Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r3j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 3.055 N/A GLN 5.A N ARG 22.A O no hydrogen 2.810 N/A VAL 7.A N LYS 20.A O no hydrogen 2.792 N/A GLU 8.A N LYS 20.A O no hydrogen 3.334 N/A ILE 10.A N VAL 18.A O no hydrogen 2.892 N/A VAL 18.A N GLY 11.A O no hydrogen 3.333 N/A TYR 19.A N LEU 32.A O.A no hydrogen 2.767 N/A TYR 19.A N LEU 32.A O.B no hydrogen 2.723 N/A LYS 20.A N GLU 8.A O no hydrogen 2.760 N/A ALA 21.A N VAL 30.A O no hydrogen 2.852 N/A ARG 22.A N GLN 5.A O no hydrogen 2.827 N/A ASN 23.A N GLU 28.A O no hydrogen 2.812 N/A LYS 24.A N ASN 3.A O no hydrogen 2.962 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.472 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.527 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.129 N/A GLY 27.A N ASN 23.A O no hydrogen 2.848 N/A VAL 30.A N ALA 21.A O no hydrogen 2.895 N/A ALA 31.A N PHE 73.A O no hydrogen 2.896 N/A LEU 32.A N.A TYR 19.A O no hydrogen 2.699 N/A LEU 32.A N.B TYR 19.A O no hydrogen 2.678 N/A LYS 33.A N LEU 71.A O no hydrogen 2.873 N/A LYS 33.A NZ ASP 138.A OD2 no hydrogen 3.336 N/A LYS 34.A N VAL 17.A O no hydrogen 3.233 N/A ILE 35.A N LEU 69.A O no hydrogen 2.898 N/A ARG 36.A N TYR 15.A O no hydrogen 2.829 N/A ARG 36.A N LYS 34.A O no hydrogen 3.644 N/A ILE 42.A N PRO 38.A O no hydrogen 3.176 N/A ARG 43.A N SER 39.A O no hydrogen 2.911 N/A GLU 44.A N THR 40.A O no hydrogen 2.986 N/A ILE 45.A N ALA 41.A O no hydrogen 2.853 N/A SER 46.A N ILE 42.A O no hydrogen 2.918 N/A SER 46.A OG ILE 42.A O no hydrogen 2.815 N/A LEU 47.A N ARG 43.A O no hydrogen 3.093 N/A LEU 47.A N GLU 44.A O no hydrogen 3.120 N/A LEU 48.A N GLU 44.A O no hydrogen 3.354 N/A LYS 49.A N SER 46.A O no hydrogen 3.306 N/A GLU 50.A N LEU 47.A O no hydrogen 3.053 N/A LEU 51.A N LEU 48.A O no hydrogen 3.115 N/A ASN 52.A N GLU 50.A O no hydrogen 2.917 N/A ASN 52.A ND2 LYS 49.A O no hydrogen 3.291 N/A ASN 55.A ND2 GLN 103.A OE1 no hydrogen 3.148 N/A ASN 55.A ND2 ILE 134.A O no hydrogen 2.889 N/A ILE 56.A N HIS 53.A O no hydrogen 3.080 N/A VAL 57.A N LEU 136.A O no hydrogen 2.830 N/A LYS 58.A N GLU 74.A OE1 no hydrogen 3.028 N/A LYS 58.A NZ ASN 52.A OD1 no hydrogen 3.221 N/A LEU 60.A N VAL 72.A O no hydrogen 2.628 N/A ASP 61.A N VAL 72.A O no hydrogen 3.146 N/A ILE 63.A N TYR 70.A O no hydrogen 2.737 N/A HIS 64.A ND1 LYS 68.A O no hydrogen 2.831 N/A THR 65.A N LYS 68.A O no hydrogen 2.830 N/A LYS 68.A N THR 65.A O no hydrogen 2.731 N/A LYS 68.A NZ TYR 70.A OH no hydrogen 2.818 N/A TYR 70.A N ILE 63.A O no hydrogen 2.737 N/A LEU 71.A N LYS 33.A O no hydrogen 2.875 N/A VAL 72.A N ASP 61.A O no hydrogen 2.815 N/A PHE 73.A N ALA 31.A O no hydrogen 2.771 N/A GLU 74.A N LYS 58.A O no hydrogen 2.886 N/A LEU 80.A N LEU 126.A O no hydrogen 2.702 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.814 N/A PHE 83.A