Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ake_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N PHE 121.A O no hydrogen 3.062 N/A THR 6.A N HIS 138.A O no hydrogen 2.858 N/A ILE 7.A N ALA 123.A O no hydrogen 2.914 N/A ASP 8.A N PHE 140.A O no hydrogen 3.022 N/A GLY 9.A N GLY 125.A O no hydrogen 3.070 N/A SER 13.A N PRO 10.A O no hydrogen 3.147 N/A SER 13.A OG PRO 10.A O no hydrogen 2.783 N/A LYS 15.A NZ SER 16.A OG no hydrogen 3.110 N/A LYS 15.A NZ GLU 124.A OE1 no hydrogen 2.950 N/A SER 16.A OG GLU 124.A OE1 no hydrogen 3.342 N/A SER 16.A OG GLU 124.A OE2 no hydrogen 2.752 N/A SER 17.A OG GLY 14.A O no hydrogen 3.420 N/A VAL 18.A N GLY 14.A O no hydrogen 2.923 N/A ALA 19.A N LYS 15.A O no hydrogen 2.880 N/A ARG 20.A N SER 16.A O no hydrogen 2.915 N/A ARG 21.A N SER 17.A O no hydrogen 2.994 N/A ARG 21.A NH1 ASP 194.A OD1 no hydrogen 2.904 N/A ARG 21.A NH2 ASP 194.A OD1 no hydrogen 2.913 N/A VAL 22.A N VAL 18.A O no hydrogen 2.827 N/A ALA 23.A N ALA 19.A O no hydrogen 2.891 N/A ALA 24.A N ARG 20.A O no hydrogen 2.967 N/A ALA 25.A N ARG 21.A O no hydrogen 3.011 N/A LEU 26.A N VAL 22.A O no hydrogen 3.065 N/A LEU 26.A N ALA 23.A O no hydrogen 3.101 N/A GLY 27.A N ALA 24.A O no hydrogen 3.158 N/A VAL 28.A N ALA 23.A O no hydrogen 3.116 N/A LEU 31.A N VAL 122.A O no hydrogen 2.812 N/A SER 32.A OG GLU 124.A OE2 no hydrogen 2.827 N/A SER 33.A N GLU 124.A O no hydrogen 3.082 N/A SER 33.A OG GLU 124.A O no hydrogen 2.720 N/A LEU 35.A N SER 32.A O no hydrogen 3.074 N/A LEU 36.A N SER 33.A O no hydrogen 3.001 N/A TYR 37.A N SER 33.A O no hydrogen 3.318 N/A ARG 38.A N GLY 34.A O no hydrogen 2.834 N/A ARG 38.A NH1 LEU 88.A O no hydrogen 2.973 N/A ARG 38.A NH1 ASP 94.A OD1 no hydrogen 2.784 N/A ARG 38.A NH2 ASP 94.A OD1 no hydrogen 3.048 N/A ALA 39.A N LEU 35.A O no hydrogen 2.845 N/A ALA 40.A N LEU 36.A O no hydrogen 2.953 N/A ALA 41.A N TYR 37.A O no hydrogen 2.976 N/A PHE 42.A N ARG 38.A O no hydrogen 2.864 N/A LEU 43.A N ALA 39.A O no hydrogen 2.850 N/A ALA 44.A N ALA 40.A O no hydrogen 2.916 N/A LEU 45.A N ALA 41.A O no hydrogen 2.902 N/A ARG 46.A N PHE 42.A O no hydrogen 2.933 N/A ARG 46.A NH2 GLU 92.A OE2 no hydrogen 3.405 N/A ALA 47.A N LEU 43.A O no hydrogen 2.824 N/A GLY 48.A N LEU 45.A O no hydrogen 3.044 N/A GLY 52.A N ASP 50.A OD1 no hydrogen 2.785 N/A ASP 53.A N ASP 50.A O no hydrogen 2.968 N/A GLY 56.A N ASP 53.A OD1 no hydrogen 2.973 N/A LEU 57.A N ASP 53.A O no hydrogen 3.073 N/A LEU 58.A N GLU 54.A O no hydrogen 2.778 N/A ALA 59.A N GLU 55.A O no hydrogen 2.982 N/A LEU 60.A N GLY 56.A O no hydrogen 3.064 N/A LEU 61.A N LEU 57.A O no hydrogen 2.820 N/A GLU 62.A N LEU 58.A O no hydrogen 2.956 N/A GLY 63.A N ALA 59.A O no hydrogen 2.789 N/A LEU 64.A N LEU 60.A O no hydrogen 3.128 N/A GLY 65.A N GLU 62.A O no hydrogen 3.097 N/A VAL 66.A N LEU 61.A O no hydrogen 3.526 N/A ARG 67.A N LEU 78.A O no hydrogen 3.019 N/A LEU 69.A N ARG 76.A O no hydrogen 2.798 N/A GLY 74.A N GLN 71.A O no hydrogen 2.905 N/A ASN 75.A N TYR 30.A OH no hydrogen 3.125 N/A ASN 75.A ND2 TYR 30.A O