Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a8p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N LEU 37.A O no hydrogen 2.708 N/A LYS 4.A NZ ASP 96.A OD1 no hydrogen 3.201 N/A GLY 6.A N VAL 35.A O no hydrogen 2.866 N/A LEU 8.A N TYR 33.A O no hydrogen 2.904 N/A PHE 9.A N GLN 90.A O no hydrogen 3.301 N/A PHE 10.A N LYS 31.A O no hydrogen 2.676 N/A LYS 11.A N LEU 88.A O no hydrogen 2.996 N/A LEU 13.A N VAL 86.A O no hydrogen 2.979 N/A VAL 14.A N VAL 86.A O no hydrogen 3.201 N/A THR 15.A N GLU 23.A O no hydrogen 3.035 N/A THR 15.A OG1 ASP 85.A OD1 no hydrogen 3.147 N/A GLN 17.A N LYS 21.A O no hydrogen 3.013 N/A LYS 21.A NZ GLU 19.A OE1 no hydrogen 3.335 N/A GLU 23.A N THR 15.A O no hydrogen 3.031 N/A VAL 25.A N LEU 13.A O no hydrogen 3.010 N/A ARG 27.A NH2 ARG 27.A O no hydrogen 3.275 N/A ARG 28.A NH1 VAL 25.A O no hydrogen 3.238 N/A LYS 31.A N PHE 10.A O no hydrogen 3.011 N/A TYR 33.A N LEU 8.A O no hydrogen 2.869 N/A TRP 34.A N TYR 45.A O no hydrogen 2.798 N/A VAL 35.A N GLY 6.A O no hydrogen 2.922 N/A THR 36.A N LEU 43.A O no hydrogen 3.005 N/A LEU 37.A N LYS 4.A O no hydrogen 2.787 N/A LYS 38.A N THR 41.A O no hydrogen 3.006 N/A THR 41.A N LYS 38.A O no hydrogen 2.956 N/A LEU 42.A N LEU 57.A O no hydrogen 2.760 N/A LEU 43.A N THR 36.A O no hydrogen 2.887 N/A PHE 44.A N CYS 55.A O no hydrogen 2.883 N/A TYR 45.A N TRP 34.A O no hydrogen 2.852 N/A ARG 54.A N PHE 44.A O no hydrogen 2.738 N/A LEU 57.A N LEU 42.A O no hydrogen 2.724 N/A ALA 59.A N CYS 40.A O no hydrogen 2.800 N/A SER 62.A N ALA 59.A O no hydrogen 3.035 N/A SER 62.A OG ALA 59.A O no hydrogen 2.652 N/A ILE 63.A N SER 80.A O no hydrogen 3.073 N/A VAL 64.A N HIS 105.A NE2 no hydrogen 2.880 N/A GLN 65.A N CYS 78.A O no hydrogen 2.835 N/A VAL 67.A N VAL 76.A O no hydrogen 2.800 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.503 N/A HIS 70.A N VAL 67.A O no hydrogen 3.205 N/A LYS 72.A N HIS 70.A ND1 no hydrogen 3.298 N/A LYS 73.A N HIS 70.A ND1 no hydrogen 3.091 N/A PHE 77.A N PHE 89.A O no hydrogen 2.785 N/A CYS 78.A N GLN 65.A O no hydrogen 2.549 N/A CYS 78.A SG TYR 87.A O no hydrogen 3.322 N/A CYS 78.A SG SER 222.A OG no hydrogen 3.263 N/A LEU 79.A N TYR 87.A O no hydrogen 2.872 N/A SER 80.A N ILE 63.A O no hydrogen 3.065 N/A SER 80.A OG HIS 225.A ND1 no hydrogen 2.802 N/A ASN 81.A N ASP 85.A O no hydrogen 3.012 N/A ASN 81.A ND2 ASP 85.A OD2 no hydrogen 3.149 N/A SER 82.A OG GLU 60.A O no hydrogen 3.453 N/A CYS 83.A N ASN 81.A OD1 no hydrogen 2.714 N/A ASP 85.A N ASN 81.A OD1 no hydrogen 2.984 N/A VAL 86.A N VAL 14.A O