Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3o0k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 9.A N ILE 17.A O no hydrogen 2.720 N/A LEU 11.A N ASN 15.A O no hydrogen 2.765 N/A ASN 12.A ND2 THR 159.A O no hydrogen 3.624 N/A ASN 12.A ND2 PRO 160.A O no hydrogen 3.175 N/A ASN 12.A ND2 ASP 184.A O no hydrogen 2.893 N/A GLY 14.A N LEU 11.A O no hydrogen 2.950 N/A ASN 15.A N ASP 13.A OD1 no hydrogen 2.912 N/A ILE 17.A N VAL 9.A O no hydrogen 3.065 N/A GLN 19.A N PRO 7.A O no hydrogen 2.716 N/A GLN 19.A NE2 ILE 223.A O no hydrogen 3.023 N/A GLN 19.A NE2 ASN 227.A O no hydrogen 2.912 N/A GLY 21.A N VAL 229.A O no hydrogen 2.903 N/A TYR 22.A N HIS 46.A O no hydrogen 2.857 N/A TYR 22.A OH SER 233.A O no hydrogen 2.847 N/A GLY 23.A N PRO 231.A O no hydrogen 2.935 N/A VAL 24.A N ASP 48.A O no hydrogen 2.883 N/A ILE 27.A N TRP 25.A O no hydrogen 2.693 N/A SER 28.A N GLU 31.A OE1 no hydrogen 3.107 N/A GLU 31.A N SER 28.A OG no hydrogen 3.104 N/A ALA 32.A N SER 28.A O no hydrogen 2.800 N/A VAL 33.A N ASN 29.A O no hydrogen 2.981 N/A SER 34.A N ASP 30.A O no hydrogen 3.306 N/A ALA 35.A N GLU 31.A O no hydrogen 2.888 N/A VAL 36.A N ALA 32.A O no hydrogen 2.864 N/A SER 37.A N VAL 33.A O no hydrogen 2.965 N/A SER 37.A OG.B VAL 33.A O no hydrogen 2.811 N/A GLU 38.A N SER 34.A O no hydrogen 2.921 N/A ALA 39.A N ALA 35.A O no hydrogen 2.845 N/A LEU 40.A N VAL 36.A O no hydrogen 2.854 N/A LYS 41.A N SER 37.A O no hydrogen 2.883 N/A ALA 42.A N GLU 38.A O no hydrogen 2.815 N/A GLY 43.A N ALA 39.A O no hydrogen 3.106 N/A GLY 43.A N LEU 40.A O no hydrogen 3.175 N/A TYR 44.A N ALA 39.A O no hydrogen 3.069 N/A TYR 44.A OH ILE 239.A O no hydrogen 2.640 N/A ARG 45.A NH1 LEU 40.A O no hydrogen 2.879 N/A ARG 45.A NH1 TYR 44.A O no hydrogen 2.695 N/A HIS 46.A ND1 PRO 18.A O no hydrogen 2.860 N/A ILE 47.A N PHE 74.A O no hydrogen 2.739 N/A ASP 48.A N TYR 22.A O no hydrogen 2.882 N/A THR 49.A N THR 76.A O no hydrogen 2.986 N/A THR 49.A OG1 ASN 55.A OD1 no hydrogen 2.714 N/A ALA 50.A N THR 49.A OG1 no hydrogen 2.653 N/A THR 51.A N LYS 78.A O no hydrogen 3.178 N/A THR 51.A OG1 GLU 56.A OE2 no hydrogen 2.768 N/A THR 51.A OG1 LYS 78.A O no hydrogen 2.990 N/A THR 51.A OG1 SER 96.A OG no hydrogen 3.148 N/A TYR 53.A N ALA 50.A O no hydrogen 2.863 N/A GLY 54.A N THR 51.A O no hydrogen 3.064 N/A ASN 55.A ND2 TRP 25.A O no hydrogen 2.887 N/A ASN 55.A ND2 ILE 27.A O no hydrogen 3.238 N/A GLY 58.A N ASN 29.A OD1 no hydrogen 3.012 N/A VAL 59.A N