no hydrogen 3.505 N/A ARG 76.A N LEU 69.A O no hydrogen 2.910 N/A ARG 76.A NH1 ASP 83.A OD2 no hydrogen 2.964 N/A VAL 77.A N THR 85.A OG1 no hydrogen 2.987 N/A LEU 78.A N ARG 67.A O no hydrogen 2.991 N/A ALA 79.A N GLU 82.A O no hydrogen 2.830 N/A ASP 80.A N LEU 64.A O no hydrogen 2.871 N/A GLU 82.A N ALA 79.A O no hydrogen 2.879 N/A LEU 84.A N VAL 77.A O no hydrogen 2.900 N/A THR 85.A N ASP 83.A OD1 no hydrogen 2.954 N/A THR 85.A OG1 ASP 83.A OD1 no hydrogen 2.589 N/A PHE 87.A N LEU 84.A O no hydrogen 2.896 N/A LEU 88.A N THR 85.A O no hydrogen 3.071 N/A THR 90.A OG1 PHE 87.A O no hydrogen 3.413 N/A ASP 94.A N THR 90.A O no hydrogen 2.962 N/A ARG 95.A N PRO 91.A O no hydrogen 3.004 N/A VAL 96.A N GLU 92.A O no hydrogen 3.260 N/A VAL 96.A N VAL 93.A O no hydrogen 3.255 N/A VAL 97.A N VAL 93.A O no hydrogen 2.982 N/A ALA 99.A N VAL 96.A O no hydrogen 2.936 N/A VAL 100.A N VAL 97.A O no hydrogen 3.100 N/A ALA 101.A N VAL 97.A O no hydrogen 2.848 N/A ARG 102.A N SER 98.A O no hydrogen 3.268 N/A LEU 103.A N VAL 100.A O no hydrogen 3.025 N/A GLY 105.A N GLU 54.A OE2 no hydrogen 2.900 N/A ARG 107.A N LEU 103.A O no hydrogen 3.058 N/A ARG 107.A NH1 ASP 127.A OD1 no hydrogen 3.522 N/A ARG 107.A NH1 ASP 127.A OD2 no hydrogen 2.938 N/A ARG 107.A NH2 ALA 101.A O no hydrogen 2.937 N/A ALA 108.A N PRO 104.A O no hydrogen 2.896 N/A TRP 109.A N GLY 105.A O no hydrogen 3.042 N/A VAL 110.A N VAL 106.A O no hydrogen 2.941 N/A ASN 111.A N ARG 107.A O no hydrogen 2.866 N/A ARG 112.A N ALA 108.A O no hydrogen 2.877 N/A ARG 112.A NH2 GLU 62.A OE2 no hydrogen 3.153 N/A ARG 113.A N TRP 109.A O no hydrogen 3.190 N/A LEU 114.A N VAL 110.A O no hydrogen 3.068 N/A LYS 115.A N ASN 111.A O no hydrogen 2.830 N/A GLU 116.A N ARG 113.A O no hydrogen 3.414 N/A VAL 117.A N LEU 114.A O no hydrogen 3.260 N/A PHE 121.A N GLY 3.A O no hydrogen 3.313 N/A VAL 122.A N PRO 29.A O no hydrogen 2.831 N/A ALA 123.A N VAL 5.A O no hydrogen 2.823 N/A GLU 124.A N LEU 31.A O no hydrogen 2.919 N/A GLY 125.A N ILE 7.A O no hydrogen 3.211 N/A MET 128.A N ASP 8.A OD1 no hydrogen 2.760 N/A GLY 129.A N ASP 8.A OD2 no hydrogen 2.769 N/A THR 130.A N ASP 127.A O no hydrogen 3.384 N/A THR 130.A OG1 ASP 127.A O no hydrogen 3.417 N/A THR 130.A OG1 SER 177.A OG no hydrogen 2.918 N/A ALA 131.A N ASP 127.A O no hydrogen 2.887 N/A VAL 132.A N ASP 127.A O no hydrogen 3.266 N/A PHE 133.A N MET 128.A O no hydrogen 2.753 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.713 N/A ALA 136.A N PHE 133.A O no hydrogen 3.011 N/A HIS 138.A N ILE 4.A O no hydrogen 3.410 N/A LYS 139.A NZ PRO 134.A O no hydrogen 2.839 N/A LYS 139.A NZ ALA 136.A O no hydrogen 2.953 N/A LYS 139.A NZ ASP 182.A OD1 no hydrogen 3.557 N/A LYS 139.A NZ ASP 182.A OD2 no hydrogen 2.686 N/A PHE 140.A N THR 6.A O no hydrogen 2.853 N/A TYR 141.A N LEU 184.A O no hydrogen 2.868 N/A LEU 142.A N ASP 8.A O no hydrogen 2.781 N/A THR 143.A N LEU 186.A O no hydrogen 2.932 N/A THR 143.A OG1 LEU 186.A O no hydrogen 3.545 N/A THR 143.A OG1 ASP 187.A OD2 no hydrogen 2.711 