no hydrogen 2.962 N/A TYR 87.A N LEU 79.A O no hydrogen 2.707 N/A LEU 88.A N LYS 11.A O no hydrogen 2.794 N/A PHE 89.A N PHE 77.A O no hydrogen 2.857 N/A GLN 90.A N PHE 9.A O no hydrogen 2.928 N/A GLN 90.A NE2 GLU 74.A O no hydrogen 2.979 N/A ALA 91.A N HIS 75.A O no hydrogen 2.816 N/A THR 92.A N ASP 96.A OD2 no hydrogen 3.044 N/A GLN 94.A NE2 GLU 98.A OE2 no hydrogen 2.683 N/A ASP 96.A N SER 93.A OG no hydrogen 2.956 N/A LEU 97.A N SER 93.A O no hydrogen 2.903 N/A GLU 98.A N GLN 94.A O no hydrogen 3.006 N/A ASN 99.A N THR 95.A O no hydrogen 2.934 N/A TRP 100.A N ASP 96.A O no hydrogen 2.979 N/A VAL 101.A N LEU 97.A O no hydrogen 2.970 N/A THR 102.A N GLU 98.A O no hydrogen 2.960 N/A THR 102.A OG1 GLU 98.A O no hydrogen 2.889 N/A ALA 103.A N ASN 99.A O no hydrogen 2.918 N/A ILE 104.A N TRP 100.A O no hydrogen 2.883 N/A HIS 105.A N VAL 101.A O no hydrogen 3.018 N/A HIS 105.A ND1 SER 189.A OG no hydrogen 3.174 N/A SER 106.A N THR 102.A O no hydrogen 2.861 N/A SER 106.A OG THR 102.A O no hydrogen 2.751 N/A ALA 107.A N ALA 103.A O no hydrogen 2.976 N/A CYS 108.A N ILE 104.A O no hydrogen 3.028 N/A CYS 108.A SG ALA 59.A O no hydrogen 3.201 N/A CYS 108.A SG ILE 104.A O no hydrogen 3.181 N/A ALA 109.A N HIS 105.A O no hydrogen 2.866 N/A SER 110.A N SER 106.A O no hydrogen 2.962 N/A LEU 111.A N ALA 107.A O no hydrogen 2.896 N/A PHE 112.A N CYS 108.A O no hydrogen 2.863 N/A ALA 113.A N ALA 109.A O no hydrogen 2.918 N/A LYS 114.A N SER 110.A O no hydrogen 2.921 N/A LYS 115.A N LEU 111.A O no hydrogen 2.839 N/A LYS 115.A NZ GLU 60.A OE2 no hydrogen 3.457 N/A HIS 116.A N PHE 112.A O no hydrogen 3.196 N/A HIS 116.A ND1 PHE 112.A O no hydrogen 2.942 N/A GLY 117.A N LYS 114.A O no hydrogen 3.117 N/A LYS 118.A N ALA 113.A O no hydrogen 2.954 N/A ARG 123.A N ASP 120.A OD1 no hydrogen 3.384 N/A LEU 124.A N ASP 120.A O no hydrogen 3.163 N/A LEU 125.A N THR 121.A O no hydrogen 2.929 N/A LYS 126.A N VAL 122.A O no hydrogen 2.973 N/A SER 127.A N ARG 123.A O no hydrogen 2.911 N/A GLN 128.A N LEU 124.A O no hydrogen 2.858 N/A THR 129.A N LEU 125.A O no hydrogen 2.980 N/A THR 129.A OG1 LYS 126.A O no hydrogen 2.716 N/A ARG 130.A N LYS 126.A O no hydrogen 3.131 N/A ARG 130.A NE LYS 126.A O no hydrogen 3.191 N/A SER 131.A N SER 127.A O no hydrogen 3.096 N/A LEU 132.A N GLN 128.A O no hydrogen 2.829 N/A LEU 133.A N THR 129.A O no hydrogen 2.996 N/A GLN 134.A N ARG 130.A O no hydrogen 3.104 N/A LYS 135.A N SER 131.A O no hydrogen 2.971 N/A ILE 136.A N LEU 132.A O no hydrogen 2.941 N/A ASP 137.A N LEU 133.A O no hydrogen 3.199 