Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3npx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 1.A OD1 no hydrogen 3.026 N/A SER 5.A N ASP 1.A O no hydrogen 2.931 N/A SER 5.A OG ASP 1.A O no hydrogen 3.390 N/A SER 5.A OG LEU 2.A O no hydrogen 3.088 N/A SER 6.A N LEU 2.A O no hydrogen 2.923 N/A SER 6.A OG LEU 2.A O no hydrogen 2.701 N/A LEU 7.A N LYS 3.A O no hydrogen 3.090 N/A ARG 8.A N ALA 4.A O no hydrogen 3.138 N/A ARG 8.A NH1 ASP 218.A OD1 no hydrogen 2.926 N/A ARG 8.A NH1 ASP 218.A OD2 no hydrogen 3.338 N/A ARG 8.A NH2 ALA 226.A O no hydrogen 3.524 N/A ALA 9.A N SER 5.A O no hydrogen 2.822 N/A LEU 10.A N SER 6.A O no hydrogen 2.952 N/A LYS 11.A N LEU 7.A O no hydrogen 3.075 N/A LEU 12.A N ARG 8.A O no hydrogen 3.291 N/A LEU 12.A N ALA 9.A O no hydrogen 2.994 N/A MET 13.A N LEU 10.A O no hydrogen 3.135 N/A HIS 14.A N PHE 233.A O no hydrogen 2.804 N/A LEU 15.A N ALA 43.A O no hydrogen 2.857 N/A ALA 16.A N ALA 235.A O no hydrogen 2.892 N/A THR 17.A OG1 ASP 21.A O no hydrogen 2.771 N/A THR 17.A OG1 ASP 22.A OD1 no hydrogen 3.214 N/A GLY 20.A N THR 17.A O no hydrogen 3.035 N/A ASP 21.A N ASN 19.A OD1 no hydrogen 2.977 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.001 N/A LYS 26.A NZ ASN 19.A OD1 no hydrogen 2.771 N/A LYS 26.A NZ ASP 21.A O no hydrogen 2.933 N/A VAL 27.A N THR 23.A O no hydrogen 2.857 N/A ILE 28.A N ASP 24.A O no hydrogen 2.918 N/A ALA 29.A N GLU 25.A O no hydrogen 3.100 N/A LEU 30.A N LYS 26.A O no hydrogen 2.908 N/A CYS 31.A N VAL 27.A O no hydrogen 2.997 N/A CYS 31.A SG VAL 27.A O no hydrogen 3.345 N/A CYS 31.A SG ALA 54.A O no hydrogen 3.767 N/A HIS 32.A N ILE 28.A O no hydrogen 3.198 N/A HIS 32.A ND1 GLN 61.A OE1 no hydrogen 2.760 N/A GLN 33.A N ALA 29.A O no hydrogen 2.906 N/A ALA 34.A N LEU 30.A O no hydrogen 2.998 N/A ALA 34.A N CYS 31.A O no hydrogen 3.283 N/A LYS 35.A N HIS 32.A O no hydrogen 3.182 N/A LYS 35.A NZ GLN 61.A O no hydrogen 2.716 N/A THR 36.A N GLY 39.A O no hydrogen 3.054 N/A THR 36.A OG1 GLY 39.A O no hydrogen 2.576 N/A VAL 38.A N THR 36.A OG1 no hydrogen 3.153 N/A GLY 39.A N THR 36.A O no hydrogen 3.272 N/A THR 41.A N ALA 34.A O no hydrogen 3.069 N/A THR 41.A OG1 ALA 43.A O no hydrogen 3.101 N/A ALA 43.A N MET 13.A O no hydrogen 3.123 N/A ILE 44.A N ARG 67.A O no hydrogen 2.987 N/A PHE 45.A N LEU 15.A O no hydrogen 2.855 N/A ILE 46.A N TRP 69.A O no hydrogen 3.082 N/A TYR 47.A N ASP 22.A OD2 no hydrogen 2.821 N/A PHE 50.A N TYR 47.A O no hydrogen 3.077 N/A ILE 