Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qu5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ALA 2.A O no hydrogen 2.840 N/A TYR 7.A OH GLU 13.A OE1 no hydrogen 2.551 N/A TYR 7.A OH THR 91.A OG1 no hydrogen 3.410 N/A ALA 9.A N TYR 7.A O no hydrogen 2.872 N/A SER 10.A OG ASP 8.A OD1 no hydrogen 2.537 N/A LYS 11.A N ASP 8.A O no hydrogen 2.851 N/A GLU 13.A N ALA 9.A O no hydrogen 2.920 N/A PHE 14.A N ALA 89.A O no hydrogen 2.909 N/A ARG 16.A NE PRO 96.A O no hydrogen 3.303 N/A ARG 16.A NH1 LYS 92.A O no hydrogen 2.744 N/A ARG 16.A NH1 PRO 96.A O no hydrogen 2.942 N/A ARG 16.A NH2 LYS 92.A O no hydrogen 3.200 N/A ARG 18.A N PRO 15.A O no hydrogen 2.857 N/A LYS 20.A N ASP 37.A O no hydrogen 3.034 N/A GLY 22.A N GLU 35.A O no hydrogen 2.684 N/A LEU 25.A N VAL 33.A O no hydrogen 2.582 N/A GLY 26.A N VAL 33.A O no hydrogen 3.194 N/A GLY 31.A N GLY 28.A O no hydrogen 3.024 N/A GLN 32.A N MET 54.A O no hydrogen 2.679 N/A VAL 33.A N GLY 26.A O no hydrogen 2.926 N/A ILE 34.A N VAL 52.A O no hydrogen 2.615 N/A GLU 35.A N LYS 23.A O no hydrogen 3.015 N/A ALA 36.A N VAL 50.A O no hydrogen 2.829 N/A ASP 37.A N LYS 20.A O no hydrogen 3.244 N/A ALA 38.A N ARG 48.A O no hydrogen 2.730 N/A PHE 39.A N ARG 18.A O no hydrogen 3.025 N/A GLY 40.A N THR 46.A O no hydrogen 2.672 N/A ALA 45.A N LYS 43.A O no hydrogen 2.746 N/A ARG 48.A N ALA 38.A O no hydrogen 2.988 N/A ARG 48.A NH1 ASP 42.A OD2 no hydrogen 3.031 N/A VAL 50.A N ALA 36.A O no hydrogen 2.930 N/A ALA 51.A N THR 101.A O no hydrogen 2.912 N/A VAL 52.A N ILE 34.A O no hydrogen 2.732 N/A LYS 53.A N VAL 99.A O no hydrogen 2.996 N/A LYS 53.A NZ GLU 70.A OE1 no hydrogen 2.752 N/A LYS 53.A NZ GLU 70.A OE2 no hydrogen 3.271 N/A LYS 53.A NZ ASP 181.A O no hydrogen 2.792 N/A LYS 53.A NZ GLY 183.A O no hydrogen 2.623 N/A MET 54.A N GLN 32.A O no hydrogen 2.662 N/A LYS 56.A N PHE 30.A O no hydrogen 3.218 N/A LYS 56.A NZ ALA 29.A O no hydrogen 3.256 N/A THR 60.A N GLU 63.A OE1 no hydrogen 3.316 N/A THR 60.A OG1 GLU 63.A OE1 no hydrogen 3.298 N/A GLU 63.A N THR 60.A OG1 no hydrogen 2.978 N/A HIS 64.A N THR 60.A O no hydrogen 3.335 N/A ARG 65.A N SER 62.A O no hydrogen 2.917 N/A ARG 65.A NH2 GLU 3.A OE2 no hydrogen 3.445 N/A ALA 66.A N SER 62.A O no hydrogen 3.211 N/A LEU 67.A N GLU 63.A O no hydrogen 2.843 N/A MET 68.A N HIS 64.A O no hydrogen 3.321 N/A SER 69.A N ARG 65.A O no hydrogen 2.711 N/A SER 69.A N ALA 66.A O no hydrogen 3.118 N/A SER 69.A OG ARG 65.A O no hydrogen 2.906 N/A GLU 70.A N ALA 66.A O no hydrogen 3.066 N/A