Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c8f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N VAL 50.A O no hydrogen 2.862 N/A ARG 5.A N GLN 83.A OE1 no hydrogen 2.740 N/A ARG 5.A NE GLY 46.A O no hydrogen 3.390 N/A ILE 6.A N LYS 48.A O no hydrogen 2.833 N/A HIS 7.A N PHE 25.A O no hydrogen 2.741 N/A SER 8.A N PHE 25.A O no hydrogen 3.358 N/A GLU 10.A N ILE 23.A O no hydrogen 2.785 N/A CYS 12.A N ARG 21.A O no hydrogen 2.757 N/A CYS 12.A SG GLY 13.A O no hydrogen 3.936 N/A THR 14.A N GLY 19.A O no hydrogen 3.422 N/A THR 14.A OG1 GLY 70.A O no hydrogen 2.759 N/A GLY 17.A N THR 14.A O no hydrogen 2.972 N/A ILE 20.A N PHE 65.A O no hydrogen 2.979 N/A ARG 21.A N CYS 12.A O no hydrogen 2.703 N/A ARG 21.A NE THR 74.A OG1 no hydrogen 2.766 N/A ARG 21.A NH1 VAL 73.A O no hydrogen 2.510 N/A ARG 21.A NH1 HIS 100.A ND1 no hydrogen 3.219 N/A ARG 21.A NH2 GLY 70.A O no hydrogen 2.942 N/A ARG 21.A NH2 HIS 100.A ND1 no hydrogen 3.273 N/A PHE 22.A N GLY 72.A O no hydrogen 2.904 N/A ILE 23.A N GLU 10.A O no hydrogen 2.765 N/A THR 24.A N THR 74.A O no hydrogen 3.012 N/A PHE 25.A N SER 8.A O no hydrogen 2.743 N/A PHE 26.A N SER 76.A O no hydrogen 2.892 N/A GLN 27.A N ARG 5.A O no hydrogen 2.914 N/A GLN 27.A NE2 ASP 40.A O no hydrogen 2.964 N/A GLN 27.A NE2 ASP 43.A O no hydrogen 2.840 N/A GLY 28.A N THR 41.A O no hydrogen 2.440 N/A CYS 29.A N TRP 42.A O no hydrogen 2.940 N/A CYS 29.A SG MET 31.A O no hydrogen 4.027 N/A ARG 32.A N VAL 142.A O no hydrogen 3.037 N/A ARG 32.A NH2 CYS 29.A O no hydrogen 2.665 N/A ARG 32.A NH2 MET 31.A O no hydrogen 2.751 N/A LEU 34.A N LEU 141.A O no hydrogen 3.012 N/A CYS 36.A N CYS 33.A O no hydrogen 2.854 N/A ASP 40.A N ASN 38.A OD1 no hydrogen 2.729 N/A THR 41.A N ASN 38.A O no hydrogen 3.257 N/A THR 41.A OG1 ASN 38.A O no hydrogen 2.943 N/A TRP 42.A N ARG 39.A O no hydrogen 3.202 N/A HIS 45.A N ASP 43.A OD1 no hydrogen 2.564 N/A GLY 46.A N ASP 43.A O no hydrogen 3.322 N/A LYS 48.A N ILE 6.A O no hydrogen 2.695 N/A VAL 50.A N GLY 4.A O no hydrogen 2.863 N/A THR 51.A N ASP 54.A OD1 no hydrogen 2.978 N/A ASP 54.A N THR 51.A OG1 no hydrogen 3.063 N/A LEU 55.A N THR 51.A O no hydrogen 3.260 N/A MET 56.A N VAL 52.A O no hydrogen 3.083 N/A LYS 57.A N GLU 53.A O no hydrogen 3.289 N/A GLU 58.A N LEU 55.A O no hydrogen 2.906 N/A VAL 59.A N LEU 55.A O no hydrogen 2.939 N/A VAL 60.A N MET 56.A O no hydrogen 3.015 N/A TYR 62.A N VAL 59.A O no hydrogen 2.976 N/A ARG 63.A N VAL 60.A O no hydrogen 2.847 N/A ARG 63.A NE GLU 97.A O no hydrogen 3.151 N/A ARG 63.A NH1 GLU 97.A O no hydrogen 2.873 N/A ARG 63.A NH2 ARG 