Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6guk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 3.A OD1 no hydrogen 2.794 N/A PHE 4.A N MET 1.A O no hydrogen 3.206 N/A GLN 5.A N ARG 22.A O no hydrogen 2.961 N/A GLN 5.A NE2 ARG 22.A O no hydrogen 3.600 N/A GLU 8.A N LYS 20.A O no hydrogen 2.868 N/A ILE 10.A N VAL 18.A O no hydrogen 2.869 N/A GLY 11.A N VAL 18.A O no hydrogen 3.301 N/A GLY 13.A N GLY 16.A O no hydrogen 2.799 N/A THR 14.A OG1 ASP 135.A OD2 no hydrogen 3.453 N/A VAL 18.A N GLY 11.A O no hydrogen 2.827 N/A TYR 19.A N LEU 32.A O no hydrogen 2.775 N/A LYS 20.A N GLU 8.A O no hydrogen 2.717 N/A ALA 21.A N VAL 30.A O no hydrogen 2.922 N/A ARG 22.A N GLN 5.A O no hydrogen 3.222 N/A ASN 23.A N GLU 28.A O no hydrogen 2.730 N/A LYS 24.A NZ LYS 24.A O no hydrogen 3.174 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.344 N/A GLY 27.A N ASN 23.A O no hydrogen 3.062 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.177 N/A VAL 30.A N ALA 21.A O no hydrogen 2.851 N/A ALA 31.A N PHE 70.A O no hydrogen 2.888 N/A LEU 32.A N TYR 19.A O no hydrogen 2.792 N/A LYS 33.A N LEU 68.A O no hydrogen 2.779 N/A LYS 34.A N VAL 17.A O no hydrogen 2.952 N/A ILE 35.A N LEU 66.A O no hydrogen 2.886 N/A ARG 36.A N TYR 15.A O no hydrogen 2.895 N/A THR 37.A OG1 GLU 41.A OE1 no hydrogen 2.979 N/A GLU 41.A N THR 37.A O no hydrogen 3.470 N/A ILE 42.A N ALA 38.A O no hydrogen 2.870 N/A SER 43.A N ILE 39.A O no hydrogen 2.846 N/A SER 43.A OG ILE 39.A O no hydrogen 2.657 N/A LEU 44.A N ARG 40.A O no hydrogen 2.987 N/A LEU 45.A N ILE 42.A O no hydrogen 2.951 N/A LYS 46.A N SER 43.A O no hydrogen 3.156 N/A GLU 47.A N LEU 44.A O no hydrogen 3.007 N/A LEU 48.A N LEU 45.A O no hydrogen 3.143 N/A ASN 52.A N HIS 50.A ND1 no hydrogen 2.930 N/A ASN 52.A ND2 GLN 100.A OE1 no hydrogen 2.984 N/A ASN 52.A ND2 ILE 131.A O no hydrogen 2.886 N/A ILE 53.A N HIS 50.A O no hydrogen 3.072 N/A VAL 54.A N LEU 133.A O no hydrogen 2.980 N/A LYS 55.A N GLU 71.A OE2 no hydrogen 2.798 N/A LYS 55.A NZ LYS 46.A O no hydrogen 2.979 N/A LYS 55.A NZ LEU 48.A O no hydrogen 3.210 N/A LEU 57.A N VAL 69.A O no hydrogen 2.745 N/A ASP 58.A N VAL 69.A O no hydrogen 3.237 N/A ILE 60.A N TYR 67.A O no hydrogen 2.868 N/A THR 62.A N LYS 65.A O no hydrogen 2.886 N/A LYS 65.A N THR 62.A O no hydrogen 2.786 N/A TYR 67.A N ILE 60.A O no hydrogen 2.743 N/A LEU 68.A N LYS 33.A O no hydrogen 2.758 N/A VAL 69.A N ASP 58.A O no hydrogen 2.859 N/A PHE 70.A N ALA 31.A O no hydrogen 2.760 N/A GLU 71.A N LYS 55.A O no hydrogen 2.985 N/A LEU 77.A N LEU 123.A O no hydrogen 2.771 N/A LYS 78.A NZ ASP 82.A OD2 no hydrogen 3.448 N/A LYS 79.A N ASP 76.A OD1 no hydrogen 2.756 N/A PHE 80.A N ASP 76.A O no hydrogen 3.106 N/A MET 81.A N LEU 77.A O no hydrogen 2.804 N/A ASP 82.A N LYS 78.A O no hydrogen 2.921 