N ASP 79.A O no hydrogen 3.175 N/A MET 84.A N LEU 80.A O no hydrogen 2.790 N/A ASP 85.A N LYS 81.A O no hydrogen 2.923 N/A ALA 86.A N LYS 82.A O no hydrogen 2.936 N/A SER 87.A N PHE 83.A O no hydrogen 2.932 N/A SER 87.A N MET 84.A O no hydrogen 3.258 N/A SER 87.A OG PHE 83.A O no hydrogen 3.077 N/A LEU 96.A N PRO 93.A O no hydrogen 2.921 N/A ILE 97.A N PRO 93.A O no hydrogen 2.999 N/A LYS 98.A N LEU 94.A O no hydrogen 2.854 N/A LYS 98.A NZ PHE 268.A O no hydrogen 3.025 N/A LYS 98.A NZ ASP 271.A OD1 no hydrogen 2.603 N/A LYS 98.A NZ ASP 271.A OD2 no hydrogen 3.567 N/A SER 99.A N PRO 95.A O no hydrogen 2.967 N/A SER 99.A OG THR 273.A O no hydrogen 3.444 N/A TYR 100.A N LEU 96.A O no hydrogen 2.975 N/A LEU 101.A N ILE 97.A O no hydrogen 2.819 N/A PHE 102.A N LYS 98.A O no hydrogen 2.830 N/A GLN 103.A N SER 99.A O no hydrogen 2.940 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.338 N/A GLN 103.A NE2 SER 99.A OG no hydrogen 3.088 N/A GLN 103.A NE2 GLY 132.A O no hydrogen 2.934 N/A LEU 104.A N TYR 100.A O no hydrogen 2.934 N/A LEU 105.A N LEU 101.A O no hydrogen 2.932 N/A GLN 106.A N PHE 102.A O no hydrogen 2.992 N/A GLY 107.A N GLN 103.A O no hydrogen 2.994 N/A LEU 108.A N.A LEU 104.A O no hydrogen 2.855 N/A LEU 108.A N.B LEU 104.A O no hydrogen 2.868 N/A ALA 109.A N LEU 105.A O no hydrogen 2.823 N/A PHE 110.A N GLN 106.A O no hydrogen 3.028 N/A CYS 111.A N GLY 107.A O no hydrogen 3.004 N/A CYS 111.A SG GLY 107.A O no hydrogen 3.560 N/A HIS 112.A N LEU 108.A O.A no hydrogen 2.757 N/A HIS 112.A N LEU 108.A O.B no hydrogen 2.742 N/A HIS 112.A NE2 ASP 168.A OD2 no hydrogen 2.912 N/A SER 113.A N ALA 109.A O no hydrogen 2.958 N/A SER 113.A OG PHE 110.A O no hydrogen 2.769 N/A HIS 114.A N CYS 111.A O no hydrogen 2.904 N/A ARG 115.A N HIS 112.A O no hydrogen 2.940 N/A VAL 116.A N CYS 111.A O no hydrogen 2.973 N/A HIS 118.A N ASP 168.A OD2 no hydrogen 2.833 N/A HIS 118.A NE2 ALA 137.A O no hydrogen 2.603 N/A ARG 119.A N ASP 168.A OD1 no hydrogen 2.798 N/A ARG 119.A NE ARG 119.A O no hydrogen 2.891 N/A ARG 119.A NH1 TYR 163.A OH no hydrogen 3.118 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 3.066 N/A LYS 122.A N ASN 125.A OD1 no hydrogen 3.029 N/A LYS 122.A NZ ASP 120.A OD2 no hydrogen 2.897 N/A GLN 124.A N GLN 124.A OE1 no hydrogen 2.730 N/A ASN 125.A N LYS 122.A O no hydrogen 2.862 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 2.922 N/A LEU 126.A N PRO 123.A O no hydrogen 3.167 N/A LEU 127.A N LYS 135.A O no hydrogen 2.831 N/A ILE 128.A N GLN 78.A O no hydrogen 2.820 N/A ASN 129.A N ALA 133.A O no hydrogen 3.200 N/A THR 130.A OG1 GLU 131.A OE2 no hydrogen 3.173 N/A GLU 131.A N ASN 129.A OD1 no hydrogen 2.965 N/A GLY 132.A N ASN 129.A O no hydrogen 3.476 N/A ALA 133.A N ASN 129.A OD1 no hydrogen 3.048 N/A ILE 134.A N GLN 103.A OE1 no hydrogen 3.097 N/A LYS 135.A N LEU 127.A O no hydrogen 2.738 