Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pkw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 204.A OD1 no hydrogen 3.087 N/A LYS 3.A N GLU 202.A O no hydrogen 2.882 N/A GLN 4.A N GLU 202.A O no hydrogen 3.132 N/A LEU 5.A N GLN 43.A O no hydrogen 2.867 N/A THR 6.A N GLN 200.A O no hydrogen 2.831 N/A THR 6.A OG1 GLN 4.A OE1 no hydrogen 3.190 N/A LEU 7.A N GLN 45.A O no hydrogen 2.832 N/A TYR 8.A N TYR 57.A OH no hydrogen 3.196 N/A THR 9.A N ARG 47.A O no hydrogen 2.816 N/A THR 9.A OG1 SER 106.A OG no hydrogen 2.399 N/A GLU 11.A N THR 9.A OG1 no hydrogen 3.037 N/A MET 15.A N GLU 11.A O no hydrogen 2.898 N/A LEU 16.A N LEU 12.A O no hydrogen 2.816 N/A ALA 17.A N ASP 13.A O no hydrogen 3.023 N/A PHE 18.A N ARG 14.A O no hydrogen 2.846 N/A TYR 19.A N MET 15.A O no hydrogen 2.926 N/A TYR 19.A OH ASP 104.A OD2 no hydrogen 2.630 N/A THR 20.A N LEU 16.A O no hydrogen 2.997 N/A THR 20.A OG1 LEU 16.A O no hydrogen 2.847 N/A ASN 21.A N ALA 17.A O no hydrogen 2.977 N/A MET 22.A N PHE 18.A O no hydrogen 2.906 N/A LEU 23.A N TYR 19.A O no hydrogen 2.791 N/A GLY 24.A N THR 20.A O no hydrogen 2.877 N/A GLN 26.A N GLN 26.A OE1 no hydrogen 2.696 N/A HIS 27.A N GLY 24.A O no hydrogen 2.980 N/A HIS 27.A NE2 ASP 129.A OD1 no hydrogen 2.432 N/A VAL 28.A N ALA 25.A O no hydrogen 3.397 N/A HIS 29.A N THR 36.A O no hydrogen 2.895 N/A GLN 31.A N.A ALA 34.A O no hydrogen 2.696 N/A GLN 31.A N.B ALA 34.A O no hydrogen 2.692 N/A GLN 31.A NE2.B HIS 29.A ND1 no hydrogen 3.370 N/A ALA 34.A N GLN 31.A O.B no hydrogen 3.306 N/A PHE 35.A N PHE 46.A O no hydrogen 2.954 N/A THR 36.A N HIS 29.A O no hydrogen 2.982 N/A ILE 37.A N ILE 44.A O no hydrogen 2.954 N/A GLN 38.A N HIS 27.A O no hydrogen 2.836 N/A GLN 38.A NE2 GLY 40.A O no hydrogen 2.712 N/A LEU 39.A N SER 42.A O no hydrogen 2.576 N/A VAL 41.A N LEU 132.A O no hydrogen 3.131 N/A SER 42.A N LEU 39.A O no hydrogen 2.816 N/A SER 42.A OG ILE 2.A O no hydrogen 2.767 N/A GLN 43.A N LYS 3.A O no hydrogen 3.058 N/A ILE 44.A N ILE 37.A O no hydrogen 3.038 N/A GLN 45.A N LEU 5.A O no hydrogen 2.706 N/A GLN 45.A NE2 GLN 31.A OE1.B no hydrogen 3.529 N/A PHE 46.A N PHE 35.A O no hydrogen 2.784 N/A ARG 47.A N LEU 7.A O no hydrogen 2.757 N/A ARG 47.A NE GLN 45.A OE1 no hydrogen 2.530 N/A ALA 48.A N ASP 33.A O no hydrogen 3.160 N/A ALA 49.A N THR 9.A O no hydrogen 2.828 N/A THR 53.A N ALA 50.A O no hydrogen 3.198 N/A THR 53.A OG1 ALA 50.A O no hydrogen 2.750 N/A TYR 57.A N ASN 108.A OD1 no hydrogen 2.768 N/A TYR 57.A OH PRO 198.A O no hydrogen 2.581 N/A HIS 58.A N ASN 138.A OD1 no hydrogen 2.779 N/A HIS 58.A ND1 ILE 109.A O no hydrogen 3.016 N/A ILE 59.A N ILE 109.A O no hydrogen 2.927 N/A ALA 60.A N GLU 136.A O no hydrogen 2.933 N/A ILE 61.A N GLU 111.A O no hydrogen 2.797 N/A ASN 62.A N SER 133.A O no hydrogen 2.872 N/A ASN 62.A ND2 SER 133.A OG no hydrogen 3.004 N/A ASN 62.A ND2 ASP 175.A O no hydrogen 2.781 N/A ILE 63.A N ILE 113.A O no hydrogen 2.966 