Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wy3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 101.A OE1 no hydrogen 3.527 N/A HIS 4.A N ILE 99.A O no hydrogen 2.866 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.779 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.784 N/A LEU 6.A N CYS 97.A O no hydrogen 2.923 N/A ARG 7.A N HIS 28.A O no hydrogen 2.912 N/A TYR 8.A N ARG 95.A O no hydrogen 2.753 N/A TYR 8.A OH GLU 63.A OE1 no hydrogen 3.294 N/A TYR 8.A OH GLU 63.A OE2 no hydrogen 2.591 N/A ASN 9.A N GLU 26.A O no hydrogen 2.940 N/A ASN 9.A ND2 GLU 26.A OE2 no hydrogen 2.902 N/A LEU 10.A N GLU 93.A O no hydrogen 2.978 N/A MET 11.A N LEU 24.A O no hydrogen 2.920 N/A VAL 12.A N LEU 91.A O no hydrogen 2.857 N/A SER 14.A N HIS 89.A O no hydrogen 2.952 N/A SER 14.A OG SER 18.A O no hydrogen 3.242 N/A GLN 15.A N SER 18.A O no hydrogen 2.983 N/A SER 18.A N GLN 15.A O no hydrogen 3.040 N/A GLN 20.A N LEU 13.A O no hydrogen 2.775 N/A LEU 24.A N MET 11.A O no hydrogen 2.921 N/A GLU 26.A N ASN 9.A O no hydrogen 2.965 N/A GLY 27.A N LEU 35.A O no hydrogen 2.996 N/A HIS 28.A N ARG 7.A O no hydrogen 2.883 N/A LEU 29.A N GLN 32.A O no hydrogen 2.742 N/A ASP 30.A N SER 5.A O no hydrogen 2.840 N/A GLN 32.A N LEU 29.A O no hydrogen 3.017 N/A PHE 34.A N GLY 27.A O no hydrogen 3.006 N/A LEU 35.A N GLY 27.A O no hydrogen 3.201 N/A ARG 36.A N LYS 45.A O no hydrogen 2.896 N/A ARG 36.A NE PRO 46.A O no hydrogen 3.249 N/A ASP 38.A N ARG 43.A O no hydrogen 2.853 N/A ARG 39.A NH2 GLN 20.A OE1 no hydrogen 3.271 N/A ARG 39.A NH2 SER 21.A O no hydrogen 2.940 N/A GLN 40.A N ASP 38.A OD1 no hydrogen 3.245 N/A LYS 41.A N ASP 38.A OD1 no hydrogen 3.183 N/A ARG 43.A N ASP 38.A O no hydrogen 3.276 N/A ARG 43.A NH2 ASP 61.A OD1 no hydrogen 2.830 N/A ALA 44.A N THR 64.A OG1 no hydrogen 2.879 N/A LYS 45.A N ARG 36.A O no hydrogen 2.788 N/A LYS 45.A NZ ASP 38.A OD2 no hydrogen 3.204 N/A GLN 47.A N PHE 34.A O no hydrogen 2.961 N/A GLN 49.A NE2 ASP 53.A OD2 no hydrogen 3.118 N/A GLU 52.A N GLY 48.A O no hydrogen 3.013 N/A ASP 53.A N GLN 49.A O no hydrogen 2.936 N/A VAL 54.A N TRP 50.A O no hydrogen 2.894 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.744 N/A THR 59.A N GLY 56.A O no hydrogen 3.050 N/A THR 59.A OG1 GLY 56.A O no hydrogen 2.699 N/A TRP 60.A N ALA 57.A O no hydrogen 3.150 N/A ASP 61.A N GLU 58.A O no hydrogen 3.082 N/A THR 62.A N.A GLU 58.A O no hydrogen 3.151 N/A THR 62.A N.B GLU 58.A O no hydrogen 3.174 N/A THR 62.A OG1.A GLU 58.A O no hydrogen 3.410 N/A THR 62.A OG1.B GLU 58.A O no hydrogen 3.264 N/A THR 62.A OG1.B THR 59.A O no hydrogen 3.025 N/A GLU 63.A N THR 59.A O no hydrogen 2.931 N/A THR 64.A N TRP 60.A O no hydrogen 2.969 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.653 N/A GLU 65.A N ASP 61.A O no hydrogen 3.204 N/A ASP 66.A N THR 62.A O.A no hydrogen 2.917 N/A ASP 66.A N THR 62.A O.B no hydrogen 2.911 N/A LEU 67.A N GLU 63.A O no hydrogen 2.805 N/A THR 68.A N THR 64.A O no hydrogen 3.029 N/A THR 68.A OG1 THR 64.A O no hydrogen 2.889 N/A GLU 69.A N GLU 65.A O no hydrogen 