LEU 71.A N LEU 67.A O no hydrogen 3.218 N/A LYS 72.A N MET 68.A O no hydrogen 2.978 N/A LYS 72.A NZ GLU 3.A O no hydrogen 2.931 N/A ILE 73.A N SER 69.A O no hydrogen 2.626 N/A LEU 74.A N GLU 70.A O no hydrogen 2.830 N/A ILE 75.A N LEU 71.A O no hydrogen 3.082 N/A HIS 76.A N LYS 72.A O no hydrogen 2.737 N/A ILE 77.A N ILE 73.A O no hydrogen 2.727 N/A GLY 78.A N LEU 74.A O no hydrogen 3.291 N/A ASN 82.A N HIS 80.A ND1 no hydrogen 2.784 N/A ASN 82.A ND2 VAL 177.A O no hydrogen 2.950 N/A VAL 83.A N HIS 80.A O no hydrogen 3.390 N/A VAL 84.A N ILE 179.A O no hydrogen 3.032 N/A ASN 85.A N GLU 102.A OE2 no hydrogen 2.856 N/A ASN 85.A ND2 HIS 80.A O no hydrogen 3.621 N/A ASN 85.A ND2 VAL 83.A O no hydrogen 3.017 N/A LEU 87.A N ILE 100.A O no hydrogen 2.715 N/A GLY 88.A N ILE 100.A O no hydrogen 2.967 N/A ALA 89.A N TRP 12.A O no hydrogen 2.954 N/A CYS 90.A N MET 98.A O no hydrogen 2.665 N/A CYS 90.A SG PHE 14.A O no hydrogen 3.116 N/A THR 91.A N GLU 13.A OE1 no hydrogen 3.213 N/A THR 91.A N GLU 13.A OE2 no hydrogen 2.727 N/A THR 91.A OG1 TYR 7.A OH no hydrogen 3.410 N/A THR 91.A OG1 GLU 13.A OE1 no hydrogen 2.382 N/A LYS 92.A N GLU 13.A OE2 no hydrogen 3.307 N/A MET 98.A N CYS 90.A O no hydrogen 3.300 N/A VAL 99.A N LYS 53.A O no hydrogen 3.023 N/A ILE 100.A N GLY 88.A O no hydrogen 2.610 N/A THR 101.A N ALA 51.A O no hydrogen 2.848 N/A THR 101.A OG1 GLU 102.A O no hydrogen 2.896 N/A GLU 102.A N ASN 85.A O no hydrogen 2.994 N/A PHE 106.A N LEU 171.A O no hydrogen 3.251 N/A GLY 107.A N CYS 104.A O no hydrogen 3.119 N/A ASN 108.A ND2 THR 111.A OG1 no hydrogen 2.839 N/A LEU 109.A N ILE 169.A O no hydrogen 2.737 N/A SER 110.A OG GLY 224.A O no hydrogen 3.460 N/A THR 111.A N ASN 108.A OD1 no hydrogen 2.649 N/A THR 111.A OG1 ASN 108.A OD1 no hydrogen 2.837 N/A TYR 112.A N ASN 108.A O no hydrogen 3.255 N/A LEU 113.A N LEU 109.A O no hydrogen 2.773 N/A ARG 114.A N SER 110.A O no hydrogen 3.122 N/A ARG 114.A NE GLY 224.A O no hydrogen 3.115 N/A SER 115.A N THR 111.A O no hydrogen 3.184 N/A SER 115.A N TYR 112.A O no hydrogen 3.015 N/A SER 115.A OG TYR 112.A O no hydrogen 2.751 N/A LYS 116.A N LEU 113.A O no hydrogen 2.997 N/A LYS 116.A NZ GLU 119.A OE2 no hydrogen 2.870 N/A LYS 116.A NZ ASP 133.A O no hydrogen 2.910 N/A ARG 117.A NE LEU 223.A O no hydrogen 2.702 N/A ARG 117.A NH1 SER 222.A O no hydrogen 3.547 N/A ARG 117.A NH1 LEU 223.A O no hydrogen 3.161 N/A GLU 119.A N LYS 116.A O no hydrogen 2.755 N/A VAL 121.A N LEU 135.A O no hydrogen 3.220 N/A LYS 124.A NZ TYR 131.A O no