Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3et2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ASP 3.A OD1 no hydrogen 3.342 N/A LYS 5.A N ALA 2.A O no hydrogen 2.940 N/A ALA 6.A N ASP 3.A O no hydrogen 2.668 N/A PHE 7.A N ASP 3.A O no hydrogen 2.961 N/A SER 8.A N LEU 4.A O no hydrogen 2.919 N/A SER 8.A OG LEU 4.A O no hydrogen 3.120 N/A HIS 10.A N ALA 6.A O no hydrogen 2.902 N/A HIS 10.A NE2 SER 92.A O no hydrogen 2.929 N/A ILE 11.A N PHE 7.A O no hydrogen 3.034 N/A TYR 12.A N SER 8.A O no hydrogen 2.788 N/A ASN 13.A N LYS 9.A O no hydrogen 2.921 N/A ALA 14.A N HIS 10.A O no hydrogen 2.945 N/A TYR 15.A N ILE 11.A O no hydrogen 2.950 N/A TYR 15.A OH ASP 171.A OD1 no hydrogen 2.635 N/A LEU 16.A N TYR 12.A O no hydrogen 2.793 N/A LYS 17.A N ASN 13.A O no hydrogen 2.944 N/A ASN 18.A N ALA 14.A O no hydrogen 3.237 N/A ASN 18.A N TYR 15.A O no hydrogen 3.279 N/A ASN 18.A ND2 ALA 14.A O no hydrogen 2.761 N/A ASN 18.A ND2 SER 92.A OG no hydrogen 3.138 N/A PHE 19.A N TYR 15.A O no hydrogen 3.252 N/A ASN 20.A N GLU 85.A OE1 no hydrogen 3.529 N/A ASN 20.A N GLU 85.A OE2 no hydrogen 3.076 N/A LYS 23.A N ASP 171.A OD1 no hydrogen 2.876 N/A LYS 23.A NZ LEU 169.A O no hydrogen 2.954 N/A LYS 24.A N ASP 171.A OD2 no hydrogen 3.043 N/A LYS 25.A N THR 22.A OG1 no hydrogen 3.146 N/A ALA 26.A N THR 22.A O no hydrogen 2.977 N/A ARG 27.A N LYS 23.A O no hydrogen 2.740 N/A ARG 27.A NH1 SER 122.A O no hydrogen 2.792 N/A ARG 27.A NH1 VAL 124.A O no hydrogen 2.749 N/A ARG 27.A NH2 VAL 124.A O no hydrogen 3.271 N/A SER 28.A N LYS 24.A O no hydrogen 3.078 N/A SER 28.A OG LYS 25.A O no hydrogen 3.241 N/A SER 28.A OG SER 35.A OG no hydrogen 3.327 N/A ILE 29.A N LYS 25.A O no hydrogen 3.097 N/A LEU 30.A N ALA 26.A O no hydrogen 2.935 N/A THR 31.A N ARG 27.A O no hydrogen 2.911 N/A THR 31.A OG1 ARG 27.A O no hydrogen 2.662 N/A THR 31.A OG1 SER 28.A O no hydrogen 3.136 N/A GLY 32.A N ILE 29.A O no hydrogen 2.848 N/A LYS 33.A N THR 31.A O no hydrogen 2.662 N/A THR 37.A OG1 SER 35.A O no hydrogen 3.367 N/A PHE 40.A N SER 135.A O no hydrogen 2.908 N/A ILE 42.A N PHE 137.A O no hydrogen 2.723 N/A HIS 43.A N THR 47.A OG1 no hydrogen 2.854 N/A ASP 44.A N THR 47.A OG1 no hydrogen 3.115 N/A THR 47.A N ASP 44.A OD1 no hydrogen 2.814 N/A THR 47.A OG1 ASP 44.A O no hydrogen 3.161 N/A THR 47.A OG1 ASP 44.A OD1 no hydrogen 2.864 N/A LEU 48.A N ASP 44.A O no hydrogen 2.909 N/A TRP 49.A N ILE 45.A O no hydrogen 2.909 N/A GLN 50.A N GLU 46.A O no hydrogen 2.903 N/A GLN 50.A NE2 GLU 46.A OE2 no hydrogen 