Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6hub_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG PHE 115.A O no hydrogen 3.359 N/A THR 6.A OG1 GLY 3.A O no hydrogen 2.713 N/A SER 8.A N ARG 12.A O no hydrogen 2.718 N/A SER 8.A OG GLU 10.A OE2 no hydrogen 3.526 N/A SER 8.A OG ARG 12.A O no hydrogen 3.198 N/A GLY 11.A N SER 8.A O no hydrogen 3.113 N/A PHE 14.A N THR 6.A O no hydrogen 3.366 N/A GLU 17.A N LEU 13.A O no hydrogen 3.075 N/A TYR 18.A N PHE 14.A O no hydrogen 2.865 N/A SER 19.A N GLN 15.A O no hydrogen 2.939 N/A SER 19.A OG GLN 15.A O no hydrogen 3.553 N/A SER 19.A OG VAL 16.A O no hydrogen 2.713 N/A LEU 20.A N VAL 16.A O no hydrogen 3.179 N/A GLU 21.A N TYR 18.A O no hydrogen 3.081 N/A ALA 22.A N TYR 18.A O no hydrogen 3.351 N/A ILE 23.A N SER 19.A O no hydrogen 3.142 N/A LYS 24.A N LEU 20.A O no hydrogen 3.249 N/A LYS 24.A NZ GLU 21.A OE1 no hydrogen 3.285 N/A LEU 25.A N GLU 21.A O no hydrogen 3.376 N/A GLY 26.A N ILE 23.A O no hydrogen 3.179 N/A SER 27.A OG GLU 43.A O no hydrogen 3.100 N/A THR 28.A N GLU 43.A OE2 no hydrogen 3.303 N/A THR 28.A OG1 GLU 43.A OE2 no hydrogen 3.499 N/A ALA 29.A N ILE 157.A O no hydrogen 2.949 N/A ILE 30.A N GLY 41.A O no hydrogen 2.764 N/A GLY 31.A N LYS 155.A O no hydrogen 2.770 N/A ILE 32.A N VAL 39.A O no hydrogen 2.967 N/A ALA 33.A N ASN 153.A O no hydrogen 2.802 N/A THR 34.A N GLY 37.A O no hydrogen 2.728 N/A THR 34.A OG1 GLY 37.A O no hydrogen 2.688 N/A LYS 35.A NZ SER 174.A O no hydrogen 3.200 N/A GLU 36.A N THR 34.A OG1 no hydrogen 3.211 N/A GLY 37.A N THR 34.A O no hydrogen 3.449 N/A VAL 38.A N ILE 207.A O no hydrogen 3.154 N/A VAL 39.A N ILE 32.A O no hydrogen 2.967 N/A LEU 40.A N SER 205.A O no hydrogen 2.834 N/A GLY 41.A N ILE 30.A O no hydrogen 2.887 N/A VAL 42.A N GLN 203.A O no hydrogen 3.004 N/A GLU 43.A N THR 28.A O no hydrogen 2.781 N/A LYS 44.A N ASN 201.A O no hydrogen 2.970 N/A LYS 44.A NZ SER 53.A O no hydrogen 3.128 N/A ARG 45.A NE GLU 43.A OE1 no hydrogen 3.158 N/A ARG 45.A NH1 LEU 25.A O no hydrogen 3.040 N/A ARG 45.A NH2 SER 159.A OG no hydrogen 2.770 N/A LEU 50.A N SER 48.A OG no hydrogen 3.319 N/A LEU 51.A N SER 48.A O no hydrogen 3.251 N/A SER 53.A OG ASN 200.A O no hydrogen 2.984 N/A SER 55.A N GLU 52.A O no hydrogen 3.123 N/A SER 55.A OG GLU 52.A O no hydrogen 2.896 N/A ILE 56.A N SER 53.A O no hydrogen 3.061 N/A LYS 58.A NZ SER 27.A OG no hydrogen 3.025 N/A LYS 58.A NZ LYS 44.A O no hydrogen 2.815 