ASN 55.A O no hydrogen 2.977 N/A GLY 60.A N GLU 56.A O no hydrogen 2.888 N/A LYS 61.A N GLU 57.A O no hydrogen 2.782 N/A ALA 62.A N GLY 58.A O no hydrogen 3.056 N/A ILE 63.A N VAL 59.A O no hydrogen 3.031 N/A ASN 64.A N GLY 60.A O no hydrogen 2.966 N/A ASN 64.A ND2 LEU 100.A O no hydrogen 2.975 N/A ASN 64.A ND2 GLY 101.A O no hydrogen 3.107 N/A GLY 65.A N LYS 61.A O no hydrogen 3.004 N/A SER 66.A N ILE 63.A O no hydrogen 3.376 N/A SER 66.A OG ILE 63.A O no hydrogen 2.777 N/A ILE 68.A N SER 66.A OG no hydrogen 3.191 N/A ARG 70.A NE THR 102.A OG1 no hydrogen 3.066 N/A ARG 70.A NH1 ARG 70.A O no hydrogen 2.990 N/A ARG 70.A NH1 ASP 106.A OD2 no hydrogen 3.050 N/A ARG 70.A NH2 TYR 104.A O no hydrogen 2.939 N/A ARG 70.A NH2 ASP 106.A OD2 no hydrogen 3.050 N/A ASP 72.A N ALA 69.A O no hydrogen 2.983 N/A ILE 73.A N ARG 70.A O no hydrogen 3.141 N/A PHE 74.A N ARG 45.A O no hydrogen 2.780 N/A LEU 75.A N ASP 106.A OD2 no hydrogen 2.928 N/A THR 76.A N ILE 47.A O no hydrogen 2.924 N/A THR 77.A N LEU 107.A O no hydrogen 3.110 N/A THR 77.A OG1 GLU 56.A OE2 no hydrogen 2.676 N/A LYS 78.A NZ ASP 48.A OD1 no hydrogen 2.588 N/A LYS 78.A NZ THR 49.A O no hydrogen 2.768 N/A LEU 79.A N LEU 109.A O no hydrogen 2.902 N/A ASP 83.A N TRP 80.A O no hydrogen 2.889 N/A GLN 84.A N ASN 81.A O no hydrogen 3.219 N/A GLN 84.A NE2 TRP 112.A O no hydrogen 2.903 N/A GLY 85.A N THR 123.A OG1 no hydrogen 2.915 N/A SER 88.A OG ASP 83.A O no hydrogen 2.771 N/A SER 88.A OG GLN 84.A O no hydrogen 2.948 N/A THR 89.A N GLY 85.A O no hydrogen 3.131 N/A THR 89.A OG1 ASP 83.A O no hydrogen 3.375 N/A THR 89.A OG1 GLY 85.A O no hydrogen 2.717 N/A LEU 90.A N TYR 86.A O no hydrogen 3.235 N/A LYS 91.A N GLU 87.A O no hydrogen 2.984 N/A ALA 92.A N SER 88.A O no hydrogen 2.942 N/A PHE 93.A N THR 89.A O no hydrogen 2.880 N/A ASP 94.A N LEU 90.A O no hydrogen 3.106 N/A THR 95.A N LYS 91.A O no hydrogen 3.047 N/A THR 95.A OG1 LYS 91.A O no hydrogen 3.204 N/A SER 96.A N ALA 92.A O no hydrogen 2.859 N/A SER 96.A OG THR 51.A OG1 no hydrogen 3.148 N/A SER 96.A OG GLU 56.A OE1 no hydrogen 2.841 N/A SER 96.A OG GLU 56.A OE2 no hydrogen 3.079 N/A SER 96.A OG ALA 92.A O no hydrogen 3.404 N/A LEU 97.A N PHE 93.A O no hydrogen 2.769 N/A LYS 98.A N ASP 94.A O no hydrogen 2.981 N/A LYS 99.A N THR 95.A O no hydrogen 2.934 N/A LEU 100.A N SER 96.A O no hydrogen 2.866 N/A GLY 101.A N LEU 97.A O no hydrogen 2.813 N/A VAL 105.A N ARG 135.A O no hydrogen 3.136 N/A ASP 106.A N LEU 75.A O no