Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1upk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ASP 5.A OD2 no hydrogen 2.966 N/A SER 2.A OG ASP 5.A OD2 no hydrogen 2.711 N/A ILE 6.A N SER 2.A O no hydrogen 2.950 N/A VAL 7.A N PRO 3.A O no hydrogen 2.857 N/A LYS 8.A N ALA 4.A O no hydrogen 2.869 N/A ASN 9.A N ASP 5.A O no hydrogen 2.814 N/A LEU 10.A N ILE 6.A O no hydrogen 2.886 N/A LYS 11.A N VAL 7.A O no hydrogen 2.922 N/A LYS 11.A NZ SER 56.A O no hydrogen 2.795 N/A GLU 12.A N LYS 8.A O no hydrogen 3.044 N/A SER 13.A N ASN 9.A O no hydrogen 3.007 N/A SER 13.A OG ASN 9.A O no hydrogen 2.956 N/A VAL 15.A N GLU 12.A O no hydrogen 3.144 N/A LEU 16.A N SER 13.A O no hydrogen 3.105 N/A LYS 18.A N ALA 14.A O no hydrogen 3.354 N/A LYS 18.A N VAL 15.A O no hydrogen 2.857 N/A SER 19.A OG ASP 20.A OD1 no hydrogen 2.753 N/A GLU 24.A N ASP 20.A O no hydrogen 2.489 N/A LYS 25.A N LYS 21.A O no hydrogen 3.117 N/A LYS 25.A NZ GLU 29.A OE1 no hydrogen 3.195 N/A ALA 26.A N LYS 22.A O no hydrogen 3.002 N/A THR 27.A N ALA 23.A O no hydrogen 2.818 N/A THR 27.A OG1 ALA 23.A O no hydrogen 2.809 N/A GLU 28.A N GLU 24.A O no hydrogen 3.009 N/A GLU 29.A N LYS 25.A O no hydrogen 2.753 N/A VAL 30.A N ALA 26.A O no hydrogen 2.793 N/A SER 31.A N THR 27.A O no hydrogen 2.944 N/A SER 31.A OG THR 27.A O no hydrogen 3.064 N/A SER 31.A OG ASP 70.A OD2 no hydrogen 2.728 N/A LYS 32.A N GLU 28.A O no hydrogen 2.952 N/A ASN 33.A N GLU 29.A O no hydrogen 2.965 N/A LEU 34.A N VAL 30.A O no hydrogen 2.942 N/A VAL 35.A N SER 31.A O no hydrogen 3.079 N/A ALA 36.A N LYS 32.A O no hydrogen 2.948 N/A LYS 37.A NZ ASP 76.A OD1 no hydrogen 2.801 N/A GLU 38.A N VAL 35.A O no hydrogen 3.113 N/A ILE 39.A N ALA 36.A O no hydrogen 3.310 N/A TYR 41.A N LYS 37.A O no hydrogen 3.170 N/A ALA 45.A N GLN 42.A O no hydrogen 2.954 N/A VAL 46.A N GLN 42.A O no hydrogen 3.105 N/A ALA 47.A N THR 43.A O no hydrogen 3.140 N/A GLN 48.A N GLU 44.A O no hydrogen 2.662 N/A LEU 49.A N ALA 45.A O no hydrogen 2.829 N/A ALA 50.A N VAL 46.A O no hydrogen 2.936 N/A GLN 51.A N ALA 47.A O no hydrogen 3.118 N/A GLN 51.A NE2 GLN 51.A O no hydrogen 3.621 N/A GLN 51.A NE2 ASN 55.A OD1 no hydrogen 3.062 N/A GLU 52.A N GLN 48.A O no hydrogen 2.953 N/A LEU 53.A N LEU 49.A O no hydrogen 2.758 N/A TYR 54.A N ALA 50.A O no hydrogen 2.956 N/A TYR 54.A OH THR 95.A OG1 no hydrogen 2.696 N/A ASN 55.A N GLN 51.A O no hydrogen 2.959 N/A SER 56.A N GLU 52.A O