Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kcx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N LEU 1.A O no hydrogen 3.224 N/A GLN 6.A N ILE 23.A O no hydrogen 2.934 N/A GLY 8.A N SER 21.A O no hydrogen 2.671 N/A LEU 11.A N VAL 19.A O no hydrogen 2.650 N/A GLY 12.A N VAL 19.A O no hydrogen 3.232 N/A GLY 14.A N GLY 17.A O no hydrogen 2.738 N/A GLY 17.A N GLY 14.A O no hydrogen 2.721 N/A SER 18.A N HIS 35.A O no hydrogen 3.131 N/A VAL 19.A N GLY 12.A O no hydrogen 2.753 N/A TYR 20.A N ILE 33.A O no hydrogen 2.694 N/A SER 21.A N PRO 9.A O no hydrogen 2.834 N/A GLY 22.A N VAL 31.A O no hydrogen 2.862 N/A ILE 23.A N GLN 6.A O no hydrogen 2.969 N/A ARG 24.A N LEU 29.A O no hydrogen 2.826 N/A ARG 24.A NH1 ASP 27.A OD1 no hydrogen 3.016 N/A VAL 25.A N GLN 4.A O no hydrogen 2.844 N/A LEU 29.A N ASP 27.A OD1 no hydrogen 3.085 N/A VAL 31.A N GLY 22.A O no hydrogen 2.852 N/A ALA 32.A N LEU 87.A O no hydrogen 2.794 N/A ILE 33.A N TYR 20.A O no hydrogen 2.717 N/A LYS 34.A N LEU 85.A O no hydrogen 2.905 N/A LYS 34.A NZ GLU 56.A OE2 no hydrogen 2.523 N/A LYS 34.A NZ ASP 153.A OD1.A no hydrogen 3.257 N/A LYS 34.A NZ ASP 153.A OD1.B no hydrogen 2.914 N/A HIS 35.A N SER 18.A O no hydrogen 2.882 N/A VAL 36.A N PHE 83.A O no hydrogen 2.872 N/A LYS 38.A N ASP 81.A O no hydrogen 2.868 N/A LYS 38.A NZ GLU 78.A OE2 no hydrogen 2.866 N/A LYS 38.A NZ ARG 79.A O no hydrogen 2.667 N/A LYS 38.A NZ PRO 80.A O no hydrogen 2.875 N/A ILE 41.A N LYS 38.A O no hydrogen 3.168 N/A GLY 45.A N VAL 53.A O no hydrogen 2.732 N/A LEU 47.A N THR 51.A O no hydrogen 2.859 N/A GLY 50.A N LEU 47.A O no hydrogen 2.674 N/A VAL 53.A N GLY 45.A O no hydrogen 3.069 N/A MET 55.A N ASP 43.A O no hydrogen 3.286 N/A VAL 57.A N PRO 54.A O no hydrogen 2.882 N/A VAL 58.A N PRO 54.A O no hydrogen 3.422 N/A LEU 59.A N MET 55.A O no hydrogen 2.783 N/A LEU 60.A N GLU 56.A O no hydrogen 2.867 N/A LYS 61.A N VAL 57.A O no hydrogen 3.013 N/A LYS 62.A N VAL 58.A O no hydrogen 3.191 N/A VAL 63.A N LEU 59.A O no hydrogen 3.232 N/A VAL 63.A N LEU 60.A O no hydrogen 3.310 N/A SER 64.A OG LEU 60.A O no hydrogen 2.631 N/A ILE 71.A N LEU 151.A O no hydrogen 3.151 N/A ARG 72.A N GLU 88.A OE1 no hydrogen 2.859 N/A ARG 72.A NH2 SER 64.A O no hydrogen 3.369 N/A LEU 73.A N SER 64.A OG no hydrogen 2.962 N/A LEU 74.A N ILE 86.A O no hydrogen 2.758 N/A ASP 75.A N ILE 86.A O no hydrogen 3.363 N/A TRP 76.A N ASP 75.A OD1 no hydrogen 2.739 N/A PHE 77.A N VAL 84.A O no hydrogen 2.801 N/A ARG 79.A N SER 82.A O no hydrogen 2.711 N/A SER 82.A N ARG 79.A O no hydrogen 3.443 N/A PHE 83.A N VAL 36.A O no hydrogen 2.853 N/A VAL 84.A N PHE 77.A O no hydrogen 2.879 N/A LEU 85.A N LYS 34.A O no hydrogen 2.750 N/A ILE 86.A N ASP 75.A O no hydrogen 2.683 N/A LEU 87.A N ALA 32.A O no hydrogen 