63.A O no hydrogen 3.351 N/A PHE 65.A N TYR 62.A O no hydrogen 2.736 N/A MET 66.A N ARG 63.A O no hydrogen 2.929 N/A GLY 71.A N ALA 68.A O no hydrogen 2.468 N/A GLY 72.A N ILE 20.A O no hydrogen 2.964 N/A VAL 73.A N HIS 100.A O no hydrogen 2.849 N/A THR 74.A N PHE 22.A O no hydrogen 2.892 N/A ALA 75.A N CYS 102.A O no hydrogen 2.926 N/A SER 76.A N THR 24.A O no hydrogen 2.977 N/A SER 76.A OG ASP 104.A OD1 no hydrogen 3.481 N/A GLY 78.A N PHE 26.A O no hydrogen 3.113 N/A GLU 79.A N GLY 28.A O no hydrogen 2.974 N/A ILE 81.A N GLU 79.A OE2 no hydrogen 3.232 N/A LEU 82.A N GLU 79.A O no hydrogen 3.129 N/A GLN 83.A N ALA 80.A O no hydrogen 3.015 N/A GLN 83.A NE2 ARG 5.A O no hydrogen 2.826 N/A GLN 83.A NE2 GLN 27.A O no hydrogen 3.112 N/A VAL 87.A N GLN 83.A O no hydrogen 3.168 N/A ARG 88.A N ALA 84.A O no hydrogen 3.152 N/A ARG 88.A NE ASP 89.A OD2 no hydrogen 3.021 N/A ARG 88.A NH1 ASP 89.A OD2 no hydrogen 3.063 N/A ARG 88.A NH2 GLU 118.A OE1 no hydrogen 2.660 N/A ASP 89.A N GLU 85.A O no hydrogen 3.140 N/A TRP 90.A N PHE 86.A O no hydrogen 2.771 N/A PHE 91.A N VAL 87.A O no hydrogen 2.757 N/A ARG 92.A N ARG 88.A O no hydrogen 2.818 N/A ALA 93.A N ASP 89.A O no hydrogen 2.943 N/A CYS 94.A N TRP 90.A O no hydrogen 2.924 N/A CYS 94.A SG TRP 90.A O no hydrogen 3.448 N/A LYS 95.A N PHE 91.A O no hydrogen 2.872 N/A LYS 95.A NZ ILE 99.A O no hydrogen 2.904 N/A LYS 95.A NZ ASP 124.A OD1 no hydrogen 2.833 N/A LYS 96.A N ARG 92.A O no hydrogen 3.361 N/A LYS 96.A NZ ALA 93.A O no hydrogen 2.457 N/A GLU 97.A N CYS 94.A O no hydrogen 2.909 N/A GLY 98.A N LYS 95.A O no hydrogen 3.262 N/A ILE 99.A N CYS 94.A O no hydrogen 2.994 N/A THR 101.A N ASP 124.A OD1 no hydrogen 3.215 N/A THR 101.A OG1 VAL 122.A O no hydrogen 2.793 N/A THR 101.A OG1 ASP 124.A OD1 no hydrogen 3.514 N/A CYS 102.A N VAL 73.A O no hydrogen 2.975 N/A CYS 102.A SG LEU 125.A O no hydrogen 3.558 N/A LEU 103.A N LEU 125.A O no hydrogen 2.713 N/A ASP 104.A N ALA 75.A O no hydrogen 2.825 N/A THR 105.A N MET 127.A O no hydrogen 2.857 N/A THR 105.A OG1 GLU 79.A OE1 no hydrogen 3.070 N/A THR 105.A OG1 GLU 79.A OE2 no hydrogen 2.434 N/A ASN 106.A N GLU 79.A OE1 no hydrogen 2.837 N/A ASN 106.A ND2 GLY 78.A O no hydrogen 3.614 N/A ASN 106.A ND2 GLU 79.A OE1 no hydrogen 3.184 N/A GLY 107.A N THR 105.A OG1 no hydrogen 2.669 N/A VAL 109.A N GLY 107.A O no hydrogen 2.746 N/A ILE 116.A N ASP 113.A O no hydrogen 3.161 N/A GLU 118.A N PRO 114.A O no hydrogen 3.003 N/A LEU 119.A N VAL 115.A O no hydrogen 2.749 N/A LEU 120.A N ILE 116.A O no hydrogen 2.891 N/A GLU 121.A N ASP 117.A O no hydrogen 3.092 