Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1cki_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N TYR 9.A O no hydrogen 2.793 N/A TYR 9.A N VAL 5.A O no hydrogen 3.314 N/A ARG 10.A N THR 27.A O no hydrogen 2.807 N/A LEU 11.A N LEU 3.A O no hydrogen 3.306 N/A GLY 12.A N LEU 25.A O no hydrogen 2.677 N/A GLY 16.A N ILE 23.A O no hydrogen 3.240 N/A GLY 18.A N GLY 21.A O no hydrogen 2.608 N/A SER 19.A OG ASP 149.A OD1 no hydrogen 2.814 N/A ILE 23.A N GLY 16.A O no hydrogen 2.703 N/A TYR 24.A N ILE 37.A O no hydrogen 2.761 N/A LEU 25.A N ARG 13.A O no hydrogen 2.870 N/A GLY 26.A N VAL 35.A O no hydrogen 3.008 N/A THR 27.A N ARG 10.A O no hydrogen 2.742 N/A ASP 28.A N GLU 33.A O no hydrogen 2.824 N/A ILE 29.A N ARG 8.A O no hydrogen 2.822 N/A ALA 31.A N ASP 28.A O no hydrogen 2.939 N/A GLU 33.A N ASP 28.A O no hydrogen 3.412 N/A VAL 35.A N GLY 26.A O no hydrogen 2.757 N/A ALA 36.A N MET 82.A O no hydrogen 2.875 N/A ILE 37.A N TYR 24.A O no hydrogen 2.782 N/A LYS 38.A N MET 80.A O no hydrogen 2.724 N/A LYS 38.A NZ GLU 52.A OE1 no hydrogen 2.892 N/A LYS 38.A NZ GLU 52.A OE2 no hydrogen 3.500 N/A LEU 39.A N ASP 22.A O no hydrogen 3.386 N/A GLU 40.A N ASN 78.A O no hydrogen 3.064 N/A VAL 42.A N ASP 76.A O no hydrogen 2.877 N/A THR 44.A OG1 VAL 42.A O no hydrogen 3.323 N/A LYS 45.A N LYS 43.A O no hydrogen 2.561 N/A GLN 48.A N GLU 40.A OE2 no hydrogen 3.079 N/A LEU 49.A N GLU 40.A OE2 no hydrogen 3.095 N/A HIS 50.A NE2 PRO 47.A O no hydrogen 2.709 N/A ILE 51.A N GLN 48.A O no hydrogen 2.638 N/A GLU 52.A N GLN 48.A O no hydrogen 3.223 N/A SER 53.A N LEU 49.A O no hydrogen 3.083 N/A LYS 54.A N HIS 50.A O no hydrogen 3.228 N/A LYS 54.A NZ HIS 50.A O no hydrogen 3.089 N/A ILE 55.A N ILE 51.A O no hydrogen 3.129 N/A TYR 56.A N GLU 52.A O no hydrogen 2.968 N/A LYS 57.A N SER 53.A O no hydrogen 2.983 N/A MET 58.A N LYS 54.A O no hydrogen 2.852 N/A MET 58.A N ILE 55.A O no hydrogen 3.014 N/A MET 59.A N ILE 55.A O no hydrogen 2.843 N/A GLN 60.A NE2 TYR 56.A O no hydrogen 2.574 N/A GLN 60.A NE2 PRO 66.A O no hydrogen 3.552 N/A GLY 62.A N MET 59.A O no hydrogen 3.383 N/A THR 67.A N GLU 83.A OE1 no hydrogen 2.984 N/A THR 67.A OG1 GLU 83.A OE1 no hydrogen 3.052 N/A ILE 68.A N GLN 60.A OE1 no hydrogen 3.337 N/A ARG 69.A N VAL 81.A O no hydrogen 2.616 N/A ARG 69.A NE GLU 33.A OE2 no hydrogen 3.018 N/A ARG 69.A NH2 GLU 33.A OE2 no hydrogen 3.175 N/A TRP 70.A N VAL 81.A O no hydrogen 3.187 N/A CYS 71.A SG SER 53.A OG no hydrogen 3.090 N/A GLY 72.A N VAL 79.A O no hydrogen 2.974 N/A GLU 74.A N TYR 77.A O no