2.862 N/A GLU 88.A N ARG 72.A O no hydrogen 3.030 N/A ARG 89.A NE VAL 31.A O no hydrogen 2.707 N/A ARG 89.A NH2 GLY 22.A O no hydrogen 2.757 N/A GLN 94.A N ILE 142.A O no hydrogen 3.144 N/A LEU 96.A N ILE 140.A O no hydrogen 2.815 N/A PHE 97.A N ASP 137.A O no hydrogen 3.265 N/A ASP 98.A N ASP 95.A OD1 no hydrogen 2.623 N/A PHE 99.A N ASP 95.A O no hydrogen 3.001 N/A ILE 100.A N LEU 96.A O no hydrogen 2.859 N/A THR 101.A N PHE 97.A O no hydrogen 2.912 N/A THR 101.A OG1 PHE 97.A O no hydrogen 3.025 N/A GLU 102.A N ASP 98.A O no hydrogen 2.936 N/A ARG 103.A N PHE 99.A O no hydrogen 3.073 N/A ARG 103.A NH1 HIS 270.A O no hydrogen 2.995 N/A ARG 103.A NH2 HIS 270.A O no hydrogen 2.754 N/A GLY 104.A N ILE 100.A O no hydrogen 2.746 N/A LEU 106.A N MET 202.A O no hydrogen 2.887 N/A ALA 111.A N GLN 107.A O no hydrogen 2.800 N/A ARG 112.A N GLU 108.A O no hydrogen 2.693 N/A ARG 112.A NE TRP 256.A O no hydrogen 2.717 N/A ARG 112.A NH2 TRP 256.A O no hydrogen 3.440 N/A SER 113.A N GLU 109.A O no hydrogen 3.225 N/A SER 113.A OG THR 266.A OG1 no hydrogen 2.721 N/A PHE 114.A N LEU 110.A O no hydrogen 3.022 N/A PHE 115.A N ALA 111.A O no hydrogen 2.739 N/A TRP 116.A N ARG 112.A O no hydrogen 2.834 N/A GLN 117.A N SER 113.A O no hydrogen 3.163 N/A GLN 117.A NE2 GLY 147.A O no hydrogen 2.991 N/A VAL 118.A N PHE 114.A O no hydrogen 2.980 N/A LEU 119.A N PHE 115.A O no hydrogen 2.909 N/A GLU 120.A N TRP 116.A O no hydrogen 2.978 N/A ALA 121.A N GLN 117.A O no hydrogen 3.073 N/A VAL 122.A N VAL 118.A O no hydrogen 2.835 N/A ARG 123.A N LEU 119.A O no hydrogen 2.899 N/A ARG 123.A NH1 GLN 252.A OE1 no hydrogen 2.816 N/A HIS 124.A N GLU 120.A O no hydrogen 3.105 N/A HIS 124.A NE2 VAL 63.A O no hydrogen 3.048 N/A CYS 125.A N ALA 121.A O no hydrogen 3.091 N/A CYS 125.A SG ALA 121.A O no hydrogen 3.339 N/A HIS 126.A N VAL 122.A O no hydrogen 2.954 N/A ASN 127.A N.A ARG 123.A O no hydrogen 2.772 N/A ASN 127.A N.B ARG 123.A O no hydrogen 2.763 N/A CYS 128.A N HIS 124.A O no hydrogen 3.029 N/A CYS 128.A N CYS 125.A O no hydrogen 3.011 N/A CYS 128.A SG LYS 62.A O no hydrogen 3.485 N/A CYS 128.A SG HIS 124.A O no hydrogen 3.346 N/A GLY 129.A N HIS 126.A O no hydrogen 2.908 N/A VAL 130.A N CYS 125.A O no hydrogen 2.814 N/A LEU 131.A N ALA 158.A O no hydrogen 2.831 N/A HIS 132.A NE2 ILE 152.A O no hydrogen 3.018 N/A ARG 133.A NE TYR 185.A OH no hydrogen 3.133 N/A ARG 133.A NH1 SER 156.A O no hydrogen 3.154 N/A ARG 133.A NH1 GLY 157.A O no hydrogen 3.211 N/A ARG 133.A NH1 ASP 167.A OD2 no hydrogen 3.400 N/A ARG 133.A NH2 ASP 167.A OD2 no hydrogen 2.588 N/A ARG 133.A NH2 TYR 185.A OH no hydrogen 3.157 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 2.892 N/A LYS 136.A NZ GLU 138.A OE1 no hydrogen 3.273 N/A LYS 136.A NZ THR 171.A OG1 