N/A ALA 65.A N PRO 120.A O no hydrogen 2.917 N/A ASN 66.A ND2 LEU 122.A O no hydrogen 2.864 N/A HIS 67.A N ALA 64.A O no hydrogen 3.093 N/A HIS 67.A ND1 GLN 130.A OE1.A no hydrogen 2.574 N/A GLN 69.A NE2 GLN 89.A OE1 no hydrogen 3.214 N/A GLY 71.A N HIS 67.A O no hydrogen 2.925 N/A LYS 72.A N PHE 68.A O no hydrogen 2.817 N/A LYS 72.A NZ ASP 88.A OD1 no hydrogen 2.739 N/A LYS 72.A NZ GLN 89.A OE1 no hydrogen 2.649 N/A ALA 73.A N GLN 69.A O no hydrogen 2.987 N/A TRP 74.A N GLU 70.A O no hydrogen 2.847 N/A LEU 75.A N GLY 71.A O no hydrogen 2.846 N/A SER 76.A N LYS 72.A O no hydrogen 3.113 N/A SER 76.A OG LYS 72.A O no hydrogen 3.566 N/A SER 76.A OG ALA 73.A O no hydrogen 2.761 N/A GLY 77.A N TRP 74.A O no hydrogen 3.051 N/A PHE 78.A N LEU 75.A O no hydrogen 2.908 N/A LEU 82.A N TYR 101.A O no hydrogen 2.886 N/A GLU 84.A N GLU 87.A O no hydrogen 2.989 N/A GLU 87.A N GLU 84.A O no hydrogen 3.071 N/A ALA 90.A N SER 99.A O no hydrogen 2.772 N/A TYR 91.A OH ASN 96.A OD1 no hydrogen 2.670 N/A PHE 92.A N ALA 97.A O no hydrogen 2.828 N/A ASN 96.A N PRO 93.A O no hydrogen 3.091 N/A ALA 97.A N PHE 92.A O no hydrogen 3.184 N/A TYR 98.A N SER 114.A O no hydrogen 3.021 N/A SER 99.A N ALA 90.A O no hydrogen 2.834 N/A SER 99.A OG GLU 111.A OE2 no hydrogen 2.629 N/A CYS 100.A N LEU 112.A O no hydrogen 3.119 N/A VAL 102.A N ILE 110.A O no hydrogen 2.893 N/A ASP 104.A N ASN 108.A O no hydrogen 3.205 N/A SER 106.A N ASP 104.A OD1 no hydrogen 2.931 N/A SER 106.A OG THR 9.A OG1 no hydrogen 2.399 N/A GLY 107.A N ASP 104.A O no hydrogen 2.870 N/A ASN 108.A N ASP 104.A OD1 no hydrogen 2.972 N/A ASN 108.A ND2 ASP 104.A OD2 no hydrogen 2.867 N/A ILE 109.A N TYR 57.A O no hydrogen 2.968 N/A ILE 110.A N VAL 102.A O no hydrogen 2.883 N/A GLU 111.A N ILE 59.A O no hydrogen 2.840 N/A LEU 112.A N CYS 100.A O no hydrogen 2.858 N/A ILE 113.A N ILE 61.A O no hydrogen 2.971 N/A SER 114.A N TYR 98.A O no hydrogen 2.784 N/A SER 114.A OG ALA 64.A O no hydrogen 2.803 N/A ARG 115.A NE ASN 62.A OD1 no hydrogen 2.776 N/A GLN 116.A N ASN 96.A O no hydrogen 2.872 N/A GLN 116.A NE2 ALA 65.A O no hydrogen 3.195 N/A GLN 116.A NE2 SER 114.A O no hydrogen 3.018 N/A LEU 122.A N ASN 66.A OD1 no hydrogen 2.883 N/A LYS 124.A N LEU 122.A O no hydrogen 2.799 N/A PHE 126.A N GLU 70.A OE2 no hydrogen 2.822 N/A ASP 129.A N SER 127.A OG no hydrogen 3.052 N/A GLN 130.A N SER 127.A O no hydrogen 2.719 N/A GLN 130.A NE2.A LYS 124.A O no hydrogen 3.168 N/A LEU 131.A N ALA 128.A O no hydrogen 3.496 N/A LEU 132.A N ASN 62.A O no hydrogen 2.929 N/A ILE 134.A N SER 42.A OG no hydrogen 3.040 N/A GLY 135.A N ALA 60.A O no hydrogen 2.777 N/A GLU 136.A N ALA 60.A O no hydrogen 3.163 N/A ASN 138.A N HIS 58.A O no hydrogen 3.310 N/A ASN 138.A ND2 THR 140.A OG1 no hydrogen 2.811 N/A ILE 139.A N LEU 179.A O no hydrogen 2.739 N/A THR 141.A N GLY 181.A O no hydrogen 2.909 N/A THR 141.A OG1 ASP 143.A O no hydrogen 3.481 N/A THR 141.A OG1 GLY 215.A O no