hydrogen 2.971 N/A LEU 107.A N LEU 75.A O no hydrogen 3.154 N/A TYR 108.A N SER 138.A O no hydrogen 3.154 N/A LEU 109.A N THR 77.A O no hydrogen 3.034 N/A ILE 110.A N GLY 140.A O no hydrogen 3.043 N/A HIS 111.A N LEU 79.A O no hydrogen 3.036 N/A LEU 119.A N SER 116.A OG no hydrogen 3.095 N/A PHE 120.A N SER 116.A O no hydrogen 2.954 N/A MET 121.A N LYS 117.A O no hydrogen 2.868 N/A GLU 122.A N ASP 118.A O no hydrogen 3.118 N/A THR 123.A N LEU 119.A O no hydrogen 3.060 N/A THR 123.A OG1 LEU 119.A O no hydrogen 3.161 N/A TRP 124.A N PHE 120.A O no hydrogen 2.790 N/A TRP 124.A NE1 VAL 158.A O no hydrogen 3.153 N/A ARG 125.A N MET 121.A O no hydrogen 2.798 N/A ARG 125.A NE GLU 122.A OE2 no hydrogen 2.861 N/A ARG 125.A NH2 GLU 122.A OE1 no hydrogen 2.831 N/A ARG 125.A NH2 GLU 122.A OE2 no hydrogen 3.355 N/A ALA 126.A N GLU 122.A O no hydrogen 2.976 N/A PHE 127.A N THR 123.A O no hydrogen 2.864 N/A ILE 128.A N TRP 124.A O no hydrogen 2.912 N/A LYS 129.A N ARG 125.A O no hydrogen 3.243 N/A LEU 130.A N ALA 126.A O no hydrogen 2.955 N/A LYS 131.A N PHE 127.A O no hydrogen 2.827 N/A GLU 132.A N ILE 128.A O no hydrogen 2.748 N/A GLU 133.A N LYS 129.A O no hydrogen 2.883 N/A GLY 134.A N LYS 131.A O no hydrogen 2.948 N/A ARG 135.A N LEU 130.A O no hydrogen 3.085 N/A ARG 135.A NH1 ASP 94.A OD1 no hydrogen 3.172 N/A ARG 135.A NH2 ASP 94.A OD1 no hydrogen 2.909 N/A VAL 136.A N LEU 130.A O no hydrogen 3.380 N/A LYS 137.A N VAL 105.A O no hydrogen 3.019 N/A LYS 137.A NZ GLY 134.A O no hydrogen 2.789 N/A SER 138.A N ASP 106.A O no hydrogen 2.865 N/A SER 138.A OG ASP 13.A OD1 no hydrogen 3.527 N/A SER 138.A OG ASP 13.A OD2 no hydrogen 2.681 N/A SER 138.A OG ASN 15.A OD1 no hydrogen 2.993 N/A GLY 140.A N TYR 108.A O no hydrogen 3.077 N/A VAL 141.A N LEU 162.A O no hydrogen 3.096 N/A SER 142.A N ILE 110.A O no hydrogen 2.825 N/A SER 142.A OG HIS 111.A O no hydrogen 3.378 N/A SER 142.A OG GLN 164.A O no hydrogen 3.139 N/A ASN 143.A N GLN 164.A O no hydrogen 2.893 N/A ASN 143.A ND2 HIS 111.A O no hydrogen 3.015 N/A PHE 144.A N ASN 163.A OD1 no hydrogen 3.128 N/A ARG 145.A N ASP 148.A OD2 no hydrogen 2.871 N/A ARG 145.A NE ASP 148.A OD2 no hydrogen 2.706 N/A ARG 145.A NH2 ASP 148.A OD1 no hydrogen 3.046 N/A ARG 145.A NH2 ASP 148.A OD2 no hydrogen 3.463 N/A ASP 148.A N ARG 145.A O no hydrogen 3.015 N/A LEU 149.A N ARG 145.A O no hydrogen 3.019 N/A GLU 150.A N THR 146.A O no hydrogen 2.857 N/A ARG 151.A N ALA 147.A O no hydrogen 3.288 N/A LEU 