Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shj_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N SER 129.A OG no hydrogen 2.754 N/A THR 1.A N GLY 168.A O no hydrogen 3.060 N/A THR 1.A N SER 169.A OG no hydrogen 3.293 N/A THR 2.A N ASP 17.A OD1 no hydrogen 2.742 N/A THR 2.A OG1 SER 169.A OG no hydrogen 2.699 N/A ILE 3.A N LEU 127.A O no hydrogen 3.084 N/A VAL 4.A N ALA 15.A O no hydrogen 2.835 N/A GLY 5.A N LEU 125.A O no hydrogen 2.824 N/A VAL 6.A N VAL 13.A O no hydrogen 2.783 N/A LYS 7.A N TYR 123.A O no hydrogen 2.757 N/A LYS 7.A NZ SER 108.A O no hydrogen 2.702 N/A LYS 7.A NZ SER 108.A OG no hydrogen 3.388 N/A PHE 8.A N GLY 11.A O no hydrogen 3.035 N/A ASN 9.A N LEU 146.A O no hydrogen 2.886 N/A GLY 11.A N PHE 8.A O no hydrogen 2.979 N/A VAL 12.A N MET 178.A O no hydrogen 2.836 N/A VAL 13.A N VAL 6.A O no hydrogen 2.879 N/A ILE 14.A N CYS 176.A O no hydrogen 3.167 N/A ALA 15.A N VAL 4.A O no hydrogen 2.958 N/A ALA 16.A N ASP 174.A O no hydrogen 2.961 N/A ASP 17.A N THR 2.A O no hydrogen 3.088 N/A THR 18.A N GLY 170.A O no hydrogen 3.374 N/A THR 18.A OG1 LYS 29.A O no hydrogen 3.011 N/A ARG 19.A N ASP 17.A OD2 no hydrogen 3.286 N/A ARG 19.A NH1 LEU 167.A O no hydrogen 2.681 N/A SER 20.A N ASP 28.A O no hydrogen 2.899 N/A GLN 22.A N ILE 25.A O no hydrogen 2.772 N/A ILE 25.A N GLN 22.A O no hydrogen 2.896 N/A ALA 27.A N SER 20.A O no hydrogen 2.822 N/A ASP 28.A N SER 20.A O no hydrogen 3.163 N/A ASN 30.A N ASP 28.A OD2 no hydrogen 2.895 N/A ASN 30.A ND2 ASN 189.A OD1 no hydrogen 3.272 N/A CYS 31.A N THR 18.A O no hydrogen 2.904 N/A LYS 33.A NZ THR 1.A OG1 no hydrogen 2.511 N/A LYS 33.A NZ ASP 17.A OD1 no hydrogen 2.786 N/A LYS 33.A NZ ASP 17.A OD2 no hydrogen 3.047 N/A LYS 33.A NZ ARG 19.A O no hydrogen 2.631 N/A HIS 35.A N CYS 43.A O no hydrogen 2.526 N/A ILE 37.A N ILE 41.A O no hydrogen 2.798 N/A SER 38.A N ILE 41.A O no hydrogen 3.281 N/A LYS 40.A NZ LYS 182.A O no hydrogen 2.872 N/A ILE 41.A N SER 38.A O no hydrogen 3.197 N/A TRP 42.A N ALA 101.A O no hydrogen 2.756 N/A TRP 42.A NE1 PRO 39.A O no hydrogen 2.859 N/A CYS 43.A N HIS 35.A O no hydrogen 2.527 N/A CYS 43.A SG THR 56.A OG1 no hydrogen 3.771 N/A ALA 44.A N ILE 99.A O no hydrogen 3.131 N/A ALA 46.A N TYR 97.A O no hydrogen 2.696 N/A THR 52.A N THR 48.A O no hydrogen 3.018 N/A THR 52.A OG1 ALA 49.A O no hydrogen 3.182 N/A GLU 53.A N ALA 49.A O no hydrogen 3.013 N/A ALA 54.A N ALA 50.A O no hydrogen 2.908 N/A VAL 55.A N ASP 51.A O no hydrogen 2.872 N/A THR 56.A N THR 52.A O no hydrogen 3.054 N/A GLN 57.A N GLU 53.A O no hydrogen 3.059 N/A LEU 58.A N ALA 54.A O no hydrogen 2.951 N/A ILE 59.A N VAL 55.A O no hydrogen 3.264 N/A GLY 60.A N THR 56.A O no hydrogen 3.024 N/A SER 61.A N GLN 57.A O no hydrogen 2.625 N/A ASN 62.A N LEU 58.A O no hydrogen 2.928 N/A ILE 63.A N ILE 59.A O no hydrogen 2.699 N/A GLU 64.A N GLY 60.A O no hydrogen 3.118 N/A LEU 65.A N SER 61.A O no hydrogen 2.975 N/A HIS 66.A N