Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kyv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 VAL 177.A O no hydrogen 2.879 N/A HIS 16.A N TYR 26.A O no hydrogen 3.277 N/A VAL 20.A N GLU 23.A O no hydrogen 2.732 N/A GLU 23.A N VAL 20.A O no hydrogen 2.935 N/A ARG 24.A N ASP 74.A OD2 no hydrogen 2.764 N/A HIS 25.A ND1 ASP 67.A OD2 no hydrogen 2.843 N/A TYR 26.A N HIS 16.A O no hydrogen 2.903 N/A VAL 27.A N ALA 65.A O no hydrogen 2.968 N/A VAL 29.A N CYS 63.A O no hydrogen 3.041 N/A ARG 32.A NE GLY 30.A O no hydrogen 3.128 N/A ARG 32.A NH1 ASP 28.A OD1 no hydrogen 2.798 N/A ARG 32.A NH1 GLY 30.A O no hydrogen 3.041 N/A ARG 32.A NH2 ASP 28.A OD1 no hydrogen 3.127 N/A ARG 32.A NH2 ASP 28.A OD2 no hydrogen 3.296 N/A VAL 37.A N ARG 62.A O no hydrogen 2.811 N/A LEU 38.A N VAL 102.A O no hydrogen 2.785 N/A PHE 39.A N ILE 64.A O no hydrogen 2.842 N/A LEU 40.A N VAL 104.A O no hydrogen 2.856 N/A HIS 41.A ND1 GLY 42.A O no hydrogen 2.846 N/A ASN 43.A N ASP 107.A OD2 no hydrogen 2.808 N/A THR 45.A N GLY 42.A O no hydrogen 3.159 N/A THR 45.A OG1 GLY 42.A O no hydrogen 3.028 N/A SER 47.A N ASP 67.A OD1 no hydrogen 2.824 N/A SER 47.A OG ASP 67.A OD1 no hydrogen 2.828 N/A TYR 48.A N SER 46.A OG no hydrogen 3.159 N/A TYR 48.A OH THR 9.A O no hydrogen 2.711 N/A LEU 49.A N SER 46.A O no hydrogen 2.945 N/A TRP 50.A N SER 47.A O no hydrogen 2.969 N/A ARG 51.A N TYR 48.A O no hydrogen 3.086 N/A ARG 51.A NE GLY 8.A O no hydrogen 2.886 N/A ARG 51.A NH1 TYR 48.A O no hydrogen 3.056 N/A ARG 51.A NH1 GLU 273.A OE1 no hydrogen 3.491 N/A ARG 51.A NH1 GLU 273.A OE2 no hydrogen 2.738 N/A ARG 51.A NH2 GLY 8.A O no hydrogen 3.220 N/A ARG 51.A NH2 GLU 273.A OE1 no hydrogen 2.863 N/A ARG 51.A NH2 GLU 273.A OE2 no hydrogen 3.424 N/A ASN 52.A ND2 GLY 8.A O no hydrogen 2.878 N/A ILE 53.A N TRP 50.A O no hydrogen 2.950 N/A ILE 54.A N TRP 50.A O no hydrogen 2.964 N/A HIS 56.A N ILE 53.A O no hydrogen 3.004 N/A VAL 57.A N ILE 54.A O no hydrogen 2.926 N/A ALA 58.A N ILE 54.A O no hydrogen 2.842 N/A SER 60.A N VAL 57.A O no hydrogen 2.958 N/A SER 60.A OG VAL 57.A O no hydrogen 3.117 N/A SER 60.A OG HIS 61.A ND1 no hydrogen 2.975 N/A HIS 61.A N VAL 57.A O no hydrogen 3.025 N/A HIS 61.A ND1 SER 60.A OG no hydrogen 2.975 N/A ARG 62.A NE ASP 28.A OD1 no hydrogen 2.993 N/A ARG 62.A NH2 ASP 28.A OD2 no hydrogen 2.867 N/A CYS 63.A N VAL 29.A O no hydrogen 2.827 N/A CYS 63.A SG ILE 54.A O no hydrogen 4.039 N/A CYS 63.A SG HIS 61.A O no hydrogen 3.522 N/A ILE 64.A N VAL 37.A O no hydrogen 2.917 N/A ALA 65.A