Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ku6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A ND1 TRP 5.A O no hydrogen 2.784 N/A CYS 6.A N LEU 19H.A O no hydrogen 2.865 N/A CYS 6.A SG TYR 7.A O no hydrogen 3.490 N/A TYR 7.A N GLN 10.A OE1 no hydrogen 2.880 N/A GLN 10.A N TYR 7.A O no hydrogen 2.958 N/A ALA 11.A N TYR 7.A O no hydrogen 3.459 N/A LYS 23.A N VAL 20.A O no hydrogen 2.757 N/A TRP 24.A N PRO 21.A O no hydrogen 3.145 N/A TRP 24.A NE1 CYS 6.A O no hydrogen 3.007 N/A ASN 27.A N THR 203.A O no hydrogen 2.961 N/A ASN 27.A ND2 THR 203.A O no hydrogen 3.538 N/A ASN 27.A ND2 ASP 205.A OD1 no hydrogen 2.758 N/A CYS 28.A N GLY 25.A O no hydrogen 3.032 N/A CYS 28.A SG GLY 25.A O no hydrogen 3.156 N/A GLN 29.A NE2 VAL 22.A O no hydrogen 3.343 N/A GLN 29.A NE2 TRP 24.A O no hydrogen 2.988 N/A LYS 30.A N ASN 27.A O no hydrogen 3.117 N/A LYS 30.A NZ ASN 27.A OD1 no hydrogen 2.498 N/A ARG 32.A N GLU 206.A OE2 no hydrogen 2.917 N/A GLN 33.A NE2 CYS 204.A O no hydrogen 3.348 N/A GLN 33.A NE2 GLU 206.A OE2 no hydrogen 2.922 N/A SER 34.A N SER 198.A OG no hydrogen 3.030 N/A SER 34.A OG TYR 195.A OH no hydrogen 2.950 N/A SER 34.A OG SER 198.A O no hydrogen 3.461 N/A ILE 38.A N SER 111.A O no hydrogen 2.840 N/A THR 40.A N ASP 113.A OD1 no hydrogen 2.789 N/A THR 40.A OG1 ASP 113.A OD1 no hydrogen 3.245 N/A THR 40.A OG1 ASP 113.A OD2 no hydrogen 2.681 N/A LYS 42.A N VAL 39.A O no hydrogen 3.062 N/A ASP 46.A N LYS 258.A O no hydrogen 2.842 N/A LYS 48.A N ASP 46.A OD1 no hydrogen 3.011 N/A LEU 49.A N ASP 46.A O no hydrogen 3.116 N/A ARG 51.A NE PHE 52.A O no hydrogen 3.056 N/A ARG 51.A NH2 PHE 52.A O no hydrogen 3.374 N/A PHE 53.A N SER 83.A O no hydrogen 2.675 N/A SER 55.A N SER 81.A O no hydrogen 2.710 N/A TYR 57.A OH HIS 125.A NE2 no hydrogen 2.867 N/A LYS 60.A NZ ASP 181.A OD2 no hydrogen 3.092 N/A GLN 61.A N SER 177.A O no hydrogen 2.794 N/A VAL 65.A N THR 172.A O no hydrogen 2.944 N/A GLN 66.A N MET 73.A O no hydrogen 2.853 N/A ASN 67.A N MET 170.A O no hydrogen 3.009 N/A ASN 67.A ND2 ILE 165.A O no hydrogen 3.099 N/A ASN 67.A ND2 TYR 232.A O no hydrogen 3.270 N/A ASN 68.A N SER 71.A O no hydrogen 3.181 N/A GLY 69.A N ASN 67.A OD1 no hydrogen 2.825 N/A HIS 70.A N ASN 68.A OD1 no hydrogen 2.979 N/A SER 71.A N ASN 68.A OD1 no hydrogen 2.911 N/A SER 71.A OG VAL 72.A O no hydrogen 3.289 N/A SER 71.A OG LEU 98.A O no hydrogen 2.630 N/A MET 73.A N GLN 66.A O no hydrogen 2.805 N/A MET 74.A N LEU 96.A O no hydrogen 2.693 N/A LEU 75.A N THR 64.A O no hydrogen 2.964 N/A LEU 76.A N LYS 94.A O no hydrogen 2.909 N/A ASN 78.A N ALA 93.A O no hydrogen 2.869 N/A LYS 79.A N LEU 76.A O no hydrogen 