2.621 N/A ALA 51.A N THR 47.A O no hydrogen 2.869 N/A GLU 52.A N LEU 48.A O no hydrogen 3.016 N/A LYS 53.A N TRP 49.A O no hydrogen 2.807 N/A LYS 53.A N GLN 50.A O no hydrogen 3.208 N/A GLY 54.A N ALA 51.A O no hydrogen 3.374 N/A VAL 56.A N ALA 51.A O no hydrogen 3.220 N/A TRP 57.A N ALA 51.A O no hydrogen 3.002 N/A LYS 65.A NZ GLU 252.A OE2 no hydrogen 2.855 N/A HIS 70.A N GLU 66.A O no hydrogen 2.832 N/A HIS 70.A NE2 GLU 52.A OE2 no hydrogen 2.691 N/A VAL 71.A N ILE 67.A O no hydrogen 3.033 N/A PHE 72.A N SER 68.A O no hydrogen 3.161 N/A TYR 73.A N VAL 69.A O no hydrogen 2.761 N/A ARG 74.A N HIS 70.A O no hydrogen 3.013 N/A ARG 74.A NE GLU 52.A OE2 no hydrogen 3.199 N/A ARG 74.A NH2 GLU 52.A OE1 no hydrogen 2.537 N/A ARG 74.A NH2 GLU 52.A OE2 no hydrogen 3.363 N/A CYS 75.A N VAL 71.A O no hydrogen 2.938 N/A CYS 75.A SG VAL 71.A O no hydrogen 3.569 N/A GLN 76.A N PHE 72.A O no hydrogen 2.783 N/A GLN 76.A NE2 SER 254.A O no hydrogen 3.008 N/A CYS 77.A N TYR 73.A O no hydrogen 2.968 N/A CYS 77.A SG ASN 59.A OD1 no hydrogen 3.271 N/A THR 78.A N ARG 74.A O no hydrogen 3.104 N/A THR 78.A OG1 ARG 74.A O no hydrogen 3.247 N/A THR 79.A N CYS 75.A O no hydrogen 2.792 N/A THR 79.A OG1 CYS 75.A O no hydrogen 3.031 N/A VAL 80.A N GLN 76.A O no hydrogen 3.001 N/A GLU 81.A N CYS 77.A O no hydrogen 3.162 N/A THR 82.A N THR 78.A O no hydrogen 2.947 N/A THR 82.A OG1 THR 78.A O no hydrogen 2.911 N/A VAL 83.A N THR 79.A O no hydrogen 2.907 N/A ARG 84.A N VAL 80.A O no hydrogen 3.079 N/A ARG 84.A NE GLU 81.A OE1 no hydrogen 3.466 N/A GLU 85.A N GLU 81.A O no hydrogen 3.020 N/A LEU 86.A N THR 82.A O no hydrogen 2.906 N/A THR 87.A N VAL 83.A O no hydrogen 2.877 N/A THR 87.A OG1 VAL 83.A O no hydrogen 2.722 N/A GLU 88.A N ARG 84.A O no hydrogen 3.143 N/A PHE 89.A N GLU 85.A O no hydrogen 2.786 N/A ALA 90.A N LEU 86.A O no hydrogen 2.898 N/A LYS 91.A N THR 87.A O no hydrogen 3.093 N/A LYS 91.A NZ GLU 88.A OE1 no hydrogen 3.092 N/A LYS 91.A NZ GLU 88.A OE2 no hydrogen 2.764 N/A SER 92.A N GLU 88.A O no hydrogen 3.038 N/A SER 92.A N PHE 89.A O no hydrogen 3.010 N/A SER 92.A OG GLU 88.A O no hydrogen 3.003 N/A ILE 93.A N ALA 90.A O no hydrogen 2.883 N/A SER 97.A N ILE 93.A O no hydrogen 3.098 N/A SER 97.A OG LYS 91.A O no hydrogen 2.840 N/A SER 98.A N PRO 94.A O no hydrogen 3.130 N/A SER 98.A N SER 95.A O no hydrogen 3.043 N/A SER 98.A OG SER 95.A O no hydrogen 2.802 N/A LEU 99.A N PHE 96.A O no hydrogen 3.115 N/A GLN 104.A N PHE 100.A O no hydrogen 3.132 N/A GLN 104.A NE2 LEU 99.A O no hydrogen 