Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jg6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A SG HIS 17.A NE2 no hydrogen 3.458 N/A CYS 4.A SG HIS 175.A ND1 no hydrogen 3.603 N/A ALA 5.A N MET 1.A O no hydrogen 3.069 N/A PHE 6.A N GLU 3.A O no hydrogen 3.290 N/A GLY 7.A N ASN 2.A O no hydrogen 2.954 N/A THR 8.A N ALA 5.A O no hydrogen 3.071 N/A THR 8.A OG1 ALA 5.A O no hydrogen 3.193 N/A LYS 9.A NZ ASN 2.A OD1 no hydrogen 2.704 N/A LYS 9.A NZ GLY 7.A O no hydrogen 3.120 N/A TYR 13.A N ASP 10.A OD1 no hydrogen 3.217 N/A LEU 14.A N ASP 10.A O no hydrogen 3.010 N/A ASN 15.A N PRO 11.A O no hydrogen 2.785 N/A TYR 16.A N VAL 12.A O no hydrogen 3.355 N/A HIS 17.A N TYR 13.A O no hydrogen 2.945 N/A HIS 17.A ND1 ASP 18.A OD1 no hydrogen 2.822 N/A ASP 18.A N LEU 14.A O no hydrogen 2.727 N/A HIS 19.A N ASN 15.A O no hydrogen 2.886 N/A VAL 20.A N TYR 16.A O no hydrogen 3.029 N/A TRP 21.A N TYR 16.A O no hydrogen 2.839 N/A GLY 22.A N ALA 168.A O no hydrogen 2.958 N/A GLN 23.A N VAL 20.A O no hydrogen 3.012 N/A GLN 23.A NE2 SER 181.A O no hydrogen 3.012 N/A LEU 25.A N ALA 169.A O no hydrogen 2.917 N/A LYS 29.A NZ GLU 64.A OE1.A no hydrogen 3.394 N/A LYS 29.A NZ GLU 64.A OE2.B no hydrogen 2.769 N/A ALA 30.A N ASP 27.A OD2 no hydrogen 2.898 N/A LEU 31.A N ASP 27.A O no hydrogen 2.921 N/A PHE 32.A N SER 28.A O no hydrogen 3.020 N/A LYS 33.A N LYS 29.A O no hydrogen 3.033 N/A LYS 33.A NZ GLU 57.A OE2 no hydrogen 2.613 N/A LEU 34.A N ALA 30.A O no hydrogen 3.019 N/A LEU 35.A N LEU 31.A O no hydrogen 2.924 N/A ALA 36.A N PHE 32.A O no hydrogen 2.802 N/A LEU 37.A N LYS 33.A O no hydrogen 2.899 N/A GLU 38.A N LEU 34.A O no hydrogen 2.858 N/A SER 39.A N LEU 35.A O no hydrogen 3.015 N/A SER 39.A OG ALA 36.A O no hydrogen 2.534 N/A GLN 40.A N LEU 37.A O no hydrogen 2.936 N/A GLN 40.A NE2 SER 39.A OG no hydrogen 3.147 N/A GLN 40.A NE2 LYS 91.A O no hydrogen 2.992 N/A HIS 41.A N GLU 38.A O no hydrogen 3.081 N/A HIS 41.A ND1 GLU 38.A OE2 no hydrogen 3.198 N/A LEU 44.A N HIS 41.A O no hydrogen 2.920 N/A SER 45.A OG THR 48.A OG1 no hydrogen 2.971 N/A THR 48.A N SER 45.A O no hydrogen 3.022 N/A THR 48.A N SER 45.A OG no hydrogen 3.270 N/A THR 48.A OG1 SER 45.A OG no hydrogen 2.971 N/A LEU 50.A N TRP 46.A O no hydrogen 2.915 N/A LYS 51.A N LEU 47.A O no hydrogen 3.015 N/A LYS 52.A N ILE 49.A O no hydrogen 2.990 N/A LYS 52.A NZ ASN 84.A OD1 no hydrogen 3.088 N/A LYS 53.A N LEU 50.A O no hydrogen 3.328 N/A TYR 56.A N LYS 52.A O no hydrogen 2.910 N/A GLU 57.A N LYS 53.A O no hydrogen 2.931 N/A GLU 58.A N GLU 54.A O no hydrogen 3.077 N/A ALA 59.A N ALA 55.A O no hydrogen 2.904 N/A PHE 60.A N TYR 56.A O no hydrogen 2.900 N/A ASP 62.A N GLU 57.A O no hydrogen 2.805 N/A PHE 63.A N PHE 60.A O no hydrogen 2.793 N/A GLU 64.A N TYR 61.A O no hydrogen 3.096 N/A LYS 67.A N GLU 64.A O