3.107 N/A ASN 70.A N ASP 66.A O no hydrogen 2.999 N/A ASN 70.A ND2 GLU 93.A OE1 no hydrogen 3.221 N/A GLY 71.A N LEU 67.A O no hydrogen 2.705 N/A GLN 72.A N THR 68.A O no hydrogen 3.035 N/A ASP 73.A N GLU 69.A O no hydrogen 3.123 N/A LEU 74.A N ASN 70.A O no hydrogen 2.958 N/A ARG 75.A N GLY 71.A O no hydrogen 2.933 N/A ARG 75.A NE GLN 20.A O no hydrogen 2.866 N/A ARG 75.A NH1 GLN 72.A OE1 no hydrogen 2.961 N/A ARG 75.A NH2 VAL 19.A O no hydrogen 3.221 N/A ARG 75.A NH2 GLN 20.A O no hydrogen 3.342 N/A ARG 76.A N GLN 72.A O no hydrogen 3.029 N/A THR 77.A N ASP 73.A O no hydrogen 3.017 N/A THR 77.A OG1 ASP 73.A O no hydrogen 3.001 N/A LEU 78.A N LEU 74.A O no hydrogen 2.968 N/A THR 79.A N ARG 75.A O no hydrogen 3.078 N/A THR 79.A OG1 ARG 75.A O no hydrogen 3.177 N/A HIS 80.A N THR 77.A O no hydrogen 3.045 N/A HIS 80.A ND1 ARG 76.A O no hydrogen 2.933 N/A ILE 81.A N LEU 78.A O no hydrogen 3.151 N/A LYS 82.A N ASN 142.A OD1 no hydrogen 2.962 N/A LYS 85.A N ASP 83.A OD1 no hydrogen 3.268 N/A LYS 85.A NZ GLY 86.A O no hydrogen 3.106 N/A LYS 85.A NZ HIS 89.A NE2 no hydrogen 3.269 N/A HIS 89.A N SER 14.A O no hydrogen 2.821 N/A HIS 89.A NE2 GLY 86.A O no hydrogen 2.982 N/A SER 90.A N ASN 114.A OD1 no hydrogen 2.943 N/A LEU 91.A N VAL 12.A O no hydrogen 2.971 N/A GLN 92.A N TYR 112.A O no hydrogen 2.932 N/A GLN 92.A NE2 ASN 9.A OD1 no hydrogen 2.760 N/A GLU 93.A N LEU 10.A O no hydrogen 2.885 N/A ILE 94.A N HIS 110.A O no hydrogen 2.865 N/A ARG 95.A N TYR 8.A O no hydrogen 2.867 N/A ARG 95.A NE GLU 93.A OE2 no hydrogen 2.956 N/A ARG 95.A NH2 GLU 93.A OE2 no hydrogen 2.835 N/A VAL 96.A N SER 108.A O no hydrogen 2.955 N/A CYS 97.A N LEU 6.A O no hydrogen 3.015 N/A GLU 98.A N ARG 106.A O no hydrogen 2.937 N/A ILE 99.A N HIS 4.A O no hydrogen 2.911 N/A HIS 100.A N SER 104.A O no hydrogen 2.817 N/A HIS 100.A NE2 GLU 98.A OE1 no hydrogen 2.896 N/A SER 103.A N HIS 100.A O no hydrogen 2.765 N/A SER 104.A N ASP 102.A OD1 no hydrogen 3.008 N/A SER 104.A OG ASP 102.A OD1 no hydrogen 2.681 N/A SER 104.A OG ASP 102.A OD2 no hydrogen 3.488 N/A THR 105.A OG1 GLU 124.A OE2 no hydrogen 2.581 N/A ARG 106.A N GLU 98.A O no hydrogen 3.053 N/A ARG 106.A NH1 SER 104.A OG no hydrogen 2.777 N/A ARG 106.A NH1 THR 105.A O no hydrogen 3.166 N/A SER 108.A N VAL 96.A O no hydrogen 2.975 N/A SER 108.A OG HIS 110.A NE2 no hydrogen 2.864 N/A ARG 109.A N GLN 121.A O no hydrogen 2.927 N/A ARG 109.A NE GLN 121.A OE1 no hydrogen 2.640 N/A ARG 109.A NH1 GLU 93.A OE2 no hydrogen 3.561 N/A ARG 109.A NH2 GLN 121.A OE1 no hydrogen 3.099 N/A HIS 110.A N ILE 94.A O no hydrogen 2.894 N/A HIS 110.A ND1 SER 120.A OG no hydrogen 2.948 N/A HIS 110.A NE2 SER 108.A OG no hydrogen 2.864 N/A PHE 111.A N LEU 119.A O no hydrogen 2.859 N/A TYR 112.A N GLN 92.A O no hydrogen 2.874 N/A TYR 113.A N GLU 116.A O no hydrogen 2.849 N/A TYR 113.A OH ASP 83.A OD2 no hydrogen 2.468 N/A ASN 114.A N SER 90.A O no hydrogen 2.864 N/A GLU 116.A N TYR 113.A O no hydrogen 2.973 N/A PHE 118.A N PHE 111.A O no hydrogen 2.979 N/A SER 120.A N THR 129.A O no hydrogen 2.944 N/A SER 120.A