N/A ALA 83.A N LYS 79.A O no hydrogen 2.939 N/A SER 84.A N PHE 80.A O no hydrogen 2.940 N/A SER 84.A N MET 81.A O no hydrogen 3.111 N/A SER 84.A OG PHE 80.A O no hydrogen 2.873 N/A ALA 85.A N ASP 82.A O no hydrogen 3.301 N/A THR 87.A OG1 SER 84.A O no hydrogen 3.538 N/A GLY 88.A N SER 84.A O no hydrogen 2.689 N/A LEU 93.A N PRO 90.A O no hydrogen 2.910 N/A ILE 94.A N PRO 90.A O no hydrogen 2.995 N/A LYS 95.A N LEU 91.A O no hydrogen 2.873 N/A LYS 95.A NZ PHE 265.A O no hydrogen 2.958 N/A LYS 95.A NZ ASP 268.A OD1 no hydrogen 2.605 N/A SER 96.A N PRO 92.A O no hydrogen 3.054 N/A SER 96.A OG THR 270.A O no hydrogen 3.364 N/A TYR 97.A N LEU 93.A O no hydrogen 2.879 N/A LEU 98.A N ILE 94.A O no hydrogen 2.830 N/A PHE 99.A N LYS 95.A O no hydrogen 2.911 N/A GLN 100.A N SER 96.A O no hydrogen 2.908 N/A GLN 100.A NE2 SER 96.A O no hydrogen 3.502 N/A GLN 100.A NE2 SER 96.A OG no hydrogen 3.079 N/A GLN 100.A NE2 GLY 129.A O no hydrogen 2.973 N/A LEU 101.A N TYR 97.A O no hydrogen 2.978 N/A LEU 102.A N LEU 98.A O no hydrogen 2.894 N/A GLN 103.A N PHE 99.A O no hydrogen 2.952 N/A GLY 104.A N GLN 100.A O no hydrogen 2.968 N/A LEU 105.A N LEU 101.A O no hydrogen 2.847 N/A ALA 106.A N LEU 102.A O no hydrogen 2.768 N/A PHE 107.A N GLN 103.A O no hydrogen 3.009 N/A CYS 108.A N GLY 104.A O no hydrogen 3.059 N/A CYS 108.A SG GLY 104.A O no hydrogen 3.583 N/A HIS 109.A N LEU 105.A O no hydrogen 2.807 N/A HIS 109.A NE2 ASP 165.A OD2 no hydrogen 2.857 N/A SER 110.A N ALA 106.A O no hydrogen 3.004 N/A SER 110.A OG ALA 106.A O no hydrogen 3.511 N/A SER 110.A OG PHE 107.A O no hydrogen 2.681 N/A HIS 111.A N PHE 107.A O no hydrogen 3.256 N/A HIS 111.A N CYS 108.A O no hydrogen 2.995 N/A ARG 112.A N HIS 109.A O no hydrogen 3.018 N/A VAL 113.A N CYS 108.A O no hydrogen 3.002 N/A HIS 115.A N ASP 165.A OD2 no hydrogen 2.894 N/A HIS 115.A NE2 ALA 134.A O no hydrogen 2.776 N/A ARG 116.A N ASP 165.A OD1 no hydrogen 2.851 N/A ASP 117.A N HIS 115.A ND1 no hydrogen 3.011 N/A LYS 119.A N ASN 122.A OD1 no hydrogen 3.100 N/A LYS 119.A NZ ASP 117.A OD2 no hydrogen 3.215 N/A GLN 121.A N GLN 121.A OE1 no hydrogen 2.810 N/A ASN 122.A N LYS 119.A O no hydrogen 2.960 N/A ASN 122.A ND2 ASP 117.A O no hydrogen 2.926 N/A LEU 123.A N PRO 120.A O no hydrogen 3.214 N/A LEU 124.A N LYS 132.A O no hydrogen 2.871 N/A ILE 125.A N GLN 75.A O no hydrogen 2.903 N/A ASN 126.A N ALA 130.A O no hydrogen 3.293 N/A GLU 128.A N ASN 126.A OD1 no hydrogen 2.991 N/A GLY 129.A N ASN 126.A O no hydrogen 3.419 N/A ALA 130.A N ASN 126.A OD1 no hydrogen 3.073 N/A ILE 131.A N GLN 100.A OE1 no hydrogen 3.120 N/A LYS 132.A N LEU 124.A O no hydrogen 2.742 N/A LYS 132.A NZ GLU 71.A OE1 no hydrogen 2.938 N/A LYS 132.A NZ GLU 71.A OE2 no hydrogen 3.328 N/A LEU 133.A N ASN 52.A O no hydrogen 2.877 N/A ALA 134.A N ASN 