2.886 N/A VAL 105.A N LEU 101.A O no hydrogen 3.032 N/A THR 106.A N ASN 102.A O no hydrogen 3.083 N/A THR 106.A OG1 ASN 102.A O no hydrogen 3.160 N/A LEU 107.A N ASP 103.A O no hydrogen 2.996 N/A LEU 108.A N GLN 104.A O no hydrogen 2.996 N/A LYS 109.A N VAL 105.A O no hydrogen 2.755 N/A LYS 109.A NZ GLU 261.A O no hydrogen 2.872 N/A LYS 109.A NZ ILE 262.A O no hydrogen 2.758 N/A LYS 109.A NZ LYS 264.A O no hydrogen 2.655 N/A TYR 110.A N THR 106.A O no hydrogen 3.188 N/A GLY 111.A N LEU 108.A O no hydrogen 3.220 N/A VAL 112.A N LEU 108.A O no hydrogen 3.035 N/A ALA 115.A N GLY 111.A O no hydrogen 2.906 N/A ILE 116.A N VAL 112.A O no hydrogen 2.616 N/A PHE 117.A N HIS 113.A O no hydrogen 2.825 N/A ALA 118.A N GLU 114.A O no hydrogen 3.078 N/A MET 119.A N ALA 115.A O no hydrogen 2.953 N/A LEU 120.A N ILE 116.A O no hydrogen 2.852 N/A ALA 121.A N ALA 118.A O no hydrogen 3.318 N/A SER 122.A N MET 119.A O no hydrogen 2.962 N/A ILE 123.A N LEU 120.A O no hydrogen 2.948 N/A VAL 124.A N ALA 121.A O no hydrogen 3.292 N/A ASN 125.A N GLY 128.A O no hydrogen 2.979 N/A LYS 126.A NZ ASP 127.A OD1 no hydrogen 3.533 N/A ASP 127.A N ASN 125.A OD1 no hydrogen 2.557 N/A GLY 128.A N ASN 125.A O no hydrogen 3.343 N/A GLY 128.A N ASN 125.A OD1 no hydrogen 3.064 N/A LEU 129.A N VAL 138.A O no hydrogen 2.838 N/A LEU 130.A N ILE 123.A O no hydrogen 2.908 N/A VAL 131.A N GLY 136.A O no hydrogen 2.892 N/A SER 135.A N ALA 132.A O no hydrogen 2.656 N/A SER 135.A OG ALA 132.A O no hydrogen 2.630 N/A GLY 136.A N VAL 131.A O no hydrogen 3.050 N/A PHE 137.A N PHE 40.A O no hydrogen 2.884 N/A VAL 138.A N LEU 129.A O no hydrogen 2.849 N/A THR 139.A N ILE 42.A O no hydrogen 3.107 N/A ARG 140.A N ASP 127.A O no hydrogen 2.805 N/A ARG 140.A NE GLU 155.A OE1 no hydrogen 3.465 N/A ARG 140.A NE GLU 155.A OE2 no hydrogen 3.380 N/A ARG 140.A NH1 LYS 126.A O no hydrogen 3.008 N/A ARG 140.A NH2 GLU 155.A OE2 no hydrogen 2.800 N/A PHE 142.A N THR 139.A OG1 no hydrogen 3.142 N/A LEU 143.A N THR 139.A O no hydrogen 3.253 N/A ARG 144.A N ARG 140.A O no hydrogen 3.005 N/A ARG 144.A NH2 GLU 155.A OE2 no hydrogen 3.337 N/A SER 145.A N PHE 142.A O no hydrogen 2.795 N/A SER 145.A OG PHE 142.A O no hydrogen 2.638 N/A LEU 146.A N LEU 143.A O no hydrogen 3.320 N/A ARG 147.A N SER 68.A OG no hydrogen 2.786 N/A ARG 147.A NE GLU 66.A OE1 no hydrogen 3.087 N/A ARG 147.A NH1 GLU 250.A OE2 no hydrogen 2.994 N/A ARG 147.A NH2 GLU 66.A OE2 no hydrogen 2.856 N/A ARG 147.A NH2 GLU 250.A OE1 no hydrogen 3.054 N/A LYS 148.A NZ ASP 152.A