no hydrogen 3.007 N/A SER 56.A OG GLU 52.A O no hydrogen 2.694 N/A GLY 57.A N TYR 54.A O no hydrogen 3.349 N/A LEU 58.A N SER 56.A OG no hydrogen 3.080 N/A THR 61.A N GLY 57.A O no hydrogen 2.998 N/A THR 61.A OG1 GLY 57.A O no hydrogen 3.207 N/A LEU 62.A N LEU 58.A O no hydrogen 2.808 N/A VAL 63.A N LEU 59.A O no hydrogen 3.318 N/A ALA 64.A N SER 60.A O no hydrogen 2.882 N/A ASP 65.A N THR 61.A O no hydrogen 2.737 N/A LEU 66.A N VAL 63.A O no hydrogen 3.273 N/A LEU 68.A N ASP 65.A O no hydrogen 2.862 N/A ILE 69.A N LEU 66.A O no hydrogen 3.155 N/A GLY 73.A N ASP 70.A OD1 no hydrogen 2.946 N/A LYS 74.A N ASP 70.A O no hydrogen 2.812 N/A LYS 74.A NZ ILE 69.A O no hydrogen 2.748 N/A ASP 76.A N GLU 72.A O no hydrogen 2.991 N/A VAL 77.A N GLY 73.A O no hydrogen 2.941 N/A ALA 78.A N LYS 74.A O no hydrogen 3.121 N/A GLN 79.A N LYS 75.A O no hydrogen 2.849 N/A GLN 79.A NE2 TYR 41.A OH no hydrogen 2.760 N/A ILE 80.A N ASP 76.A O no hydrogen 2.850 N/A PHE 81.A N VAL 77.A O no hydrogen 2.798 N/A ASN 82.A N ALA 78.A O no hydrogen 2.801 N/A ASN 83.A N GLN 79.A O no hydrogen 3.096 N/A ILE 84.A N ILE 80.A O no hydrogen 2.885 N/A LEU 85.A N PHE 81.A O no hydrogen 2.866 N/A ARG 86.A N ASN 83.A O no hydrogen 3.137 N/A ARG 87.A N ILE 84.A O no hydrogen 3.059 N/A ILE 89.A N ARG 92.A O no hydrogen 2.923 N/A ARG 92.A N ILE 89.A O no hydrogen 2.956 N/A ARG 92.A NE GLU 97.A OE1 no hydrogen 3.220 N/A ARG 92.A NE GLU 97.A OE2 no hydrogen 2.960 N/A ARG 92.A NH2 GLU 97.A OE1 no hydrogen 3.013 N/A THR 95.A OG1 TYR 54.A OH no hydrogen 2.696 N/A THR 95.A OG1 ILE 84.A O no hydrogen 2.683 N/A VAL 96.A N THR 93.A O no hydrogen 3.041 N/A GLU 97.A N THR 93.A O no hydrogen 3.196 N/A TYR 98.A N PRO 94.A O no hydrogen 2.826 N/A ILE 99.A N THR 95.A O no hydrogen 2.877 N/A CYS 100.A N VAL 96.A O no hydrogen 3.028 N/A CYS 100.A SG VAL 96.A O no hydrogen 3.415 N/A THR 101.A N TYR 98.A O no hydrogen 2.951 N/A THR 101.A OG1 TYR 98.A O no hydrogen 2.746 N/A GLN 102.A N ILE 99.A O no hydrogen 2.976 N/A GLN 103.A NE2 CYS 100.A O no hydrogen 3.105 N/A ILE 105.A N GLN 102.A O no hydrogen 3.033 N/A LEU 106.A N GLN 103.A O no hydrogen 2.955 N/A PHE 107.A N GLN 103.A O no hydrogen 3.254 N/A LEU 109.A N LEU 106.A O no hydrogen 2.920 N/A LYS 110.A N PHE 107.A O no hydrogen 3.057 N/A LYS 110.A NZ GLU 113.A OE1 no hydrogen 3.563 N/A LYS 110.A NZ GLU 113.A OE2 no hydrogen 2.992 N/A GLY 111.A N LEU 108.A O no hydrogen 3.085 N/A TYR 112.A