ASN 62.A O no hydrogen 2.667 N/A SER 67.A N ILE 63.A O no hydrogen 2.715 N/A SER 67.A OG ARG 72.A O no hydrogen 2.959 N/A LEU 68.A N GLU 64.A O no hydrogen 3.105 N/A TYR 69.A N LEU 65.A O no hydrogen 2.907 N/A THR 70.A N HIS 66.A O no hydrogen 2.804 N/A THR 70.A OG1 HIS 66.A O no hydrogen 3.004 N/A THR 70.A OG1 SER 67.A O no hydrogen 3.506 N/A SER 71.A N LEU 68.A O no hydrogen 3.356 N/A ARG 72.A N SER 67.A O no hydrogen 3.337 N/A ARG 72.A NH1 THR 70.A O no hydrogen 2.996 N/A VAL 76.A N ASP 104.A OD1 no hydrogen 2.860 N/A SER 78.A N ARG 75.A O no hydrogen 2.719 N/A ALA 79.A N ARG 75.A O no hydrogen 3.306 N/A LEU 80.A N VAL 76.A O no hydrogen 2.874 N/A GLN 81.A N VAL 77.A O no hydrogen 2.940 N/A MET 82.A N SER 78.A O no hydrogen 2.798 N/A LEU 83.A N ALA 79.A O no hydrogen 2.838 N/A LYS 84.A N LEU 80.A O no hydrogen 3.153 N/A LYS 84.A NZ THR 119.A OG1 no hydrogen 2.821 N/A GLN 85.A N GLN 81.A O no hydrogen 3.144 N/A HIS 86.A N MET 82.A O no hydrogen 3.311 N/A LEU 87.A N LEU 83.A O no hydrogen 2.890 N/A PHE 88.A N LYS 84.A O no hydrogen 2.772 N/A LYS 89.A N GLN 85.A O no hydrogen 3.119 N/A TYR 90.A N HIS 86.A O no hydrogen 3.347 N/A GLN 91.A N PHE 88.A O no hydrogen 2.910 N/A GLN 91.A NE2 PHE 88.A O no hydrogen 3.007 N/A HIS 93.A N TYR 90.A O no hydrogen 2.673 N/A ALA 96.A N ILE 94.A O no hydrogen 2.414 N/A TYR 97.A N ALA 46.A O no hydrogen 3.038 N/A LEU 98.A N ILE 113.A O no hydrogen 2.925 N/A ILE 99.A N ALA 44.A O no hydrogen 2.877 N/A VAL 100.A N PHE 111.A O no hydrogen 2.976 N/A ALA 101.A N TRP 42.A O no hydrogen 3.086 N/A GLY 102.A N HIS 109.A O no hydrogen 3.254 N/A VAL 103.A N LYS 40.A O no hydrogen 2.983 N/A ASP 104.A N GLY 107.A O no hydrogen 3.008 N/A THR 106.A N ASP 104.A OD2 no hydrogen 2.956 N/A THR 106.A OG1 ASP 104.A OD2 no hydrogen 2.700 N/A THR 106.A OG1 HIS 109.A NE2 no hydrogen 3.141 N/A GLY 107.A N ASP 104.A O no hydrogen 2.833 N/A SER 108.A OG GLY 11.A O no hydrogen 3.508 N/A HIS 109.A N GLY 102.A O no hydrogen 2.890 N/A HIS 109.A NE2 ASP 104.A OD2 no hydrogen 3.180 N/A HIS 109.A NE2 THR 106.A OG1 no hydrogen 3.141 N/A PHE 111.A N VAL 100.A O no hydrogen 2.892 N/A SER 112.A N ASP 120.A O no hydrogen 3.083 N/A ILE 113.A N LEU 98.A O no hydrogen 2.795 N/A HIS 114.A N SER 118.A O no hydrogen 3.053 N/A GLY 117.A N HIS 114.A O no hydrogen 2.728 N/A ASP 120.A N SER 112.A O no hydrogen 2.918 N/A TYR 124.A OH GLU 139.A OE1 no hydrogen 3.293 N/A TYR 124.A OH GLU 139.A OE2 no hydrogen 3.018 N/A LEU 125.A N GLY 5.A O no hydrogen 2.939 N/A SER 126.A OG SER 131.A O no hydrogen 2.878 N/A LEU 127.A N ILE 3.A O no hydrogen 2.883 N/A SER 129.A OG THR 1.A O no hydrogen 3.339 N/A SER 129.A OG ASP 166.A OD2 no hydrogen 2.489 N/A SER 129.A OG SER 169.A OG no hydrogen 3.423 N/A GLY 130.A N THR 1.A O no hydrogen 2.917 N/A SER 131.A N GLY 128.A O no hydrogen 2.926 N/A SER 131.A OG SER 126.A O no hydrogen 3.458 N/A ALA 134.A N GLY 130.A O no hydrogen 2.931 N/A MET 135.A N SER 131.A