51.A N PRO 48.A O no hydrogen 2.994 N/A ALA 54.A N PHE 50.A O no hydrogen 3.047 N/A ARG 55.A N ILE 51.A O no hydrogen 2.848 N/A ARG 55.A NH1 ASP 97.A OD2 no hydrogen 2.978 N/A ARG 55.A NH2 GLY 95.A O no hydrogen 2.674 N/A ARG 55.A NH2 ASP 97.A OD1 no hydrogen 3.395 N/A ARG 55.A NH2 ASP 97.A OD2 no hydrogen 3.144 N/A LYS 56.A N PRO 52.A O no hydrogen 3.120 N/A THR 57.A N ILE 53.A O no hydrogen 2.933 N/A THR 57.A OG1 ILE 53.A O no hydrogen 2.801 N/A LEU 58.A N ALA 54.A O no hydrogen 2.862 N/A LYS 59.A N ARG 55.A O no hydrogen 3.049 N/A GLU 60.A N LYS 56.A O no hydrogen 2.972 N/A GLN 61.A N THR 57.A O no hydrogen 3.106 N/A GLN 61.A NE2 CYS 31.A O no hydrogen 2.971 N/A GLN 61.A NE2 THR 63.A OG1 no hydrogen 2.790 N/A GLY 62.A N LYS 59.A O no hydrogen 2.930 N/A THR 63.A N LEU 58.A O no hydrogen 2.890 N/A THR 63.A OG1 LEU 58.A O no hydrogen 3.428 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.800 N/A ILE 66.A N THR 63.A O no hydrogen 3.233 N/A ARG 67.A N ASP 42.A O no hydrogen 2.992 N/A ARG 67.A NH1 ASP 42.A OD1 no hydrogen 3.543 N/A ILE 68.A N ASP 97.A OD2 no hydrogen 2.793 N/A TRP 69.A N ILE 44.A O no hydrogen 2.868 N/A THR 70.A N GLY 98.A O no hydrogen 3.079 N/A THR 70.A OG1 ILE 46.A O no hydrogen 2.767 N/A SER 71.A N THR 70.A OG1 no hydrogen 2.849 N/A THR 72.A N ALA 100.A O no hydrogen 2.947 N/A THR 72.A OG1 THR 88.A OG1 no hydrogen 3.150 N/A ASN 73.A N GLU 87.A OE1 no hydrogen 2.762 N/A ASN 73.A ND2 ASN 78.A O no hydrogen 2.862 N/A ASN 73.A ND2 VAL 102.A O no hydrogen 2.947 N/A GLY 77.A N ASN 73.A O no hydrogen 2.988 N/A ILE 83.A N ASP 80.A OD1 no hydrogen 2.991 N/A ALA 84.A N ASP 80.A O no hydrogen 3.106 N/A LEU 85.A N ILE 81.A O no hydrogen 2.843 N/A ALA 86.A N ASP 82.A O no hydrogen 3.027 N/A GLU 87.A N ILE 83.A O no hydrogen 3.041 N/A THR 88.A N ALA 84.A O no hydrogen 2.981 N/A THR 88.A OG1 THR 72.A OG1 no hydrogen 3.150 N/A THR 88.A OG1 ALA 84.A O no hydrogen 2.871 N/A ARG 89.A N LEU 85.A O no hydrogen 2.824 N/A ALA 90.A N ALA 86.A O no hydrogen 2.982 N/A ALA 91.A N GLU 87.A O no hydrogen 2.837 N/A ILE 92.A N THR 88.A O no hydrogen 3.043 N/A ALA 93.A N ARG 89.A O no hydrogen 3.009 N/A TYR 94.A N ALA 90.A O no hydrogen 2.849 N/A GLY 95.A N ILE 92.A O no hydrogen 2.986 N/A ALA 96.A N ALA 91.A O no hydrogen 3.144 N/A ASP 97.A N ILE 68.A O no hydrogen 2.840 N/A GLY 98.A N ILE 68.A O no hydrogen 3.329 N/A VAL 99.A N LEU 133.A O no hydrogen 2.879 N/A ALA 100.A N THR 70.A O no hydrogen 2.833 N/A VAL 101.A N SER 135.A O