Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tkp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 GLN 109.A OE1 no hydrogen 2.490 N/A LYS 4.A N ASP 113.A O no hydrogen 2.881 N/A LYS 4.A NZ ASP 113.A OD1 no hydrogen 3.060 N/A ALA 5.A N SER 3.A OG no hydrogen 3.292 N/A SER 8.A N LEU 137.A O no hydrogen 2.771 N/A SER 8.A OG ILE 7.A O no hydrogen 2.445 N/A LYS 9.A N LYS 6.A O no hydrogen 3.105 N/A ALA 11.A N GLY 135.A O no hydrogen 2.922 N/A TYR 13.A OH GLU 15.A OE1 no hydrogen 2.654 N/A GLY 16.A N LEU 27.A O no hydrogen 3.043 N/A THR 17.A OG1 GLU 26.A OE1 no hydrogen 3.552 N/A THR 17.A OG1 GLU 26.A OE2 no hydrogen 3.000 N/A ALA 18.A N LYS 25.A O no hydrogen 2.819 N/A VAL 19.A N LEU 102.A O no hydrogen 2.930 N/A ILE 20.A N GLU 23.A O no hydrogen 2.782 N/A GLU 23.A N ILE 20.A O no hydrogen 2.953 N/A LYS 25.A N ALA 18.A O no hydrogen 2.904 N/A LEU 27.A N GLY 16.A O no hydrogen 2.845 N/A LYS 28.A N ASP 31.A OD2 no hydrogen 3.088 N/A LEU 29.A N TRP 14.A O no hydrogen 2.907 N/A ASP 31.A N LYS 28.A O no hydrogen 2.950 N/A TYR 32.A N LEU 29.A O no hydrogen 3.099 N/A ARG 33.A N THR 30.A O no hydrogen 3.470 N/A ARG 33.A NE ASP 133.A O no hydrogen 3.123 N/A GLY 34.A N ASP 133.A O no hydrogen 2.858 N/A LYS 35.A N TYR 32.A O no hydrogen 2.859 N/A LYS 35.A NZ GLU 70.A OE2 no hydrogen 3.492 N/A TYR 36.A N ASN 68.A O no hydrogen 3.062 N/A TYR 36.A OH ASP 165.A OD2 no hydrogen 2.646 N/A LEU 37.A N ILE 131.A O no hydrogen 2.746 N/A VAL 38.A N GLU 70.A O no hydrogen 2.650 N/A PHE 39.A N PHE 129.A O no hydrogen 2.943 N/A PHE 40.A N VAL 72.A O no hydrogen 2.873 N/A PHE 41.A N GLY 127.A O no hydrogen 2.694 N/A TYR 42.A N CYS 74.A O no hydrogen 2.927 N/A TYR 42.A OH ASP 45.A OD1 no hydrogen 2.650 N/A ASP 45.A N ASP 77.A OD2 no hydrogen 2.801 N/A THR 47.A OG1 LEU 44.A O no hydrogen 2.536 N/A CYS 50.A SG LEU 44.A O no hydrogen 3.915 N/A CYS 50.A SG THR 47.A OG1 no hydrogen 3.452 N/A THR 52.A OG1 VAL 49.A O no hydrogen 2.698 N/A GLU 53.A N VAL 49.A O no hydrogen 3.047 N/A ILE 54.A N CYS 50.A O no hydrogen 3.045 N/A ILE 55.A N PRO 51.A O no hydrogen 2.994 N/A ALA 56.A N THR 52.A O no hydrogen 2.776 N/A PHE 57.A N GLU 53.A O no hydrogen 3.021 N/A GLY 58.A N ILE 54.A O no hydrogen 2.841 N/A ASP 59.A N ILE 55.A O no hydrogen 2.795 N/A ARG 60.A N PHE 57.A O no hydrogen 2.940 N/A ARG 60.A NE GLU 