152.A N ASP 148.A O no hydrogen 3.000 N/A ILE 153.A N LEU 149.A O no hydrogen 2.923 N/A LYS 154.A N GLU 150.A O no hydrogen 2.892 N/A GLU 155.A N ARG 151.A O no hydrogen 2.892 N/A SER 156.A N LEU 152.A O no hydrogen 3.136 N/A SER 156.A OG LEU 152.A O no hydrogen 2.614 N/A GLY 157.A N ILE 153.A O no hydrogen 3.036 N/A VAL 158.A N SER 156.A OG no hydrogen 3.074 N/A VAL 161.A N ILE 139.A O no hydrogen 2.986 N/A ASN 163.A N ALA 186.A O no hydrogen 3.068 N/A ASN 163.A ND2 PHE 144.A O no hydrogen 2.917 N/A ASN 163.A ND2 HIS 180.A NE2 no hydrogen 3.166 N/A GLN 164.A N VAL 141.A O no hydrogen 2.905 N/A ILE 165.A N GLU 188.A O no hydrogen 2.710 N/A LEU 167.A N TRP 190.A O no hydrogen 3.266 N/A HIS 168.A N PHE 171.A O no hydrogen 3.084 N/A HIS 168.A NE2 GLU 166.A OE2 no hydrogen 3.070 N/A PHE 171.A N HIS 168.A O no hydrogen 2.790 N/A GLN 172.A N ASP 262.A OD2 no hydrogen 2.914 N/A GLN 172.A NE2 PRO 169.A O no hydrogen 2.733 N/A GLN 172.A NE2 ILE 258.A O no hydrogen 2.989 N/A GLN 173.A NE2 GLU 166.A O no hydrogen 2.733 N/A ARG 177.A N GLN 173.A O no hydrogen 2.995 N/A ARG 177.A NE GLN 172.A O no hydrogen 2.822 N/A ARG 177.A NH2 GLN 172.A O no hydrogen 3.124 N/A LEU 178.A N ASP 174.A O no hydrogen 2.958 N/A PHE 179.A N GLU 175.A O no hydrogen 3.018 N/A HIS 180.A N LEU 176.A O no hydrogen 2.763 N/A HIS 180.A ND1 THR 187.A OG1 no hydrogen 2.732 N/A GLY 181.A N ARG 177.A O no hydrogen 2.999 N/A LYS 182.A N LEU 178.A O no hydrogen 3.031 N/A HIS 183.A N PHE 179.A O no hydrogen 3.061 N/A HIS 183.A N HIS 180.A O no hydrogen 3.111 N/A ILE 185.A N HIS 180.A O no hydrogen 2.959 N/A ALA 186.A N VAL 161.A O no hydrogen 2.847 N/A THR 187.A OG1 HIS 180.A ND1 no hydrogen 2.732 N/A GLU 188.A N ASN 163.A O no hydrogen 3.232 N/A ALA 189.A N ILE 228.A O no hydrogen 2.781 N/A TRP 190.A N ILE 165.A O no hydrogen 2.725 N/A TRP 190.A NE1 ASN 143.A OD1 no hydrogen 3.034 N/A GLY 194.A N SER 191.A O no hydrogen 2.933 N/A ASP 200.A N LEU 197.A O no hydrogen 3.332 N/A LEU 203.A N ASP 200.A OD2 no hydrogen 2.896 N/A LYS 204.A N ASP 200.A O no hydrogen 2.878 N/A SER 205.A N PRO 201.A O no hydrogen 2.856 N/A ILE 206.A N THR 202.A O no hydrogen 2.968 N/A ALA 207.A N LEU 203.A O no hydrogen 2.970 N/A GLU 208.A N LYS 204.A O no hydrogen 3.059 N/A LYS 209.A N SER 205.A O no hydrogen 2.986 N/A HIS 210.A N ILE 206.A O no hydrogen 3.040 N/A HIS 210.A NE2 ASP 254.A OD2 no hydrogen 2.602 N/A ALA 211.A N GLU 208.A O no hydrogen 2.923 N/A LYS 212.A N ALA 207.A O no