N/A MET 138.A N GLN 134.A O no hydrogen 2.897 N/A ASP 139.A N LYS 135.A O no hydrogen 2.871 N/A SER 140.A N ILE 136.A O no hydrogen 2.904 N/A SER 140.A OG ILE 136.A O no hydrogen 2.601 N/A LYS 141.A N ASP 137.A O no hydrogen 3.198 N/A LYS 141.A NZ ASP 137.A OD1 no hydrogen 3.325 N/A MET 142.A N MET 138.A O no hydrogen 3.026 N/A LYS 143.A N ASP 139.A O no hydrogen 3.010 N/A LYS 143.A NZ GLU 147.A OE2 no hydrogen 3.002 N/A LYS 144.A N SER 140.A O no hydrogen 3.147 N/A MET 145.A N LYS 141.A O no hydrogen 3.004 N/A ALA 146.A N MET 142.A O no hydrogen 2.945 N/A GLU 147.A N LYS 143.A O no hydrogen 3.081 N/A LEU 148.A N LYS 144.A O no hydrogen 2.930 N/A GLN 149.A N MET 145.A O no hydrogen 2.947 N/A GLN 149.A NE2 MET 145.A O no hydrogen 3.400 N/A LEU 150.A N ALA 146.A O no hydrogen 2.878 N/A SER 151.A N GLU 147.A O no hydrogen 3.046 N/A SER 151.A N LEU 148.A O no hydrogen 3.303 N/A SER 151.A OG LEU 148.A O no hydrogen 2.565 N/A VAL 153.A N LEU 150.A O no hydrogen 3.028 N/A ARG 159.A N ASP 155.A O no hydrogen 2.889 N/A ARG 159.A NE VAL 153.A O no hydrogen 2.726 N/A ARG 159.A NH2 VAL 153.A O no hydrogen 3.384 N/A LYS 160.A N PRO 156.A O no hydrogen 3.224 N/A ALA 161.A N LYS 157.A O no hydrogen 3.002 N/A ILE 162.A N ASN 158.A O no hydrogen 3.337 N/A ILE 162.A N ARG 159.A O no hydrogen 3.037 N/A GLU 163.A N ARG 159.A O no hydrogen 3.041 N/A ASN 164.A N LYS 160.A O no hydrogen 2.779 N/A GLN 165.A N ALA 161.A O no hydrogen 3.386 N/A ILE 166.A N ILE 162.A O no hydrogen 2.864 N/A ARG 167.A N GLU 163.A O no hydrogen 2.847 N/A GLN 168.A N ASN 164.A O no hydrogen 3.152 N/A GLN 168.A NE2 GLN 168.A O no hydrogen 3.379 N/A GLN 168.A NE2 ASN 172.A OD1 no hydrogen 2.814 N/A TRP 169.A N GLN 165.A O no hydrogen 2.996 N/A GLU 170.A N ILE 166.A O no hydrogen 2.930 N/A GLN 171.A N ARG 167.A O no hydrogen 2.855 N/A ASN 172.A N GLN 168.A O no hydrogen 2.788 N/A LEU 173.A N TRP 169.A O no hydrogen 3.045 N/A GLU 174.A N GLU 170.A O no hydrogen 3.190 N/A LYS 175.A N GLN 171.A O no hydrogen 3.101 N/A LYS 175.A NZ ASP 179.A OD2 no hydrogen 3.072 N/A PHE 176.A N ASN 172.A O no hydrogen 2.957 N/A HIS 177.A N LEU 173.A O no hydrogen 2.982 N/A MET 178.A N GLU 174.A O no hydrogen 2.817 N/A ASP 179.A N LYS 175.A O no hydrogen 2.786 N/A LEU 180.A N PHE 176.A O no hydrogen 2.826 N/A PHE 181.A N HIS 177.A O no hydrogen 2.995 N/A ARG 182.A N MET 178.A O no hydrogen 2.967 N/A ARG 182.A NH1 ASP 61.A OD1 no hydrogen 2.761 N/A ARG 182.A NH1 TYR 186.A OH no hydrogen 3.262 N/A MET 183.A N ASP 179.A O no hydrogen 2.833 N/A ARG 184.A N LEU 180.A O no