N LEU 109.A O no hydrogen 3.089 N/A TYR 112.A OH ASP 159.A O no hydrogen 3.281 N/A TYR 112.A OH ASP 159.A OD2 no hydrogen 2.596 N/A TYR 112.A OH THR 163.A OG1 no hydrogen 2.684 N/A GLU 113.A N LYS 110.A O no hydrogen 2.883 N/A SER 114.A N GLY 111.A O no hydrogen 3.034 N/A ILE 117.A N SER 114.A O no hydrogen 3.009 N/A ALA 118.A N SER 114.A O no hydrogen 2.864 N/A CYS 121.A N ILE 117.A O no hydrogen 2.938 N/A CYS 121.A SG ILE 117.A O no hydrogen 3.444 N/A GLY 122.A N ALA 118.A O no hydrogen 2.852 N/A ILE 123.A N LEU 119.A O no hydrogen 2.960 N/A ARG 125.A N GLY 122.A O no hydrogen 2.802 N/A ARG 125.A NH1 ASP 159.A OD1 no hydrogen 3.395 N/A ARG 125.A NH1 ASP 159.A OD2 no hydrogen 2.991 N/A ARG 125.A NH1 THR 163.A OG1 no hydrogen 3.018 N/A ARG 125.A NH2 ASP 159.A OD1 no hydrogen 3.373 N/A GLU 126.A N ILE 123.A O no hydrogen 3.130 N/A ILE 128.A N LEU 124.A O no hydrogen 2.889 N/A ARG 129.A N GLU 126.A O no hydrogen 3.191 N/A ARG 129.A NH1 GLU 126.A OE2 no hydrogen 3.107 N/A HIS 130.A N CYS 127.A O no hydrogen 2.911 N/A LEU 133.A N HIS 130.A O no hydrogen 2.995 N/A ALA 134.A N HIS 130.A O no hydrogen 2.993 N/A LYS 135.A N GLU 131.A O no hydrogen 2.956 N/A ILE 136.A N PRO 132.A O no hydrogen 3.186 N/A ILE 137.A N LEU 133.A O no hydrogen 3.116 N/A LEU 138.A N ALA 134.A O no hydrogen 2.796 N/A TRP 139.A N LYS 135.A O no hydrogen 2.963 N/A SER 140.A N ILE 137.A O no hydrogen 3.169 N/A SER 140.A OG ILE 137.A O no hydrogen 2.718 N/A PHE 143.A N SER 140.A O no hydrogen 2.956 N/A TYR 144.A N GLU 141.A O no hydrogen 3.096 N/A ASP 145.A N GLN 142.A O no hydrogen 2.841 N/A PHE 146.A N PHE 143.A O no hydrogen 2.999 N/A PHE 147.A N TYR 144.A O no hydrogen 3.105 N/A ARG 148.A N ASP 145.A O no hydrogen 2.925 N/A ARG 148.A NH1 ASP 145.A OD1 no hydrogen 3.229 N/A ARG 148.A NH2 GLU 113.A OE2 no hydrogen 2.946 N/A TYR 149.A N ASP 145.A O no hydrogen 2.923 N/A TYR 149.A OH GLU 113.A OE2 no hydrogen 2.647 N/A VAL 150.A N PHE 146.A O no hydrogen 2.917 N/A GLU 151.A N ARG 148.A O no hydrogen 3.036 N/A ALA 157.A N THR 153.A O no hydrogen 2.990 N/A SER 158.A N PHE 154.A O no hydrogen 2.829 N/A ASP 159.A N ASP 155.A O no hydrogen 2.999 N/A ALA 160.A N ILE 156.A O no hydrogen 2.835 N/A PHE 161.A N ALA 157.A O no hydrogen 2.903 N/A ALA 162.A N SER 158.A O no hydrogen 3.026 N/A THR 163.A N ASP 159.A O no hydrogen 3.189 N/A THR 163.A OG1 TYR 112.A OH no hydrogen 2.684 N/A THR 163.A OG1 ASP 159.A O no hydrogen 3.232 