Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kn9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N PHE 1.A O no hydrogen 2.785 N/A ARG 4.A NH1 ARG 4.A O no hydrogen 2.783 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.835 N/A PHE 6.A N PRO 2.A O no hydrogen 3.046 N/A GLN 7.A N ALA 3.A O no hydrogen 2.942 N/A GLN 7.A NE2 ILE 170.A O no hydrogen 2.779 N/A ARG 8.A N ARG 4.A O no hydrogen 3.119 N/A ARG 8.A NE ASP 9.A OD1 no hydrogen 3.190 N/A ARG 8.A NH2 ASP 9.A OD1 no hydrogen 3.368 N/A ARG 8.A NH2 ASP 9.A OD2 no hydrogen 3.346 N/A ASP 9.A N GLU 5.A O no hydrogen 2.998 N/A LEU 10.A N PHE 6.A O no hydrogen 2.831 N/A LEU 11.A N GLN 7.A O no hydrogen 2.743 N/A ASP 12.A N ARG 8.A O no hydrogen 2.754 N/A TRP 13.A N ASP 9.A O no hydrogen 3.166 N/A PHE 14.A N LEU 10.A O no hydrogen 2.890 N/A ALA 15.A N LEU 11.A O no hydrogen 2.879 N/A GLU 17.A N TRP 13.A O no hydrogen 2.996 N/A ARG 18.A N PHE 14.A O no hydrogen 2.884 N/A ARG 18.A NH2 GLU 181.A OE1 no hydrogen 3.191 N/A ARG 18.A NH2 GLU 181.A OE2 no hydrogen 3.015 N/A ARG 19.A N GLU 185.A OE2 no hydrogen 3.110 N/A ARG 19.A NE GLU 185.A OE2 no hydrogen 2.907 N/A ARG 19.A NH2 GLU 185.A OE1 no hydrogen 3.033 N/A ARG 24.A N LEU 21.A O no hydrogen 2.922 N/A ARG 24.A NH1 ARG 19.A O no hydrogen 2.910 N/A ARG 24.A NH1 GLU 185.A OE1 no hydrogen 3.252 N/A ARG 24.A NH1 GLU 185.A OE2 no hydrogen 2.975 N/A ARG 24.A NH2 GLU 185.A OE1 no hydrogen 2.693 N/A LYS 25.A N PRO 22.A O no hydrogen 3.122 N/A ARG 27.A NE ASP 26.A O no hydrogen 3.016 N/A ARG 27.A NH2 ASP 26.A O no hydrogen 3.205 N/A ASP 28.A N ASP 26.A OD1 no hydrogen 3.030 N/A TYR 30.A N ASP 28.A OD1 no hydrogen 2.927 N/A TYR 30.A OH PHE 58.A O no hydrogen 2.667 N/A LYS 31.A NZ ASP 26.A OD2 no hydrogen 2.840 N/A LYS 31.A NZ ASP 28.A OD2 no hydrogen 3.155 N/A VAL 32.A N ASP 28.A O no hydrogen 2.847 N/A TRP 33.A N PRO 29.A O no hydrogen 2.847 N/A VAL 34.A N TYR 30.A O no hydrogen 3.017 N/A SER 35.A N LYS 31.A O no hydrogen 3.025 N/A SER 35.A OG LYS 31.A O no hydrogen 3.388 N/A SER 35.A OG VAL 32.A O no hydrogen 2.583 N/A GLU 36.A N VAL 32.A O no hydrogen 2.931 N/A VAL 37.A N TRP 33.A O no hydrogen 3.077 N/A MET 38.A N VAL 34.A O no hydrogen 3.033 N/A LEU 39.A N SER 35.A O no hydrogen 2.866 N/A GLN 40.A N GLU 36.A O no hydrogen 3.108 N/A GLN 40.A NE2 THR 120.A OG1 no hydrogen 3.046 N/A GLN 41.A NE2 GLY 80.A O no hydrogen 3.511 N/A ARG 43.A NE GLU 45.A OE1 no hydrogen 3.004 N/A ARG 43.A NH2 GLU 45.A OE2 no hydrogen 3.298 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.747 