no hydrogen 3.037 N/A VAL 68.A N GLU 64.A O no hydrogen 2.919 N/A ALA 69.A N PRO 65.A O no hydrogen 2.858 N/A GLN 70.A N LYS 67.A O no hydrogen 3.337 N/A MET 71.A N VAL 68.A O no hydrogen 2.990 N/A THR 72.A N ASP 75.A OD2 no hydrogen 2.904 N/A THR 72.A OG1 ASP 75.A OD2 no hydrogen 3.486 N/A ILE 76.A N THR 72.A O no hydrogen 3.052 N/A ASP 77.A N ALA 73.A O no hydrogen 2.742 N/A ARG 78.A N GLN 74.A O no hydrogen 3.232 N/A ARG 78.A NH1 ASP 75.A OD1 no hydrogen 3.197 N/A ARG 78.A NH2 ASP 75.A OD1 no hydrogen 2.928 N/A LEU 79.A N ASP 75.A O no hydrogen 2.894 N/A MET 80.A N ILE 76.A O no hydrogen 2.965 N/A THR 81.A N ARG 78.A O no hydrogen 3.205 N/A THR 81.A OG1 ARG 78.A O no hydrogen 3.485 N/A PHE 82.A N LEU 79.A O no hydrogen 2.996 N/A VAL 86.A N TYR 56.A OH no hydrogen 2.969 N/A HIS 87.A NE2 PHE 82.A O no hydrogen 2.603 N/A ARG 89.A NE GLU 93.A OE2 no hydrogen 2.973 N/A ARG 89.A NH1 ASP 77.A OD1 no hydrogen 2.844 N/A ARG 89.A NH2 ALA 73.A O no hydrogen 3.401 N/A ARG 89.A NH2 ASP 77.A OD1 no hydrogen 3.041 N/A LYS 91.A N HIS 88.A ND1 no hydrogen 3.137 N/A LYS 91.A NZ GLN 40.A O no hydrogen 2.804 N/A LYS 91.A NZ ALA 42.A O no hydrogen 2.655 N/A LEU 92.A N HIS 88.A O no hydrogen 3.104 N/A GLU 93.A N ARG 89.A O no hydrogen 2.923 N/A ALA 94.A N LYS 90.A O no hydrogen 2.984 N/A ILE 95.A N LYS 91.A O no hydrogen 3.410 N/A ILE 95.A N LEU 92.A O no hydrogen 3.161 N/A ASN 97.A N GLU 93.A O no hydrogen 3.138 N/A GLN 98.A N ALA 94.A O no hydrogen 2.818 N/A GLN 98.A NE2 SER 39.A OG no hydrogen 3.051 N/A GLN 98.A NE2 LYS 155.A O no hydrogen 3.021 N/A ALA 99.A N ILE 95.A O no hydrogen 3.017 N/A GLN 100.A N VAL 96.A O no hydrogen 3.008 N/A GLN 100.A NE2 ALA 69.A O no hydrogen 3.021 N/A GLY 101.A N ASN 97.A O no hydrogen 2.907 N/A TYR 102.A N GLN 98.A O no hydrogen 2.833 N/A LEU 103.A N ALA 99.A O no hydrogen 3.125 N/A LYS 104.A N GLN 100.A O no hydrogen 3.081 N/A ILE 105.A N GLY 101.A O no hydrogen 2.895 N/A GLU 106.A N TYR 102.A O no hydrogen 2.910 N/A GLN 107.A N LEU 103.A O no hydrogen 2.925 N/A ALA 108.A N LYS 104.A O no hydrogen 3.054 N/A TYR 109.A N ILE 105.A O no hydrogen 2.713 N/A GLY 110.A N GLU 106.A O no hydrogen 2.828 N/A SER 111.A OG SER 28.A OG no hydrogen 3.324 N/A PHE 112.A N GLU 106.A OE1 no hydrogen 2.846 N/A SER 113.A N SER 28.A OG no hydrogen 2.945 N/A SER 113.A OG TYR 26.A O no hydrogen 2.577 N/A LYS 114.A N SER 111.A OG no hydrogen 3.087 N/A PHE 115.A N SER 111.A O no hydrogen 2.969 N/A LEU 116.A N PHE 112.A O no hydrogen 3.042 N/A TRP 117.A N SER 113.A O no hydrogen 2.866 N/A TRP 117.A NE1 LEU 25.A O no hydrogen 2.850 N/A SER 118.A N LYS 114.A O no hydrogen 3.048 N/A SER 118.A OG PHE 115.A O no hydrogen 2.692 N/A TYR 119.A N LEU 116.A O no hydrogen 2.991 N/A TYR 119.A OH ASP 148.A OD2 no hydrogen 2.626 N/A VAL 120.A N TRP 117.A O no hydrogen 3.050 N/A ASN 