N VAL 27.A O no hydrogen 3.013 N/A ASP 67.A N HIS 25.A O no hydrogen 2.800 N/A LEU 68.A N HIS 41.A NE2 no hydrogen 2.990 N/A GLY 70.A N ASP 74.A O no hydrogen 2.941 N/A LYS 72.A N ASP 67.A OD2 no hydrogen 2.780 N/A SER 73.A OG ASP 67.A O no hydrogen 2.618 N/A ASP 74.A N ARG 24.A O no hydrogen 2.793 N/A LYS 75.A NZ PRO 190.A O no hydrogen 2.799 N/A LEU 78.A N PRO 76.A O no hydrogen 2.965 N/A TYR 80.A OH PRO 76.A O no hydrogen 2.648 N/A PHE 81.A N ASP 84.A OD2 no hydrogen 2.978 N/A PHE 82.A N GLU 206.A OE2 no hydrogen 2.763 N/A HIS 85.A N PHE 81.A O no hydrogen 3.343 N/A VAL 86.A N PHE 82.A O no hydrogen 2.886 N/A ARG 87.A N ASP 83.A O no hydrogen 3.049 N/A ARG 87.A NH1.A ASP 84.A OD1 no hydrogen 3.166 N/A ARG 87.A NH2.A ASP 84.A OD1 no hydrogen 2.906 N/A TYR 88.A N ASP 84.A O no hydrogen 3.098 N/A LEU 89.A N HIS 85.A O no hydrogen 2.887 N/A ASP 90.A N VAL 86.A O no hydrogen 2.911 N/A ALA 91.A N ARG 87.A O no hydrogen 3.187 N/A PHE 92.A N TYR 88.A O no hydrogen 2.878 N/A ILE 93.A N LEU 89.A O no hydrogen 2.931 N/A GLU 94.A N ASP 90.A O no hydrogen 3.157 N/A ALA 95.A N ALA 91.A O no hydrogen 2.768 N/A LEU 96.A N PHE 92.A O no hydrogen 3.139 N/A GLY 97.A N GLU 94.A O no hydrogen 2.935 N/A LEU 98.A N ILE 93.A O no hydrogen 3.230 N/A VAL 101.A N ARG 123.A O no hydrogen 2.731 N/A VAL 102.A N PRO 36.A O no hydrogen 3.013 N/A LEU 103.A N GLY 126.A O no hydrogen 2.935 N/A VAL 104.A N LEU 38.A O no hydrogen 2.922 N/A ILE 105.A N ALA 128.A O no hydrogen 2.896 N/A HIS 106.A N LEU 40.A O no hydrogen 3.266 N/A HIS 106.A NE2 PHE 269.A O no hydrogen 2.967 N/A ASP 107.A N GLU 130.A O no hydrogen 3.116 N/A SER 110.A N HIS 106.A O no hydrogen 3.152 N/A SER 110.A N ASP 107.A O no hydrogen 2.878 N/A SER 110.A OG ASP 107.A O no hydrogen 2.548 N/A ALA 111.A N ASP 107.A O no hydrogen 3.201 N/A LEU 112.A N TRP 108.A O no hydrogen 2.974 N/A GLY 113.A N GLY 109.A O no hydrogen 2.754 N/A PHE 114.A N SER 110.A O no hydrogen 2.793 N/A HIS 115.A N ALA 111.A O no hydrogen 3.031 N/A TRP 116.A N LEU 112.A O no hydrogen 2.872 N/A ALA 117.A N GLY 113.A O no hydrogen 2.862 N/A LYS 118.A N PHE 114.A O no hydrogen 2.908 N/A ARG 119.A N HIS 115.A O no hydrogen 3.296 N/A ARG 119.A NE HIS 115.A O no hydrogen 3.066 N/A ARG 119.A NH1 ASP 90.A OD2 no hydrogen 2.917 N/A ARG 119.A NH2 ASP 90.A OD1 no hydrogen 2.988 N/A ASN 120.A N TRP 116.A O no hydrogen 2.833 N/A ASN 120.A N ALA 117.A O no hydrogen 3.137 N/A ASN 120.A ND2 TRP 116.A O no hydrogen 2.976 N/A GLU 122.A N GLU 122.A OE1 no hydrogen 2.556 N/A ARG 123.A N ASN 