Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3so3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N HIS 138.A O no hydrogen 2.897 N/A VAL 1.A N ASP 190.A OD1 no hydrogen 3.539 N/A VAL 1.A N ASP 190.A OD2 no hydrogen 2.642 N/A VAL 2.A N ASP 185.A O no hydrogen 2.752 N/A THR 5.A N LYS 151.A O no hydrogen 2.965 N/A ALA 7.A N LEU 149.A O no hydrogen 2.668 N/A ASP 8.A N GLU 11.A OE1 no hydrogen 2.874 N/A GLU 11.A N ASP 8.A O no hydrogen 3.113 N/A TRP 14.A NE1 SER 196.A OG no hydrogen 3.071 N/A GLN 15.A N TRP 12.A O no hydrogen 2.937 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.167 N/A VAL 16.A N ALA 29.A O no hydrogen 2.832 N/A SER 17.A N PHE 61.A O no hydrogen 3.027 N/A SER 17.A OG HIS 19.A NE2 no hydrogen 3.058 N/A SER 17.A OG HIS 25.A ND1 no hydrogen 2.722 N/A LEU 18.A N CYS 27.A O no hydrogen 2.839 N/A HIS 19.A N THR 59.A O no hydrogen 2.814 N/A ALA 20.A N GLY 24.A O no hydrogen 3.331 N/A LEU 21.A N GLN 57.A O no hydrogen 2.845 N/A GLN 23.A N ALA 20.A O no hydrogen 2.839 N/A GLN 23.A NE2 LEU 21.A O no hydrogen 3.535 N/A HIS 25.A ND1 SER 17.A OG no hydrogen 2.722 N/A HIS 25.A NE2 GLY 189.A O no hydrogen 2.811 N/A ILE 26.A N LEU 18.A O no hydrogen 2.817 N/A CYS 27.A N LEU 18.A O no hydrogen 3.432 N/A CYS 27.A SG.A TYR 44.A OH no hydrogen 3.275 N/A GLY 28.A N SER 191.A O no hydrogen 2.795 N/A ALA 29.A N VAL 16.A O no hydrogen 3.078 N/A SER 30.A N VAL 38.A O no hydrogen 2.830 N/A SER 30.A OG VAL 38.A O no hydrogen 3.549 N/A SER 30.A OG GLN 205.A OE1 no hydrogen 2.591 N/A LEU 31.A N TRP 14.A O no hydrogen 2.933 N/A ILE 32.A N TRP 36.A O no hydrogen 3.074 N/A ASN 35.A N SER 33.A OG no hydrogen 3.127 N/A TRP 36.A N SER 33.A OG no hydrogen 3.048 N/A LEU 37.A N LEU 101.A O no hydrogen 2.769 N/A VAL 38.A N SER 30.A O no hydrogen 2.836 N/A SER 39.A N ALA 99.A O no hydrogen 3.001 N/A SER 39.A OG GLY 28.A O no hydrogen 2.824 N/A SER 39.A OG TYR 44.A OH no hydrogen 2.706 N/A HIS 42.A N ASP 97.A OD1 no hydrogen 2.831 N/A HIS 42.A ND1 ASP 97.A OD2 no hydrogen 2.706 N/A CYS 43.A N ALA 40.A O no hydrogen 3.260 N/A TYR 44.A N ALA 41.A O no hydrogen 3.104 N/A TYR 44.A OH SER 39.A OG no hydrogen 2.706 N/A THR 56.A N ASP 54I.A OD1 no hydrogen 2.906 N/A THR 56.A OG1 ASP 54I.A OD1 no hydrogen 2.665 N/A THR 56.A OG1 ASP 54I.A OD2 no hydrogen 2.907 N/A GLN 57.A N ASP 54I.A O no hydrogen 3.052 N/A GLN 57.A NE2 THR 56.A OG1 no hydrogen 3.209 N/A TRP 58.A N PRO 55.A O no hydrogen 3.290 N/A TRP 58.A NE1 TYR 52G.A O no hydrogen 2.825 N/A THR 59.A