hydrogen 3.019 N/A LYS 212.A NZ ASP 244.A O no hydrogen 2.922 N/A LYS 212.A NZ ASP 247.A OD1 no hydrogen 2.766 N/A LYS 212.A NZ ASP 247.A OD2 no hydrogen 3.216 N/A SER 213.A N GLN 216.A OE1 no hydrogen 2.960 N/A SER 213.A OG GLU 241.A OE2 no hydrogen 2.500 N/A GLN 216.A N SER 213.A OG no hydrogen 3.172 N/A GLN 216.A NE2 GLU 241.A O no hydrogen 2.842 N/A ILE 217.A N SER 213.A O no hydrogen 2.992 N/A ILE 218.A N VAL 214.A O no hydrogen 3.012 N/A LEU 219.A N ALA 215.A O no hydrogen 2.961 N/A ARG 220.A N GLN 216.A O no hydrogen 2.924 N/A ARG 220.A NE GLU 224.A OE2 no hydrogen 2.862 N/A ARG 220.A NH1 ILE 245.A O no hydrogen 2.931 N/A TRP 221.A N ILE 217.A O no hydrogen 2.876 N/A HIS 222.A N ILE 218.A O no hydrogen 3.088 N/A HIS 222.A ND1 ASN 227.A OD1 no hydrogen 3.050 N/A HIS 222.A NE2 PRO 192.A O no hydrogen 2.888 N/A ILE 223.A N LEU 219.A O no hydrogen 3.023 N/A GLU 224.A N ARG 220.A O no hydrogen 2.895 N/A THR 225.A N TRP 221.A O no hydrogen 3.019 N/A THR 225.A N HIS 222.A O no hydrogen 3.212 N/A THR 225.A OG1 TRP 221.A O no hydrogen 2.921 N/A THR 225.A OG1 HIS 222.A O no hydrogen 2.980 N/A GLY 226.A N ILE 223.A O no hydrogen 3.129 N/A ASN 227.A N HIS 222.A O no hydrogen 3.014 N/A ILE 228.A N THR 187.A O no hydrogen 3.006 N/A VAL 229.A N GLN 19.A O no hydrogen 2.898 N/A ILE 230.A N ALA 189.A O no hydrogen 3.354 N/A SER 233.A OG ASN 242.A OD1 no hydrogen 2.791 N/A ARG 238.A NE THR 235.A OG1 no hydrogen 3.022 N/A ILE 239.A N THR 235.A O no hydrogen 2.897 N/A LYS 240.A N PRO 236.A O no hydrogen 2.927 N/A GLU 241.A N ALA 237.A O no hydrogen 2.875 N/A ASN 242.A N ARG 238.A O no hydrogen 2.883 N/A PHE 243.A N LYS 240.A O no hydrogen 3.114 N/A ASP 244.A N GLU 241.A O no hydrogen 3.288 N/A ILE 245.A N PHE 243.A O no hydrogen 3.041 N/A THR 249.A OG1 LEU 250.A O no hydrogen 3.273 N/A LEU 250.A N GLU 224.A OE2 no hydrogen 2.886 N/A ASN 251.A N ASP 254.A OD2 no hydrogen 3.220 N/A THR 253.A OG1 ASN 251.A OD1 no hydrogen 2.702 N/A ASP 254.A N ASN 251.A OD1 no hydrogen 2.927 N/A HIS 255.A N ASN 251.A O no hydrogen 3.205 N/A HIS 255.A NE2 GLU 224.A OE1 no hydrogen 2.698 N/A ASP 256.A N GLY 252.A O no hydrogen 3.151 N/A ALA 257.A N THR 253.A O no hydrogen 2.975 N/A ILE 258.A N ASP 254.A O no hydrogen 3.060 N/A THR 259.A N HIS 255.A O no hydrogen 2.979 N/A THR 259.A OG1 HIS 255.A O no hydrogen 2.834 N/A LYS 260.A N ASP 256.A O no hydrogen 3.180 N/A LEU 261.A N ILE 258.A O no hydrogen 2.956 N/A ASP 262.A N THR 259.A O no hydrogen 3.268 N/A