no hydrogen 2.682 N/A ASN 139.A N LYS 136.A O no hydrogen 2.915 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.842 N/A ASN 139.A ND2 ASP 134.A OD2 no hydrogen 2.886 N/A ILE 140.A N ASP 137.A O no hydrogen 3.303 N/A LEU 141.A N LYS 150.A O no hydrogen 2.760 N/A ILE 142.A N GLN 94.A O no hydrogen 2.798 N/A ASP 143.A N GLU 148.A O no hydrogen 2.809 N/A LEU 144.A N PRO 92.A O no hydrogen 3.235 N/A ASN 145.A N ASP 143.A OD1 no hydrogen 3.087 N/A ARG 146.A N ASP 143.A OD1 no hydrogen 3.144 N/A GLY 147.A N ASP 143.A O no hydrogen 2.789 N/A LEU 149.A N GLN 117.A OE1 no hydrogen 2.869 N/A LYS 150.A N LEU 141.A O no hydrogen 2.785 N/A LEU 151.A N GLY 69.A O no hydrogen 2.860 N/A ILE 152.A N ASN 139.A O no hydrogen 2.920 N/A GLY 155.A N ASP 153.A OD1.A no hydrogen 3.361 N/A SER 156.A OG ASP 169.A O.B no hydrogen 3.311 N/A GLY 157.A N PHE 154.A O no hydrogen 2.985 N/A ALA 158.A N LEU 131.A O no hydrogen 2.916 N/A LEU 160.A N GLY 129.A O no hydrogen 2.790 N/A LYS 161.A N TYR 165.A OH no hydrogen 2.968 N/A LYS 161.A NZ VAL 164.A O no hydrogen 3.158 N/A TYR 165.A N TYR 185.A O no hydrogen 2.751 N/A TYR 165.A OH LEU 159.A O no hydrogen 2.729 N/A THR 171.A N ASP 134.A OD1 no hydrogen 3.008 N/A THR 171.A OG1 ASP 134.A OD1 no hydrogen 2.707 N/A ARG 172.A NH1 ASP 212.A OD1 no hydrogen 2.633 N/A TYR 174.A N THR 171.A O no hydrogen 3.034 N/A SER 175.A N ARG 172.A O no hydrogen 2.729 N/A SER 175.A OG ARG 172.A O no hydrogen 2.723 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.725 N/A TRP 179.A N PRO 176.A O no hydrogen 3.029 N/A ILE 180.A N PRO 176.A O no hydrogen 3.194 N/A ARG 181.A N PRO 177.A O no hydrogen 2.914 N/A TYR 182.A N GLU 178.A O no hydrogen 2.973 N/A HIS 183.A N TRP 179.A O no hydrogen 2.879 N/A TYR 185.A N TYR 165.A O no hydrogen 3.098 N/A TYR 185.A OH ASP 167.A O no hydrogen 2.663 N/A ARG 188.A NH1.A ASP 162.A OD1 no hydrogen 2.699 N/A ARG 188.A NH2.A ASP 162.A OD1 no hydrogen 2.622 N/A ALA 190.A N HIS 186.A O no hydrogen 3.114 N/A ALA 191.A N GLY 187.A O no hydrogen 2.980 N/A VAL 192.A N ARG 188.A O.A no hydrogen 2.975 N/A VAL 192.A N ARG 188.A O.B no hydrogen 2.827 N/A TRP 193.A N SER 189.A O no hydrogen 3.091 N/A SER 194.A N ALA 190.A O no hydrogen 3.183 N/A SER 194.A OG ALA 191.A O no hydrogen 2.725 N/A LEU 195.A N ALA 191.A O no hydrogen 2.972 N/A GLY 196.A N VAL 192.A O no hydrogen 2.912 N/A ILE 197.A N TRP 193.A O no hydrogen 3.040 N/A LEU 198.A N SER 194.A O no hydrogen 2.952 N/A LEU 199.A N LEU 195.A O no hydrogen 2.826 N/A TYR 200.A N GLY 196.A O no hydrogen 2.996 N/A TYR 200.A OH PHE 221.A O no hydrogen 2.554 N/A ASP 201.A N ILE 197.A O no hydrogen 2.799 N/A MET 202.A N LEU 198.A O no hydrogen 2.938 N/A VAL 203.A N LEU 199.A O no hydrogen 3.102 N/A CYS 204.A N TYR 200.A O no hydrogen 2.874 