no hydrogen 2.899 N/A VAL 102.A N THR 72.A O no hydrogen 3.072 N/A PHE 103.A N ILE 137.A O no hydrogen 2.827 N/A TYR 105.A N PHE 103.A O no hydrogen 2.780 N/A ARG 106.A NH1 HIS 76.A O no hydrogen 2.711 N/A ARG 106.A NH2 HIS 76.A O no hydrogen 3.022 N/A LEU 108.A N PRO 104.A O no hydrogen 3.201 N/A MET 109.A N TYR 105.A O no hydrogen 2.864 N/A ALA 110.A N ARG 106.A O no hydrogen 3.007 N/A GLY 111.A N LEU 108.A O no hydrogen 2.782 N/A ASN 112.A N ALA 107.A O no hydrogen 2.881 N/A GLN 114.A NE2 ASP 118.A OD1 no hydrogen 2.901 N/A VAL 115.A N ASN 112.A OD1 no hydrogen 3.038 N/A PHE 117.A N GLU 113.A O no hydrogen 3.333 N/A ASP 118.A N GLN 114.A O no hydrogen 2.932 N/A LEU 119.A N VAL 115.A O no hydrogen 2.824 N/A VAL 120.A N GLY 116.A O no hydrogen 3.059 N/A LYS 121.A N PHE 117.A O no hydrogen 2.975 N/A LYS 121.A NZ GLU 125.A OE2 no hydrogen 3.407 N/A ALA 122.A N ASP 118.A O no hydrogen 3.021 N/A CYS 123.A N LEU 119.A O no hydrogen 3.200 N/A CYS 123.A SG THR 88.A OG1 no hydrogen 3.341 N/A CYS 123.A SG LEU 119.A O no hydrogen 3.496 N/A LYS 124.A N VAL 120.A O no hydrogen 2.761 N/A LYS 124.A NZ GLY 160.A O no hydrogen 2.730 N/A LYS 124.A NZ ASP 162.A OD1 no hydrogen 3.431 N/A GLU 125.A N LYS 121.A O no hydrogen 3.013 N/A ALA 126.A N ALA 122.A O no hydrogen 3.370 N/A CYS 127.A N CYS 123.A O no hydrogen 3.026 N/A CYS 127.A SG CYS 123.A O no hydrogen 3.440 N/A ALA 128.A N LYS 124.A O no hydrogen 2.779 N/A ALA 129.A N GLU 125.A O no hydrogen 3.213 N/A ALA 130.A N CYS 127.A O no hydrogen 2.974 N/A ASN 131.A N ALA 128.A O no hydrogen 3.157 N/A VAL 132.A N CYS 127.A O no hydrogen 2.887 N/A LEU 133.A N ASP 97.A O no hydrogen 3.109 N/A LEU 134.A N ASP 162.A OD2 no hydrogen 2.782 N/A SER 135.A N VAL 99.A O no hydrogen 2.805 N/A SER 135.A OG.B HIS 163.A ND1 no hydrogen 3.162 N/A VAL 136.A N HIS 163.A O no hydrogen 2.961 N/A ILE 137.A N VAL 101.A O no hydrogen 2.870 N/A ILE 138.A N VAL 165.A O no hydrogen 3.017 N/A THR 140.A N THR 166.A O no hydrogen 2.876 N/A THR 140.A OG1 THR 166.A O no hydrogen 3.478 N/A GLU 142.A N GLU 139.A O no hydrogen 2.966 N/A LEU 143.A N GLU 139.A O no hydrogen 3.042 N/A LYS 144.A N THR 140.A O no hydrogen 2.897 N/A ASP 145.A N LEU 143.A O no hydrogen 2.708 N/A ILE 149.A N ASP 145.A O no hydrogen 2.937 N/A ARG 150.A N GLU 146.A O no hydrogen 2.960 N/A ARG 150.A NE GLU 146.A OE2 no hydrogen 3.404 N/A ARG 150.A NH1 GLU 185.A OE1 no hydrogen 3.145 N/A ARG 150.A NH2 GLU 146.A OE2 no hydrogen 2.720 N/A ARG 150.A NH2 GLU 