydrogen 2.880 N/A ASP 170.A N GLU 167.A O no hydrogen 3.173 N/A ILE 171.A N GLU 167.A O no hydrogen 3.387 N/A TRP 172.A N LYS 168.A O no hydrogen 3.182 N/A SER 173.A N SER 169.A O no hydrogen 3.172 N/A SER 173.A OG TYR 154.A O no hydrogen 3.300 N/A SER 173.A OG SER 169.A O no hydrogen 3.268 N/A LEU 174.A N ASP 170.A O no hydrogen 2.913 N/A GLY 175.A N ILE 171.A O no hydrogen 2.848 N/A CYS 176.A N TRP 172.A O no hydrogen 2.968 N/A CYS 176.A SG TRP 172.A O no hydrogen 3.562 N/A LEU 177.A N SER 173.A O no hydrogen 2.945 N/A LEU 178.A N LEU 174.A O no hydrogen 2.821 N/A TYR 179.A N GLY 175.A O no hydrogen 2.858 N/A TYR 179.A OH ARG 206.A O no hydrogen 2.556 N/A GLU 180.A N CYS 176.A O no hydrogen 3.000 N/A LEU 181.A N LEU 177.A O no hydrogen 3.024 N/A CYS 182.A N LEU 178.A O no hydrogen 3.102 N/A CYS 182.A SG LEU 178.A O no hydrogen 3.513 N/A ALA 183.A N TYR 179.A O no hydrogen 2.760 N/A LEU 184.A N GLU 180.A O no hydrogen 2.664 N/A PHE 191.A N GLU 195.A OE1.B no hydrogen 3.070 N/A SER 192.A OG GLU 195.A OE1.A no hydrogen 2.680 N/A GLU 195.A N SER 192.A OG no hydrogen 3.357 N/A LEU 196.A N SER 192.A O no hydrogen 2.918 N/A ALA 197.A N GLN 193.A O no hydrogen 2.859 N/A GLY 198.A N LYS 194.A O no hydrogen 3.098 N/A LYS 199.A N GLU 195.A O no hydrogen 3.143 N/A LYS 199.A NZ THR 189.A O no hydrogen 2.668 N/A ILE 200.A N LEU 196.A O no hydrogen 2.921 N/A ARG 201.A N ALA 197.A O no hydrogen 2.916 N/A GLU 202.A N GLY 198.A O no hydrogen 3.143 N/A GLY 203.A N LYS 199.A O no hydrogen 3.079 N/A LYS 204.A NZ GLU 202.A OE2 no hydrogen 3.429 N/A ARG 207.A NH1 ILE 208.A O no hydrogen 2.940 N/A ARG 207.A NH1 TYR 212.A O no hydrogen 3.349 N/A ARG 207.A NH2 TYR 212.A O no hydrogen 3.115 N/A ARG 207.A NH2 ASP 214.A OD1 no hydrogen 2.790 N/A TYR 212.A N PRO 209.A O no hydrogen 2.969 N/A TYR 212.A OH LEU 103.A O no hydrogen 2.610 N/A SER 213.A N GLU 105.A OE1 no hydrogen 2.940 N/A SER 213.A OG GLU 105.A OE2 no hydrogen 2.703 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.763 N/A LEU 216.A N SER 213.A OG no hydrogen 3.168 N/A ASN 217.A N SER 213.A O no hydrogen 2.983 N/A GLU 218.A N ASP 214.A O no hydrogen 2.874 N/A ILE 219.A N GLU 215.A O no hydrogen 3.193 N/A ILE 220.A N LEU 216.A O no hydrogen 3.056 N/A THR 221.A N ASN 217.A O no hydrogen 2.793 N/A THR 221.A OG1 ASN 217.A O no hydrogen 2.851 N/A ARG 222.A N GLU 218.A O no hydrogen 2.851 N/A MET 223.A N ILE 219.A O no hydrogen 3.055 N/A LEU 224.A N ILE 220.A O no hydrogen 3.237 N/A LEU 224.A N THR 221.A O no hydrogen 3.033 N/A ASN 225.A N ARG 222.A O no hydrogen 3.185 N/A LYS 227.A N ASN 225.A OD1 no hydrogen 2.993 N/A HIS 230.A N LYS 227.A O no hydrogen 2.972 N/A ARG 231.A N ASP 228.A O no hydrogen 3.271 N/A ARG 231.A NE ASN 225.A O no hydrogen 2.788 N/A ARG 231.A NH1 GLU 158.A OE2 no hydrogen 2.665 N/A ARG 231.A NH1 LYS 168.A O no hydrogen 2.822 N/A ARG 231.A NH2 GLU 158.A OE1 no hydrogen 2.897 N/A ARG 231.A NH2 GLU 158.A OE2 no hydrogen 3.538 N/A ARG 231.A NH2 ASN 225.A O no hydrogen 3.218 N/A SER 233.A N GLU 236.A OE2 no hydrogen 2.890 N/A GLU 235.A N GLU 235.A OE2 no hydrogen 2.691 N/A GLU 236.A N SER 233.A OG no hydrogen 2.911 N/A ILE 237.A N SER 233.A O no hydrogen 2.920 N/A LEU 238.A N VAL 234.A O no hydrogen 3.083 N/A GLU 239.A N GLU 235.A O no hydrogen 3.180 N/A ASN 240.A N ILE 237.A O no hydrogen 2.968 N/A LEU 242.A N ASN 240.A OD1 no hydrogen 2.874 N/A ILE 243.A N ASN 240.A O no hydrogen 2.980 N/A LEU 244.A N HIS 247.A ND1 no hydrogen 3.125 N/A HIS 246.A NE2 GLU 106.A OE2 no hydrogen 2.756 N/A HIS 247.A N LEU 244.A O no hydrogen 3.132 N/A HIS 247.A NE2 GLU 106.A OE1 no hydrogen 2.845 N/A HIS 248.A N GLU 245.A O no hydrogen 2.958 N/A HIS 248.A ND1 LEU 244.A O no hydrogen 2.925 N/A HIS 250.A N ASN 140.A OD1 no hydrogen 2.980 N/A HIS 250.A NE2 GLU 245.A OE2 no hydrogen 2.903 N/A