122.A O no hydrogen 2.909 N/A GLY 137.A N LEU 114.A O no hydrogen 2.958 N/A LEU 138.A N ASP 135.A O no hydrogen 3.288 N/A ALA 141.A N GLY 137.A O no hydrogen 3.163 N/A PHE 142.A N LEU 138.A O no hydrogen 2.828 N/A GLY 143.A N ARG 140.A O no hydrogen 3.259 N/A TRP 147.A N THR 145.A OG1 no hydrogen 3.407 N/A TRP 147.A NE1 GLY 185.A O no hydrogen 2.995 N/A TYR 148.A OH GLU 175.A OE1 no hydrogen 2.593 N/A ARG 149.A N LEU 146.A O no hydrogen 3.025 N/A ARG 149.A NH2 ASP 117.A OD1 no hydrogen 3.222 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.704 N/A ILE 153.A N ALA 150.A O no hydrogen 3.080 N/A LEU 154.A N ALA 150.A O no hydrogen 3.256 N/A LEU 155.A N PRO 151.A O no hydrogen 2.856 N/A GLY 156.A N ILE 153.A O no hydrogen 2.930 N/A CYS 157.A N GLU 152.A O no hydrogen 3.048 N/A CYS 157.A SG.A GLU 152.A O no hydrogen 3.354 N/A CYS 157.A SG.B TYR 159.A O no hydrogen 3.371 N/A ALA 163.A N SER 161.A OG no hydrogen 3.077 N/A VAL 164.A N SER 161.A O no hydrogen 2.971 N/A ASP 165.A N THR 162.A O no hydrogen 3.034 N/A TRP 167.A N ALA 163.A O no hydrogen 3.099 N/A SER 168.A N VAL 164.A O no hydrogen 3.161 N/A SER 168.A OG TYR 148.A O no hydrogen 2.742 N/A SER 168.A OG VAL 164.A O no hydrogen 3.118 N/A LEU 169.A N ASP 165.A O no hydrogen 2.960 N/A GLY 170.A N ILE 166.A O no hydrogen 2.837 N/A CYS 171.A N TRP 167.A O no hydrogen 2.985 N/A CYS 171.A SG TRP 167.A O no hydrogen 3.521 N/A ILE 172.A N SER 168.A O no hydrogen 2.998 N/A PHE 173.A N LEU 169.A O no hydrogen 2.841 N/A ALA 174.A N GLY 170.A O no hydrogen 2.965 N/A GLU 175.A N CYS 171.A O no hydrogen 3.103 N/A MET 176.A N ILE 172.A O no hydrogen 2.874 N/A VAL 177.A N PHE 173.A O no hydrogen 3.144 N/A THR 178.A N ALA 174.A O no hydrogen 2.909 N/A THR 178.A OG1 ALA 174.A O no hydrogen 3.086 N/A ARG 179.A N GLU 175.A O no hydrogen 2.798 N/A ARG 179.A NE ALA 85.A O no hydrogen 3.060 N/A ARG 179.A NH2 LEU 86.A O no hydrogen 3.121 N/A ARG 180.A N THR 178.A OG1 no hydrogen 3.325 N/A GLY 185.A N PHE 183.A O no hydrogen 2.934 N/A GLY 185.A N GLN 191.A OE1 no hydrogen 2.890 N/A ASP 186.A N ASP 190.A OD2 no hydrogen 2.920 N/A SER 187.A OG ASP 186.A OD1 no hydrogen 3.563 N/A ASP 190.A N SER 187.A OG no hydrogen 3.016 N/A GLN 191.A N SER 187.A O no hydrogen 2.805 N/A GLN 191.A NE2 PHE 183.A O no hydrogen 2.895 N/A LEU 192.A N GLU 188.A O no hydrogen 3.042 N/A PHE 193.A N ILE 189.A O no hydrogen 2.816 N/A ARG 194.A N ASP 190.A O no hydrogen 2.808 N/A ARG 194.A NE ASP 190.A OD2 no hydrogen 2.919 N/A ILE 195.A N GLN 191.A O no hydrogen 3.112 N/A PHE 196.A N LEU 192.A O no hydrogen 2.883 N/A ARG 197.A N PHE 193.A O no hydrogen 2.830 N/A ARG 197.A NH2 ASP 190.A OD1 no hydrogen 3.237 N/A THR 198.A N ARG 194.A O no hydrogen 3.280 N/A THR 198.A N ILE 195.A O no hydrogen 3.159 N/A THR 198.A OG1 ARG 194.A O no hydrogen 