hydrogen 2.949 N/A LYS 132.A N ASP 129.A O no hydrogen 3.291 N/A LEU 135.A N GLU 119.A O no hydrogen 3.113 N/A THR 136.A N HIS 139.A ND1 no hydrogen 2.834 N/A THR 136.A OG1 HIS 139.A ND1 no hydrogen 2.852 N/A LEU 137.A N PRO 122.A O no hydrogen 3.190 N/A HIS 139.A ND1 THR 136.A OG1 no hydrogen 2.852 N/A LEU 140.A N THR 136.A O no hydrogen 3.076 N/A ILE 141.A N LEU 137.A O no hydrogen 2.783 N/A CYS 142.A N GLU 138.A O no hydrogen 2.805 N/A TYR 143.A N HIS 139.A O no hydrogen 2.879 N/A SER 144.A N LEU 140.A O no hydrogen 3.209 N/A SER 144.A OG LEU 140.A O no hydrogen 2.956 N/A PHE 145.A N ILE 141.A O no hydrogen 2.889 N/A GLN 146.A N CYS 142.A O no hydrogen 2.854 N/A GLN 146.A NE2 ASN 175.A O no hydrogen 2.771 N/A VAL 147.A N TYR 143.A O no hydrogen 3.026 N/A ALA 148.A N SER 144.A O no hydrogen 2.942 N/A LYS 149.A N PHE 145.A O no hydrogen 2.913 N/A GLY 150.A N GLN 146.A O no hydrogen 2.926 N/A MET 151.A N VAL 147.A O no hydrogen 2.889 N/A GLU 152.A N ALA 148.A O no hydrogen 2.900 N/A PHE 153.A N LYS 149.A O no hydrogen 3.107 N/A LEU 154.A N GLY 150.A O no hydrogen 2.987 N/A ALA 155.A N MET 151.A O no hydrogen 2.829 N/A SER 156.A N GLU 152.A O no hydrogen 2.766 N/A ARG 157.A N PHE 153.A O no hydrogen 2.975 N/A ARG 157.A NH2 HIS 76.A O no hydrogen 2.994 N/A LYS 158.A N ALA 155.A O no hydrogen 2.663 N/A CYS 159.A N LEU 154.A O no hydrogen 2.693 N/A CYS 159.A SG ARG 157.A O no hydrogen 3.496 N/A HIS 161.A N ASP 209.A OD2 no hydrogen 2.775 N/A HIS 161.A NE2 CYS 180.A O no hydrogen 2.688 N/A ARG 162.A N ASP 209.A OD1 no hydrogen 3.371 N/A ASP 163.A N HIS 161.A ND1 no hydrogen 2.886 N/A ALA 166.A N GLU 219.A OE1 no hydrogen 2.928 N/A ARG 167.A NH1 ASP 163.A OD1 no hydrogen 3.085 N/A ARG 167.A NH1 ASP 163.A OD2 no hydrogen 3.073 N/A ARG 167.A NH2 ASP 163.A OD2 no hydrogen 2.750 N/A ASN 168.A N ALA 165.A O no hydrogen 2.685 N/A ASN 168.A ND2 ASP 163.A O no hydrogen 2.769 N/A ILE 169.A N ALA 166.A O no hydrogen 2.930 N/A LEU 170.A N LYS 178.A O no hydrogen 2.732 N/A LEU 171.A N GLY 107.A O no hydrogen 2.895 N/A SER 172.A N VAL 176.A O no hydrogen 2.905 N/A VAL 177.A N GLN 146.A OE1 no hydrogen 2.755 N/A LYS 178.A N LEU 170.A O no hydrogen 2.821 N/A LYS 178.A NZ LEU 81.A O no hydrogen 2.781 N/A ILE 179.A N ASN 82.A O no hydrogen 2.799 N/A CYS 180.A N ASN 168.A O no hydrogen 2.854 N/A PHE 182.A N ASN 168.A OD1 no hydrogen 3.166 N/A GLY 183.A N ASP 181.A OD2 no hydrogen 2.941 N/A ARG 188.A NE ASP 186.A OD1 no hydrogen 3.507 N/A ARG 188.A NE ASP 186.A OD2 no hydrogen 2.638 N/A ARG 