Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mdn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG VAL 61.A O no hydrogen 3.600 N/A TRP 3.A N SER 184.A OG no hydrogen 2.793 N/A TRP 3.A NE1 SER 146.A OG no hydrogen 3.266 N/A ALA 4.A N SER 59.A O no hydrogen 2.802 N/A ALA 5.A N VAL 182.A O no hydrogen 2.744 N/A TYR 6.A N PHE 57.A O no hydrogen 2.891 N/A TYR 6.A OH THR 9.A O no hydrogen 2.670 N/A HIS 7.A N TRP 180.A O no hydrogen 2.998 N/A HIS 7.A NE2 GLN 153.A O no hydrogen 2.892 N/A GLY 8.A N GLY 55.A O no hydrogen 2.906 N/A THR 9.A N GLN 178.A O no hydrogen 3.036 N/A THR 9.A OG1 GLN 178.A O no hydrogen 2.905 N/A ILE 11.A N SER 54.A O no hydrogen 3.037 N/A LEU 13.A N VAL 52.A O no hydrogen 3.181 N/A GLU 14.A N ALA 49.A O no hydrogen 2.933 N/A ASP 15.A N PHE 12.A O no hydrogen 2.962 N/A VAL 16.A N LEU 13.A O no hydrogen 3.111 N/A ILE 17.A N LEU 13.A O no hydrogen 2.884 N/A PHE 19.A N ASP 35.A O no hydrogen 3.228 N/A VAL 21.A N TYR 33.A O no hydrogen 2.749 N/A ALA 22.A N LEU 58.A O no hydrogen 2.820 N/A TRP 23.A N GLY 31.A O no hydrogen 2.995 N/A TYR 24.A N LEU 56.A O no hydrogen 2.926 N/A TYR 24.A OH ARG 69.A O no hydrogen 2.741 N/A GLY 31.A N TRP 23.A O no hydrogen 2.839 N/A TYR 33.A N VAL 21.A O no hydrogen 2.851 N/A TYR 33.A OH ASP 42.A OD2 no hydrogen 2.565 N/A ARG 34.A NH1 CYS 62.A O no hydrogen 3.032 N/A ARG 34.A NH1 PRO 64.A O no hydrogen 3.487 N/A ASP 35.A N PHE 19.A O no hydrogen 3.162 N/A VAL 36.A N ASP 35.A OD1 no hydrogen 3.088 N/A SER 41.A N PRO 38.A O no hydrogen 2.641 N/A ASN 44.A N ASP 42.A OD1 no hydrogen 2.817 N/A LEU 45.A N ASP 42.A OD1 no hydrogen 3.111 N/A ARG 46.A N ASP 42.A O no hydrogen 3.183 N/A ALA 47.A N PRO 43.A O no hydrogen 2.966 N/A VAL 48.A N ASN 44.A O no hydrogen 2.857 N/A ALA 49.A N LEU 45.A O no hydrogen 2.847 N/A HIS 50.A N ARG 46.A O no hydrogen 2.936 N/A HIS 50.A ND1 GLU 14.A OE2 no hydrogen 2.738 N/A HIS 51.A N VAL 48.A O no hydrogen 3.213 N/A VAL 52.A N VAL 48.A O no hydrogen 2.846 N/A SER 54.A N ILE 11.A O no hydrogen 2.915 N/A SER 54.A OG TYR 24.A O no hydrogen 2.650 N/A SER 54.A OG LEU 56.A O no hydrogen 3.154 N/A LEU 56.A N SER 54.A OG no hydrogen 3.150 N/A PHE 57.A N TYR 6.A O no hydrogen 3.141 N/A LEU 58.A N ALA 22.A O no hydrogen 2.805 N/A SER 59.A N ALA 4.A O no hydrogen 2.674 N/A SER 59.A OG ALA 4.A O no hydrogen 3.299 N/A HIS 60.A N GLY 20.A O no hydrogen 3.022 N/A VAL 61.A N ARG 2.A O no hydrogen 2.857 N/A CYS 62.A SG ASP 35.A O no hydrogen 3.732 N/A HIS 63.A NE2 SER 104.A OG no hydrogen 2.843 N/A PHE 65.A N PHE 72.A O no hydrogen 2.794 N/A ALA 67.A N TRP 70.A O no hydrogen 2.926 N/A ARG 68.A NE TYR 97.A OH no hydrogen 3.447 N/A ARG 68.A NH1 GLU 93.A OE2 no hydrogen 3.170 N/A ARG 68.A NH1 GLU 117.A OE2 no hydrogen 3.311 N/A ARG 68.A NH2 GLU 93.A OE2 no hydrogen 2.935 N/A TRP 70.A N ALA 67.A O no hydrogen 3.010 N/A CYS 71.A N SER 150.A O no hydrogen 3.086 N/A CYS 71.A SG TYR 24.A OH no hydrogen 3.358 N/A PHE 72.A