N/A LYS 135.A NZ GLU 74.A OE1 no hydrogen 3.217 N/A LYS 135.A NZ GLU 74.A OE2 no hydrogen 2.916 N/A LEU 136.A N ASN 55.A O no hydrogen 2.879 N/A ALA 137.A N ASN 125.A O no hydrogen 2.949 N/A GLY 140.A N LEU 117.A O no hydrogen 3.289 N/A LEU 141.A N ASP 138.A O no hydrogen 3.312 N/A ALA 144.A N GLY 140.A O no hydrogen 3.447 N/A ALA 144.A N LEU 141.A O no hydrogen 2.726 N/A GLU 146.A N HIS 145.A O no hydrogen 2.256 N/A TYR 152.A OH GLU 178.A OE1 no hydrogen 2.667 N/A TYR 152.A OH GLU 178.A OE2 no hydrogen 3.399 N/A ARG 153.A N LEU 150.A O no hydrogen 3.115 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.836 N/A ILE 157.A N ALA 154.A O no hydrogen 3.182 N/A LEU 158.A N ALA 154.A O no hydrogen 3.247 N/A LEU 159.A N PRO 155.A O no hydrogen 2.774 N/A GLY 160.A N ILE 157.A O no hydrogen 3.085 N/A VAL 167.A N SER 164.A O no hydrogen 3.013 N/A ASP 168.A N THR 165.A O no hydrogen 3.003 N/A TRP 170.A N ALA 166.A O no hydrogen 3.086 N/A SER 171.A N VAL 167.A O no hydrogen 3.184 N/A SER 171.A OG TYR 152.A O no hydrogen 2.599 N/A SER 171.A OG VAL 167.A O no hydrogen 3.084 N/A LEU 172.A N ASP 168.A O no hydrogen 2.880 N/A GLY 173.A N ILE 169.A O no hydrogen 2.845 N/A CYS 174.A N TRP 170.A O no hydrogen 3.047 N/A CYS 174.A SG TRP 170.A O no hydrogen 3.569 N/A ILE 175.A N SER 171.A O no hydrogen 3.018 N/A PHE 176.A N LEU 172.A O no hydrogen 2.849 N/A ALA 177.A N GLY 173.A O no hydrogen 2.947 N/A GLU 178.A N CYS 174.A O no hydrogen 3.082 N/A MET 179.A N ILE 175.A O no hydrogen 2.880 N/A VAL 180.A N PHE 176.A O no hydrogen 3.118 N/A THR 181.A N ALA 177.A O no hydrogen 2.870 N/A THR 181.A OG1 ALA 177.A O no hydrogen 3.033 N/A THR 181.A OG1 ARG 183.A O.A no hydrogen 3.064 N/A THR 181.A OG1 ARG 183.A O.B no hydrogen 3.081 N/A ARG 182.A N GLU 178.A O no hydrogen 2.899 N/A ARG 182.A NH1 ALA 88.A O no hydrogen 3.169 N/A ARG 183.A N.A THR 181.A OG1 no hydrogen 3.357 N/A ARG 183.A N.B THR 181.A OG1 no hydrogen 3.341 N/A GLY 188.A N PHE 186.A O no hydrogen 2.938 N/A GLY 188.A N GLN 194.A OE1 no hydrogen 2.866 N/A ASP 189.A N ASP 193.A OD2 no hydrogen 2.989 N/A ASP 193.A N SER 190.A OG no hydrogen 2.967 N/A GLN 194.A N SER 190.A O no hydrogen 2.794 N/A GLN 194.A NE2 TRP 151.A O no hydrogen 3.152 N/A GLN 194.A NE2 PHE 186.A O no hydrogen 2.849 N/A LEU 195.A N.A GLU 191.A O no hydrogen 2.997 N/A LEU 195.A N.B GLU 191.A O no hydrogen 3.003 N/A PHE 196.A N ILE 192.A O no hydrogen 2.845 N/A ARG 197.A N ASP 193.A O no hydrogen 2.878 N/A ARG 197.A NE ASP 193.A OD2 no hydrogen 2.899 N/A ILE 198.A N GLN 194.A O no hydrogen 3.084 N/A PHE 199.A N LEU 195.A O.A no hydrogen 2.958 N/A PHE 199.A N LEU 195.A O.B no hydrogen 2.940 N/A ARG 200.A N PHE 196.A O no hydrogen 2.893 N/A THR 201.A N ILE 198.A O no hydrogen 3.181 N/A THR 201.A OG1 ARG 197.A O no hydrogen 3.478 N/A LEU 202.A N ILE 198.A O no hydrogen 2.833 N/A THR 204.A N TRP 226.A O