63.A OE2 no hydrogen 2.782 N/A ARG 60.A NH1 ASP 152.A OD1 no hydrogen 3.070 N/A ARG 60.A NH2 GLU 63.A OE1 no hydrogen 3.082 N/A ARG 60.A NH2 ASP 152.A OD1 no hydrogen 2.726 N/A LEU 61.A N GLY 58.A O no hydrogen 3.114 N/A GLU 63.A N ARG 60.A O no hydrogen 2.977 N/A PHE 64.A N LEU 61.A O no hydrogen 2.851 N/A ARG 65.A N LEU 61.A O no hydrogen 3.007 N/A ARG 65.A NE GLU 70.A OE1 no hydrogen 3.071 N/A ARG 65.A NE GLU 70.A OE2 no hydrogen 3.382 N/A ARG 65.A NH2 GLU 70.A OE1 no hydrogen 3.260 N/A SER 66.A N GLU 62.A O no hydrogen 2.957 N/A SER 66.A OG GLU 62.A O no hydrogen 2.957 N/A ILE 67.A N PHE 64.A O no hydrogen 3.182 N/A ASN 68.A N ARG 65.A O no hydrogen 3.034 N/A ASN 68.A ND2 GLY 34.A O no hydrogen 3.121 N/A THR 69.A N PHE 64.A O no hydrogen 2.896 N/A THR 69.A OG1 ILE 67.A O no hydrogen 2.847 N/A GLU 70.A N TYR 36.A O no hydrogen 2.858 N/A VAL 72.A N VAL 38.A O no hydrogen 2.847 N/A ALA 73.A N PRO 101.A O no hydrogen 3.216 N/A CYS 74.A N PHE 40.A O no hydrogen 2.841 N/A CYS 74.A SG SER 75.A O no hydrogen 3.895 N/A CYS 74.A SG LEU 103.A O no hydrogen 3.871 N/A SER 75.A N LEU 103.A O no hydrogen 3.311 N/A SER 75.A OG ASP 45.A OD1 no hydrogen 3.379 N/A SER 75.A OG ASP 77.A OD2 no hydrogen 2.610 N/A ASP 77.A N SER 75.A OG no hydrogen 3.207 N/A SER 78.A OG THR 81.A OG1 no hydrogen 3.399 N/A GLN 79.A N GLN 79.A OE1 no hydrogen 2.769 N/A THR 81.A N SER 78.A OG no hydrogen 3.127 N/A THR 81.A OG1 SER 78.A OG no hydrogen 3.399 N/A HIS 82.A N SER 78.A O no hydrogen 3.151 N/A HIS 82.A ND1 ASP 45.A OD2 no hydrogen 2.568 N/A HIS 82.A NE2 LEU 103.A O no hydrogen 2.835 N/A LEU 83.A N GLN 79.A O no hydrogen 3.035 N/A ALA 84.A N PHE 80.A O no hydrogen 3.080 N/A TRP 85.A N THR 81.A O no hydrogen 2.867 N/A TRP 85.A NE1 GLY 93.A O no hydrogen 2.888 N/A ILE 86.A N HIS 82.A O no hydrogen 2.969 N/A ASN 87.A N LEU 83.A O no hydrogen 2.947 N/A THR 88.A N TRP 85.A O no hydrogen 3.135 N/A THR 88.A OG1 ALA 84.A O no hydrogen 2.806 N/A ARG 90.A NE LEU 95.A O no hydrogen 3.152 N/A ARG 90.A NH1 ASP 59.A OD2 no hydrogen 3.395 N/A ARG 90.A NH2 ASP 59.A OD1 no hydrogen 3.122 N/A GLN 92.A N PRO 89.A O no hydrogen 2.870 N/A GLY 93.A N ARG 90.A O no hydrogen 2.813 N/A GLY 94.A N PRO 89.A O no hydrogen 3.028 N/A LEU 95.A N TRP 85.A O no hydrogen 3.002 N/A GLY 96.A N THR 88.A O no hydrogen 3.110 N/A ARG 99.A