hydrogen 2.595 N/A SER 142.A N GLY 215.A O no hydrogen 3.035 N/A SER 142.A OG THR 214.A O no hydrogen 3.141 N/A ASP 143.A N THR 141.A OG1 no hydrogen 3.124 N/A GLN 146.A N ASP 143.A OD1 no hydrogen 2.860 N/A ALA 147.A N ASP 143.A O no hydrogen 2.942 N/A ALA 148.A N VAL 144.A O no hydrogen 2.795 N/A THR 149.A N GLU 145.A O no hydrogen 3.025 N/A THR 149.A OG1 GLU 145.A O no hydrogen 3.268 N/A ARG 150.A N GLN 146.A O no hydrogen 3.083 N/A ARG 150.A NH1 GLU 216.A OE2 no hydrogen 2.833 N/A ARG 150.A NH1 LEU 217.A O no hydrogen 2.705 N/A ARG 150.A NH2 GLU 216.A OE2 no hydrogen 3.355 N/A LEU 151.A N ALA 147.A O no hydrogen 2.980 N/A LYS 152.A N ALA 148.A O no hydrogen 3.000 N/A LYS 152.A NZ VAL 158.A O no hydrogen 3.468 N/A GLN 153.A N THR 149.A O no hydrogen 2.898 N/A ALA 154.A N ARG 150.A O no hydrogen 2.855 N/A GLU 155.A N LYS 152.A O no hydrogen 2.624 N/A LEU 156.A N LEU 151.A O no hydrogen 2.931 N/A GLN 162.A N LYS 159.A O no hydrogen 2.766 N/A ILE 163.A N LEU 160.A O no hydrogen 3.163 N/A GLU 164.A N ASN 169.A OD1 no hydrogen 2.702 N/A GLY 167.A N GLU 164.A O no hydrogen 3.088 N/A ASN 169.A N LEU 180.A O no hydrogen 2.646 N/A ASN 169.A ND2 GLU 164.A O no hydrogen 2.845 N/A ASN 169.A ND2 LEU 180.A O no hydrogen 3.098 N/A ILE 171.A N LEU 178.A O no hydrogen 2.874 N/A LEU 176.A N ASP 173.A O no hydrogen 3.258 N/A PHE 177.A N GLY 135.A O no hydrogen 2.836 N/A LEU 178.A N ILE 171.A O no hydrogen 2.806 N/A LEU 179.A N ILE 137.A O no hydrogen 2.922 N/A LEU 180.A N ASN 169.A O no hydrogen 2.935 N/A GLY 181.A N ILE 139.A O no hydrogen 3.187 N/A GLY 184.A N ALA 194.A O no hydrogen 2.813 N/A ARG 186.A NH1 GLU 84.A OE1 no hydrogen 3.047 N/A ARG 186.A NH1 SER 190.A O no hydrogen 2.912 N/A ARG 186.A NH2 GLU 84.A OE1 no hydrogen 3.553 N/A ARG 186.A NH2 GLU 84.A OE2 no hydrogen 2.737 N/A TRP 187.A N ARG 192.A O no hydrogen 2.878 N/A PHE 189.A N GLU 84.A OE1 no hydrogen 2.760 N/A SER 190.A N TRP 187.A O no hydrogen 3.106 N/A ARG 192.A N SER 190.A OG no hydrogen 2.934 N/A ALA 194.A N ARG 185.A O no hydrogen 2.915 N/A LEU 199.A N ILE 211.A O no hydrogen 3.148 N/A GLN 200.A N THR 6.A O no hydrogen 3.235 N/A MET 201.A N LEU 209.A O no hydrogen 2.926 N/A GLU 202.A N GLN 4.A O no hydrogen 2.793 N/A LEU 203.A N VAL 207.A O no hydrogen 2.681 N/A ASP 204.A N SER 1.A O no hydrogen 2.731 N/A GLY 206.A N LEU 203.A O no hydrogen 3.041 N/A VAL 207.A N ASN 205.A OD1 no hydrogen 2.696 N/A LEU 209.A N MET 201.A O no hydrogen 2.940 N/A ALA 210.A N VAL 218.A O no hydrogen 2.697 N/A ILE 211.A N LEU 199.A O no hydrogen 2.892 N/A THR 212.A N GLU 216.A O no hydrogen 2.923 N/A THR 212.A OG1 THR 214.A OG1 no hydrogen 3.167 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.724 N/A THR 214.A N THR 212.A OG1 no hydrogen 3.310 N/A THR 214.A OG1 THR 212.A OG1 no hydrogen 3.167 N/A GLY 215.A N THR 212.A O no hydrogen 2.889 N/A GLU 216.A N THR 212.A OG1 no hydrogen 3.207 N/A VAL 218.A N ALA 210.A O no hydrogen 2.749 N/A