N/A PHE 164.A N ALA 160.A O no hydrogen 2.864 N/A LYS 165.A N PHE 161.A O no hydrogen 2.759 N/A ASP 166.A N ALA 162.A O no hydrogen 3.011 N/A LEU 167.A N THR 163.A O no hydrogen 2.923 N/A LEU 168.A N PHE 164.A O no hydrogen 3.137 N/A THR 169.A N ASP 166.A O no hydrogen 3.131 N/A THR 169.A OG1 LYS 165.A O no hydrogen 2.656 N/A ARG 170.A N ASP 166.A O no hydrogen 2.870 N/A ARG 170.A NE ASP 166.A OD1 no hydrogen 2.650 N/A ARG 170.A NH2 ASP 166.A OD1 no hydrogen 3.451 N/A ARG 170.A NH2 ASP 166.A OD2 no hydrogen 3.107 N/A HIS 171.A NE2 ARG 129.A O no hydrogen 3.133 N/A LYS 172.A NZ THR 169.A O no hydrogen 2.923 N/A SER 175.A N HIS 171.A O no hydrogen 2.862 N/A SER 175.A OG.A LEU 168.A O no hydrogen 2.627 N/A SER 175.A OG.B LEU 167.A O no hydrogen 3.090 N/A SER 175.A OG.B HIS 171.A O no hydrogen 2.963 N/A ALA 176.A N LYS 172.A O no hydrogen 2.910 N/A GLU 177.A N LEU 173.A O no hydrogen 2.912 N/A PHE 178.A N LEU 174.A O no hydrogen 2.969 N/A LEU 179.A N SER 175.A O no hydrogen 2.894 N/A GLU 180.A N ALA 176.A O no hydrogen 3.161 N/A GLN 181.A N GLU 177.A O no hydrogen 3.143 N/A HIS 182.A N PHE 178.A O no hydrogen 2.921 N/A HIS 182.A ND1 PHE 178.A O no hydrogen 3.094 N/A ARG 185.A NH1 GLU 141.A OE1 no hydrogen 2.577 N/A ARG 185.A NH1 GLU 141.A OE2 no hydrogen 3.377 N/A ARG 185.A NH2 GLU 141.A OE2 no hydrogen 2.785 N/A PHE 186.A N HIS 182.A O no hydrogen 2.964 N/A PHE 187.A N TYR 183.A O no hydrogen 2.933 N/A SER 188.A N ASP 184.A O no hydrogen 3.025 N/A GLU 189.A N ARG 185.A O no hydrogen 3.121 N/A TYR 190.A N PHE 186.A O no hydrogen 2.849 N/A TYR 190.A OH SER 205.A O no hydrogen 2.686 N/A GLU 191.A N PHE 187.A O no hydrogen 2.867 N/A LYS 192.A N GLU 189.A O no hydrogen 3.078 N/A LYS 192.A NZ GLU 189.A OE2 no hydrogen 2.868 N/A LEU 193.A N TYR 190.A O no hydrogen 2.793 N/A LEU 194.A N TYR 190.A O no hydrogen 3.284 N/A LEU 194.A N GLU 191.A O no hydrogen 3.103 N/A HIS 195.A N LYS 192.A O no hydrogen 3.079 N/A HIS 195.A ND1 GLU 191.A O no hydrogen 3.208 N/A SER 196.A N LEU 193.A O no hydrogen 3.010 N/A SER 196.A OG GLU 151.A OE1 no hydrogen 2.555 N/A SER 196.A OG ASN 198.A O no hydrogen 3.370 N/A ASN 198.A N SER 196.A OG no hydrogen 2.965 N/A VAL 200.A N ASN 198.A OD1 no hydrogen 2.838 N/A THR 201.A N ASN 198.A OD1 no hydrogen 3.243 N/A THR 201.A OG1 VAL 150.A O no hydrogen 2.800 N/A LYS 202.A N ASN 198.A O no hydrogen 2.985 N/A LYS 202.A NZ ASP 238.A OD1 no hydrogen 3.256 N/A ARG 203.A N TYR 