NH1 GLU 62.A OE2 no hydrogen 2.828 N/A ARG 99.A NH2 GLU 62.A OE2 no hydrogen 2.993 N/A LEU 102.A N VAL 19.A O no hydrogen 3.158 N/A LEU 103.A N ALA 73.A O no hydrogen 2.729 N/A SER 104.A N THR 17.A O no hydrogen 2.899 N/A SER 104.A OG ASP 77.A O no hydrogen 2.675 N/A ASP 105.A N SER 75.A O no hydrogen 2.931 N/A HIS 108.A N ASP 105.A O no hydrogen 3.015 N/A GLN 109.A N THR 107.A OG1 no hydrogen 3.404 N/A ILE 110.A N ASP 105.A OD1 no hydrogen 2.999 N/A SER 111.A N ASP 105.A OD2 no hydrogen 2.785 N/A SER 111.A OG ASP 105.A OD2 no hydrogen 2.590 N/A LYS 112.A N HIS 108.A O no hydrogen 2.989 N/A ASP 113.A N GLN 109.A O no hydrogen 2.903 N/A TYR 114.A N ILE 110.A O no hydrogen 2.975 N/A TYR 114.A N SER 111.A O no hydrogen 3.187 N/A TYR 114.A OH PRO 12.A O no hydrogen 2.950 N/A GLY 115.A N LYS 112.A O no hydrogen 2.994 N/A VAL 116.A N SER 111.A O no hydrogen 2.906 N/A LEU 118.A N HIS 123.A O no hydrogen 2.809 N/A SER 121.A N LEU 118.A O no hydrogen 3.072 N/A GLY 122.A N LEU 118.A O no hydrogen 2.965 N/A HIS 123.A ND1 THR 124.A O no hydrogen 2.668 N/A THR 124.A OG1 LEU 125.A O no hydrogen 2.962 N/A LEU 125.A N VAL 116.A O no hydrogen 2.990 N/A ARG 126.A N ASN 143.A O no hydrogen 3.147 N/A ARG 126.A NE LEU 145.A O no hydrogen 2.653 N/A ARG 126.A NH1 GLU 53.A OE1 no hydrogen 2.905 N/A ARG 126.A NH2 LEU 145.A O no hydrogen 3.058 N/A GLY 127.A N LEU 125.A O no hydrogen 3.212 N/A LEU 128.A N THR 141.A O no hydrogen 2.847 N/A PHE 129.A N PHE 39.A O no hydrogen 2.777 N/A ILE 130.A N GLN 139.A O no hydrogen 2.929 N/A ILE 131.A N LEU 37.A O no hydrogen 2.915 N/A ASP 132.A N ILE 136.A O no hydrogen 2.847 N/A LYS 134.A N ASP 132.A OD1 no hydrogen 2.745 N/A GLY 135.A N ASP 132.A O no hydrogen 2.945 N/A ILE 136.A N ASP 132.A OD1 no hydrogen 2.952 N/A LEU 137.A N LYS 9.A O no hydrogen 3.041 N/A ARG 138.A N ILE 130.A O no hydrogen 2.843 N/A ARG 138.A NH1 ASP 132.A OD2 no hydrogen 3.396 N/A ARG 138.A NH1 ASP 165.A OD1 no hydrogen 3.022 N/A GLN 139.A NE2 THR 141.A OG1 no hydrogen 2.757 N/A THR 141.A N LEU 128.A O no hydrogen 2.933 N/A THR 141.A OG1 GLN 139.A OE1 no hydrogen 2.653 N/A ASN 143.A N ARG 126.A O no hydrogen 2.888 N/A ASN 143.A ND2 VAL 147.A O no hydrogen 3.152 N/A LEU 145.A N ASP 144.A OD1 no hydrogen 2.715 N/A VAL 147.A N ASP 144.A O no hydrogen 3.360 N/A ARG 149.A N GLU 53.A OE2 no