3.327 N/A LEU 199.A N ILE 195.A O no hydrogen 2.853 N/A THR 201.A N TRP 223.A O no hydrogen 2.974 N/A THR 201.A OG1 PRO 221.A O no hydrogen 2.285 N/A VAL 206.A N ASP 203.A OD1 no hydrogen 3.059 N/A TRP 207.A N ASP 203.A O no hydrogen 2.813 N/A GLY 209.A N GLU 204.A OE1 no hydrogen 2.829 N/A VAL 210.A N TRP 207.A O no hydrogen 2.973 N/A THR 211.A N GLU 204.A OE2 no hydrogen 3.121 N/A THR 211.A OG1 GLU 204.A OE2 no hydrogen 2.710 N/A SER 212.A N GLY 209.A O no hydrogen 3.001 N/A MET 213.A N VAL 210.A O no hydrogen 3.059 N/A ASP 215.A N LEU 155.A O no hydrogen 2.930 N/A TYR 216.A N MET 213.A O no hydrogen 3.285 N/A PHE 220.A N LYS 217.A O no hydrogen 2.835 N/A TRP 223.A N THR 201.A OG1 no hydrogen 2.879 N/A ARG 225.A NH1 LEU 199.A O no hydrogen 3.041 N/A GLN 226.A N THR 198.A O no hydrogen 2.850 N/A GLN 226.A NE2 ARG 197.A O no hydrogen 2.905 N/A SER 229.A N ASP 227.A OD1 no hydrogen 2.821 N/A SER 229.A OG ASP 227.A OD1 no hydrogen 2.740 N/A LYS 230.A N ASP 227.A O no hydrogen 2.851 N/A LYS 230.A NZ GLN 226.A OE1 no hydrogen 2.564 N/A VAL 231.A N PHE 228.A O no hydrogen 2.602 N/A VAL 232.A N PHE 228.A O no hydrogen 2.984 N/A LEU 235.A N VAL 232.A O no hydrogen 2.906 N/A GLY 239.A N ASP 236.A OD1 no hydrogen 2.948 N/A ARG 240.A N ASP 236.A O no hydrogen 2.885 N/A ARG 240.A NH1 LEU 235.A O no hydrogen 2.962 N/A SER 241.A N GLU 237.A O no hydrogen 2.935 N/A SER 241.A OG HIS 263.A NE2 no hydrogen 3.111 N/A LEU 242.A N ASP 238.A O no hydrogen 3.007 N/A LEU 243.A N GLY 239.A O no hydrogen 2.903 N/A SER 244.A N ARG 240.A O no hydrogen 2.881 N/A SER 244.A OG SER 241.A O no hydrogen 2.677 N/A GLN 245.A N SER 241.A O no hydrogen 3.180 N/A MET 246.A N LEU 242.A O no hydrogen 3.012 N/A LEU 247.A N LEU 243.A O no hydrogen 2.990 N/A TYR 249.A OH GLY 200.A O no hydrogen 2.580 N/A ASN 252.A N ASP 250.A OD1 no hydrogen 2.896 N/A LYS 253.A N ASP 250.A O no hydrogen 3.041 N/A ARG 254.A N ASP 250.A O no hydrogen 2.962 N/A ARG 254.A NE HIS 248.A O no hydrogen 2.872 N/A ARG 254.A NH1 GLU 152.A OE1 no hydrogen 3.386 N/A ARG 254.A NH1 GLU 152.A OE2 no hydrogen 2.847 N/A ARG 254.A NH1 ALA 163.A O no hydrogen 2.981 N/A ARG 254.A NH2 GLU 152.A OE1 no hydrogen 2.882 N/A ARG 254.A NH2 HIS 248.A O no hydrogen 3.262 N/A ARG 254.A NH2 TYR 249.A O no hydrogen 2.936 N/A ILE 255.A N GLN 245.A O no hydrogen 3.045 N/A ALA 259.A N SER 256.A OG no hydrogen 3.013 N/A ALA 260.A N SER 256.A O no hydrogen 2.896 N/A LEU 261.A N ALA 257.A O no hydrogen 3.082 N/A ALA 262.A N ALA 259.A O no hydrogen 3.045 N/A HIS 263.A N ALA 260.A O no hydrogen 2.965 N/A HIS 263.A NE2 SER 241.A OG no hydrogen 3.111 N/A PHE 265.A N HIS 263.A ND1 no hydrogen 2.947 N/A PHE 266.A N HIS 263.A O no hydrogen 2.951 N/A GLN 267.A N PRO 264.A O no hydrogen 2.972 N/A VAL 269.A N PHE 266.A O no hydrogen 3.104 N/A