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.824 N/A VAL 148.A N SER 145.A OG no hydrogen 3.181 N/A ARG 149.A N SER 145.A O no hydrogen 2.935 N/A ARG 149.A NE SER 11.A O no hydrogen 2.758 N/A ARG 149.A NH1 ASP 172.A OD1 no hydrogen 3.542 N/A ARG 149.A NH1 ASP 172.A OD2 no hydrogen 2.865 N/A ARG 149.A NH2 SER 11.A OG no hydrogen 2.831 N/A ARG 149.A NH2 ASP 172.A OD1 no hydrogen 3.032 N/A ALA 150.A N PRO 146.A O no hydrogen 2.829 N/A TRP 151.A N GLU 147.A O no hydrogen 3.012 N/A ARG 152.A N VAL 148.A O no hydrogen 3.018 N/A ARG 152.A NH1 ALA 12.A O no hydrogen 3.173 N/A ARG 152.A NH1 THR 188.A OG1 no hydrogen 3.044 N/A ARG 152.A NH2 THR 188.A O no hydrogen 2.928 N/A ARG 152.A NH2 THR 188.A OG1 no hydrogen 3.370 N/A ARG 153.A N ARG 149.A O no hydrogen 2.949 N/A ALA 154.A N ALA 150.A O no hydrogen 2.919 N/A ARG 155.A N TRP 151.A O no hydrogen 3.309 N/A ARG 155.A N ARG 152.A O no hydrogen 3.247 N/A GLU 156.A N ARG 153.A O no hydrogen 2.945 N/A ARG 157.A N ALA 154.A O no hydrogen 3.212 N/A ARG 157.A NE ASP 94.A OD2 no hydrogen 2.759 N/A ARG 157.A NH1 GLU 156.A O no hydrogen 2.888 N/A ARG 157.A NH2 ASP 94.A OD1 no hydrogen 2.950 N/A ARG 157.A NH2 ASP 94.A OD2 no hydrogen 3.324 N/A GLU 163.A N ALA 160.A O no hydrogen 2.994 N/A VAL 164.A N ALA 160.A O no hydrogen 2.894 N/A LEU 165.A N TYR 161.A O no hydrogen 2.815 N/A ARG 166.A N GLU 162.A O no hydrogen 3.467 N/A ASP 167.A N GLU 163.A O no hydrogen 2.950 N/A LEU 168.A N VAL 164.A O no hydrogen 2.783 N/A LEU 169.A N LEU 165.A O no hydrogen 2.857 N/A ARG 170.A N ARG 166.A O no hydrogen 3.070 N/A ARG 170.A NH1 ASP 167.A OD1 no hydrogen 2.993 N/A ARG 170.A NH2 ASP 167.A OD1 no hydrogen 2.777 N/A ARG 171.A N ASP 167.A O no hydrogen 2.886 N/A ASP 172.A N LEU 168.A O no hydrogen 2.787 N/A GLU 173.A N LEU 169.A O no hydrogen 3.156 N/A ARG 174.A N ARG 170.A O no hydrogen 3.025 N/A ASP 175.A N ASP 172.A O no hydrogen 3.196 N/A SER 177.A OG THR 130.A OG1 no hydrogen 2.918 N/A SER 177.A OG ALA 178.A O no hydrogen 3.035 N/A ASP 182.A N ASP 182.A OD1 no hydrogen 2.656 N/A ALA 183.A N ALA 180.A O no hydrogen 3.051 N/A LEU 184.A N LYS 139.A O no hydrogen 2.910 N/A LEU 186.A N TYR 141.A O no hydrogen 2.887 N/A THR 188.A N THR 143.A O no hydrogen 2.862 N/A THR 188.A OG1 SER 13.A O no hydrogen 3.090 N/A THR 188.A OG1 THR 143.A O no hydrogen 3.205 N/A GLY 189.A N ASP 187.A OD1 no hydrogen 2.782 N/A GLY 190.A N ASP 187.A O no hydrogen 3.177 N/A MET 191.A N ASP 187.A O no hydrogen 3.383 N/A THR 192.A N GLU 195.A OE1 no hydrogen 2.986 N/A GLU 195.A N THR 192.A OG1 no hydrogen 3.115 N/A VAL 196.A N THR 192.A O no hydrogen 2.841 N/A VAL 197.A N LEU 193.A O no hydrogen 2.871 N/A ALA 198.A N ASP 194.A O no hydrogen 3.145 N/A TRP 199.A N GLU 195.A O no hydrogen 2.925 N/A VAL 200.A N VAL 196.A O no hydrogen 2.822 N/A LEU 201.A N VAL 197.A O no hydrogen 2.920 N/A ALA 202.A N ALA 198.A O no hydrogen 2.921 N/A HIS 203.A N TRP 199.A O no hydrogen 3.095 N/A ILE 204.A N VAL 200.A O no hydrogen 2.967 N/A ARG 205.A N LEU 201.A O no hydrogen 3.015 N/A ARG 206.A N HIS 203.A O no hydrogen 3.443 N/A