185.A OE1 no hydrogen 2.745 N/A LYS 151.A N ALA 147.A O no hydrogen 3.021 N/A LYS 151.A NZ GLU 154.A OE1 no hydrogen 2.950 N/A ALA 152.A N LEU 148.A O no hydrogen 2.922 N/A SER 153.A N ILE 149.A O no hydrogen 3.096 N/A SER 153.A OG ILE 149.A O no hydrogen 2.820 N/A GLU 154.A N ARG 150.A O no hydrogen 2.881 N/A ILE 155.A N LYS 151.A O no hydrogen 2.936 N/A SER 156.A N ALA 152.A O no hydrogen 3.038 N/A SER 156.A OG ALA 152.A O no hydrogen 2.807 N/A ILE 157.A N SER 153.A O no hydrogen 2.992 N/A LYS 158.A N GLU 154.A O no hydrogen 2.937 N/A LYS 158.A NZ GLU 154.A OE2 no hydrogen 3.312 N/A ALA 159.A N ILE 155.A O no hydrogen 2.906 N/A GLY 160.A N ILE 157.A O no hydrogen 3.099 N/A ALA 161.A N SER 156.A O no hydrogen 2.919 N/A ASP 162.A N LEU 134.A O no hydrogen 2.783 N/A HIS 163.A N LEU 134.A O no hydrogen 3.413 N/A HIS 163.A NE2 ARG 229.A O no hydrogen 2.816 N/A ILE 164.A N GLY 197.A O no hydrogen 2.951 N/A VAL 165.A N VAL 136.A O no hydrogen 2.810 N/A THR 166.A N ILE 199.A O no hydrogen 3.009 N/A THR 166.A OG1 SER 167.A OG no hydrogen 2.867 N/A THR 166.A OG1 ALA 201.A O no hydrogen 3.032 N/A SER 167.A OG THR 166.A OG1 no hydrogen 2.867 N/A SER 167.A OG ALA 201.A O no hydrogen 3.222 N/A THR 168.A N GLU 139.A OE1 no hydrogen 3.119 N/A THR 168.A OG1 GLU 139.A OE1 no hydrogen 3.542 N/A THR 168.A OG1 GLU 139.A OE2 no hydrogen 2.665 N/A LYS 170.A N THR 168.A OG1 no hydrogen 2.862 N/A LYS 170.A NZ GLY 20.A O no hydrogen 3.511 N/A ALA 175.A N ALA 201.A O no hydrogen 2.887 N/A ALA 175.A N GLY 202.A O no hydrogen 3.136 N/A THR 176.A N SER 179.A OG.A no hydrogen 2.972 N/A THR 176.A OG1 SER 179.A OG.A no hydrogen 3.221 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.809 N/A SER 179.A N THR 176.A OG1 no hydrogen 3.062 N/A SER 179.A OG.A THR 176.A O no hydrogen 3.093 N/A SER 179.A OG.A THR 176.A OG1 no hydrogen 3.221 N/A ALA 180.A N THR 176.A O no hydrogen 2.914 N/A ARG 181.A N PRO 177.A O no hydrogen 2.998 N/A ARG 181.A NH1 GLU 219.A OE2 no hydrogen 2.788 N/A ARG 181.A NH2 GLU 219.A OE1 no hydrogen 3.423 N/A ARG 181.A NH2 GLU 219.A OE2 no hydrogen 3.318 N/A ILE 182.A N GLU 178.A O no hydrogen 3.078 N/A MET 183.A N SER 179.A O no hydrogen 3.039 N/A MET 184.A N ALA 180.A O no hydrogen 2.933 N/A GLU 185.A N ARG 181.A O no hydrogen 2.817 N/A VAL 186.A N ILE 182.A O no hydrogen 3.133 N/A ILE 187.A N MET 183.A O no hydrogen 3.235 N/A ARG 188.A N MET 184.A O no hydrogen 2.950 N/A ARG 188.A NE ASP 189.A OD1 no hydrogen 2.759 N/A ARG 188.A NH2 