188.A NH1 ASP 186.A OD2 no hydrogen 3.130 N/A LEU 189.A N ASP 186.A O no hydrogen 2.867 N/A LYS 192.A N LEU 189.A O no hydrogen 3.157 N/A LYS 192.A NZ PRO 227.A O no hydrogen 3.091 N/A TRP 193.A N PRO 190.A O no hydrogen 2.981 N/A TRP 193.A NE1 GLU 219.A OE1 no hydrogen 2.962 N/A MET 194.A N LEU 191.A O no hydrogen 3.208 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.910 N/A THR 198.A N ALA 195.A O no hydrogen 2.640 N/A THR 198.A OG1 VAL 203.A O no hydrogen 3.084 N/A ILE 199.A N ALA 195.A O no hydrogen 3.004 N/A PHE 200.A N PRO 196.A O no hydrogen 2.964 N/A ASP 201.A N GLU 197.A O no hydrogen 3.149 N/A THR 205.A N SER 208.A OG no hydrogen 2.922 N/A GLN 207.A NE2 PRO 269.A O no hydrogen 3.241 N/A GLN 207.A NE2 ARG 272.A O no hydrogen 3.102 N/A GLN 207.A NE2 PRO 273.A O no hydrogen 3.087 N/A SER 208.A N THR 205.A O no hydrogen 3.032 N/A SER 208.A OG THR 205.A O no hydrogen 2.615 N/A ASP 209.A N THR 205.A O no hydrogen 3.367 N/A ASP 209.A N ILE 206.A O no hydrogen 3.282 N/A VAL 210.A N GLN 207.A O no hydrogen 3.146 N/A TRP 211.A N GLN 207.A O no hydrogen 3.351 N/A SER 212.A N SER 208.A O no hydrogen 3.153 N/A SER 212.A OG TRP 193.A O no hydrogen 2.626 N/A SER 212.A OG SER 208.A O no hydrogen 3.361 N/A PHE 213.A N ASP 209.A O no hydrogen 2.825 N/A GLY 214.A N VAL 210.A O no hydrogen 3.134 N/A GLY 214.A N TRP 211.A O no hydrogen 2.797 N/A VAL 215.A N TRP 211.A O no hydrogen 3.300 N/A LEU 216.A N SER 212.A O no hydrogen 2.988 N/A LEU 217.A N PHE 213.A O no hydrogen 3.099 N/A TRP 218.A N GLY 214.A O no hydrogen 3.195 N/A TRP 218.A NE1 ARG 248.A O no hydrogen 3.108 N/A GLU 219.A N VAL 215.A O no hydrogen 2.894 N/A ILE 220.A N LEU 216.A O no hydrogen 2.829 N/A PHE 221.A N LEU 217.A O no hydrogen 2.937 N/A SER 222.A N GLU 219.A O no hydrogen 3.368 N/A SER 222.A OG TRP 218.A O no hydrogen 2.846 N/A SER 222.A OG GLU 219.A O no hydrogen 2.800 N/A LEU 223.A N ILE 220.A O no hydrogen 3.169 N/A GLY 224.A N GLU 219.A O no hydrogen 2.858 N/A ALA 225.A N SER 222.A O no hydrogen 3.344 N/A ALA 225.A N SER 222.A OG no hydrogen 3.054 N/A VAL 231.A N TYR 228.A O no hydrogen 3.145 N/A ASP 234.A N LYS 232.A O no hydrogen 2.859 N/A PHE 237.A N ASP 234.A O no hydrogen 3.161 N/A PHE 237.A N ASP 234.A OD2 no hydrogen 3.066 N/A CYS 238.A N ASP 234.A O no hydrogen 3.307 N/A CYS 238.A SG ASP 234.A O no hydrogen 3.707 N/A ARG 239.A N GLU 235.A O no hydrogen 3.136 N/A ARG 239.A NH2 GLU 243.A OE2 no hydrogen 2.670 N/A ARG 240.A N GLU 236.A O no hydrogen 2.847 N/A LEU 241.A N PHE 237.A O no