Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N SER 92.A O no hydrogen 3.006 N/A ARG 7.A NH1 GLU 86.A OE1 no hydrogen 2.707 N/A ARG 7.A NH2 GLU 86.A OE1 no hydrogen 3.526 N/A ARG 7.A NH2 GLU 86.A OE2 no hydrogen 3.171 N/A GLU 9.A N SER 6.A OG no hydrogen 2.930 N/A ALA 10.A N SER 6.A O no hydrogen 2.972 N/A MET 11.A N ARG 7.A O no hydrogen 3.102 N/A ARG 12.A N VAL 8.A O no hydrogen 3.247 N/A LEU 13.A N ALA 10.A O no hydrogen 3.022 N/A TRP 17.A N GLY 14.A O no hydrogen 2.773 N/A SER 18.A N ARG 98.A O no hydrogen 2.865 N/A HIS 19.A ND1 HIS 102.A NE2 no hydrogen 3.062 N/A HIS 19.A NE2 LEU 13.A O no hydrogen 2.930 N/A SER 20.A N VAL 100.A O no hydrogen 2.998 N/A CYS 21.A N GLY 58.A O no hydrogen 2.867 N/A CYS 21.A SG LEU 67.A O no hydrogen 3.788 N/A HIS 22.A N HIS 102.A O no hydrogen 3.004 N/A ALA 23.A N PRO 56.A O no hydrogen 2.940 N/A MET 24.A N TYR 104.A O no hydrogen 2.699 N/A TYR 26.A N ARG 106.A O no hydrogen 3.162 N/A ALA 27.A N SER 42.A O no hydrogen 2.949 N/A ASN 29.A N ARG 40.A O no hydrogen 2.757 N/A ASN 29.A ND2 SER 42.A OG no hydrogen 2.760 N/A GLY 31.A N ASN 29.A OD1 no hydrogen 2.970 N/A LEU 33.A N ILE 37.A O no hydrogen 2.771 N/A GLY 35.A N GLN 32.A O no hydrogen 3.266 N/A ARG 36.A N LEU 33.A O no hydrogen 2.808 N/A ILE 37.A N LEU 33.A O no hydrogen 2.931 N/A MET 39.A N GLY 31.A O no hydrogen 3.093 N/A ARG 40.A NH1 MET 173.A O no hydrogen 2.699 N/A ARG 40.A NH2 MET 173.A O no hydrogen 3.004 N/A PHE 41.A N MET 39.A O no hydrogen 2.713 N/A SER 42.A N ALA 27.A O no hydrogen 2.851 N/A LEU 44.A N LEU 25.A O no hydrogen 3.013 N/A MET 45.A N VAL 134.A O no hydrogen 2.894 N/A GLN 46.A N GLY 54.A O no hydrogen 2.878 N/A MET 47.A N GLY 132.A O no hydrogen 2.792 N/A ARG 48.A N LEU 52.A O no hydrogen 2.920 N/A ARG 48.A NE ASP 50.A OD1 no hydrogen 2.961 N/A ARG 48.A NH2 ASP 50.A OD2 no hydrogen 2.674 N/A PHE 49.A N GLU 129.A O no hydrogen 3.046 N/A GLY 51.A N ARG 48.A O no hydrogen 2.899 N/A LEU 52.A N ASP 50.A OD1 no hydrogen 3.332 N/A LEU 53.A N ALA 155.A O no hydrogen 2.818 N/A GLY 54.A N GLN 46.A O no hydrogen 2.887 N/A GLY 58.A N CYS 21.A O no hydrogen 2.958 N/A VAL 60.A N HIS 19.A O no hydrogen 2.783 N/A ARG 63.A N ASP 61.A OD1 no hydrogen 3.019 N/A ARG 63.A NE ASP 61.A OD1 no hydrogen 3.231 N/A ARG 63.A NE ASP 61.A OD2 no hydrogen 2.979 N/A ARG 63.A NH2 ASP 61.A OD2 no hydrogen 2.821 N/A PHE 64.A N ASP 61.A O no hydrogen 3.002 N/A TRP 65.A N ASP 61.A O no hydrogen 2.946 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.622 N/A ASP 69.A N SER 66.A OG no hydrogen 3.105 N/A GLY 70.A N SER 66.A O no hydrogen 2.859 N/A LEU 71.A N LEU 67.A O no hydrogen 2.899 N/A ASN 72.A N GLU 68.A O no hydrogen 2.929 N/A ASN 72.A ND2 LEU 84.A O no hydrogen 2.774 N/A ARG 73.A N ASP 69.A O no hydrogen 2.892 N/A VAL 74.A N GLY 70.A O no hydrogen 3.324 N/A LEU 75.A N LEU 71.A O no hydrogen 2.886 N/A GLY 76.A N ASN 72.A