N/A VAL 60.A N CYS 68.A O no hydrogen 2.727 N/A ILE 62.A N ILE 66.A O no hydrogen 2.967 N/A ASP 63.A N ILE 66.A O no hydrogen 3.097 N/A ARG 64.A N ASP 63.A OD1 no hydrogen 2.937 N/A ARG 64.A NH1 GLN 210.A O no hydrogen 2.715 N/A HIS 65.A NE2 ILE 99.A O no hydrogen 2.758 N/A ILE 66.A N ASP 63.A O no hydrogen 3.295 N/A GLY 67.A N ALA 130.A O no hydrogen 2.746 N/A CYS 68.A N VAL 60.A O no hydrogen 2.828 N/A CYS 68.A SG ALA 69.A O no hydrogen 4.005 N/A ALA 69.A N LEU 128.A O no hydrogen 2.901 N/A MET 70.A N LYS 58.A O no hydrogen 3.095 N/A SER 71.A N ALA 126.A O no hydrogen 3.130 N/A SER 71.A OG SER 27.A O no hydrogen 2.576 N/A LEU 73.A N GLY 124.A O no hydrogen 2.738 N/A ASP 76.A N LEU 73.A O no hydrogen 3.037 N/A ALA 77.A N THR 74.A O no hydrogen 3.277 N/A ARG 78.A N ALA 75.A O no hydrogen 3.331 N/A ARG 78.A NH2 GLU 57.A O no hydrogen 3.099 N/A ILE 81.A N ALA 77.A O no hydrogen 2.812 N/A GLU 82.A N ARG 78.A O no hydrogen 2.922 N/A HIS 83.A N SER 79.A O no hydrogen 3.075 N/A HIS 83.A NE2 SER 107.A OG no hydrogen 2.940 N/A ALA 84.A N MET 80.A O no hydrogen 2.868 N/A ARG 85.A N ILE 81.A O no hydrogen 2.749 N/A ARG 85.A NE GLU 61.A O no hydrogen 2.813 N/A ARG 85.A NH2 GLU 61.A O no hydrogen 3.038 N/A THR 86.A N GLU 82.A O no hydrogen 3.011 N/A THR 86.A OG1 GLU 82.A O no hydrogen 2.719 N/A ALA 87.A N HIS 83.A O no hydrogen 2.802 N/A ALA 88.A N ALA 84.A O no hydrogen 2.886 N/A VAL 89.A N ARG 85.A O no hydrogen 2.963 N/A THR 90.A N THR 86.A O no hydrogen 2.822 N/A THR 90.A OG1 THR 86.A O no hydrogen 2.601 N/A HIS 91.A N ALA 87.A O no hydrogen 2.979 N/A HIS 91.A NE2 GLU 97.A OE1 no hydrogen 3.164 N/A ASN 92.A N ALA 88.A O no hydrogen 3.191 N/A ASN 92.A ND2 GLU 97.A O no hydrogen 3.026 N/A LEU 93.A N VAL 89.A O no hydrogen 2.925 N/A TYR 94.A N THR 90.A O no hydrogen 2.964 N/A TYR 95.A N HIS 91.A O no hydrogen 2.934 N/A ASP 96.A N ASN 92.A O no hydrogen 2.921 N/A ASN 100.A ND2 ASP 135.A OD1 no hydrogen 3.208 N/A VAL 101.A N ASP 133.A OD2 no hydrogen 3.040 N/A LEU 104.A N ASN 100.A O no hydrogen 2.991 N/A THR 105.A N VAL 101.A O no hydrogen 2.977 N/A THR 105.A OG1 VAL 101.A O no hydrogen 2.767 N/A GLN 106.A N GLU 102.A O no hydrogen 2.796 N/A SER 107.A N SER 103.A O no hydrogen 3.025 N/A SER 107.A OG HIS 83.A NE2 no hydrogen 2.940 N/A VAL 108.A N LEU 104.A O no hydrogen 3.041 N/A CYS 109.A N THR 105.A O no hydrogen 2.940 N/A CYS 109.A SG THR 105.A O no hydrogen 3.471 N/A CYS 109.A SG THR 148.A O no