N HIS 19.A O no hydrogen 2.786 N/A ALA 60.A N ARG 78.A O no hydrogen 2.721 N/A PHE 61.A N SER 17.A O no hydrogen 2.779 N/A LEU 62.A N GLN 76.A O no hydrogen 2.831 N/A HIS 65.A NE2 ALA 7.A O no hydrogen 2.898 N/A GLN 67.A N LEU 147.A O no hydrogen 2.761 N/A GLN 67.A NE2 SER 17.A OG no hydrogen 3.107 N/A SER 68.A N ASP 66.A OD1 no hydrogen 2.876 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 2.848 N/A SER 68.A OG ASP 66.A OD2 no hydrogen 3.453 N/A GLN 69.A N ASP 66.A O no hydrogen 2.806 N/A VAL 75.A N ALA 72A.A O no hydrogen 3.113 N/A GLN 76.A N LEU 62.A O no hydrogen 2.826 N/A GLN 76.A NE2 GLU 108.A O no hydrogen 2.753 N/A ARG 78.A N ALA 60.A O no hydrogen 2.898 N/A ARG 78.A NE LYS 105.A O no hydrogen 3.116 N/A ARG 78.A NE PRO 106.A O no hydrogen 2.984 N/A ARG 78.A NH1 GLU 77.A O no hydrogen 3.083 N/A ARG 78.A NH2 PRO 106.A O no hydrogen 2.828 N/A ARG 78.A NH2 GLU 108.A OE2 no hydrogen 3.553 N/A ARG 79.A NH1 THR 56.A O no hydrogen 2.928 N/A ARG 79.A NH2 THR 56.A O no hydrogen 2.804 N/A LYS 81.A N GLU 102.A O no hydrogen 2.740 N/A LYS 81.A NZ GLU 104.A O no hydrogen 3.391 N/A ARG 82.A NE GLU 102.A OE1 no hydrogen 2.779 N/A ARG 82.A NH2 GLU 102.A OE1 no hydrogen 3.513 N/A ILE 84.A N LEU 100.A O no hydrogen 2.670 N/A HIS 86.A N ILE 98.A O no hydrogen 2.941 N/A PHE 88.A N HIS 86.A ND1 no hydrogen 2.981 N/A PHE 89.A N HIS 86.A O no hydrogen 2.816 N/A ASN 90.A N ASP 95.A O no hydrogen 3.093 N/A THR 93.A N ASN 90.A OD1 no hydrogen 2.940 N/A PHE 94.A N ASN 90.A O no hydrogen 2.776 N/A ASP 95.A N THR 93.A OG1 no hydrogen 3.129 N/A ILE 98.A N TYR 96.A O no hydrogen 2.959 N/A ALA 99.A N SER 39.A O no hydrogen 2.896 N/A LEU 100.A N ILE 84.A O no hydrogen 2.750 N/A LEU 101.A N LEU 37.A O no hydrogen 2.844 N/A GLU 102.A N ARG 82.A O no hydrogen 2.872 N/A LEU 103.A N ASN 35.A O no hydrogen 2.789 N/A GLU 104.A N ARG 79.A O no hydrogen 2.915 N/A ALA 107.A N PRO 34.A O no hydrogen 2.669 N/A GLU 108.A N GLN 76.A OE1 no hydrogen 2.888 N/A SER 110.A N VAL 113.A O no hydrogen 2.901 N/A MET 112.A N SER 110.A OG no hydrogen 3.056 N/A ARG 114.A N PRO 13.A O no hydrogen 3.118 N/A ARG 114.A NE SER 110.A O no hydrogen 3.071 N/A ILE 116.A N LEU 31.A O no hydrogen 2.917 N/A SER 117.A OG ILE 203.A O no hydrogen 3.351 N/A HIS 123.A N ASP 120.A O no hydrogen 2.813 N/A GLY 128.A N VAL 156.A O no hydrogen 2.727 N/A LYS 129.A N PRO 126.A O no hydrogen 3.088 N/A LYS 129.A NZ ALA 130.A O no hydrogen 3.030 N/A LYS 129.A NZ VAL 198.A O no hydrogen 2.965 N/A ILE 131.A