2.660 N/A SER 81.A N SER 55.A O no hydrogen 2.898 N/A ILE 82.A N TYR 91.A O no hydrogen 2.955 N/A SER 83.A N PHE 53.A O no hydrogen 2.955 N/A GLY 85.A N ARG 51.A O no hydrogen 3.017 N/A LEU 87.A N GLY 84.A O no hydrogen 3.022 N/A TYR 91.A N ILE 82.A O no hydrogen 2.929 N/A TYR 91.A OH ASP 136.A O no hydrogen 2.679 N/A GLN 92.A N GLU 126.A O no hydrogen 2.883 N/A ALA 93.A N ALA 80.A O no hydrogen 2.864 N/A LYS 94.A N VAL 124.A O no hydrogen 2.863 N/A LYS 94.A NZ ASN 78.A OD1 no hydrogen 2.717 N/A GLN 95.A N VAL 124.A O no hydrogen 3.492 N/A LEU 96.A N MET 74.A O no hydrogen 2.994 N/A HIS 97.A N HIS 122.A O no hydrogen 3.013 N/A HIS 97.A ND1 GLN 95.A OE1 no hydrogen 2.689 N/A LEU 98.A N SER 71.A OG no hydrogen 3.150 N/A HIS 99.A N GLU 120.A O no hydrogen 2.926 N/A HIS 99.A ND1 ASN 244.A O no hydrogen 2.686 N/A TRP 100.A N ASN 244.A OD1 no hydrogen 2.911 N/A TRP 100.A NE1 MET 241.A O no hydrogen 2.753 N/A SER 101.A OG ASP 243.A OD1 no hydrogen 2.673 N/A ASP 102.A N SER 101.A OG no hydrogen 2.701 N/A LYS 106.A N LEU 103.A O no hydrogen 3.287 N/A SER 108.A N PHE 117.A O no hydrogen 2.921 N/A SER 108.A OG HIS 110.A O no hydrogen 2.684 N/A HIS 110.A N GLU 120.A OE1 no hydrogen 2.727 N/A HIS 110.A ND1 GLU 120.A OE2 no hydrogen 2.781 N/A HIS 110.A NE2 TYR 195.A OH no hydrogen 2.543 N/A SER 111.A N ILE 36.A O no hydrogen 3.332 N/A SER 111.A OG ASN 37.A OD1 no hydrogen 2.777 N/A LEU 112.A N GLU 115.A O no hydrogen 3.078 N/A ASP 113.A N ILE 38.A O no hydrogen 2.832 N/A GLY 114.A N ASN 37.A OD1 no hydrogen 2.847 N/A GLU 115.A N LEU 112.A O no hydrogen 2.931 N/A PHE 117.A N SER 108.A OG no hydrogen 2.792 N/A ALA 118.A N VAL 145.A O no hydrogen 2.821 N/A MET 119.A N VAL 145.A O no hydrogen 3.410 N/A GLU 120.A N HIS 99.A O no hydrogen 2.870 N/A MET 121.A N PHE 143.A O no hydrogen 2.867 N/A HIS 122.A N HIS 97.A O no hydrogen 2.927 N/A HIS 122.A NE2 GLU 120.A OE2 no hydrogen 2.603 N/A ILE 123.A N LEU 141.A O no hydrogen 2.898 N/A VAL 124.A N GLN 95.A O no hydrogen 2.852 N/A HIS 125.A N ALA 139.A O no hydrogen 2.794 N/A HIS 125.A ND1 ILE 123.A O no hydrogen 3.083 N/A HIS 125.A NE2 TYR 57.A OH no hydrogen 2.867 N/A GLU 126.A N GLN 92.A O no hydrogen 2.878 N/A LYS 127.A N GLU 137.A O no hydrogen 2.797 N/A LYS 127.A NZ ASP 136.A OD1 no hydrogen 2.862 N/A LYS 127.A NZ ASP 136.A OD2 no hydrogen 3.519 N/A GLU 128.A N PRO 90.A O no hydrogen 3.022 N/A LYS 129.A NZ GLU 137.A OE1 no hydrogen 3.472 N/A LYS 129.A NZ GLU 137.A OE2 no hydrogen 2.639 N/A GLU 137.A N PRO 134.A O no hydrogen 3.214 N/A ILE 138.A N LYS 207.A O no hydrogen 2.869 N/A ALA 139.A N HIS 125.A O no hydrogen 2.903 N/A VAL 140.A N VAL 209.A O no