N/A VAL 47.A N ARG 43.A O no hydrogen 3.067 N/A ILE 48.A N TYR 44.A O no hydrogen 3.111 N/A TYR 50.A OH GLU 77.A O no hydrogen 3.279 N/A PHE 51.A N VAL 47.A O no hydrogen 2.765 N/A GLU 52.A N ILE 48.A O no hydrogen 3.179 N/A GLN 53.A N PRO 49.A O no hydrogen 3.125 N/A PHE 54.A N TYR 50.A O no hydrogen 2.817 N/A ILE 55.A N PHE 51.A O no hydrogen 3.037 N/A ASP 56.A N GLU 52.A O no hydrogen 3.061 N/A ARG 57.A N GLN 53.A O no hydrogen 2.922 N/A PHE 58.A N PHE 54.A O no hydrogen 2.667 N/A ALA 63.A N THR 60.A OG1 no hydrogen 3.069 N/A LEU 64.A N THR 60.A O no hydrogen 3.171 N/A ALA 65.A N LEU 61.A O no hydrogen 2.833 N/A ASP 66.A N GLU 62.A O no hydrogen 2.826 N/A ALA 67.A N ALA 63.A O no hydrogen 3.215 N/A ALA 67.A N LEU 64.A O no hydrogen 3.061 N/A GLU 71.A N ASP 68.A O no hydrogen 3.093 N/A VAL 72.A N ASP 68.A O no hydrogen 3.208 N/A LEU 73.A N GLU 69.A O no hydrogen 2.803 N/A LYS 74.A N ASP 70.A O no hydrogen 3.116 N/A ALA 75.A N GLU 71.A O no hydrogen 3.057 N/A TRP 76.A N VAL 72.A O no hydrogen 3.070 N/A TRP 76.A N LEU 73.A O no hydrogen 3.206 N/A TRP 76.A NE1 GLY 80.A O no hydrogen 2.735 N/A GLU 77.A N LYS 74.A O no hydrogen 3.263 N/A LEU 79.A N TRP 76.A O no hydrogen 2.896 N/A ARG 84.A N.A TYR 81.A O no hydrogen 2.953 N/A ARG 84.A N.B TYR 81.A O no hydrogen 2.951 N/A ARG 84.A NE.B GLN 41.A OE1 no hydrogen 2.854 N/A ARG 84.A NH1.B GLN 40.A OE1 no hydrogen 2.871 N/A ARG 84.A NH2.B GLN 41.A OE1 no hydrogen 2.686 N/A VAL 85.A N TYR 82.A O no hydrogen 3.100 N/A ARG 86.A N TYR 82.A O no hydrogen 3.089 N/A ASN 87.A N SER 83.A O no hydrogen 3.078 N/A LEU 88.A N ARG 84.A O.A no hydrogen 2.931 N/A LEU 88.A N ARG 84.A O.B no hydrogen 3.051 N/A HIS 89.A N VAL 85.A O no hydrogen 2.773 N/A ALA 90.A N ARG 86.A O no hydrogen 2.912 N/A ALA 91.A N ASN 87.A O no hydrogen 2.881 N/A VAL 92.A N.A LEU 88.A O no hydrogen 2.872 N/A VAL 92.A N.B LEU 88.A O no hydrogen 2.909 N/A LYS 93.A N HIS 89.A O no hydrogen 3.015 N/A LYS 93.A NZ ALA 65.A O no hydrogen 2.735 N/A GLU 94.A N ALA 90.A O no hydrogen 3.068 N/A VAL 95.A N ALA 91.A O no hydrogen 2.885 N/A LYS 96.A N VAL 92.A O.A no hydrogen 2.970 N/A LYS 96.A N VAL 92.A O.B no hydrogen 3.007 N/A LYS 96.A NZ ASP 66.A OD1 no hydrogen 2.390 N/A THR 97.A N LYS 93.A O no hydrogen 3.016 N/A THR 97.A OG1 LYS 93.A O no hydrogen 3.350 N/A THR 97.A OG1 GLU 94.A O no hydrogen 3.397 N/A ARG 98.A N GLU 94.A O no hydrogen 2.739 N/A ARG 98.A NH1 ARG 98.A O no hydrogen 3.327 N/A TYR 99.A N VAL 95.A O no hydrogen 2.874 N/A TYR 99.A OH GLU 109.A OE1 no hydrogen 2.628 N/A