no hydrogen 2.972 N/A THR 204.A OG1 PRO 224.A O no hydrogen 2.677 N/A VAL 209.A N ASP 206.A OD1 no hydrogen 3.136 N/A TRP 210.A N ASP 206.A O no hydrogen 2.836 N/A GLY 212.A N GLU 207.A OE1 no hydrogen 2.627 N/A VAL 213.A N TRP 210.A O no hydrogen 2.946 N/A THR 214.A N GLU 207.A OE2 no hydrogen 3.038 N/A THR 214.A OG1 GLU 207.A OE2 no hydrogen 2.597 N/A SER 215.A N.A GLY 212.A O no hydrogen 3.004 N/A SER 215.A N.B GLY 212.A O no hydrogen 2.982 N/A SER 215.A OG.A GLY 212.A O no hydrogen 2.888 N/A MET 216.A N.A VAL 213.A O no hydrogen 3.139 N/A MET 216.A N.B VAL 213.A O no hydrogen 3.125 N/A ASP 218.A N LEU 159.A O no hydrogen 2.864 N/A TYR 219.A N MET 216.A O.A no hydrogen 3.064 N/A TYR 219.A N MET 216.A O.B no hydrogen 3.038 N/A PHE 223.A N LYS 220.A O no hydrogen 2.918 N/A TRP 226.A N THR 204.A OG1 no hydrogen 2.954 N/A ARG 228.A NH1 LEU 202.A O no hydrogen 2.830 N/A GLN 229.A N THR 201.A O no hydrogen 2.749 N/A LYS 233.A N ASP 230.A O no hydrogen 2.923 N/A VAL 234.A N ASP 230.A O no hydrogen 3.184 N/A VAL 235.A N PHE 231.A O no hydrogen 2.888 N/A LEU 238.A N VAL 235.A O no hydrogen 2.770 N/A GLY 242.A N ASP 239.A OD1 no hydrogen 2.788 N/A ARG 243.A N ASP 239.A O no hydrogen 2.895 N/A ARG 243.A NH1 LEU 238.A O no hydrogen 2.547 N/A SER 244.A N GLU 240.A O no hydrogen 2.906 N/A SER 244.A OG HIS 266.A NE2 no hydrogen 3.035 N/A LEU 245.A N ASP 241.A O no hydrogen 2.963 N/A LEU 246.A N GLY 242.A O no hydrogen 2.848 N/A SER 247.A N ARG 243.A O no hydrogen 2.857 N/A SER 247.A OG SER 244.A O no hydrogen 2.657 N/A GLN 248.A N SER 244.A O no hydrogen 3.141 N/A MET 249.A N LEU 245.A O no hydrogen 3.058 N/A LEU 250.A N SER 247.A O no hydrogen 3.214 N/A TYR 252.A OH GLY 203.A O no hydrogen 2.732 N/A ASN 255.A N ASP 253.A OD1 no hydrogen 2.956 N/A ASN 255.A ND2 ASP 253.A OD1 no hydrogen 3.466 N/A LYS 256.A N ASP 253.A O no hydrogen 2.982 N/A LYS 256.A NZ VAL 209.A O no hydrogen 3.525 N/A ARG 257.A N ASP 253.A O no hydrogen 2.993 N/A ARG 257.A NE HIS 251.A O no hydrogen 2.813 N/A ARG 257.A NH1 GLU 156.A OE1 no hydrogen 3.224 N/A ARG 257.A NH1 GLU 156.A OE2 no hydrogen 2.757 N/A ARG 257.A NH1 ALA 166.A O no hydrogen 3.039 N/A ARG 257.A NH2 GLU 156.A OE1 no hydrogen 2.893 N/A ARG 257.A NH2 HIS 251.A O no hydrogen 3.011 N/A ILE 258.A N GLN 248.A O no hydrogen 3.019 N/A ALA 262.A N SER 259.A OG no hydrogen 3.012 N/A ALA 263.A N SER 259.A O no hydrogen 2.870 N/A LEU 264.A N ALA 260.A O no hydrogen 3.133 N/A ALA 265.A N ALA 262.A O no hydrogen 2.932 N/A HIS 266.A N ALA 263.A O no hydrogen 2.947 N/A HIS 266.A NE2 SER 244.A OG no hydrogen 3.035 N/A PHE 268.A N HIS 266.A ND1 no hydrogen 2.966 N/A PHE 269.A N HIS 266.A O no hydrogen 2.975 N/A GLN 270.A N PRO 267.A O no hydrogen 3.019 N/A VAL 272.A N PHE 269.A O no hydrogen 3.132 N/A ARG 280.A NE LEU 279.A O no hydrogen 3.257 N/A ARG 280.A NH2 LEU 279.A O no hydrogen 3.295 N/A