hydrogen 4.015 N/A ASP 110.A N GLN 106.A O no hydrogen 3.028 N/A LEU 111.A N VAL 108.A O no hydrogen 3.187 N/A ALA 112.A N CYS 109.A O no hydrogen 3.240 N/A ARG 114.A N LEU 111.A O no hydrogen 2.926 N/A PHE 115.A N LEU 113.A O no hydrogen 2.737 N/A GLY 116.A N MET 119.A O no hydrogen 3.208 N/A ARG 121.A NH1 ASP 76.A OD2 no hydrogen 2.664 N/A ARG 121.A NH1 PRO 122.A O no hydrogen 3.059 N/A ARG 121.A NH2 ASP 76.A OD1 no hydrogen 3.089 N/A ARG 121.A NH2 ASP 76.A OD2 no hydrogen 3.358 N/A GLY 124.A N ASP 76.A OD2 no hydrogen 2.877 N/A ALA 126.A N SER 71.A O no hydrogen 3.002 N/A LEU 127.A N ALA 143.A O no hydrogen 3.028 N/A LEU 128.A N ALA 69.A O no hydrogen 2.760 N/A ILE 129.A N PHE 141.A O no hydrogen 2.921 N/A ALA 130.A N GLY 67.A O no hydrogen 3.037 N/A GLY 131.A N GLN 139.A O no hydrogen 2.969 N/A HIS 132.A N HIS 65.A O no hydrogen 2.990 N/A ASP 133.A N GLY 137.A O no hydrogen 3.325 N/A ASP 136.A N ASP 133.A OD1 no hydrogen 2.895 N/A GLY 137.A N ASP 133.A O no hydrogen 2.911 N/A GLN 139.A N GLY 131.A O no hydrogen 2.873 N/A PHE 141.A N ILE 129.A O no hydrogen 2.835 N/A HIS 142.A N TYR 150.A O no hydrogen 2.869 N/A ALA 143.A N LEU 127.A O no hydrogen 2.836 N/A GLU 144.A N THR 148.A O no hydrogen 3.208 N/A THR 148.A N SER 146.A OG no hydrogen 3.354 N/A TYR 150.A N HIS 142.A O no hydrogen 3.342 N/A TYR 152.A N LEU 140.A O no hydrogen 2.830 N/A LYS 155.A N GLY 31.A O no hydrogen 2.862 N/A LYS 155.A NZ TYR 152.A OH no hydrogen 3.281 N/A ALA 156.A N GLN 165.A OE1 no hydrogen 2.911 N/A ILE 157.A N ALA 29.A O no hydrogen 2.912 N/A SER 159.A N GLY 26.A O no hydrogen 2.972 N/A SER 159.A OG GLY 26.A O no hydrogen 3.338 N/A GLY 160.A N THR 28.A OG1 no hydrogen 3.229 N/A SER 161.A N GLY 158.A O no hydrogen 3.257 N/A SER 161.A OG GLY 158.A O no hydrogen 2.917 N/A GLY 163.A N GLU 162.A OE1 no hydrogen 3.288 N/A ALA 164.A N GLY 160.A O no hydrogen 2.851 N/A GLN 165.A N SER 161.A O no hydrogen 2.681 N/A GLN 165.A NE2 ALA 154.A O no hydrogen 3.446 N/A ALA 166.A N GLU 162.A O no hydrogen 3.272 N/A GLU 167.A N GLY 163.A O no hydrogen 3.330 N/A LEU 168.A N ALA 164.A O no hydrogen 2.802 N/A LEU 169.A N GLN 165.A O no hydrogen 2.774 N/A GLU 171.A N GLU 167.A O no hydrogen 3.156 N/A TRP 172.A N LEU 168.A O no hydrogen 3.112 N/A TRP 172.A NE1 ALA 33.A O no hydrogen 3.089 N/A LEU 176.A N HIS 173.A O no hydrogen 3.379 N/A THR 177.A N GLU 180.A OE1 no hydrogen 3.379 N/A LEU 178.A N GLU 36.A OE1 no hydrogen 3.078 N/A