GLY 101.A N VAL 95.A O no hydrogen 2.942 N/A LYS 102.A N TYR 99.A O no hydrogen 3.174 N/A GLU 109.A N ASP 106.A OD2 no hydrogen 2.971 N/A PHE 110.A N ASP 106.A O no hydrogen 2.898 N/A SER 111.A N PRO 107.A O no hydrogen 2.894 N/A ARG 112.A N GLU 109.A O no hydrogen 3.046 N/A LEU 113.A N PHE 110.A O no hydrogen 3.273 N/A VAL 116.A N LEU 113.A O no hydrogen 3.081 N/A TYR 119.A OH GLU 36.A OE2 no hydrogen 2.714 N/A VAL 121.A N GLY 117.A O no hydrogen 2.913 N/A GLY 122.A N PRO 118.A O no hydrogen 3.144 N/A ALA 123.A N TYR 119.A O no hydrogen 2.839 N/A VAL 124.A N THR 120.A O no hydrogen 2.965 N/A LEU 125.A N VAL 121.A O no hydrogen 2.961 N/A SER 126.A N GLY 122.A O no hydrogen 2.999 N/A SER 126.A OG GLY 122.A O no hydrogen 2.679 N/A LEU 127.A N ALA 123.A O no hydrogen 2.945 N/A ALA 128.A N VAL 124.A O no hydrogen 2.830 N/A TYR 129.A N LEU 125.A O no hydrogen 3.023 N/A TYR 129.A OH VAL 103.A O no hydrogen 2.529 N/A GLY 130.A N SER 126.A O no hydrogen 3.060 N/A VAL 131.A N LEU 125.A O no hydrogen 3.004 N/A GLU 133.A N VAL 131.A O no hydrogen 2.719 N/A ASN 139.A ND2 ILE 184.A O no hydrogen 2.931 N/A VAL 140.A N ASN 137.A OD1 no hydrogen 3.048 N/A MET 141.A N ASN 137.A O no hydrogen 2.895 N/A ARG 142.A N GLY 138.A O no hydrogen 2.885 N/A ARG 142.A NE CYS 191.A O no hydrogen 2.737 N/A ARG 142.A NH2 ASN 139.A OD1 no hydrogen 3.163 N/A ARG 142.A NH2 GLY 187.A O no hydrogen 2.752 N/A VAL 143.A N ASN 139.A O no hydrogen 2.916 N/A LEU 144.A N VAL 140.A O no hydrogen 2.778 N/A SER 145.A N MET 141.A O no hydrogen 2.876 N/A SER 145.A OG MET 141.A O no hydrogen 3.165 N/A SER 145.A OG ARG 142.A O no hydrogen 2.904 N/A ARG 146.A N ARG 142.A O no hydrogen 3.146 N/A ARG 146.A NE ALA 215.A O no hydrogen 2.898 N/A ARG 146.A NE LEU 218.A O no hydrogen 3.321 N/A ARG 146.A NH1 THR 192.A O no hydrogen 2.866 N/A ARG 146.A NH2 THR 192.A O no hydrogen 3.210 N/A ARG 146.A NH2 PRO 193.A O no hydrogen 2.990 N/A ARG 146.A NH2 ALA 215.A O no hydrogen 3.228 N/A ARG 146.A NH2 LEU 218.A O no hydrogen 3.085 N/A LEU 147.A N VAL 143.A O no hydrogen 2.937 N/A PHE 148.A N LEU 144.A O no hydrogen 2.972 N/A LEU 149.A N ARG 146.A O no hydrogen 3.368 N/A VAL 150.A N SER 145.A O no hydrogen 2.890 N/A ILE 154.A N VAL 220.A O no hydrogen 2.974 N/A ALA 155.A N ASP 153.A OD1 no hydrogen 3.157 N/A LYS 156.A N ASP 153.A O no hydrogen 3.209 N/A THR 159.A OG1 ASP 153.A O no hydrogen 2.563 N/A ARG 160.A N LYS 156.A O no hydrogen 3.092 N/A ARG 160.A NE ILE 154.A O no hydrogen 2.928 N/A LYS 161.A N CYS 157.A O no hydrogen 2.829 N/A ARG 