120.A O no hydrogen 2.947 N/A ARG 123.A NE GLU 99.A O no hydrogen 3.014 N/A ARG 123.A NH1 GLU 94.A OE2 no hydrogen 3.374 N/A ARG 123.A NH1 ASN 120.A OD1 no hydrogen 3.443 N/A ARG 123.A NH2 GLU 94.A OE2 no hydrogen 2.960 N/A ARG 123.A NH2 LEU 98.A O no hydrogen 2.731 N/A LYS 125.A N VAL 101.A O no hydrogen 2.893 N/A LYS 125.A NZ GLU 100.A OE2 no hydrogen 2.789 N/A ILE 127.A N PRO 232.A O no hydrogen 2.854 N/A ALA 128.A N LEU 103.A O no hydrogen 2.762 N/A CYS 129.A N LEU 234.A O no hydrogen 2.811 N/A CYS 129.A SG LEU 234.A O no hydrogen 3.897 N/A ILE 132.A N SER 110.A OG no hydrogen 3.190 N/A ARG 133.A NH2 LEU 243.A O no hydrogen 3.406 N/A ILE 135.A N PRO 208.A O no hydrogen 2.842 N/A GLU 140.A N THR 137.A O no hydrogen 3.243 N/A TRP 141.A N TRP 138.A O no hydrogen 3.031 N/A TRP 141.A NE1 ALA 145.A O no hydrogen 3.214 N/A ALA 145.A N PRO 142.A O no hydrogen 3.181 N/A ARG 146.A N GLU 143.A O no hydrogen 3.120 N/A ARG 146.A NE TRP 138.A O no hydrogen 2.998 N/A ARG 146.A NE TRP 141.A O no hydrogen 3.285 N/A ARG 146.A NH2 TRP 141.A O no hydrogen 2.965 N/A PHE 149.A N ALA 145.A O no hydrogen 3.091 N/A GLN 150.A N ARG 146.A O no hydrogen 2.919 N/A ALA 151.A N GLU 147.A O no hydrogen 3.007 N/A PHE 152.A N THR 148.A O no hydrogen 2.938 N/A ARG 153.A N PHE 149.A O no hydrogen 3.132 N/A ARG 153.A NH1 LEU 207.A O no hydrogen 3.546 N/A ARG 153.A NH1 GLU 212.A O no hydrogen 2.943 N/A ARG 153.A NH2 PRO 204.A O no hydrogen 2.878 N/A ARG 153.A NH2 LEU 207.A O no hydrogen 2.833 N/A THR 154.A OG1 ALA 151.A O no hydrogen 2.761 N/A VAL 157.A N ASP 156.A OD1 no hydrogen 2.711 N/A GLY 158.A N THR 154.A OG1 no hydrogen 2.791 N/A ARG 159.A NH1 GLU 198.A OE1 no hydrogen 3.441 N/A ARG 159.A NH1 GLU 198.A OE2 no hydrogen 2.942 N/A ARG 159.A NH2 GLU 198.A OE1 no hydrogen 2.807 N/A GLU 160.A N ASP 156.A O no hydrogen 3.044 N/A LEU 161.A N VAL 157.A O no hydrogen 2.958 N/A ILE 162.A N GLY 158.A O no hydrogen 2.932 N/A ILE 163.A N ARG 159.A O no hydrogen 2.855 N/A ASP 164.A N ARG 159.A O no hydrogen 3.263 N/A GLN 165.A N GLU 160.A O no hydrogen 2.931 N/A GLN 165.A NE2 GLU 160.A OE2 no hydrogen 2.791 N/A ALA 167.A N LEU 161.A O no hydrogen 2.902 N/A ILE 169.A N ASN 166.A O no hydrogen 3.137 N/A GLU 170.A N ASN 166.A O no hydrogen 2.943 N/A GLY 171.A N ALA 167.A O no hydrogen 2.916 N/A ALA 172.A N ALA 167.A O no hydrogen 3.094 N/A LEU 173.A N PHE 168.A O no hydrogen 2.964 N/A VAL 176.A N PRO 174.A O no hydrogen 3.332 N/A VAL 177.A N ASP 274.A OD2 no hydrogen 2.817 N/A ARG 178.A N ASP 274.A OD1 no hydrogen 