N/A GLY 205.A N ASP 201.A O no hydrogen 2.811 N/A ILE 207.A N ASP 206.A OD1 no hydrogen 2.723 N/A GLU 210.A N GLU 214.A OE2 no hydrogen 2.675 N/A HIS 211.A N GLU 214.A OE2 no hydrogen 2.728 N/A GLU 214.A N HIS 211.A O no hydrogen 2.776 N/A ILE 215.A N HIS 211.A O no hydrogen 3.072 N/A ILE 216.A N ASP 212.A O no hydrogen 2.965 N/A ARG 217.A N GLU 213.A O no hydrogen 3.147 N/A GLY 218.A N GLU 214.A O no hydrogen 2.850 N/A ARG 223.A NE TYR 200.A OH no hydrogen 3.203 N/A SER 227.A N GLU 108.A OE2 no hydrogen 2.713 N/A SER 227.A OG GLU 108.A OE1 no hydrogen 2.688 N/A SER 227.A OG GLU 108.A OE2 no hydrogen 3.352 N/A CYS 230.A N SER 227.A OG no hydrogen 3.320 N/A GLN 231.A N SER 227.A O no hydrogen 2.957 N/A GLN 231.A NE2 VAL 226.A O no hydrogen 3.201 N/A HIS 232.A N SER 228.A O no hydrogen 2.859 N/A HIS 232.A ND1 HIS 254.A NE2 no hydrogen 2.806 N/A LEU 233.A N GLU 229.A O no hydrogen 3.004 N/A ILE 234.A N CYS 230.A O no hydrogen 2.946 N/A ARG 235.A N GLN 231.A O no hydrogen 3.013 N/A TRP 236.A N HIS 232.A O no hydrogen 2.977 N/A CYS 237.A N LEU 233.A O no hydrogen 2.938 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.461 N/A LEU 238.A N ILE 234.A O no hydrogen 2.954 N/A ALA 239.A N TRP 236.A O no hydrogen 3.167 N/A ASP 244.A N ARG 241.A O no hydrogen 2.850 N/A ARG 245.A N PRO 242.A O no hydrogen 3.096 N/A ARG 245.A NE ALA 239.A O no hydrogen 2.731 N/A ARG 245.A NH1 GLU 178.A OE2 no hydrogen 2.828 N/A ARG 245.A NH1 SER 189.A O no hydrogen 3.023 N/A ARG 245.A NH2 GLU 178.A OE1 no hydrogen 2.839 N/A ARG 245.A NH2 ALA 239.A O no hydrogen 3.063 N/A THR 247.A N GLU 250.A OE1 no hydrogen 2.938 N/A GLU 250.A N THR 247.A OG1 no hydrogen 3.170 N/A ILE 251.A N THR 247.A O no hydrogen 3.000 N/A GLN 252.A N PHE 248.A O no hydrogen 3.024 N/A GLN 252.A NE2 GLU 120.A OE2 no hydrogen 2.849 N/A ASN 253.A N GLU 249.A O no hydrogen 2.910 N/A HIS 254.A N ILE 251.A O no hydrogen 3.102 N/A HIS 254.A NE2 HIS 232.A ND1 no hydrogen 2.806 N/A TRP 256.A N HIS 254.A ND1 no hydrogen 2.944 N/A TRP 256.A NE1 GLU 108.A OE1 no hydrogen 2.752 N/A MET 257.A N HIS 254.A O no hydrogen 2.959 N/A GLN 258.A N PRO 255.A O no hydrogen 3.350 N/A GLN 258.A NE2 GLN 252.A O no hydrogen 3.211 N/A GLN 258.A NE2 HIS 254.A O no hydrogen 2.955 N/A LEU 262.A N GLU 265.A OE1 no hydrogen 2.810 N/A GLN 264.A NE2 ASN 145.A O no hydrogen 3.562 N/A THR 266.A N LEU 262.A O no hydrogen 2.912 N/A THR 266.A OG1 SER 113.A OG no hydrogen 2.721 N/A THR 266.A OG1 LEU 262.A O no hydrogen 2.920 N/A ALA 267.A N PRO 263.A O no hydrogen 2.891 N/A GLU 268.A N GLN 264.A O no hydrogen 2.994 N/A ILE 269.A N GLU 265.A O no hydrogen 2.897 N/A HIS 270.A N THR 266.A O no hydrogen 2.836 N/A HIS 270.A NE2 GLU 109.A OE1 no hydrogen 2.694 N/A LEU 271.A N ALA 267.A O no hydrogen 2.850 N/A