O no hydrogen 2.796 N/A LEU 77.A N ARG 73.A O no hydrogen 3.286 N/A GLY 78.A N VAL 74.A O no hydrogen 3.080 N/A LEU 79.A N LEU 75.A O no hydrogen 2.778 N/A GLY 80.A N LEU 75.A O no hydrogen 2.912 N/A CYS 81.A SG LEU 79.A O no hydrogen 3.742 N/A CYS 81.A SG SER 119.A OG no hydrogen 2.683 N/A LEU 84.A N ASN 72.A OD1 no hydrogen 2.792 N/A THR 85.A N ASP 88.A OD2 no hydrogen 2.923 N/A ALA 87.A N THR 85.A OG1 no hydrogen 3.146 N/A ASP 88.A N THR 85.A O no hydrogen 2.904 N/A TYR 89.A N GLU 86.A O no hydrogen 3.051 N/A TYR 89.A OH SER 92.A OG no hydrogen 2.477 N/A LEU 90.A N LEU 103.A O no hydrogen 2.811 N/A SER 91.A N LEU 103.A O no hydrogen 3.210 N/A SER 91.A OG HIS 93.A NE2 no hydrogen 3.425 N/A SER 92.A OG TYR 89.A OH no hydrogen 2.477 N/A SER 92.A OG HIS 102.A ND1 no hydrogen 2.903 N/A HIS 93.A N ALA 101.A O no hydrogen 2.956 N/A LEU 94.A N LYS 3.A O no hydrogen 2.888 N/A THR 95.A N VAL 99.A O no hydrogen 3.091 N/A THR 95.A OG1 VAL 99.A O no hydrogen 3.108 N/A VAL 99.A N THR 95.A OG1 no hydrogen 3.332 N/A VAL 100.A N SER 18.A O no hydrogen 2.858 N/A ALA 101.A N HIS 93.A O no hydrogen 2.792 N/A HIS 102.A N SER 20.A O no hydrogen 2.762 N/A HIS 102.A ND1 SER 92.A OG no hydrogen 2.903 N/A HIS 102.A NE2 HIS 19.A ND1 no hydrogen 3.062 N/A LEU 103.A N SER 91.A O no hydrogen 2.846 N/A TYR 104.A N HIS 22.A O no hydrogen 2.827 N/A TYR 104.A OH GLU 86.A OE2 no hydrogen 2.739 N/A ALA 105.A N ASP 88.A O no hydrogen 2.904 N/A ARG 106.A N MET 24.A O no hydrogen 2.997 N/A ARG 106.A NE ASP 88.A OD1 no hydrogen 2.835 N/A ARG 106.A NH1 ARG 83.A O no hydrogen 3.366 N/A ARG 106.A NH2 ARG 83.A O no hydrogen 3.400 N/A ARG 106.A NH2 ASP 88.A OD1 no hydrogen 3.512 N/A ARG 106.A NH2 ASP 88.A OD2 no hydrogen 2.601 N/A LEU 108.A N TYR 26.A O no hydrogen 2.649 N/A THR 109.A N GLN 112.A OE1 no hydrogen 2.964 N/A THR 109.A OG1 GLN 112.A OE1 no hydrogen 3.351 N/A GLN 112.A N THR 109.A OG1 no hydrogen 3.037 N/A LEU 113.A N THR 109.A O no hydrogen 2.882 N/A HIS 114.A N LEU 110.A O no hydrogen 2.993 N/A HIS 114.A ND1 GLU 111.A OE2 no hydrogen 3.123 N/A ALA 115.A N GLU 111.A O no hydrogen 2.790 N/A VAL 116.A N GLN 112.A O no hydrogen 3.017 N/A GLU 117.A N LEU 113.A O no hydrogen 3.119 N/A ILE 118.A N HIS 114.A O no hydrogen 2.904 N/A SER 119.A N ALA 115.A O no hydrogen 2.876 N/A SER 119.A OG LEU 79.A O no hydrogen 2.673 N/A SER 119.A OG ALA 115.A O no hydrogen 3.451 N/A SER 119.A OG VAL 116.A O no hydrogen 3.020 N/A ALA 120.A N VAL 116.A O no hydrogen 2.826 N/A VAL 121.A N GLU 117.A O no hydrogen 3.307 N/A HIS 122.A N SER 119.A O no hydrogen 3.038 N/A HIS 122.A ND1 ILE 118.A O no hydrogen 2.837 N/A SER 123.A N ALA 120.A O no hydrogen 2.924 N/A SER 123.A OG LEU 77.A O no hydrogen 3.282 N/A SER 123.A OG GLY 78.A O no hydrogen 3.216 N/A SER 123.A OG ALA 120.A O no hydrogen 3.057 N/A ARG 124.A NH2 GLY 76.A O no hydrogen 3.380 N/A ASP 125.A N LEU 77.A