hydrogen 2.746 N/A TYR 77.A N GLU 74.A O no hydrogen 2.933 N/A ASN 78.A N GLU 40.A O no hydrogen 2.742 N/A ASN 78.A ND2 GLY 72.A O no hydrogen 3.523 N/A VAL 79.A N GLY 72.A O no hydrogen 2.880 N/A MET 80.A N LYS 38.A O no hydrogen 2.989 N/A VAL 81.A N TRP 70.A O no hydrogen 2.809 N/A MET 82.A N ALA 36.A O no hydrogen 2.783 N/A GLU 83.A N THR 67.A O no hydrogen 2.921 N/A GLY 86.A N MET 136.A O no hydrogen 2.712 N/A SER 88.A N ASP 91.A OD2 no hydrogen 3.301 N/A LEU 89.A N PHE 134.A O no hydrogen 2.892 N/A GLU 90.A N SER 88.A OG no hydrogen 3.116 N/A ASP 91.A N SER 88.A OG no hydrogen 3.114 N/A LEU 92.A N SER 88.A O no hydrogen 2.961 N/A PHE 93.A N LEU 89.A O no hydrogen 2.835 N/A ASN 94.A N GLU 90.A O no hydrogen 2.838 N/A ASN 94.A ND2 GLU 90.A O no hydrogen 2.869 N/A ASN 94.A ND2 GLU 90.A OE2 no hydrogen 2.965 N/A PHE 95.A N ASP 91.A O no hydrogen 2.731 N/A CYS 96.A N LEU 92.A O no hydrogen 2.958 N/A CYS 96.A SG LEU 92.A O no hydrogen 3.331 N/A SER 97.A N ASN 94.A O no hydrogen 2.891 N/A ARG 98.A N PHE 93.A O no hydrogen 2.638 N/A ARG 98.A NH1 GLU 90.A OE2 no hydrogen 3.034 N/A ARG 98.A NH1 ASN 94.A OD1 no hydrogen 2.647 N/A LYS 99.A N CYS 96.A O no hydrogen 3.244 N/A SER 101.A N ASP 282.A OD2 no hydrogen 2.722 N/A SER 101.A OG ASP 282.A OD1 no hydrogen 2.860 N/A SER 101.A OG ASP 282.A OD2 no hydrogen 3.523 N/A LYS 103.A NZ ASP 278.A OD1 no hydrogen 2.635 N/A LYS 103.A NZ ASP 278.A OD2 no hydrogen 3.551 N/A VAL 105.A N SER 101.A O no hydrogen 2.936 N/A LEU 106.A N LEU 102.A O no hydrogen 3.013 N/A LEU 107.A N LYS 103.A O no hydrogen 2.853 N/A LEU 108.A N THR 104.A O no hydrogen 2.834 N/A ALA 109.A N VAL 105.A O no hydrogen 2.694 N/A ASP 110.A N LEU 106.A O no hydrogen 3.062 N/A GLN 111.A NE2 ASN 143.A O no hydrogen 2.913 N/A MET 112.A N LEU 108.A O no hydrogen 2.825 N/A ILE 113.A N ALA 109.A O no hydrogen 3.111 N/A SER 114.A OG ASP 110.A O no hydrogen 3.069 N/A ARG 115.A N GLN 111.A O no hydrogen 2.942 N/A ARG 115.A NE VAL 145.A O no hydrogen 2.886 N/A ARG 115.A NH2 GLN 111.A OE1 no hydrogen 3.098 N/A ILE 116.A N MET 112.A O no hydrogen 3.065 N/A GLU 117.A N ILE 113.A O no hydrogen 2.826 N/A TYR 118.A N SER 114.A O no hydrogen 2.872 N/A TYR 118.A OH MET 59.A O no hydrogen 3.177 N/A ILE 119.A N ARG 115.A O no hydrogen 3.012 N/A HIS 120.A N ILE 116.A O no hydrogen 3.046 N/A HIS 120.A ND1 TYR 259.A OH no hydrogen 2.629 N/A HIS 120.A NE2 ASP 195.A OD2 no hydrogen 2.976 N/A SER 121.A N GLU 117.A O no hydrogen 3.078 N/A SER 121.A OG TYR 118.A O no hydrogen 2.571 N/A LYS 122.A N TYR 118.A O no hydrogen 