N ILE 154.A O no hydrogen 2.736 N/A TRP 132.A N SER 196.A O no hydrogen 2.880 N/A VAL 133.A N GLY 152.A O no hydrogen 2.821 N/A THR 134.A OG1 GLN 15.A OE1 no hydrogen 2.634 N/A GLY 135.A N GLN 150.A O no hydrogen 3.007 N/A TRP 136.A NE1 HIS 65.A O no hydrogen 3.136 N/A GLY 137.A N ASP 190.A OD1 no hydrogen 2.661 N/A HIS 138.A N GLN 188.A O no hydrogen 2.797 N/A THR 139.A N THR 144.A O no hydrogen 3.377 N/A GLY 143.A N GLN 140.A O no hydrogen 2.833 N/A ALA 146.A N TRP 136.A O no hydrogen 3.162 N/A ALA 146.A N GLY 137.A O no hydrogen 3.191 N/A LEU 149.A N HIS 65.A O no hydrogen 2.865 N/A GLN 150.A N GLY 135.A O no hydrogen 3.098 N/A GLN 150.A NE2 ASP 6.A OD1 no hydrogen 2.824 N/A GLN 150.A NE2 ILE 148.A O no hydrogen 2.980 N/A LYS 151.A N THR 5.A O no hydrogen 2.893 N/A LYS 151.A NZ GLU 11.A OE1 no hydrogen 2.996 N/A LYS 151.A NZ GLU 11.A OE2 no hydrogen 2.806 N/A GLY 152.A N VAL 133.A O no hydrogen 2.865 N/A ILE 154.A N ILE 131.A O no hydrogen 2.755 N/A ARG 155.A N GLY 178.A O no hydrogen 3.321 N/A ARG 155.A NH1 GLY 128.A O no hydrogen 2.839 N/A VAL 156.A N LYS 129.A O no hydrogen 3.108 N/A ILE 157.A N CYS 176.A O no hydrogen 2.937 N/A GLN 159.A NE2 MET 174.A O no hydrogen 2.872 N/A THR 161.A N ASN 158.A OD1 no hydrogen 3.131 N/A CYS 162.A N ASN 158.A O no hydrogen 2.898 N/A GLU 163.A N GLN 159.A O no hydrogen 2.845 N/A ASN 164.A N THR 160.A O no hydrogen 3.032 N/A LEU 165.A N THR 161.A O no hydrogen 2.854 N/A LEU 166.A N CYS 162.A O no hydrogen 3.095 N/A GLN 169.A N LEU 166.A O no hydrogen 3.176 N/A THR 171.A OG1 ASP 95.A OD1 no hydrogen 2.687 N/A ARG 173.A N THR 171.A OG1 no hydrogen 3.246 N/A ARG 173.A NE ASP 95.A OD1 no hydrogen 2.946 N/A ARG 173.A NH2 ASP 95.A OD2 no hydrogen 2.964 N/A MET 174.A N THR 171.A O no hydrogen 2.967 N/A MET 175.A N TYR 224.A O no hydrogen 2.825 N/A VAL 177.A N GLY 222.A O no hydrogen 3.122 N/A GLY 178.A N ARG 155.A O no hydrogen 2.867 N/A GLY 183.A N ALA 216.A O no hydrogen 3.047 N/A VAL 184.A N GLY 182A.A O no hydrogen 2.952 N/A ASP 185.A N VAL 2.A O no hydrogen 3.067 N/A SER 186.A OG TYR 224.A OH no hydrogen 3.220 N/A CYS 187.A N ASP 190.A OD2 no hydrogen 2.970 N/A ASP 190.A N CYS 187.A O no hydrogen 2.965 N/A SER 191.A OG HIS 42.A NE2 no hydrogen 3.414 N/A GLY 192.A N VAL 209.A O no hydrogen 2.900 N/A GLY 193.A N ASP 190.A O no hydrogen 2.983 N/A LEU 195.A N GLY 207.A O no hydrogen 3.047 N/A SER 196.A N TRP 132.A O no hydrogen 2.834 N/A SER 197.A N PHE 204.A O no hydrogen 2.870 N/A SER 197.A OG GLU 