N PHE 65.A O no hydrogen 2.912 N/A ASN 74.A N SER 146.A O no hydrogen 2.862 N/A GLN 76.A N ARG 144.A O no hydrogen 3.083 N/A VAL 77.A N ASP 103.A OD2 no hydrogen 3.106 N/A GLY 78.A N HIS 143.A O no hydrogen 3.250 N/A PHE 80.A N VAL 77.A O no hydrogen 3.263 N/A ALA 82.A N GLY 79.A O no hydrogen 2.914 N/A PHE 83.A N PHE 80.A O no hydrogen 2.893 N/A GLN 86.A N GLN 86.A OE1 no hydrogen 2.819 N/A ALA 87.A N PHE 83.A O no hydrogen 3.152 N/A ASP 88.A N ARG 84.A O no hydrogen 2.879 N/A ILE 90.A N ASP 88.A O no hydrogen 3.073 N/A ALA 91.A N SER 113.A OG no hydrogen 2.979 N/A PHE 94.A N ALA 91.A O no hydrogen 2.953 N/A TYR 95.A N ASP 92.A O no hydrogen 3.371 N/A TYR 97.A N PHE 94.A O no hydrogen 3.082 N/A ARG 98.A N TYR 95.A O no hydrogen 2.938 N/A ARG 98.A NE ASP 88.A OD1 no hydrogen 3.140 N/A ARG 98.A NH1 THR 102.A O no hydrogen 2.929 N/A ARG 98.A NH1 GLU 105.A OE1 no hydrogen 2.882 N/A ARG 98.A NH2 ASP 88.A OD1 no hydrogen 2.945 N/A ARG 98.A NH2 THR 102.A O no hydrogen 3.413 N/A LYS 99.A N GLU 105.A OE2 no hydrogen 2.943 N/A GLY 100.A N GLU 105.A OE1 no hydrogen 2.924 N/A SER 104.A OG HIS 63.A NE2 no hydrogen 2.843 N/A GLU 105.A N THR 102.A OG1 no hydrogen 3.050 N/A LEU 107.A N ASP 103.A O no hydrogen 2.994 N/A PHE 108.A N SER 104.A O no hydrogen 3.192 N/A LEU 109.A N GLU 105.A O no hydrogen 3.026 N/A LEU 110.A N VAL 106.A O no hydrogen 2.704 N/A ALA 111.A N LEU 107.A O no hydrogen 2.820 N/A LEU 112.A N PHE 108.A O no hydrogen 2.962 N/A SER 113.A N LEU 109.A O no hydrogen 2.970 N/A SER 113.A OG LEU 109.A O no hydrogen 2.759 N/A GLU 114.A N LEU 110.A O no hydrogen 2.902 N/A GLU 114.A N ALA 111.A O no hydrogen 2.984 N/A GLY 115.A N LEU 112.A O no hydrogen 3.055 N/A LEU 116.A N ALA 111.A O no hydrogen 3.024 N/A HIS 118.A N GLY 115.A O no hydrogen 3.157 N/A ASP 119.A N GLY 115.A O no hydrogen 2.879 N/A HIS 121.A NE2 ASP 211.A O no hydrogen 2.896 N/A GLY 122.A N ASP 119.A OD1 no hydrogen 3.135 N/A ALA 123.A N ASP 119.A O no hydrogen 2.844 N/A LEU 124.A N PRO 120.A O no hydrogen 3.054 N/A ALA 125.A N HIS 121.A O no hydrogen 3.098 N/A ARG 126.A N GLY 122.A O no hydrogen 2.928 N/A ARG 126.A NE GLU 114.A OE1 no hydrogen 3.183 N/A ARG 126.A NH1 GLU 114.A O no hydrogen 2.837 N/A ARG 126.A NH1 ASP 119.A OD2 no hydrogen 3.486 N/A ALA 127.A N ALA 123.A O no hydrogen 2.854 N/A ILE 128.A N LEU 124.A O no hydrogen 2.875 N/A ALA 129.A N ALA 125.A O no hydrogen 3.089 N/A ARG 130.A N ARG 126.A O no hydrogen 3.097 N/A ARG 130.A NH1 GLU 114.A OE2 no hydrogen 2.960 N/A LEU 131.A N ALA 127.A O no hydrogen 3.134 N/A GLU 132.A N ILE 128.A O no hydrogen 2.780 N/A GLY 133.A N ALA 129.A O no hydrogen 2.888 N/A LEU 134.A N ARG 130.A O no hydrogen 2.819 N/A SER 135.A N LEU 131.A O no hydrogen 2.780 N/A SER 135.A OG GLY 78.A O no hydrogen 2.872 N/A SER 135.A OG HIS 143.A ND1 no hydrogen 2.815 N/A SER 135.A OG HIS 143.A O no hydrogen 3.487 N/A ARG 136.A N GLU 132.A O no hydrogen 2.753 N/A ARG 136.A NH2 GLU 132.A