3.271 N/A LYS 122.A N ILE 119.A O no hydrogen 3.033 N/A LYS 122.A NZ MET 58.A O no hydrogen 3.331 N/A ASN 123.A N HIS 120.A O no hydrogen 2.905 N/A PHE 124.A N ILE 119.A O no hydrogen 3.437 N/A ILE 125.A N LYS 154.A O no hydrogen 2.834 N/A HIS 126.A N ASP 195.A OD2 no hydrogen 2.825 N/A HIS 126.A NE2 ILE 148.A O no hydrogen 3.003 N/A ARG 127.A N ASP 195.A OD1 no hydrogen 2.956 N/A ARG 127.A NE LEU 152.A O no hydrogen 2.813 N/A ARG 127.A NH2 LEU 152.A O no hydrogen 3.296 N/A ARG 127.A NH2 ASN 172.A OD1 no hydrogen 3.062 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.397 N/A ASN 133.A N LYS 130.A O no hydrogen 2.847 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 3.013 N/A PHE 134.A N PRO 131.A O no hydrogen 3.395 N/A LEU 135.A N TYR 146.A O no hydrogen 2.854 N/A MET 136.A N PRO 87.A O no hydrogen 2.853 N/A GLY 137.A N LEU 144.A O no hydrogen 2.804 N/A LYS 141.A N LEU 138.A O no hydrogen 3.240 N/A GLY 142.A N GLY 139.A O no hydrogen 2.808 N/A LEU 144.A N LYS 141.A O no hydrogen 3.171 N/A VAL 145.A N GLN 111.A OE1 no hydrogen 3.158 N/A TYR 146.A N LEU 135.A O no hydrogen 2.639 N/A ILE 147.A N GLY 64.A O no hydrogen 3.025 N/A ILE 148.A N ASN 133.A O no hydrogen 2.860 N/A ASP 149.A N TYR 56.A OH no hydrogen 2.960 N/A PHE 150.A N GLU 52.A OE2 no hydrogen 2.927 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 3.071 N/A LYS 154.A N ILE 125.A O no hydrogen 3.085 N/A LYS 154.A NZ LYS 155.A O no hydrogen 3.239 N/A TYR 156.A N ASN 123.A O no hydrogen 2.785 N/A TYR 156.A OH HIS 120.A O no hydrogen 2.673 N/A ARG 157.A NE ASN 123.A OD1 no hydrogen 2.675 N/A ARG 157.A NH2 SER 121.A O no hydrogen 3.514 N/A ARG 157.A NH2 ASN 123.A OD1 no hydrogen 2.947 N/A ASP 158.A N GLN 163.A O no hydrogen 2.893 N/A ARG 160.A N ASP 158.A OD2 no hydrogen 3.247 N/A THR 161.A N ASP 158.A OD2 no hydrogen 3.158 N/A THR 161.A OG1 ASP 158.A OD2 no hydrogen 2.848 N/A HIS 164.A ND1 ILE 165.A O no hydrogen 2.921 N/A ILE 165.A N TYR 156.A O no hydrogen 3.132 N/A ARG 168.A NE TYR 167.A O no hydrogen 3.148 N/A ASN 170.A N GLY 187.A O no hydrogen 2.877 N/A ASN 170.A ND2 GLU 189.A OE1 no hydrogen 3.091 N/A ASN 172.A N ASN 170.A OD1 no hydrogen 3.215 N/A LEU 173.A N ASN 172.A OD1 no hydrogen 2.949 N/A THR 176.A N ASP 128.A OD1 no hydrogen 3.193 N/A ARG 178.A NH1 TYR 179.A OH no hydrogen 3.243 N/A SER 181.A OG THR 184.A OG1 no hydrogen 2.992 N/A SER 181.A OG ASP 194.A OD1 no hydrogen 2.496 N/A ILE 182.A N GLU 197.A OE2 no hydrogen 3.347 N/A ASN 183.A ND2 ASP 194.A OD1 no hydrogen 3.167 N/A THR 184.A OG1 SER 181.A OG no