OD2 no hydrogen 3.007 N/A PHE 150.A N ARG 147.A O no hydrogen 2.868 N/A SER 151.A N ARG 147.A O no hydrogen 3.358 N/A ASP 152.A N PRO 149.A O no hydrogen 3.049 N/A LYS 157.A N ILE 154.A O no hydrogen 2.846 N/A LYS 157.A NZ ILE 153.A O no hydrogen 2.801 N/A LYS 157.A NZ HIS 239.A ND1 no hydrogen 2.837 N/A PHE 158.A N ILE 154.A O no hydrogen 3.209 N/A GLU 159.A N GLU 155.A O no hydrogen 3.146 N/A PHE 160.A N PRO 156.A O no hydrogen 3.028 N/A ALA 161.A N LYS 157.A O no hydrogen 2.890 N/A VAL 162.A N PHE 158.A O no hydrogen 2.879 N/A PHE 164.A N PHE 160.A O no hydrogen 2.785 N/A ASN 165.A N ALA 161.A O no hydrogen 2.816 N/A ASN 165.A ND2 ALA 121.A O no hydrogen 2.907 N/A ALA 166.A N LYS 163.A O no hydrogen 3.167 N/A LEU 167.A N PHE 164.A O no hydrogen 3.067 N/A GLU 168.A N ASN 165.A O no hydrogen 3.011 N/A ASP 170.A N ASP 173.A OD2 no hydrogen 2.798 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.659 N/A SER 172.A OG HIS 210.A NE2 no hydrogen 2.866 N/A ASP 173.A N ASP 170.A OD1 no hydrogen 3.007 N/A LEU 174.A N ASP 170.A O no hydrogen 2.889 N/A ALA 175.A N ASP 171.A O no hydrogen 2.788 N/A PHE 177.A N ASP 173.A O no hydrogen 3.031 N/A ILE 178.A N LEU 174.A O no hydrogen 2.787 N/A ALA 179.A N ALA 175.A O no hydrogen 3.105 N/A ALA 180.A N LEU 176.A O no hydrogen 2.993 N/A ILE 181.A N PHE 177.A O no hydrogen 3.109 N/A ILE 182.A N ILE 178.A O no hydrogen 2.906 N/A LEU 183.A N ALA 179.A O no hydrogen 2.815 N/A CYS 184.A N ILE 182.A O no hydrogen 2.898 N/A CYS 184.A SG ASP 186.A OD1 no hydrogen 3.712 N/A ARG 187.A NH1 GLU 114.A OE1 no hydrogen 3.559 N/A ARG 187.A NH1 GLU 114.A OE2 no hydrogen 2.916 N/A ARG 187.A NH2 GLU 114.A OE1 no hydrogen 2.748 N/A ARG 187.A NH2 ILE 181.A O no hydrogen 3.093 N/A LEU 190.A N ARG 187.A O no hydrogen 3.366 N/A MET 191.A N ASP 103.A OD1 no hydrogen 2.713 N/A ASN 192.A N ASP 103.A OD2 no hydrogen 2.893 N/A ARG 195.A N ASN 192.A OD1 no hydrogen 3.049 N/A VAL 196.A N ASN 192.A O no hydrogen 3.275 N/A GLU 197.A N VAL 193.A O no hydrogen 2.950 N/A ALA 198.A N PRO 194.A O no hydrogen 2.863 N/A ILE 199.A N ARG 195.A O no hydrogen 2.993 N/A GLN 200.A N VAL 196.A O no hydrogen 2.653 N/A ASP 201.A N GLU 197.A O no hydrogen 2.947 N/A THR 202.A N ALA 198.A O no hydrogen 3.326 N/A THR 202.A OG1 ALA 198.A O no hydrogen 3.524 N/A ILE 203.A N ILE 199.A O no hydrogen 3.170 N/A LEU 204.A N GLN 200.A O no hydrogen 2.906 N/A ARG 205.A N ASP 201.A O no hydrogen 2.925 N/A ALA 206.A N THR 202.A O no hydrogen 2.729 N/A LEU 207.A N ILE 203.A O no hydrogen 2.839 