hydrogen 3.020 N/A CYS 185.A N PHE 181.A O no hydrogen 2.917 N/A CYS 185.A SG PHE 181.A O no hydrogen 3.384 N/A TYR 186.A N ARG 182.A O no hydrogen 3.035 N/A TYR 186.A OH SER 62.A O no hydrogen 2.719 N/A LEU 187.A N MET 183.A O no hydrogen 2.991 N/A ALA 188.A N ARG 184.A O no hydrogen 2.844 N/A SER 189.A N CYS 185.A O no hydrogen 2.967 N/A SER 189.A OG HIS 105.A ND1 no hydrogen 3.174 N/A SER 189.A OG CYS 185.A O no hydrogen 3.447 N/A LEU 190.A N TYR 186.A O no hydrogen 2.958 N/A GLN 191.A N LEU 187.A O no hydrogen 3.001 N/A GLY 193.A N ALA 188.A O no hydrogen 2.959 N/A LYS 199.A N ASN 197.A OD1 no hydrogen 2.824 N/A SER 200.A N ASN 197.A O no hydrogen 3.108 N/A LEU 201.A N PRO 198.A O no hydrogen 2.980 N/A LEU 202.A N PRO 198.A O no hydrogen 3.046 N/A ALA 203.A N LYS 199.A O no hydrogen 3.245 N/A ALA 204.A N LEU 201.A O no hydrogen 2.912 N/A THR 205.A N LEU 202.A O no hydrogen 3.263 N/A THR 205.A OG1 LEU 202.A O no hydrogen 3.036 N/A SER 206.A N GLU 174.A OE2 no hydrogen 2.882 N/A SER 206.A OG GLU 170.A OE2 no hydrogen 3.407 N/A SER 206.A OG GLU 174.A OE2 no hydrogen 3.127 N/A SER 206.A OG SER 209.A OG no hydrogen 3.077 N/A SER 209.A N SER 206.A OG no hydrogen 3.043 N/A SER 209.A OG GLU 174.A OE1 no hydrogen 3.267 N/A SER 209.A OG GLU 174.A OE2 no hydrogen 2.657 N/A SER 209.A OG SER 206.A OG no hydrogen 3.077 N/A LYS 210.A N SER 206.A O no hydrogen 2.867 N/A LEU 211.A N ARG 207.A O no hydrogen 2.941 N/A ALA 212.A N PRO 208.A O no hydrogen 3.016 N/A LEU 213.A N SER 209.A O no hydrogen 2.865 N/A GLY 214.A N LYS 210.A O no hydrogen 2.760 N/A ARG 215.A N LEU 211.A O no hydrogen 2.898 N/A LEU 216.A N ALA 212.A O no hydrogen 2.982 N/A GLY 217.A N LEU 213.A O no hydrogen 3.002 N/A SER 220.A N SER 223.A OG no hydrogen 2.961 N/A SER 223.A OG VAL 218.A O no hydrogen 2.815 N/A SER 223.A OG SER 220.A O no hydrogen 3.199 N/A PHE 224.A N SER 220.A O no hydrogen 2.878 N/A HIS 225.A N VAL 221.A O no hydrogen 2.791 N/A HIS 225.A ND1 SER 80.A OG no hydrogen 2.802 N/A ALA 226.A N SER 222.A O no hydrogen 3.013 N/A LEU 227.A N SER 223.A O no hydrogen 2.829 N/A VAL 228.A N PHE 224.A O no hydrogen 2.953 N/A CYS 229.A N HIS 225.A O no hydrogen 2.920 N/A CYS 229.A SG ASN 81.A O no hydrogen 3.546 N/A CYS 229.A SG HIS 225.A O no hydrogen 3.333 N/A SER 230.A N ALA 226.A O no hydrogen 2.973 N/A SER 230.A OG LEU 227.A O no hydrogen 2.590 N/A ARG 231.A N VAL 228.A O no hydrogen 3.272 N/A ARG 231.A NH1 GLU 174.A OE1 no hydrogen 2.600 N/A ARG 231.A NH2 SER 209.A OG no hydrogen 2.833 N/A ASP 232.A N CYS 229.A O no hydrogen 2.853 N/A