2.931 N/A ARG 178.A NE GLU 273.A O no hydrogen 2.771 N/A ARG 178.A NH1 PRO 179.A O no hydrogen 3.353 N/A ARG 178.A NH1 GLU 184.A OE1 no hydrogen 2.651 N/A ARG 178.A NH1 GLU 184.A OE2 no hydrogen 3.372 N/A ARG 178.A NH2 GLU 184.A OE1 no hydrogen 3.316 N/A ARG 178.A NH2 GLU 184.A OE2 no hydrogen 2.718 N/A ARG 178.A NH2 GLU 273.A O no hydrogen 3.435 N/A THR 181.A N GLU 184.A OE1 no hydrogen 2.989 N/A THR 181.A OG1 GLU 184.A OE1 no hydrogen 3.401 N/A GLU 184.A N THR 181.A OG1 no hydrogen 3.222 N/A HIS 186.A N VAL 183.A O no hydrogen 3.142 N/A TYR 187.A N GLU 184.A O no hydrogen 3.101 N/A TYR 187.A OH GLU 273.A OE2 no hydrogen 2.572 N/A ARG 188.A NE GLU 170.A OE1 no hydrogen 3.405 N/A ARG 188.A NE GLU 170.A OE2 no hydrogen 2.902 N/A ARG 188.A NH1 ASP 185.A OD1 no hydrogen 3.010 N/A ARG 188.A NH2 GLU 170.A OE1 no hydrogen 2.810 N/A GLU 189.A N ASP 185.A O no hydrogen 3.084 N/A PHE 191.A N ARG 188.A O no hydrogen 2.902 N/A ASP 196.A N LYS 193.A O no hydrogen 2.917 N/A ARG 197.A N PRO 194.A O no hydrogen 3.049 N/A ARG 197.A NE PHE 191.A O no hydrogen 2.816 N/A ARG 197.A NH1 ILE 163.A O no hydrogen 2.756 N/A ARG 197.A NH2 PHE 191.A O no hydrogen 2.994 N/A LEU 200.A N ARG 197.A O no hydrogen 2.870 N/A TRP 201.A N ARG 197.A O no hydrogen 3.332 N/A TRP 201.A N GLU 198.A O no hydrogen 3.107 N/A TRP 201.A NE1 THR 154.A O no hydrogen 3.094 N/A ARG 202.A N GLU 198.A O no hydrogen 3.025 N/A LEU 203.A N PRO 199.A O no hydrogen 3.222 N/A ASN 205.A ND2 PHE 152.A O no hydrogen 3.099 N/A ASN 205.A ND2 TRP 201.A O no hydrogen 2.928 N/A GLU 206.A N LEU 203.A O no hydrogen 2.934 N/A LEU 207.A N PRO 204.A O no hydrogen 3.398 N/A ILE 209.A N GLU 212.A O no hydrogen 3.147 N/A ALA 210.A N ILE 135.A O no hydrogen 2.772 N/A GLU 212.A N ILE 209.A O no hydrogen 3.254 N/A VAL 217.A N PRO 213.A O no hydrogen 3.024 N/A ALA 218.A N ALA 214.A O no hydrogen 3.012 N/A LEU 219.A N ASN 215.A O no hydrogen 3.079 N/A VAL 220.A N ILE 216.A O no hydrogen 2.865 N/A GLU 221.A N VAL 217.A O no hydrogen 2.928 N/A ALA 222.A N ALA 218.A O no hydrogen 2.954 N/A TYR 223.A N LEU 219.A O no hydrogen 3.082 N/A TYR 223.A OH ILE 132.A O no hydrogen 2.746 N/A TRP 225.A N ALA 222.A O no hydrogen 2.994 N/A LEU 226.A N TYR 223.A O no hydrogen 2.864 N/A GLN 228.A N TRP 225.A O no hydrogen 3.179 N/A GLN 228.A NE2 TRP 225.A O no hydrogen 3.013 N/A SER 229.A N LEU 226.A O no hydrogen 3.384 N/A VAL 231.A N SER 229.A OG no hydrogen 3.112 N/A LYS 233.A N ASN 258.A O no hydrogen 2.943 N/A LYS 233.A NZ SER 229.A O no hydrogen 2.764 N/A LYS 233.A