hydrogen 3.238 N/A LEU 141.A N ILE 123.A O no hydrogen 2.908 N/A ALA 142.A N THR 211.A O no hydrogen 2.741 N/A PHE 143.A N MET 121.A O no hydrogen 2.873 N/A VAL 145.A N MET 119.A O no hydrogen 2.944 N/A GLU 146.A N ILE 217.A O no hydrogen 2.716 N/A GLY 148.A N LEU 219.A O no hydrogen 2.953 N/A ASN 152.A N GLN 223.A OE1 no hydrogen 2.862 N/A ASN 152.A ND2 GLN 218.A O no hydrogen 2.914 N/A PHE 155.A N ASN 152.A O no hydrogen 3.253 N/A PHE 155.A N ASN 152.A OD1 no hydrogen 3.202 N/A GLN 156.A N GLU 153.A O no hydrogen 3.143 N/A VAL 159.A N PHE 155.A O no hydrogen 2.868 N/A GLU 160.A N GLN 156.A O no hydrogen 2.785 N/A ALA 161.A N PRO 157.A O no hydrogen 3.257 N/A LEU 162.A N VAL 159.A O no hydrogen 3.320 N/A ASN 164.A N ALA 161.A O no hydrogen 2.911 N/A ILE 165.A N LEU 162.A O no hydrogen 3.206 N/A GLU 169.A N ASN 67.A O no hydrogen 2.658 N/A MET 170.A N LYS 167.A O no hydrogen 3.302 N/A THR 172.A N VAL 65.A O no hydrogen 2.890 N/A MET 174.A N TRP 63.A O no hydrogen 2.866 N/A SER 177.A N GLN 61.A O no hydrogen 2.973 N/A SER 178.A N ASP 181.A OD2 no hydrogen 2.908 N/A LEU 180.A N TYR 57.A O no hydrogen 2.906 N/A ASP 181.A N SER 178.A OG no hydrogen 3.257 N/A LEU 182.A N LEU 179.A O no hydrogen 2.927 N/A LEU 183.A N LEU 180.A O no hydrogen 3.087 N/A LYS 188.A N LYS 185.A O no hydrogen 2.818 N/A LEU 189.A N GLU 186A.A O no hydrogen 2.981 N/A TYR 192.A N SER 259.A OG no hydrogen 3.102 N/A TYR 192.A OH GLY 50.A O no hydrogen 2.649 N/A PHE 193.A N VAL 212.A O no hydrogen 2.829 N/A ARG 194.A N ILE 257.A O no hydrogen 2.766 N/A ARG 194.A NE TRP 210.A O no hydrogen 3.053 N/A ARG 194.A NE THR 211.A OG1 no hydrogen 3.366 N/A ARG 194.A NH1 GLY 85.A O no hydrogen 2.853 N/A ARG 194.A NH2 GLY 85.A O no hydrogen 2.773 N/A ARG 194.A NH2 THR 211.A OG1 no hydrogen 2.787 N/A TYR 195.A N TRP 210.A O no hydrogen 3.357 N/A TYR 195.A OH SER 34.A OG no hydrogen 2.950 N/A TYR 195.A OH HIS 110.A NE2 no hydrogen 2.543 N/A GLY 197.A N VAL 208.A O no hydrogen 2.840 N/A SER 198.A N SER 34.A OG no hydrogen 3.055 N/A SER 198.A OG LEU 199.A O no hydrogen 2.819 N/A LEU 199.A N ASP 205.A O no hydrogen 3.041 N/A THR 200.A OG1 GLU 109.A OE1 no hydrogen 2.533 N/A THR 200.A OG1 GLU 109.A OE2 no hydrogen 3.470 N/A THR 203.A OG1 ASP 205.A OD1 no hydrogen 2.878 N/A CYS 204.A N THR 201.A O no hydrogen 2.842 N/A LYS 207.A NZ ASP 205.A OD2 no hydrogen 3.331 N/A VAL 208.A N GLY 197.A O no hydrogen 3.271 N/A VAL 209.A N ILE 138.A O no hydrogen 2.781 N/A TRP 210.A N TYR 195.A O no hydrogen 2.838 N/A TRP 210.A NE1 SER 198.A O no hydrogen 2.952 N/A THR 211.A N VAL 140.A O no hydrogen 3.103 N/A VAL 212.A N PHE 193.A O no hydrogen 2.927 N/A