199.A OE2 no hydrogen 2.880 N/A GLU 199.A N ARG 202.A O no hydrogen 2.911 N/A GLY 201.A N GLU 199.A O no hydrogen 3.173 N/A ARG 202.A N ASP 200A.A OD2 no hydrogen 3.044 N/A ARG 202.A NE ASP 200A.A OD2 no hydrogen 3.169 N/A PHE 204.A N SER 197.A O no hydrogen 2.958 N/A GLN 205.A N SER 117.A O no hydrogen 2.999 N/A GLN 205.A NE2 GLY 207.A O no hydrogen 2.866 N/A ALA 206.A N LEU 195.A O no hydrogen 2.844 N/A VAL 208.A N THR 225.A O no hydrogen 2.905 N/A VAL 209.A N GLY 193.A O no hydrogen 2.922 N/A SER 210.A N VAL 223.A O no hydrogen 3.183 N/A SER 210.A OG ASP 97.A OD2 no hydrogen 2.615 N/A TRP 211.A N VAL 223.A O no hydrogen 3.164 N/A ALA 216.A N ASP 185.A OD2 no hydrogen 2.852 N/A ASN 219.A N LEU 180.A O no hydrogen 2.673 N/A LYS 220.A N GLN 217A.A O no hydrogen 3.150 N/A LYS 220.A NZ GLN 217A.A OE1 no hydrogen 3.566 N/A GLY 222.A N ASP 185.A OD1 no hydrogen 2.906 N/A VAL 223.A N TRP 211.A O no hydrogen 2.803 N/A TYR 224.A N MET 175.A O no hydrogen 2.866 N/A THR 225.A N VAL 208.A O no hydrogen 2.919 N/A THR 225.A OG1 ASP 97.A O no hydrogen 2.665 N/A ARG 226.A N ARG 173.A O no hydrogen 2.813 N/A ARG 226.A NE MET 174.A O no hydrogen 3.055 N/A ARG 226.A NH2 GLN 159.A OE1 no hydrogen 2.986 N/A PHE 230.A N LEU 227.A O no hydrogen 2.885 N/A ARG 231.A N PRO 228.A O no hydrogen 3.093 N/A ARG 231.A NH1 ARG 231.A O no hydrogen 3.098 N/A ARG 231.A NH1 VAL 240.A O no hydrogen 2.917 N/A ARG 231.A NH2 VAL 240.A OXT no hydrogen 2.848 N/A ILE 234.A N PHE 230.A O no hydrogen 2.862 N/A LYS 235.A N ARG 231.A O no hydrogen 2.992 N/A LYS 235.A NZ GLY 239.A O no hydrogen 3.053 N/A LYS 235.A NZ VAL 240.A OXT no hydrogen 3.351 N/A GLU 236.A N ASP 232.A O no hydrogen 2.850 N/A ASN 237.A N TRP 233.A O no hydrogen 3.132 N/A ASN 237.A ND2 TRP 233.A O no hydrogen 2.711 N/A THR 238.A N ILE 234.A O no hydrogen 2.893 N/A THR 238.A OG1 ILE 234.A O no hydrogen 2.618 N/A GLY 239.A N LYS 235.A O no hydrogen 2.838 N/A VAL 240.A N THR 238.A OG1 no hydrogen 2.942 N/A ALA 72A.A N GLN 69.A O no hydrogen 3.391 N/A GLY 182A.A N PHE 179A.A O no hydrogen 2.991 N/A ASP 47B.A N PHE 50E.A O no hydrogen 3.048 N/A PHE 50E.A N ASP 47B.A O no hydrogen 3.024 N/A ARG 51F.A NH2 ASP 54I.A OD2 no hydrogen 2.673 N/A TYR 52G.A N PHE 50E.A O no hydrogen 3.024 N/A TYR 52G.A OH GLN 23.A OE1 no hydrogen 2.631 N/A SER 53H.A N ASP 46A.A OD1 no hydrogen 2.946 N/A SER 53H.A OG ASP 46A.A OD1 no hydrogen 2.429 N/A SER 53H.A OG ASP 46A.A OD2 no hydrogen 3.353 N/A ASP 54I.A N ARG 51F.A O no hydrogen 2.942 N/A