199.A O no hydrogen 2.913 N/A GLN 204.A N VAL 200.A O no hydrogen 2.860 N/A SER 205.A N THR 201.A O no hydrogen 2.739 N/A SER 205.A OG THR 201.A O no hydrogen 2.660 N/A LEU 206.A N LYS 202.A O no hydrogen 2.962 N/A LYS 207.A N ARG 203.A O no hydrogen 2.973 N/A LYS 207.A NZ GLU 211.A OE2 no hydrogen 3.562 N/A LEU 208.A N GLN 204.A O no hydrogen 2.929 N/A LEU 209.A N SER 205.A O no hydrogen 2.885 N/A GLY 210.A N LEU 206.A O no hydrogen 3.172 N/A GLU 211.A N LYS 207.A O no hydrogen 3.095 N/A LEU 212.A N LEU 208.A O no hydrogen 2.800 N/A LEU 213.A N LEU 209.A O no hydrogen 2.904 N/A LEU 214.A N GLY 210.A O no hydrogen 3.156 N/A ASP 215.A N LEU 212.A O no hydrogen 3.425 N/A HIS 217.A N ASP 215.A OD2 no hydrogen 2.818 N/A HIS 217.A ND1 ASP 215.A OD2 no hydrogen 2.635 N/A ASN 218.A N ASP 215.A O no hydrogen 2.896 N/A ASN 218.A ND2 LEU 212.A O no hydrogen 2.740 N/A PHE 219.A N ARG 216.A O no hydrogen 3.314 N/A THR 222.A OG1 PHE 219.A O no hydrogen 2.955 N/A LYS 223.A N THR 220.A O no hydrogen 3.140 N/A TYR 224.A N ILE 221.A O no hydrogen 2.916 N/A SER 226.A N LYS 223.A O no hydrogen 3.172 N/A SER 226.A OG LYS 223.A O no hydrogen 2.747 N/A LYS 227.A N TYR 224.A O no hydrogen 3.405 N/A ASN 230.A N LYS 227.A O no hydrogen 2.977 N/A ASN 230.A ND2 TYR 224.A O no hydrogen 2.972 N/A LEU 231.A N LYS 227.A O no hydrogen 3.266 N/A LYS 232.A N PRO 228.A O no hydrogen 2.859 N/A LYS 232.A NZ.A GLU 229.A OE2 no hydrogen 3.082 N/A LYS 232.A NZ.B GLU 229.A OE2 no hydrogen 3.246 N/A LEU 233.A N GLU 229.A O no hydrogen 3.072 N/A LEU 235.A N LEU 233.A O no hydrogen 2.978 N/A ARG 237.A N ASN 234.A O no hydrogen 2.989 N/A ASP 238.A N LEU 235.A O no hydrogen 3.089 N/A SER 240.A N ASP 238.A OD2 no hydrogen 2.907 N/A ARG 241.A NH2 ASP 285.A OD1 no hydrogen 2.527 N/A ILE 243.A N SER 240.A OG no hydrogen 3.386 N/A GLN 244.A N SER 240.A O no hydrogen 3.007 N/A GLN 244.A NE2 ASP 238.A O no hydrogen 2.637 N/A PHE 245.A N ARG 241.A O no hydrogen 2.942 N/A GLU 246.A N ASN 242.A O no hydrogen 2.890 N/A ALA 247.A N ILE 243.A O no hydrogen 2.785 N/A PHE 248.A N GLN 244.A O no hydrogen 2.834 N/A HIS 249.A N PHE 245.A O no hydrogen 3.366 N/A PHE 251.A N ALA 247.A O no hydrogen 2.827 N/A LYS 252.A N PHE 248.A O no hydrogen 2.899 N/A VAL 253.A N VAL 250.A O no hydrogen 2.699 N/A PHE 254.A N VAL 250.A O no hydrogen 3.359 N/A VAL 255.A N PHE 251.A O no hydrogen 3.180 N/A ALA 256.A N LYS 252.A O no hydrogen 2.829 N/A ASN 257.A