O no hydrogen 3.005 N/A ALA 136.A N LEU 132.A O no hydrogen 2.991 N/A VAL 137.A N ALA 133.A O no hydrogen 3.321 N/A LEU 138.A N ALA 134.A O no hydrogen 2.874 N/A GLU 139.A N MET 135.A O no hydrogen 2.676 N/A SER 140.A N VAL 137.A O no hydrogen 3.094 N/A SER 140.A OG ALA 136.A O no hydrogen 2.965 N/A HIS 141.A N VAL 137.A O no hydrogen 3.109 N/A HIS 141.A N LEU 138.A O no hydrogen 3.176 N/A TRP 142.A N LEU 138.A O no hydrogen 2.926 N/A LYS 143.A NZ GLU 150.A OE2 no hydrogen 3.181 N/A THR 147.A N GLU 150.A OE1 no hydrogen 2.898 N/A THR 147.A OG1 GLU 149.A OE2 no hydrogen 3.395 N/A LYS 148.A NZ GLU 185.A OE1 no hydrogen 3.001 N/A GLU 149.A N GLU 149.A OE2 no hydrogen 2.540 N/A GLU 150.A N THR 147.A OG1 no hydrogen 3.004 N/A ALA 151.A N THR 147.A O no hydrogen 2.942 N/A ILE 152.A N LYS 148.A O no hydrogen 3.054 N/A LYS 153.A N GLU 149.A O no hydrogen 2.938 N/A LYS 153.A NZ ASP 157.A OD1 no hydrogen 3.012 N/A LYS 153.A NZ ASP 157.A OD2 no hydrogen 2.902 N/A LEU 154.A N GLU 150.A O no hydrogen 2.829 N/A ALA 155.A N ALA 151.A O no hydrogen 2.810 N/A SER 156.A N ILE 152.A O no hydrogen 2.756 N/A ASP 157.A N LYS 153.A O no hydrogen 2.724 N/A ALA 158.A N LEU 154.A O no hydrogen 2.907 N/A ILE 159.A N ALA 155.A O no hydrogen 3.093 N/A GLN 160.A N SER 156.A O no hydrogen 3.195 N/A ALA 161.A N ASP 157.A O no hydrogen 3.023 N/A GLY 162.A N ALA 158.A O no hydrogen 3.393 N/A ILE 163.A N ILE 159.A O no hydrogen 3.015 N/A TRP 164.A N GLN 160.A O no hydrogen 2.955 N/A TRP 164.A NE1 GLN 160.A OE1 no hydrogen 3.201 N/A ASN 165.A N ALA 161.A O no hydrogen 2.951 N/A ASP 166.A N GLY 162.A O no hydrogen 2.696 N/A GLY 168.A N ASP 166.A OD1 no hydrogen 3.009 N/A SER 169.A N ASP 166.A O no hydrogen 3.338 N/A SER 169.A OG THR 2.A OG1 no hydrogen 2.699 N/A SER 169.A OG SER 129.A OG no hydrogen 3.423 N/A SER 169.A OG ASP 166.A OD2 no hydrogen 2.655 N/A GLY 170.A N ASP 17.A OD2 no hydrogen 3.212 N/A SER 171.A OG LYS 29.A O no hydrogen 2.615 N/A ASN 172.A N THR 18.A OG1 no hydrogen 2.793 N/A ASN 172.A ND2 LEU 191.A O no hydrogen 3.537 N/A VAL 173.A N LEU 191.A O no hydrogen 2.983 N/A ASP 174.A N ALA 16.A O no hydrogen 2.899 N/A VAL 175.A N LEU 187.A O no hydrogen 3.315 N/A CYS 176.A N ILE 14.A O no hydrogen 2.956 N/A VAL 177.A N GLU 185.A O no hydrogen 2.843 N/A MET 178.A N VAL 12.A O no hydrogen 2.852 N/A ILE 180.A N ASN 10.A O no hydrogen 2.926 N/A GLU 185.A N VAL 177.A O no hydrogen 2.723 N/A LEU 187.A N VAL 175.A O no hydrogen 2.579 N/A ARG 188.A NH1 ASP 174.A OD2 no hydrogen 2.555 N/A ARG 188.A NH2 ASN 30.A O no hydrogen 2.749 N/A ASN 189.A N ASP 174.A OD1 no hydrogen 2.614 N/A ASN 189.A ND2 ASN 30.A OD1 no hydrogen 2.800 N/A TYR 190.A N VAL 173.A O no hydrogen 2.765 N/A LEU 191.A N VAL 173.A O no hydrogen 3.230 N/A ASN 194.A ND2 SER 171.A O no hydrogen 2.825 N/A THR 209.A N PRO 206.A O no hydrogen 3.172 N/A THR 209.A OG1 PRO 206.A O no hydrogen 2.239 N/A ASN 219.A ND2 CYS 221.A O no hydrogen 3.273 N/A