OE2 no hydrogen 2.440 N/A ALA 137.A N GLY 133.A O no hydrogen 3.052 N/A HIS 138.A N LEU 134.A O no hydrogen 2.881 N/A GLY 139.A N SER 135.A O no hydrogen 2.737 N/A THR 140.A N GLY 78.A O no hydrogen 3.340 N/A HIS 143.A ND1 SER 135.A OG no hydrogen 2.815 N/A ARG 144.A NE ASP 163.A OD1 no hydrogen 3.444 N/A ARG 144.A NE ASP 163.A OD2 no hydrogen 2.982 N/A ARG 144.A NH2 ASP 163.A OD1 no hydrogen 2.779 N/A LEU 145.A N TYR 160.A O no hydrogen 2.895 N/A SER 146.A N ASN 74.A O no hydrogen 3.027 N/A ALA 147.A N ALA 158.A O no hydrogen 3.038 N/A PHE 149.A N TYR 156.A O no hydrogen 3.068 N/A SER 150.A N CYS 71.A O no hydrogen 3.097 N/A SER 150.A OG THR 154.A O no hydrogen 2.668 N/A GLY 152.A N SER 150.A OG no hydrogen 2.876 N/A GLN 153.A N ASP 151.A OD1 no hydrogen 2.944 N/A GLN 153.A NE2 GLY 152.A O no hydrogen 3.004 N/A THR 154.A N ASP 151.A OD1 no hydrogen 2.867 N/A LEU 155.A N ILE 202.A O no hydrogen 2.826 N/A TYR 156.A N PHE 149.A O no hydrogen 2.917 N/A ALA 157.A N LEU 200.A O no hydrogen 2.781 N/A ALA 158.A N ALA 147.A O no hydrogen 3.023 N/A ARG 159.A N ARG 199.A O no hydrogen 2.976 N/A ARG 159.A NE PRO 167.A O no hydrogen 3.051 N/A ARG 159.A NH1 ALA 166.A O no hydrogen 2.906 N/A ARG 159.A NH2 GLU 194.A OE2 no hydrogen 2.679 N/A ARG 159.A NH2 LEU 195.A O no hydrogen 2.763 N/A TYR 160.A N LEU 145.A O no hydrogen 2.935 N/A TYR 160.A OH GLU 132.A OE1 no hydrogen 2.647 N/A SER 161.A OG ASP 163.A O no hydrogen 3.200 N/A SER 161.A OG ASP 163.A OD2 no hydrogen 2.827 N/A SER 161.A OG ILE 165.A O no hydrogen 2.720 N/A ASP 163.A N SER 161.A OG no hydrogen 2.971 N/A HIS 164.A N HIS 164.A ND1 no hydrogen 2.844 N/A ILE 165.A N ASP 163.A OD2 no hydrogen 2.979 N/A SER 168.A OG SER 184.A O no hydrogen 2.558 N/A TYR 170.A N VAL 183.A O no hydrogen 2.857 N/A TYR 171.A N THR 193.A O no hydrogen 2.726 N/A TYR 171.A OH GLU 209.A OE2 no hydrogen 2.568 N/A ARG 172.A N ALA 181.A O no hydrogen 2.937 N/A SER 174.A N GLY 179.A O no hydrogen 2.812 N/A ARG 177.A N SER 174.A OG no hydrogen 2.835 N/A GLN 178.A N SER 174.A O no hydrogen 2.638 N/A GLY 179.A N SER 174.A O no hydrogen 3.312 N/A TRP 180.A N HIS 7.A O no hydrogen 2.804 N/A ALA 181.A N ARG 172.A O no hydrogen 2.819 N/A VAL 182.A N ALA 5.A O no hydrogen 2.943 N/A VAL 183.A N TYR 170.A O no hydrogen 2.871 N/A SER 184.A N TRP 3.A O no hydrogen 3.015 N/A THR 193.A N TYR 171.A O no hydrogen 2.702 N/A LEU 195.A N VAL 169.A O no hydrogen 2.751 N/A GLY 198.A N ARG 159.A O no hydrogen 2.795 N/A ARG 199.A N ARG 159.A O no hydrogen 3.334 N/A ARG 199.A NE GLU 209.A OE1 no hydrogen 3.168 N/A ARG 199.A NH1 ASP 211.A OD1 no hydrogen 2.625 N/A ARG 199.A NH2 GLU 209.A OE1 no hydrogen 3.169 N/A THR 201.A N ALA 208.A O no hydrogen 2.903 N/A ILE 202.A N LEU 155.A O no hydrogen 2.637 N/A GLY 203.A N GLY 206.A O no hydrogen 3.104 N/A GLY 206.A N GLY 203.A O no hydrogen 3.268 N/A ALA 208.A N THR 201.A O no hydrogen 2.985 N/A PHE 212.A N GLY 198.A O no hydrogen 2.845 N/A