N/A GLU 208.A N LEU 204.A O no hydrogen 3.060 N/A PHE 209.A N ARG 205.A O no hydrogen 2.990 N/A HIS 210.A N ALA 206.A O no hydrogen 2.801 N/A HIS 210.A NE2 SER 172.A OG no hydrogen 2.866 N/A LEU 211.A N LEU 207.A O no hydrogen 2.852 N/A GLN 212.A N GLU 208.A O no hydrogen 3.076 N/A ALA 213.A N PHE 209.A O no hydrogen 3.195 N/A ASN 214.A N HIS 210.A O no hydrogen 2.762 N/A ASN 214.A ND2 ASP 170.A OD2 no hydrogen 2.904 N/A ASN 214.A ND2 ASP 173.A OD1 no hydrogen 2.884 N/A HIS 215.A N LEU 211.A O no hydrogen 2.699 N/A HIS 215.A NE2 ASP 173.A OD2 no hydrogen 2.912 N/A ALA 218.A N HIS 215.A O no hydrogen 3.155 N/A LYS 224.A N TYR 220.A O no hydrogen 3.033 N/A LEU 225.A N LEU 221.A O no hydrogen 3.071 N/A LEU 226.A N PHE 222.A O no hydrogen 3.061 N/A GLN 227.A N PRO 223.A O no hydrogen 3.004 N/A LYS 228.A N LYS 224.A O no hydrogen 2.931 N/A MET 229.A N LEU 225.A O no hydrogen 3.037 N/A ALA 230.A N LEU 226.A O no hydrogen 3.404 N/A ASP 231.A N GLN 227.A O no hydrogen 2.885 N/A LEU 232.A N LYS 228.A O no hydrogen 2.796 N/A ARG 233.A N MET 229.A O no hydrogen 3.252 N/A GLN 234.A N ALA 230.A O no hydrogen 3.211 N/A LEU 235.A N ASP 231.A O no hydrogen 2.907 N/A VAL 236.A N LEU 232.A O no hydrogen 2.887 N/A THR 237.A N ARG 233.A O no hydrogen 3.148 N/A THR 237.A OG1 ARG 233.A O no hydrogen 3.302 N/A GLU 238.A N GLN 234.A O no hydrogen 3.170 N/A HIS 239.A N LEU 235.A O no hydrogen 2.950 N/A ALA 240.A N VAL 236.A O no hydrogen 2.786 N/A GLN 241.A N THR 237.A O no hydrogen 3.095 N/A MET 242.A N GLU 238.A O no hydrogen 2.881 N/A MET 243.A N HIS 239.A O no hydrogen 2.894 N/A GLN 244.A N ALA 240.A O no hydrogen 2.869 N/A ARG 245.A N GLN 241.A O no hydrogen 3.030 N/A ILE 246.A N MET 242.A O no hydrogen 2.973 N/A LYS 247.A N MET 243.A O no hydrogen 3.144 N/A LYS 247.A NZ GLN 260.A OE1 no hydrogen 2.956 N/A LYS 248.A N GLN 244.A O no hydrogen 3.117 N/A LYS 248.A N ARG 245.A O no hydrogen 3.228 N/A THR 249.A N ARG 245.A O no hydrogen 2.900 N/A THR 249.A OG1 ARG 245.A O no hydrogen 2.738 N/A GLU 250.A N ILE 246.A O no hydrogen 2.927 N/A THR 253.A N GLU 250.A O no hydrogen 3.055 N/A SER 254.A N TYR 73.A OH no hydrogen 2.849 N/A HIS 256.A N GLN 76.A OE1 no hydrogen 2.700 N/A LEU 258.A N HIS 256.A ND1 no hydrogen 3.051 N/A GLN 260.A N HIS 256.A O no hydrogen 2.928 N/A GLU 261.A N PRO 257.A O no hydrogen 2.935 N/A ILE 262.A N LEU 258.A O no hydrogen 3.158 N/A TYR 263.A N LEU 259.A O no hydrogen 3.054 N/A TYR 263.A OH HIS 113.A NE2 no hydrogen 2.914 N/A LYS 264.A N GLN 260.A O no hydrogen 3.015 N/A