LYS 179.A NZ GLU 227.A OE1 no hydrogen 3.534 N/A GLU 180.A N THR 177.A OG1 no hydrogen 3.124 N/A ALA 181.A N THR 177.A O no hydrogen 3.036 N/A GLU 182.A N LEU 178.A O no hydrogen 2.917 N/A LEU 183.A N LYS 179.A O no hydrogen 3.257 N/A LEU 184.A N GLU 180.A O no hydrogen 2.986 N/A VAL 185.A N ALA 181.A O no hydrogen 2.988 N/A LEU 186.A N GLU 182.A O no hydrogen 3.170 N/A LYS 187.A N LEU 183.A O no hydrogen 2.769 N/A LYS 187.A NZ GLU 171.A OE1 no hydrogen 3.455 N/A LYS 187.A NZ GLN 191.A OE1 no hydrogen 3.184 N/A ILE 188.A N LEU 184.A O no hydrogen 3.087 N/A LEU 189.A N VAL 185.A O no hydrogen 2.899 N/A LYS 190.A N LEU 186.A O no hydrogen 3.058 N/A LYS 190.A NZ GLU 232.A OE2 no hydrogen 2.754 N/A GLN 191.A N LYS 187.A O no hydrogen 3.145 N/A GLN 191.A NE2 GLU 167.A OE2 no hydrogen 3.116 N/A VAL 192.A N ILE 188.A O no hydrogen 3.193 N/A MET 193.A N LEU 189.A O no hydrogen 2.880 N/A ASP 198.A N ASN 201.A OD1 no hydrogen 2.923 N/A GLU 199.A N GLU 199.A OE2 no hydrogen 2.884 N/A ASN 200.A N ASP 198.A OD1 no hydrogen 3.090 N/A ASN 201.A N ASP 198.A OD1 no hydrogen 3.014 N/A ASN 201.A ND2 LYS 196.A O no hydrogen 2.771 N/A GLN 203.A N VAL 42.A O no hydrogen 3.138 N/A SER 205.A OG LEU 40.A O no hydrogen 3.066 N/A CYS 206.A N LYS 214.A O no hydrogen 3.001 N/A CYS 206.A SG TYR 216.A OH no hydrogen 3.491 N/A ILE 207.A N VAL 38.A O no hydrogen 2.939 N/A THR 208.A N GLY 212.A O no hydrogen 3.302 N/A LYS 209.A N TYR 138.A OH no hydrogen 2.804 N/A ASP 211.A N THR 208.A OG1 no hydrogen 3.303 N/A GLY 212.A N THR 208.A O no hydrogen 2.946 N/A PHE 213.A N ARG 64.A O no hydrogen 2.834 N/A LYS 214.A N CYS 206.A O no hydrogen 2.907 N/A TYR 216.A N LEU 204.A O no hydrogen 3.008 N/A TYR 216.A OH GLU 182.A OE1 no hydrogen 2.650 N/A THR 221.A N ASP 217.A O no hydrogen 3.099 N/A THR 221.A OG1 ASP 217.A O no hydrogen 3.073 N/A ALA 222.A N ASN 218.A O no hydrogen 3.077 N/A GLU 223.A N GLU 219.A O no hydrogen 3.354 N/A LEU 224.A N LYS 220.A O no hydrogen 3.391 N/A ILE 225.A N THR 221.A O no hydrogen 2.896 N/A LYS 226.A N ALA 222.A O no hydrogen 3.071 N/A GLU 227.A N GLU 223.A O no hydrogen 2.916 N/A LEU 228.A N LEU 224.A O no hydrogen 2.987 N/A LYS 229.A N ILE 225.A O no hydrogen 3.047 N/A GLU 230.A N LYS 226.A O no hydrogen 3.303 N/A LYS 231.A N GLU 227.A O no hydrogen 3.280 N/A LYS 231.A NZ GLU 227.A OE2 no hydrogen 3.439 N/A GLU 232.A N LEU 228.A O no hydrogen 3.045 N/A ALA 233.A N LYS 229.A O no hydrogen 3.081 N/A