hydrogen 2.813 N/A ARG 149.A NE GLU 53.A OE2 no hydrogen 2.630 N/A ARG 149.A NH1 PHE 41.A O no hydrogen 2.896 N/A ARG 149.A NH2 PHE 41.A O no hydrogen 2.883 N/A ARG 149.A NH2 GLU 53.A OE1 no hydrogen 2.829 N/A ARG 149.A NH2 GLU 53.A OE2 no hydrogen 3.337 N/A GLU 153.A N SER 150.A OG no hydrogen 2.875 N/A THR 154.A N SER 150.A O no hydrogen 3.051 N/A THR 154.A OG1 SER 150.A O no hydrogen 2.932 N/A LEU 155.A N VAL 151.A O no hydrogen 2.783 N/A ARG 156.A N ASP 152.A O no hydrogen 2.940 N/A ARG 156.A NE GLU 153.A OE1 no hydrogen 2.898 N/A ARG 156.A NH1 TRP 175.A O no hydrogen 2.998 N/A ARG 156.A NH2 GLU 153.A OE2 no hydrogen 2.893 N/A LEU 157.A N GLU 153.A O no hydrogen 3.019 N/A VAL 158.A N THR 154.A O no hydrogen 2.924 N/A GLN 159.A N LEU 155.A O no hydrogen 2.878 N/A ALA 160.A N ARG 156.A O no hydrogen 2.761 N/A PHE 161.A N LEU 157.A O no hydrogen 2.816 N/A GLN 162.A N VAL 158.A O no hydrogen 2.939 N/A GLN 162.A NE2 ILE 67.A O no hydrogen 2.620 N/A TYR 163.A N GLN 159.A O no hydrogen 2.816 N/A TYR 163.A OH GLU 169.A OE1 no hydrogen 2.726 N/A THR 164.A N ALA 160.A O no hydrogen 2.859 N/A THR 164.A OG1 ALA 160.A O no hydrogen 3.272 N/A THR 164.A OG1 PHE 161.A O no hydrogen 3.174 N/A ASP 165.A N PHE 161.A O no hydrogen 2.879 N/A LYS 166.A N GLN 162.A O no hydrogen 3.092 N/A HIS 167.A N TYR 163.A O no hydrogen 2.972 N/A GLY 168.A N THR 164.A O no hydrogen 3.256 N/A VAL 170.A N ILE 182.A O no hydrogen 2.737 N/A TRP 175.A N PRO 172.A O no hydrogen 3.046 N/A LYS 176.A N SER 179.A OG no hydrogen 3.302 N/A SER 179.A N LYS 176.A O no hydrogen 2.965 N/A SER 179.A OG LYS 176.A O no hydrogen 3.129 N/A THR 181.A OG1 GLU 169.A OE1 no hydrogen 2.581 N/A ILE 182.A N VAL 170.A O no hydrogen 3.016 N/A ASP 185.A N ILE 183.A O no hydrogen 3.001 N/A ALA 187.A N ASP 185.A OD2 no hydrogen 2.879 N/A GLY 188.A N ASP 185.A OD1 no hydrogen 3.233 N/A GLY 188.A N ASP 185.A OD2 no hydrogen 3.240 N/A LYS 189.A N ASP 185.A O no hydrogen 3.016 N/A LEU 190.A N ALA 187.A O no hydrogen 3.058 N/A LYS 191.A N GLY 188.A O no hydrogen 3.034 N/A TYR 192.A N LYS 189.A O no hydrogen 2.990 N/A PHE 193.A N LYS 189.A O no hydrogen 3.048 N/A ASP 194.A N LEU 190.A O no hydrogen 2.763 N/A LEU 196.A N TYR 192.A O no hydrogen 3.445 N/A ASN 197.A N ASP 194.A O no hydrogen 3.339 N/A ASN 197.A ND2 PHE 193.A O no hydrogen 2.800 N/A