N/A GLU 121.A N GLU 118.A O no hydrogen 3.234 N/A VAL 122.A N LEU 119.A O no hydrogen 3.142 N/A THR 123.A N LEU 120.A O no hydrogen 3.038 N/A THR 123.A OG1 LEU 119.A O no hydrogen 2.729 N/A ASP 124.A N THR 101.A OG1 no hydrogen 2.906 N/A LEU 125.A N THR 101.A O no hydrogen 2.908 N/A VAL 126.A N LYS 162.A O no hydrogen 3.154 N/A MET 127.A N LEU 103.A O no hydrogen 2.795 N/A LEU 128.A N TRP 164.A O no hydrogen 2.859 N/A ASP 129.A N THR 105.A O no hydrogen 2.956 N/A LEU 130.A N ARG 166.A O no hydrogen 2.934 N/A GLN 132.A NE2 TRP 173.A O no hydrogen 2.632 N/A GLN 132.A NE2 SER 179.A OG no hydrogen 3.421 N/A ASN 134.A N GLN 132.A OE1 no hydrogen 2.862 N/A HIS 138.A N ASN 134.A O no hydrogen 2.915 N/A HIS 138.A ND1 VAL 144.A O no hydrogen 2.745 N/A GLN 139.A N ASP 135.A O no hydrogen 2.833 N/A LEU 141.A N ILE 137.A O no hydrogen 2.791 N/A LEU 141.A N HIS 138.A O no hydrogen 3.139 N/A VAL 142.A N HIS 138.A O no hydrogen 2.752 N/A GLY 143.A N GLN 139.A O no hydrogen 2.841 N/A SER 145.A OG ASP 135.A OD1 no hydrogen 2.955 N/A SER 145.A OG ASP 135.A OD2 no hydrogen 2.803 N/A SER 145.A OG HIS 147.A ND1 no hydrogen 2.793 N/A ASN 146.A N ASP 135.A OD1 no hydrogen 2.746 N/A ASN 146.A ND2 GLN 132.A O no hydrogen 2.723 N/A ASN 146.A ND2 MET 133.A O no hydrogen 3.216 N/A HIS 147.A N SER 145.A OG no hydrogen 3.193 N/A HIS 147.A ND1 SER 145.A OG no hydrogen 2.793 N/A ARG 148.A NH1 VAL 109.A O no hydrogen 3.174 N/A THR 149.A OG1 ASN 106.A O no hydrogen 2.725 N/A LEU 150.A N ASN 146.A O no hydrogen 2.769 N/A GLU 151.A N HIS 147.A O no hydrogen 2.918 N/A PHE 152.A N ARG 148.A O no hydrogen 2.835 N/A ALA 153.A N THR 149.A O no hydrogen 2.877 N/A LYS 154.A N LEU 150.A O no hydrogen 3.124 N/A TYR 155.A N GLU 151.A O no hydrogen 2.774 N/A TYR 155.A OH ASP 117.A OD1 no hydrogen 2.394 N/A LEU 156.A N PHE 152.A O no hydrogen 2.862 N/A ALA 157.A N ALA 153.A O no hydrogen 3.099 N/A ASN 158.A N LYS 154.A O no hydrogen 3.092 N/A LYS 159.A N LEU 156.A O no hydrogen 3.222 N/A LYS 159.A NZ TYR 155.A O no hydrogen 3.209 N/A ASN 160.A N ALA 157.A O no hydrogen 2.830 N/A VAL 161.A N LEU 156.A O no hydrogen 3.159 N/A VAL 163.A N ASN 192.A O no hydrogen 3.149 N/A TRP 164.A N VAL 126.A O no hydrogen 2.959 N/A ILE 165.A N LYS 195.A O no hydrogen 2.876 N/A ARG 166.A N LEU 128.A O no hydrogen 2.867 N/A ARG 166.A NH1 ASP 104.A OD1 no hydrogen 2.696 N/A ARG 166.A NH2 ASP 104.A OD1 no hydrogen 3.049 N/A ARG 166.A NH2 ASP 104.A OD2 no hydrogen 2.623 N/A ARG 166.A NH2 ASP 129.A OD2 no hydrogen 3.171 N/A TYR 167.A N GLU 197.A O no hydrogen 3.016 N/A TYR 167.A OH SER 174.A O no hydrogen 