OG HIS 110.A ND1 no hydrogen 2.948 N/A GLN 121.A N ARG 109.A O no hydrogen 2.857 N/A GLN 121.A NE2 TYR 155.A OH no hydrogen 3.191 N/A ASN 122.A N GLU 127.A O no hydrogen 2.836 N/A LEU 123.A N GLY 107.A O no hydrogen 2.891 N/A GLU 124.A N ASN 122.A OD1 no hydrogen 2.870 N/A THR 125.A N ASN 122.A OD1 no hydrogen 3.124 N/A GLN 126.A N ASN 122.A O no hydrogen 2.737 N/A GLN 126.A NE2.A LEU 123.A O no hydrogen 2.706 N/A GLU 127.A N THR 125.A OG1 no hydrogen 3.338 N/A THR 129.A N SER 120.A O no hydrogen 2.742 N/A SER 133.A N PRO 131.A O no hydrogen 2.932 N/A ARG 135.A NE GLU 116.A OE1 no hydrogen 2.806 N/A ARG 135.A NH2 GLU 116.A OE2 no hydrogen 3.037 N/A ALA 136.A N SER 133.A OG no hydrogen 2.989 N/A GLN 137.A N.A SER 133.A O no hydrogen 3.022 N/A GLN 137.A N.B SER 133.A O no hydrogen 3.015 N/A THR 138.A N SER 134.A O no hydrogen 3.066 N/A THR 138.A OG1 SER 134.A O no hydrogen 3.077 N/A LEU 139.A N ARG 135.A O no hydrogen 3.027 N/A ALA 140.A N ALA 136.A O no hydrogen 2.851 N/A MET 141.A N GLN 137.A O.A no hydrogen 3.098 N/A MET 141.A N GLN 137.A O.B no hydrogen 2.918 N/A ASN 142.A N THR 138.A O no hydrogen 2.947 N/A VAL 143.A N LEU 139.A O no hydrogen 3.002 N/A THR 144.A N ALA 140.A O no hydrogen 2.844 N/A THR 144.A OG1 ALA 140.A O no hydrogen 2.789 N/A THR 144.A OG1 MET 141.A O no hydrogen 3.406 N/A ASN 145.A N MET 141.A O no hydrogen 2.913 N/A PHE 146.A N ASN 142.A O no hydrogen 3.245 N/A TRP 147.A N VAL 143.A O no hydrogen 3.033 N/A TRP 147.A NE1 THR 77.A OG1 no hydrogen 3.319 N/A LYS 148.A N THR 144.A O no hydrogen 3.013 N/A GLU 149.A N ASN 145.A O no hydrogen 3.158 N/A HIS 154.A N LYS 150.A O no hydrogen 2.840 N/A TYR 155.A N THR 151.A O no hydrogen 3.174 N/A ARG 156.A N LYS 152.A O no hydrogen 2.992 N/A ARG 156.A NE GLN 126.A OE1.A no hydrogen 3.005 N/A ARG 156.A NH2 GLN 126.A OE1.A no hydrogen 3.544 N/A ALA 157.A N THR 153.A O no hydrogen 2.797 N/A MET 158.A N HIS 154.A O no hydrogen 3.287 N/A GLN 159.A N TYR 155.A O no hydrogen 3.342 N/A GLN 159.A NE2 ARG 106.A O no hydrogen 3.011 N/A GLN 159.A NE2 GLU 124.A OE2 no hydrogen 2.886 N/A ALA 160.A N ARG 156.A O no hydrogen 2.932 N/A ASP 161.A N ALA 157.A O no hydrogen 2.901 N/A CYS 162.A N MET 158.A O no hydrogen 3.123 N/A LEU 163.A N GLN 159.A O no hydrogen 2.915 N/A GLN 164.A N ALA 160.A O no hydrogen 2.956 N/A LYS 165.A N ASP 161.A O no hydrogen 3.137 N/A LYS 165.A NZ TYR 8.A OH no hydrogen 3.210 N/A LYS 165.A NZ GLU 63.A OE1 no hydrogen 3.260 N/A LYS 165.A NZ ASP 66.A OD2 no hydrogen 3.182 N/A LEU 166.A N CYS 162.A O no hydrogen 2.885 N/A GLN 167.A N.A LEU 163.A O no hydrogen 2.988 N/A GLN 167.A N.B LEU 163.A O no hydrogen 2.981 N/A ARG 168.A N GLN 164.A O no hydrogen 3.155 N/A TYR 169.A N LYS 165.A O no hydrogen 2.810 N/A TYR 169.A OH GLU 63.A OE2 no hydrogen 2.537 N/A LEU 170.A N LEU 166.A O no hydrogen 2.932 N/A LYS 171.A N GLN 167.A O.A no hydrogen 3.177 N/A LYS 171.A N GLN 167.A O.B no hydrogen 3.196 N/A SER 172.A N ARG 168.A O no hydrogen 3.218 N/A SER 172.A OG ARG 168.A O no hydrogen 2.969 N/A GLY 173.A N TYR 169.A O no hydrogen 3.412 N/A