N VAL 253.A O no hydrogen 3.383 N/A ASN 257.A ND2 ASN 259.A O no hydrogen 3.333 N/A ASN 259.A N ASN 257.A OD1 no hydrogen 2.969 N/A LYS 260.A NZ VAL 255.A O no hydrogen 3.031 N/A LYS 260.A NZ ASN 257.A O no hydrogen 2.866 N/A THR 261.A OG1 SER 226.A O no hydrogen 3.442 N/A ILE 264.A N THR 261.A O no hydrogen 3.114 N/A LEU 265.A N THR 261.A O no hydrogen 3.009 N/A ASP 266.A N GLN 262.A O no hydrogen 2.801 N/A ILE 267.A N PRO 263.A O no hydrogen 3.310 N/A LEU 268.A N ILE 264.A O no hydrogen 3.142 N/A LEU 269.A N LEU 265.A O no hydrogen 2.912 N/A LYS 270.A N ASP 266.A O no hydrogen 2.979 N/A ASN 271.A N ILE 267.A O no hydrogen 3.200 N/A ASN 271.A N LEU 268.A O no hydrogen 3.200 N/A ASN 271.A ND2 ILE 267.A O no hydrogen 2.831 N/A GLN 272.A N LEU 269.A O no hydrogen 3.212 N/A GLN 272.A NE2 ILE 302.A O no hydrogen 2.820 N/A LEU 275.A N ASN 271.A O no hydrogen 2.748 N/A ILE 276.A N GLN 272.A O no hydrogen 2.930 N/A GLU 277.A N ALA 273.A O no hydrogen 2.985 N/A PHE 278.A N LYS 274.A O no hydrogen 2.750 N/A LEU 279.A N LEU 275.A O no hydrogen 2.854 N/A SER 280.A N ILE 276.A O no hydrogen 3.099 N/A SER 280.A OG ILE 276.A O no hydrogen 2.782 N/A LYS 281.A N PHE 278.A O no hydrogen 3.105 N/A PHE 282.A N LEU 279.A O no hydrogen 3.435 N/A GLN 283.A NE2 ARG 241.A O no hydrogen 3.166 N/A GLN 283.A NE2 GLN 244.A OE1 no hydrogen 2.987 N/A ASN 284.A ND2.A SER 280.A O no hydrogen 2.992 N/A ARG 286.A N GLN 283.A O no hydrogen 2.913 N/A ARG 286.A NE GLN 283.A OE1 no hydrogen 2.659 N/A ARG 286.A NH2 GLN 283.A OE1 no hydrogen 2.726 N/A GLN 290.A N ASP 288.A O no hydrogen 2.791 N/A GLN 290.A N ASP 288.A OD1 no hydrogen 3.271 N/A PHE 291.A N ASP 288.A OD1 no hydrogen 3.055 N/A ASP 293.A N GLU 289.A O no hydrogen 3.011 N/A GLU 294.A N GLN 290.A O no hydrogen 2.987 N/A LYS 295.A N PHE 291.A O no hydrogen 2.989 N/A LYS 295.A NZ PHE 282.A O no hydrogen 2.497 N/A LYS 295.A NZ ASN 284.A OD1.A no hydrogen 2.624 N/A THR 296.A N ASN 292.A O no hydrogen 3.131 N/A THR 296.A OG1 ASN 292.A O no hydrogen 3.219 N/A TYR 297.A N ASP 293.A O no hydrogen 3.054 N/A LEU 298.A N GLU 294.A O no hydrogen 2.879 N/A VAL 299.A N LYS 295.A O no hydrogen 2.890 N/A LYS 300.A N THR 296.A O no hydrogen 3.183 N/A GLN 301.A N TYR 297.A O no hydrogen 2.907 N/A ILE 302.A N LEU 298.A O no hydrogen 2.896 N/A ARG 303.A N VAL 299.A O no hydrogen 2.988 N/A ASP 304.A N LYS 300.A O no hydrogen 2.937 N/A LEU 305.A N ILE 302.A O no hydrogen 3.237 N/A