PHE 213.A N ALA 142.A O no hydrogen 3.074 N/A ARG 214.A N HIS 191.A O no hydrogen 3.041 N/A ILE 217.A N LEU 144.A O no hydrogen 2.774 N/A GLN 218.A NE2 GLU 146.A OE1 no hydrogen 3.240 N/A LEU 219.A N GLU 146.A O no hydrogen 2.996 N/A HIS 220.A N GLN 223.A OE1 no hydrogen 3.240 N/A ARG 221.A N GLY 148.A O no hydrogen 2.950 N/A GLU 222.A N HIS 220.A ND1 no hydrogen 2.939 N/A GLN 223.A NE2 ASN 152.A O no hydrogen 2.873 N/A GLN 223.A NE2 GLN 156.A OE1 no hydrogen 2.731 N/A ILE 224.A N HIS 220.A O no hydrogen 3.092 N/A LEU 225.A N ARG 221.A O no hydrogen 2.866 N/A ALA 226.A N GLU 222.A O no hydrogen 3.115 N/A PHE 227.A N ILE 224.A O no hydrogen 3.189 N/A SER 228.A OG LEU 225.A O no hydrogen 3.324 N/A LYS 230.A N ALA 226.A O no hydrogen 2.880 N/A LEU 231.A N PHE 227.A O no hydrogen 3.233 N/A TYR 232.A N PRO 166.A O no hydrogen 2.872 N/A TYR 233.A N VAL 239.A O no hydrogen 3.060 N/A TYR 233.A OH LYS 242.A O no hydrogen 2.669 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.787 N/A GLN 237.A N ASP 234.A O no hydrogen 3.005 N/A THR 238.A N ASP 234.A OD1 no hydrogen 3.135 N/A THR 238.A N ASP 234.A OD2 no hydrogen 3.215 N/A THR 238.A OG1 ASP 234.A OD2 no hydrogen 2.508 N/A VAL 239.A N ASP 234.A OD1 no hydrogen 3.358 N/A MET 241.A N LEU 231.A O no hydrogen 2.851 N/A LYS 242.A NZ ASP 102.A OD2 no hydrogen 2.930 N/A ASP 243.A N TRP 100.A O no hydrogen 2.775 N/A ASN 244.A ND2 HIS 70.A O no hydrogen 2.864 N/A ASN 244.A ND2 LEU 98.A O no hydrogen 3.416 N/A ARG 246.A N GLU 109.A OE2 no hydrogen 2.891 N/A ARG 246.A NH1 GLN 33.A OE1 no hydrogen 2.786 N/A ARG 246.A NH1 SER 34.A O no hydrogen 2.770 N/A ARG 246.A NH2 GLN 33.A OE1 no hydrogen 2.868 N/A GLN 249.A N PRO 35.A O no hydrogen 2.857 N/A GLN 249.A NE2 PRO 247.A O no hydrogen 3.012 N/A ARG 254.A N LEU 251.A O no hydrogen 3.458 N/A ARG 254.A NE LEU 251.A O no hydrogen 2.943 N/A ARG 254.A NH1 GLN 33.A O no hydrogen 3.067 N/A ARG 254.A NH1 LEU 196.A O no hydrogen 2.840 N/A ARG 254.A NH2 GLN 33.A O no hydrogen 2.785 N/A ARG 254.A NH2 GLN 250.A O no hydrogen 2.936 N/A ARG 254.A NH2 LEU 251.A O no hydrogen 3.568 N/A ILE 257.A N ARG 194.A O no hydrogen 2.962 N/A LYS 258.A N LYS 44.A O no hydrogen 2.929 N/A LYS 258.A NZ THR 40.A O no hydrogen 3.001 N/A LYS 258.A NZ ALA 43.A O no hydrogen 3.496 N/A SER 259.A N TYR 192.A O no hydrogen 3.012 N/A SER 259.A OG ARG 190A.A O no hydrogen 2.546 N/A GLU 12A.A N GLU 8.A O no hydrogen 2.951 N/A GLN 229A.A N LEU 225.A O no hydrogen 2.840 N/A SER 13B.A N VAL 9.A O no hydrogen 2.931 N/A SER 13B.A OG VAL 9.A O no hydrogen 2.644 N/A TYR 16E.A N SER 14C.A OG no hydrogen 3.196 N/A LEU 19H.A N HIS 4.A O no hydrogen 2.819 N/A