hydrogen 2.992 N/A HIS 185.A N SER 181.A O no hydrogen 3.386 N/A HIS 185.A ND1 TYR 218.A OH no hydrogen 2.950 N/A LEU 186.A N ILE 182.A O no hydrogen 2.906 N/A GLY 187.A N THR 184.A O no hydrogen 3.130 N/A ILE 188.A N ASN 183.A O no hydrogen 2.980 N/A GLU 189.A N ARG 168.A O no hydrogen 3.066 N/A SER 191.A N ASP 194.A OD2 no hydrogen 2.780 N/A SER 191.A OG PHE 253.A O no hydrogen 2.760 N/A ARG 192.A NH2 ASP 254.A O no hydrogen 3.252 N/A ARG 192.A NH2 ASP 255.A O no hydrogen 3.183 N/A ARG 193.A NH1 LEU 251.A O no hydrogen 2.949 N/A ASP 194.A N SER 191.A O no hydrogen 2.896 N/A ASP 195.A N ARG 192.A O no hydrogen 3.185 N/A LEU 196.A N ARG 192.A O no hydrogen 3.469 N/A GLU 197.A N ARG 193.A O no hydrogen 2.984 N/A SER 198.A N ASP 194.A O no hydrogen 3.135 N/A SER 198.A OG TYR 179.A O no hydrogen 2.660 N/A SER 198.A OG ASP 194.A O no hydrogen 3.131 N/A LEU 199.A N ASP 195.A O no hydrogen 3.223 N/A GLY 200.A N LEU 196.A O no hydrogen 3.108 N/A TYR 201.A N GLU 197.A O no hydrogen 3.272 N/A TYR 201.A OH GLU 197.A OE2 no hydrogen 2.945 N/A VAL 202.A N SER 198.A O no hydrogen 2.865 N/A LEU 203.A N LEU 199.A O no hydrogen 2.873 N/A MET 204.A N GLY 200.A O no hydrogen 3.057 N/A TYR 205.A N TYR 201.A O no hydrogen 2.918 N/A TYR 205.A OH GLU 90.A OE1 no hydrogen 3.096 N/A TYR 205.A OH GLU 90.A OE2 no hydrogen 2.998 N/A PHE 206.A N VAL 202.A O no hydrogen 2.909 N/A ASN 207.A N LEU 203.A O no hydrogen 2.988 N/A LEU 208.A N MET 204.A O no hydrogen 2.757 N/A GLY 209.A N TYR 205.A O no hydrogen 2.708 N/A LEU 211.A N GLN 214.A OE1 no hydrogen 2.858 N/A TRP 213.A NE1 ARG 178.A O no hydrogen 2.846 N/A GLN 214.A N LEU 211.A O no hydrogen 2.913 N/A ILE 221.A N LYS 217.A O no hydrogen 2.866 N/A SER 222.A N TYR 218.A O no hydrogen 2.932 N/A SER 222.A OG TYR 218.A O no hydrogen 2.628 N/A GLU 223.A N GLU 219.A O no hydrogen 3.097 N/A LYS 224.A N ARG 220.A O no hydrogen 2.692 N/A LYS 225.A N ILE 221.A O no hydrogen 2.785 N/A LYS 225.A NZ ALA 177.A O no hydrogen 2.582 N/A LYS 225.A NZ ARG 178.A O no hydrogen 3.268 N/A LYS 225.A NZ ALA 180.A O no hydrogen 2.989 N/A LYS 225.A NZ HIS 185.A NE2 no hydrogen 3.126 N/A MET 226.A N SER 222.A O no hydrogen 2.923 N/A SER 227.A N GLU 223.A O no hydrogen 2.725 N/A SER 227.A OG GLU 223.A O no hydrogen 2.601 N/A THR 228.A N LYS 224.A O no hydrogen 2.948 N/A THR 228.A OG1 LYS 224.A O no hydrogen 2.845 N/A VAL 232.A N PRO 229.A O no hydrogen 2.954 N/A LEU 233.A N PRO 229.A O no hydrogen 2.985 N/A CYS 234.A N ILE 230.A O no hydrogen 2.907 N/A CYS 234.A SG ILE 230.A O no hydrogen 3.668 