O no hydrogen 2.939 N/A HIS 126.A N SER 123.A O no hydrogen 3.409 N/A GLY 127.A N VAL 130.A O no hydrogen 2.760 N/A LEU 128.A N ASP 125.A O no hydrogen 2.979 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.862 N/A VAL 130.A N ASP 125.A O no hydrogen 3.039 N/A LEU 131.A N MET 47.A O no hydrogen 2.767 N/A VAL 134.A N MET 45.A O no hydrogen 2.908 N/A ARG 135.A NE GLU 117.A OE2 no hydrogen 2.885 N/A ARG 135.A NH2 GLU 117.A OE1 no hydrogen 3.043 N/A VAL 136.A N VAL 43.A O no hydrogen 2.764 N/A GLN 141.A N GLY 146.A O no hydrogen 2.712 N/A ARG 144.A N GLN 141.A O no hydrogen 2.912 N/A VAL 145.A N ASP 143.A OD1 no hydrogen 3.160 N/A GLY 146.A N ASP 143.A OD1 no hydrogen 2.817 N/A PHE 148.A N TYR 139.A O no hydrogen 2.805 N/A ASN 150.A N VAL 145.A O no hydrogen 2.803 N/A PHE 151.A N GLY 147.A O no hydrogen 2.871 N/A LEU 152.A N PHE 148.A O no hydrogen 2.988 N/A SER 153.A N ASN 150.A O no hydrogen 2.922 N/A SER 153.A OG PRO 149.A O no hydrogen 3.037 N/A ASN 154.A N PHE 151.A O no hydrogen 3.312 N/A ASN 154.A ND2 PHE 151.A O no hydrogen 2.990 N/A VAL 157.A N LEU 53.A O no hydrogen 2.972 N/A LYS 161.A N VAL 157.A O no hydrogen 3.049 N/A LYS 161.A NZ LEU 152.A O no hydrogen 3.049 N/A CYS 162.A N SER 158.A O no hydrogen 3.052 N/A CYS 162.A SG SER 158.A O no hydrogen 3.478 N/A GLN 163.A N THR 159.A O no hydrogen 2.911 N/A LEU 164.A N ALA 160.A O no hydrogen 2.908 N/A LEU 165.A N LYS 161.A O no hydrogen 3.250 N/A PHE 166.A N CYS 162.A O no hydrogen 2.909 N/A ALA 167.A N GLN 163.A O no hydrogen 2.795 N/A LEU 168.A N LEU 164.A O no hydrogen 2.886 N/A LYS 169.A N LEU 165.A O no hydrogen 3.172 N/A VAL 170.A N PHE 166.A O no hydrogen 2.913 N/A LEU 171.A N ALA 167.A O no hydrogen 2.873 N/A ASN 172.A N LYS 169.A O no hydrogen 2.941 N/A ASN 172.A ND2 VAL 170.A O no hydrogen 3.274 N/A MET 173.A N LEU 168.A O no hydrogen 2.952 N/A MET 174.A N LEU 168.A O no hydrogen 3.271 N/A LYS 178.A N PRO 175.A O no hydrogen 2.989 N/A LEU 179.A N PRO 175.A O no hydrogen 3.175 N/A VAL 180.A N GLU 176.A O no hydrogen 2.937 N/A GLU 181.A N GLU 177.A O no hydrogen 2.977 N/A ALA 182.A N LYS 178.A O no hydrogen 2.873 N/A LEU 183.A N LEU 179.A O no hydrogen 2.885 N/A ALA 184.A N VAL 180.A O no hydrogen 2.931 N/A ALA 185.A N GLU 181.A O no hydrogen 2.956 N/A ALA 186.A N ALA 182.A O no hydrogen 2.962 N/A THR 187.A N LEU 183.A O no hydrogen 2.986 N/A THR 187.A OG1 LEU 183.A O no hydrogen 3.324 N/A THR 187.A OG1 ALA 184.A O no hydrogen 3.053 N/A GLU 188.A N ALA 184.A O no hydrogen 3.127 N/A LYS 189.A N ALA 185.A O no hydrogen 2.986 N/A GLN 190.A N ALA 186.A O no hydrogen 2.851 N/A GLN 190.A NE2 SER 153.A O no hydrogen 3.190 N/A LYS 191.A N THR 187.A O no hydrogen 2.904 N/A LYS 192.A N GLU 188.A O no hydrogen 2.781 N/A ALA 193.A N LYS 189.A O no hydrogen 2.867 N/A LEU 194.A N GLN 190.A O no hydrogen 3.096 N/A GLU 195.A N ALA 193.A O no hydrogen 2.747 N/A