NZ VAL 231.A O no hydrogen 2.628 N/A LYS 233.A NZ PRO 257.A O no hydrogen 2.742 N/A LEU 234.A N ILE 127.A O no hydrogen 2.876 N/A LEU 235.A N LYS 260.A O no hydrogen 2.825 N/A PHE 236.A N CYS 129.A O no hydrogen 2.939 N/A TRP 237.A N VAL 262.A O no hydrogen 2.969 N/A THR 239.A N GLY 265.A O no hydrogen 2.941 N/A GLY 241.A N GLY 267.A O no hydrogen 2.817 N/A VAL 242.A N GLU 130.A OE2 no hydrogen 2.985 N/A LEU 243.A N GLU 130.A OE1 no hydrogen 2.636 N/A ILE 244.A N GLU 130.A OE2 no hydrogen 3.049 N/A ALA 249.A N PRO 245.A O no hydrogen 3.005 N/A ALA 250.A N PRO 246.A O no hydrogen 3.017 N/A ARG 251.A N ALA 247.A O no hydrogen 3.090 N/A ARG 251.A NE GLU 248.A OE1 no hydrogen 3.068 N/A ARG 251.A NH2 GLU 248.A OE1 no hydrogen 2.939 N/A LEU 252.A N GLU 248.A O no hydrogen 2.958 N/A ALA 253.A N ALA 249.A O no hydrogen 2.923 N/A GLU 254.A N ARG 251.A O no hydrogen 3.043 N/A SER 255.A N ARG 251.A O no hydrogen 2.899 N/A SER 255.A OG HIS 227.A NE2 no hydrogen 3.270 N/A SER 255.A OG ARG 251.A O no hydrogen 3.372 N/A LEU 256.A N LEU 252.A O no hydrogen 2.850 N/A ASN 258.A ND2.A PRO 230.A O no hydrogen 3.111 N/A ASN 258.A ND2.B PRO 230.A O no hydrogen 2.738 N/A CYS 259.A SG LYS 260.A O no hydrogen 4.013 N/A LYS 260.A N LYS 233.A O no hydrogen 2.877 N/A VAL 262.A N LEU 235.A O no hydrogen 2.859 N/A ILE 264.A N TRP 237.A O no hydrogen 2.943 N/A GLY 265.A N ASP 263.A OD1 no hydrogen 3.009 N/A GLY 267.A N THR 239.A O no hydrogen 3.061 N/A PHE 269.A N GLY 175.A O no hydrogen 3.005 N/A LEU 270.A N GLY 175.A O no hydrogen 2.900 N/A GLN 272.A N GLN 272.A OE1 no hydrogen 2.703 N/A GLU 273.A N LEU 270.A O no hydrogen 2.924 N/A ASP 274.A N LEU 271.A O no hydrogen 3.065 N/A ASN 275.A N LEU 271.A O no hydrogen 3.068 N/A ASN 275.A ND2 ILE 264.A O no hydrogen 2.978 N/A LEU 278.A N ASN 275.A OD1 no hydrogen 3.167 N/A ILE 279.A N ASN 275.A O no hydrogen 3.274 N/A GLY 280.A N PRO 276.A O no hydrogen 2.829 N/A SER 281.A N ASP 277.A O no hydrogen 2.870 N/A SER 281.A OG ASP 277.A O no hydrogen 3.023 N/A SER 281.A OG LEU 278.A O no hydrogen 3.341 N/A GLU 282.A N LEU 278.A O no hydrogen 2.956 N/A ILE 283.A N ILE 279.A O no hydrogen 3.029 N/A ALA 284.A N GLY 280.A O no hydrogen 3.015 N/A ARG 285.A N SER 281.A O no hydrogen 2.953 N/A ARG 285.A NH1 GLU 282.A OE2 no hydrogen 2.822 N/A TRP 286.A N GLU 282.A O no hydrogen 3.055 N/A TRP 286.A N ILE 283.A O no hydrogen 3.104 N/A LEU 287.A N ILE 283.A O no hydrogen 3.038 N/A GLY 289.A N TRP 286.A O no hydrogen 3.295 N/A LEU 290.A N LEU 287.A O no hydrogen 2.992 N/A