N/A LYS 235.A N VAL 232.A O no hydrogen 3.387 N/A TYR 237.A N CYS 234.A O no hydrogen 3.101 N/A PHE 241.A N PRO 238.A O no hydrogen 3.038 N/A THR 243.A N SER 239.A O no hydrogen 2.872 N/A THR 243.A OG1 SER 239.A O no hydrogen 2.640 N/A TYR 244.A N GLU 240.A O no hydrogen 2.835 N/A TYR 244.A OH LEU 196.A O no hydrogen 2.975 N/A LEU 245.A N PHE 241.A O no hydrogen 3.043 N/A ASN 246.A N ALA 242.A O no hydrogen 2.969 N/A ASN 246.A ND2 GLU 231.A OE2 no hydrogen 3.056 N/A ASN 246.A ND2 ALA 242.A O no hydrogen 3.158 N/A PHE 247.A N THR 243.A O no hydrogen 2.968 N/A CYS 248.A N TYR 244.A O no hydrogen 3.075 N/A CYS 248.A SG TYR 244.A O no hydrogen 3.541 N/A ARG 249.A N LEU 245.A O no hydrogen 2.924 N/A SER 250.A N ASN 246.A O no hydrogen 2.952 N/A SER 250.A N PHE 247.A O no hydrogen 3.013 N/A SER 250.A OG ASN 246.A O no hydrogen 2.658 N/A LEU 251.A N CYS 248.A O no hydrogen 3.158 N/A ARG 252.A N ASP 255.A OD2 no hydrogen 2.904 N/A ASP 255.A N ARG 252.A O no hydrogen 2.847 N/A TYR 259.A OH HIS 120.A ND1 no hydrogen 2.629 N/A TYR 261.A N ASP 258.A OD1 no hydrogen 3.067 N/A LEU 262.A N ASP 258.A O no hydrogen 3.181 N/A ARG 263.A N TYR 259.A O no hydrogen 2.957 N/A ARG 263.A NH1 SER 114.A OG no hydrogen 3.033 N/A ARG 263.A NH1 GLU 117.A OE1 no hydrogen 2.741 N/A ARG 263.A NH2 GLU 117.A OE1 no hydrogen 2.909 N/A GLN 264.A N SER 260.A O no hydrogen 2.743 N/A LEU 265.A N TYR 261.A O no hydrogen 3.009 N/A ARG 267.A N ARG 263.A O no hydrogen 2.956 N/A ARG 267.A NE ASP 110.A OD1 no hydrogen 3.120 N/A ARG 267.A NH2 ASP 110.A OD1 no hydrogen 3.432 N/A ARG 267.A NH2 ASP 110.A OD2 no hydrogen 3.162 N/A ASN 268.A N GLN 264.A O no hydrogen 2.886 N/A LEU 269.A N LEU 265.A O no hydrogen 3.263 N/A PHE 270.A N PHE 266.A O no hydrogen 2.832 N/A HIS 271.A N ARG 267.A O no hydrogen 3.022 N/A ARG 272.A N ASN 268.A O no hydrogen 3.012 N/A ARG 272.A NH2 GLU 240.A OE2 no hydrogen 3.039 N/A GLN 273.A N LEU 269.A O no hydrogen 2.996 N/A GLN 273.A N PHE 270.A O no hydrogen 2.821 N/A GLY 274.A N HIS 271.A O no hydrogen 2.775 N/A PHE 275.A N PHE 270.A O no hydrogen 3.523 N/A TYR 277.A OH ASP 110.A OD2 no hydrogen 3.110 N/A ASP 278.A N SER 276.A O no hydrogen 2.764 N/A PHE 281.A N ASN 284.A OD1 no hydrogen 3.338 N/A ASP 282.A N THR 104.A OG1 no hydrogen 2.998 N/A ASN 284.A N PHE 281.A O no hydrogen 2.956 N/A MET 285.A N PHE 281.A O no hydrogen 3.273 N/A MET 285.A N ASP 282.A O no hydrogen 3.141 N/A LEU 286.A N ASP 282.A O no hydrogen 3.025 N/A PHE 288.A N MET 285.A O no hydrogen 3.082 N/A GLY 289.A N LEU 286.A O no hydrogen 3.041 N/A