hydrogen 2.977 N/A LYS 242.A N CYS 238.A O no hydrogen 3.220 N/A GLU 243.A N ARG 239.A O no hydrogen 2.957 N/A GLY 244.A N LEU 241.A O no hydrogen 2.919 N/A THR 245.A N ARG 240.A O no hydrogen 3.149 N/A THR 245.A OG1 ARG 240.A O no hydrogen 2.410 N/A ARG 246.A NE TRP 265.A O no hydrogen 2.882 N/A ARG 246.A NH1 LEU 241.A O no hydrogen 3.093 N/A ARG 246.A NH1 THR 245.A O no hydrogen 2.778 N/A ARG 246.A NH2 TRP 265.A O no hydrogen 2.651 N/A TYR 252.A N PHE 221.A O no hydrogen 2.929 N/A THR 253.A OG1 THR 254.A O no hydrogen 2.911 N/A THR 254.A OG1 GLU 256.A OE1 no hydrogen 3.370 N/A MET 257.A N THR 254.A OG1 no hydrogen 3.065 N/A TYR 258.A N THR 254.A O no hydrogen 2.963 N/A TYR 258.A OH MET 247.A O no hydrogen 2.417 N/A GLN 259.A N PRO 255.A O no hydrogen 3.131 N/A GLN 259.A NE2 ASP 263.A OD1 no hydrogen 3.217 N/A THR 260.A N GLU 256.A O no hydrogen 2.945 N/A THR 260.A OG1 GLU 256.A O no hydrogen 3.219 N/A MET 261.A N MET 257.A O no hydrogen 2.978 N/A LEU 262.A N TYR 258.A O no hydrogen 3.143 N/A ASP 263.A N GLN 259.A O no hydrogen 2.760 N/A CYS 264.A N THR 260.A O no hydrogen 2.948 N/A CYS 264.A SG THR 260.A O no hydrogen 3.246 N/A TRP 265.A N MET 261.A O no hydrogen 3.011 N/A TRP 265.A N LEU 262.A O no hydrogen 2.836 N/A GLU 268.A N HIS 266.A ND1 no hydrogen 2.683 N/A GLN 271.A N GLU 268.A O no hydrogen 2.777 N/A GLN 271.A NE2 SER 270.A OG no hydrogen 3.060 N/A ARG 272.A N PRO 269.A O no hydrogen 2.997 N/A ARG 272.A NE HIS 266.A O no hydrogen 2.913 N/A ARG 272.A NH1 GLU 197.A OE1 no hydrogen 3.331 N/A ARG 272.A NH1 GLU 197.A OE2 no hydrogen 2.557 N/A ARG 272.A NH1 GLN 207.A O no hydrogen 3.223 N/A ARG 272.A NH2 GLU 197.A OE1 no hydrogen 2.627 N/A ARG 272.A NH2 HIS 266.A O no hydrogen 3.324 N/A THR 274.A N GLU 277.A OE1 no hydrogen 2.630 N/A SER 276.A OG GLU 152.A OE2 no hydrogen 2.683 N/A GLU 277.A N THR 274.A OG1 no hydrogen 3.255 N/A LEU 278.A N THR 274.A O no hydrogen 2.743 N/A VAL 279.A N PHE 275.A O no hydrogen 2.710 N/A GLU 280.A N SER 276.A O no hydrogen 2.922 N/A HIS 281.A N GLU 277.A O no hydrogen 2.729 N/A LEU 282.A N LEU 278.A O no hydrogen 2.749 N/A GLY 283.A N VAL 279.A O no hydrogen 3.134 N/A ASN 284.A N GLU 280.A O no hydrogen 3.098 N/A LEU 285.A N HIS 281.A O no hydrogen 3.049 N/A LEU 286.A N LEU 282.A O no hydrogen 2.803 N/A GLN 287.A N GLY 283.A O no hydrogen 2.967 N/A ALA 288.A N ASN 284.A O no hydrogen 2.705 N/A ASN 289.A N LEU 285.A O no hydrogen 2.886 N/A ASN 289.A N LEU 286.A O no hydrogen 3.185 N/A ALA 290.A N LEU 286.A O no hydrogen 3.376 N/A