162.A N SER 158.A O no hydrogen 3.104 N/A PHE 163.A N THR 159.A O no hydrogen 3.071 N/A GLU 164.A N ARG 160.A O no hydrogen 2.925 N/A GLN 165.A N LYS 161.A O no hydrogen 2.995 N/A GLN 165.A NE2 GLU 169.A OE2 no hydrogen 3.240 N/A ILE 166.A N ARG 162.A O no hydrogen 2.994 N/A VAL 167.A N PHE 163.A O no hydrogen 2.995 N/A ARG 168.A N GLU 164.A O no hydrogen 2.847 N/A ARG 168.A NH1 GLU 133.A OE2 no hydrogen 3.097 N/A ARG 168.A NH2 GLU 133.A OE1 no hydrogen 2.874 N/A GLU 169.A N GLN 165.A O no hydrogen 2.882 N/A ILE 170.A N ILE 166.A O no hydrogen 2.877 N/A MET 171.A N VAL 167.A O no hydrogen 2.746 N/A TYR 173.A OH ARG 168.A O no hydrogen 2.650 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.569 N/A ASN 175.A N ALA 172.A O no hydrogen 3.077 N/A ALA 178.A N ASN 175.A OD1 no hydrogen 3.048 N/A PHE 179.A N ASN 175.A O no hydrogen 3.095 N/A ASN 180.A N PRO 176.A O no hydrogen 2.982 N/A ASN 180.A ND2 SER 126.A OG no hydrogen 2.878 N/A ASN 180.A ND2 GLU 133.A O no hydrogen 2.894 N/A GLU 181.A N GLY 177.A O no hydrogen 3.023 N/A ALA 182.A N ALA 178.A O no hydrogen 2.915 N/A LEU 183.A N PHE 179.A O no hydrogen 3.141 N/A ILE 184.A N ASN 180.A O no hydrogen 3.162 N/A GLU 185.A N GLU 181.A O no hydrogen 2.827 N/A LEU 186.A N ALA 182.A O no hydrogen 2.816 N/A GLY 187.A N LEU 183.A O no hydrogen 3.149 N/A ALA 188.A N ILE 184.A O no hydrogen 2.989 N/A ALA 188.A N GLU 185.A O no hydrogen 3.102 N/A LEU 189.A N GLU 185.A O no hydrogen 2.926 N/A LEU 189.A N LEU 186.A O no hydrogen 3.300 N/A VAL 190.A N LEU 186.A O no hydrogen 2.830 N/A CYS 191.A N LEU 186.A O no hydrogen 2.730 N/A THR 192.A OG1 ARG 194.A O no hydrogen 2.921 N/A ARG 195.A N GLU 216.A OE1 no hydrogen 2.930 N/A SER 197.A N VAL 190.A O no hydrogen 2.770 N/A CYS 198.A SG PRO 196.A O no hydrogen 3.779 N/A LEU 200.A N SER 197.A O no hydrogen 3.005 N/A CYS 201.A N CYS 198.A O no hydrogen 3.172 N/A GLN 204.A N CYS 201.A O no hydrogen 3.370 N/A GLN 204.A NE2 CYS 198.A O no hydrogen 2.909 N/A TYR 206.A N VAL 203.A O no hydrogen 3.025 N/A TYR 206.A OH ASP 9.A OD2 no hydrogen 2.608 N/A CYS 207.A N GLN 204.A O no hydrogen 3.038 N/A CYS 207.A SG ARG 146.A O no hydrogen 3.557 N/A GLN 208.A N LEU 147.A O no hydrogen 2.923 N/A ALA 209.A N ARG 146.A O no hydrogen 2.857 N/A ALA 211.A N CYS 207.A O no hydrogen 3.175 N/A GLU 212.A N GLN 208.A O no hydrogen 2.888 N/A GLY 213.A N PHE 210.A O no hydrogen 3.021 N/A VAL 214.A N ALA 209.A O no hydrogen 2.939 N/A GLU 217.A N VAL 214.A O no hydrogen 2.967 N/A LEU 218.A N ALA 215.A O no hydrogen 3.023 N/A