121.A N SER 118.A O no hydrogen 3.123 N/A GLY 122.A N TRP 117.A O no hydrogen 2.908 N/A LYS 123.A N VAL 120.A O no hydrogen 3.421 N/A LYS 125.A N LEU 171.A O no hydrogen 2.856 N/A LEU 127.A N ASP 173.A O no hydrogen 3.039 N/A GLN 128.A N ASP 126.A OD1 no hydrogen 2.908 N/A GLU 130.A N ASP 134.A OD2 no hydrogen 2.972 N/A HIS 131.A N ASP 134.A OD2 no hydrogen 2.903 N/A ALA 132.A N GLU 3.A OE2 no hydrogen 2.808 N/A ASP 134.A N HIS 131.A O no hydrogen 2.911 N/A ARG 135.A N ALA 132.A O no hydrogen 3.211 N/A ARG 135.A NE ALA 174.A O no hydrogen 2.979 N/A ARG 135.A NH1 CYS 4.A O no hydrogen 3.071 N/A ARG 135.A NH2 CYS 4.A O no hydrogen 2.958 N/A ARG 135.A NH2 ALA 174.A O no hydrogen 2.959 N/A ILE 136.A N TYR 129.A OH no hydrogen 3.412 N/A ALA 142.A N ASP 139.A OD1 no hydrogen 2.811 N/A THR 143.A N ASP 139.A O no hydrogen 3.146 N/A THR 143.A OG1 ASP 139.A O no hydrogen 2.940 N/A GLN 144.A N ASP 140.A O no hydrogen 2.917 N/A GLN 144.A NE2 ASP 148.A OD1 no hydrogen 2.911 N/A LEU 145.A N THR 141.A O no hydrogen 2.854 N/A SER 146.A N ALA 142.A O no hydrogen 2.843 N/A SER 146.A OG LEU 157.A O no hydrogen 2.744 N/A LYS 147.A N THR 143.A O no hydrogen 3.033 N/A ASP 148.A N GLN 144.A O no hydrogen 2.782 N/A LEU 149.A N LEU 145.A O no hydrogen 2.786 N/A LYS 150.A N SER 146.A O no hydrogen 2.970 N/A GLN 151.A N LYS 147.A O no hydrogen 3.292 N/A GLN 151.A N ASP 148.A O no hydrogen 3.269 N/A TYR 152.A N LEU 149.A O no hydrogen 2.947 N/A GLY 153.A N LYS 150.A O no hydrogen 2.938 N/A PHE 154.A N LEU 149.A O no hydrogen 3.316 N/A VAL 162.A N GLY 158.A O no hydrogen 2.855 N/A PHE 163.A N PRO 159.A O no hydrogen 2.822 N/A SER 164.A N VAL 160.A O no hydrogen 2.972 N/A SER 164.A OG.A VAL 160.A O no hydrogen 3.262 N/A SER 164.A OG.B GLU 38.A OE2 no hydrogen 2.959 N/A PHE 165.A N THR 161.A O no hydrogen 2.929 N/A LEU 166.A N VAL 162.A O no hydrogen 2.840 N/A GLU 167.A N PHE 163.A O no hydrogen 3.163 N/A ALA 168.A N SER 164.A O no hydrogen 2.925 N/A ALA 169.A N PHE 165.A O no hydrogen 2.843 N/A GLY 170.A N GLU 167.A O no hydrogen 3.280 N/A TYR 172.A N LEU 166.A O no hydrogen 2.976 N/A TYR 172.A OH ASP 139.A OD2 no hydrogen 2.601 N/A ASP 173.A N LYS 125.A O no hydrogen 2.875 N/A HIS 175.A N ASP 173.A OD1 no hydrogen 2.893 N/A HIS 175.A NE2 TRP 21.A O no hydrogen 2.757 N/A LYS 177.A N TYR 129.A O no hydrogen 2.871 N/A LYS 177.A NZ ASP 178.A OD1 no hydrogen 3.159 N/A LYS 177.A NZ ASP 178.A OD2 no hydrogen 3.288 N/A CYS 179.A N LEU 176.A O no hydrogen 2.892 N/A CYS 179.A SG HIS 175.A ND1 no hydrogen 3.695 N/A SER 181.A OG ASP 18.A O no hydrogen 3.517 N/A LYS 182.A N CYS 179.A O no hydrogen 3.064 N/A LYS 182.A NZ ASP 126.A OD1 no hydrogen 2.774 N/A LYS 182.A NZ ASP 173.A OD2 no hydrogen 2.920 N/A LYS 182.A NZ HIS 175.A O no hydrogen 3.214 N/A HIS 185.A NE2 ASP 173.A OD2 no hydrogen 2.636 N/A