ASP 189.A OD1 no hydrogen 3.005 N/A ASP 189.A N GLU 185.A O no hydrogen 2.709 N/A MET 190.A N VAL 186.A O no hydrogen 2.892 N/A GLY 191.A N ARG 188.A O no hydrogen 2.945 N/A VAL 192.A N ILE 187.A O no hydrogen 3.026 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.885 N/A THR 195.A N VAL 192.A O no hydrogen 2.969 N/A THR 195.A OG1 VAL 192.A O no hydrogen 3.290 N/A VAL 196.A N VAL 192.A O no hydrogen 2.840 N/A GLY 197.A N ASP 162.A O no hydrogen 2.938 N/A PHE 198.A N HIS 230.A O no hydrogen 2.879 N/A ILE 199.A N ILE 164.A O no hydrogen 2.955 N/A ALA 201.A N THR 166.A OG1 no hydrogen 2.910 N/A ARG 205.A N GLU 209.A OE1 no hydrogen 2.777 N/A THR 206.A N GLU 209.A OE1 no hydrogen 3.133 N/A ALA 207.A N SER 241.A OG no hydrogen 2.901 N/A GLU 208.A N GLU 208.A OE2 no hydrogen 2.807 N/A GLU 209.A N THR 206.A OG1 no hydrogen 3.147 N/A ALA 210.A N THR 206.A O no hydrogen 3.036 N/A GLN 211.A N ALA 207.A O no hydrogen 2.944 N/A LYS 212.A N GLU 208.A O no hydrogen 3.226 N/A TYR 213.A N GLU 209.A O no hydrogen 3.134 N/A LEU 214.A N ALA 210.A O no hydrogen 3.126 N/A ALA 215.A N GLN 211.A O no hydrogen 2.964 N/A ILE 216.A N LYS 212.A O no hydrogen 3.086 N/A ALA 217.A N TYR 213.A O no hydrogen 3.345 N/A ASP 218.A N LEU 214.A O no hydrogen 2.837 N/A GLU 219.A N ALA 215.A O no hydrogen 3.034 N/A LEU 220.A N ILE 216.A O no hydrogen 2.958 N/A PHE 221.A N ALA 217.A O no hydrogen 2.890 N/A GLY 222.A N ASP 218.A O no hydrogen 2.748 N/A TRP 225.A N GLY 222.A O no hydrogen 3.286 N/A TRP 225.A NE1 GLU 193.A O no hydrogen 2.773 N/A ASP 227.A N TRP 225.A O no hydrogen 2.766 N/A ARG 229.A NH1 ASP 162.A O no hydrogen 3.000 N/A ARG 229.A NH1 ARG 229.A O no hydrogen 2.911 N/A ARG 229.A NH2 THR 195.A O no hydrogen 2.925 N/A HIS 230.A N ASP 227.A O no hydrogen 2.954 N/A HIS 230.A N ASP 227.A OD1 no hydrogen 3.086 N/A HIS 230.A ND1 ASP 227.A OD1 no hydrogen 2.658 N/A HIS 230.A NE2 LYS 194.A O no hydrogen 2.942 N/A ALA 232.A N PHE 198.A O no hydrogen 3.311 N/A PHE 233.A N LEU 12.A O no hydrogen 3.199 N/A GLY 234.A N PRO 200.A O no hydrogen 3.047 N/A ALA 235.A N HIS 14.A O no hydrogen 3.477 N/A LEU 239.A N SER 236.A O no hydrogen 3.076 N/A LEU 242.A N LEU 238.A O no hydrogen 2.897 N/A LEU 243.A N LEU 239.A O no hydrogen 2.924 N/A LYS 244.A N ALA 240.A O no hydrogen 2.987 N/A ALA 245.A N SER 241.A O no hydrogen 2.944 N/A LEU 246.A N LEU 242.A O no hydrogen 3.109 N/A GLY 247.A N LYS 244.A O no hydrogen 3.124 N/A TYR 248.A N LEU 243.A O no hydrogen 2.755 N/A