3.182 N/A VAL 169.A N LEU 199.A O no hydrogen 2.728 N/A VAL 170.A N SER 174.A OG no hydrogen 2.567 N/A GLY 172.A N ASP 175.A OD1 no hydrogen 2.382 N/A TRP 173.A N VAL 170.A O no hydrogen 2.908 N/A SER 174.A N VAL 170.A O no hydrogen 2.771 N/A SER 174.A OG VAL 168.A O no hydrogen 2.652 N/A ASP 178.A N ASP 176.A OD2 no hydrogen 2.454 N/A HIS 181.A N ASP 177.A O no hydrogen 3.212 N/A HIS 181.A ND1 TYR 239.A OH no hydrogen 3.017 N/A ARG 182.A N ASP 178.A O no hydrogen 3.319 N/A ARG 182.A NH2 ASN 134.A OD1 no hydrogen 2.927 N/A LEU 183.A N SER 179.A O no hydrogen 2.970 N/A GLY 184.A N ALA 180.A O no hydrogen 2.770 N/A GLU 185.A N HIS 181.A O no hydrogen 2.767 N/A PHE 186.A N ARG 182.A O no hydrogen 2.896 N/A THR 187.A N LEU 183.A O no hydrogen 2.982 N/A THR 187.A OG1 LEU 183.A O no hydrogen 2.682 N/A THR 187.A OG1 GLY 184.A O no hydrogen 3.175 N/A THR 187.A OG1 HIS 241.A NE2 no hydrogen 3.112 N/A ARG 188.A N GLY 184.A O no hydrogen 2.988 N/A ASP 189.A N GLU 185.A O no hydrogen 2.953 N/A MET 190.A N PHE 186.A O no hydrogen 3.085 N/A GLY 191.A N THR 187.A O no hydrogen 3.486 N/A ASN 192.A ND2 VAL 161.A O no hydrogen 2.960 N/A GLU 194.A N VAL 163.A O no hydrogen 2.778 N/A ILE 196.A N LYS 242.A O no hydrogen 2.864 N/A GLU 197.A N ILE 165.A O no hydrogen 2.767 N/A LEU 199.A N TYR 167.A O no hydrogen 3.013 N/A TYR 201.A N VAL 169.A O no hydrogen 2.611 N/A LYS 208.A N GLY 205.A O no hydrogen 3.077 N/A LYS 208.A NZ HIS 207.A NE2 no hydrogen 3.434 N/A TRP 209.A N LYS 206.A O no hydrogen 3.299 N/A VAL 210.A N LYS 206.A O no hydrogen 3.315 N/A ALA 211.A N HIS 207.A O no hydrogen 3.172 N/A MET 212.A N LYS 208.A O no hydrogen 3.342 N/A GLY 213.A N VAL 210.A O no hydrogen 2.847 N/A GLU 214.A N TRP 209.A O no hydrogen 2.815 N/A VAL 221.A N LEU 218.A O no hydrogen 3.030 N/A MET 229.A N LYS 225.A O no hydrogen 2.992 N/A GLU 230.A N LYS 226.A O no hydrogen 3.321 N/A ARG 231.A N GLU 227.A O no hydrogen 2.877 N/A ARG 231.A NE ARG 231.A O no hydrogen 3.120 N/A VAL 232.A N THR 228.A O no hydrogen 3.083 N/A LYS 233.A N MET 229.A O no hydrogen 3.054 N/A LYS 233.A NZ PHE 245.A OXT no hydrogen 2.952 N/A GLY 234.A N GLU 230.A O no hydrogen 2.892 N/A ILE 235.A N ARG 231.A O no hydrogen 2.911 N/A LEU 236.A N VAL 232.A O no hydrogen 2.819 N/A GLU 237.A N LYS 233.A O no hydrogen 3.010 N/A GLN 238.A N ILE 235.A O no hydrogen 3.202 N/A TYR 239.A N LEU 236.A O no hydrogen 3.002 N/A TYR 239.A OH HIS 181.A ND1 no hydrogen 3.017 N/A GLY 240.A N GLU 237.A O no hydrogen 3.044 N/A HIS 241.A NE2 GLY 184.A O no hydrogen 3.034 N/A MET 244.A N ILE 196.A O no hydrogen 3.036 N/A