Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ki4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASN 12.A O no hydrogen 2.905 N/A VAL 4.A N THR 11.A O no hydrogen 3.006 N/A THR 6.A N GLY 9.A O no hydrogen 2.910 N/A THR 6.A OG1 GLY 9.A O no hydrogen 2.738 N/A GLN 8.A N THR 6.A OG1 no hydrogen 3.163 N/A GLY 9.A N THR 6.A O no hydrogen 3.336 N/A THR 11.A N VAL 4.A O no hydrogen 2.775 N/A THR 11.A OG1 VAL 4.A O no hydrogen 3.530 N/A TRP 13.A NE1 PRO 167.A O no hydrogen 2.841 N/A THR 14.A N GLU 17.A OE1 no hydrogen 2.945 N/A THR 14.A OG1 GLN 16.A OE1 no hydrogen 3.562 N/A TYR 15.A OH GLU 19.A OE2 no hydrogen 2.584 N/A GLU 17.A N THR 14.A OG1 no hydrogen 3.093 N/A LEU 18.A N THR 14.A O no hydrogen 3.010 N/A GLU 19.A N TYR 15.A O no hydrogen 2.720 N/A ALA 20.A N GLN 16.A O no hydrogen 3.162 N/A THR 21.A N GLU 17.A O no hydrogen 3.048 N/A THR 21.A OG1 GLU 17.A O no hydrogen 2.928 N/A HIS 22.A N LEU 18.A O no hydrogen 2.739 N/A HIS 22.A ND1 TYR 103.A OH no hydrogen 2.697 N/A GLN 23.A N GLU 19.A O no hydrogen 2.965 N/A ALA 24.A N ALA 20.A O no hydrogen 3.028 N/A LEU 25.A N THR 21.A O no hydrogen 2.883 N/A THR 26.A N HIS 22.A O no hydrogen 2.927 N/A THR 26.A OG1 HIS 22.A O no hydrogen 3.184 N/A ARG 27.A N GLN 23.A O no hydrogen 2.938 N/A GLU 28.A N ALA 24.A O no hydrogen 2.879 N/A GLY 29.A N THR 26.A O no hydrogen 3.024 N/A TYR 30.A N LEU 25.A O no hydrogen 2.962 N/A VAL 31.A N ILE 104.A O no hydrogen 2.772 N/A VAL 33.A N VAL 102.A O no hydrogen 2.845 N/A TYR 35.A N ALA 66.A O no hydrogen 2.782 N/A TYR 35.A OH GLU 188.A OE1 no hydrogen 2.729 N/A HIS 36.A N LEU 100.A O no hydrogen 2.821 N/A HIS 36.A ND1 TYR 64.A O no hydrogen 2.721 N/A THR 38.A N VAL 98.A O no hydrogen 3.131 N/A ASN 39.A N THR 38.A OG1 no hydrogen 2.720 N/A VAL 41.A N ASN 39.A OD1 no hydrogen 2.949 N/A ALA 42.A N ASN 39.A OD1 no hydrogen 2.908 N/A ALA 43.A N ASN 39.A O no hydrogen 2.987 N/A GLN 44.A N HIS 40.A O no hydrogen 3.255 N/A GLN 44.A NE2 GLN 44.A O no hydrogen 3.262 N/A GLN 44.A NE2 ASN 48.A OD1 no hydrogen 2.950 N/A THR 45.A N VAL 41.A O no hydrogen 3.167 N/A THR 45.A OG1 VAL 41.A O no hydrogen 3.275 N/A ILE 46.A N ALA 42.A O no hydrogen 2.928 N/A VAL 47.A N ALA 43.A O no hydrogen 2.927 N/A ASN 48.A N GLN 44.A O no hydrogen 2.909 N/A ARG 49.A N THR 45.A O no hydrogen 3.038 N/A THR 54.A OG1 GLU 57.A OE1 no hydrogen 3.329 N/A GLU 57.A N THR 54.A OG1 no hydrogen 3.041 N/A GLU 58.A N THR 54.A O no hydrogen 2.920 N/A LYS 59.A N GLU 55.A O no hydrogen 2.877 N/A LYS 59.A NZ ASN 56.A OD1.B no hydrogen 3.570 N/A LYS 59.A NZ GLU 123.A OE1 no hydrogen 3.157 N/A LYS 59.A NZ GLU 123.A OE2 no hydrogen 3.176 N/A TRP 60.A N ASN 56.A O no hydrogen 3.130 N/A GLY 61.A N GLU 58.A O no hydrogen 3.152 N/A LEU 63.A N ILE 155.A O no hydrogen 2.850 N/A TYR 64.A OH TRP 60.A O no hydrogen 2.532 N/A VAL 65.A N THR 153.A O no hydrogen 2.980 N/A ALA 66.A N TYR 35.A O no hydrogen 2.882 N/A VAL 71.A N HIS 68.A O no hydrogen 2.927 N/A HIS 73.A N ALA 69.A O no hydrogen 2.833 N/A GLY 74.A N GLU 70.A O no hydrogen 3.149 N/A TYR 75.A N ALA 72.A O no hydrogen 2.908 N/A ALA 76.A N HIS 73.A O no hydrogen 3.106 N/A ARG 77.A N TYR 75.A O no hydrogen 2.819 N/A ARG 77.A NE ALA 174.A O no hydrogen 2.967 N/A ARG 77.A NH2 TYR 175.A O no hydrogen 2.808 N/A LYS 79.A NZ TYR 75.A O no hydrogen 2.925 N/A LYS 79.A NZ ARG 77.A O no hydrogen 2.908 N/A THR 82.A N GLU 92.A OE1 no hydrogen 2.930 N/A THR 82.A OG1 GLU 92.A OE2 no hydrogen 2.596 N/A GLY 83.A N LEU 87.A O no hydrogen 2.657 N/A GLY 86.A N GLY 83.A O no hydrogen 3.058 N/A LEU 87.A N GLU 84.A O no hydrogen 2.920 N/A THR 89.A N GLU 92.A OE1 no hydrogen 2.923 N/A ARG 90.A NE ASP 94.A OD2 no hydrogen 3.065 N/A GLU 92.A N THR 89.A OG1 no hydrogen 3.140 N/A ARG 93.A N THR 89.A O no hydrogen 2.916 N/A ARG 93.A NH2 PRO 88.A O no hydrogen 3.217 N/A ASP 94.A N ARG 90.A O no hydrogen 2.909 N/A ALA 95.A N ALA 91.A O no hydrogen 3.057 N/A ARG 96.A N PRO 7.A O no hydrogen 2.784 N/A ARG 96.A NH1 ARG 93.A O no hydrogen 3.438 N/A ARG 96.A NH1 ALA 95.A O no hydrogen 2.727 N/A GLY 97.A N ASN 173.A O no hydrogen 2.895 N/A VAL 98.A N THR 38.A O no hydrogen 2.893 N/A LEU 100.A N HIS 36.A O no hydrogen 2.832 N/A ARG 101.A N ILE 166.A O no hydrogen 2.681 N/A ARG 101.A NE TYR 103.A OH no hydrogen 2.976 N/A ARG 101.A NH1 GLU 188.A OE1 no hydrogen 3.029 N/A ARG 101.A NH1 SER 192.A OG no hydrogen 2.721 N/A ARG 101.A NH2 HIS 22.A ND1 no hydrogen 3.492 N/A ARG 101.A NH2 TYR 103.A OH no hydrogen 3.052 N/A ARG 101.A NH2 ILE 191.A O no hydrogen 2.815 N/A VAL 102.A N GLY 34.A O no hydrogen 2.847 N/A TYR 103.A N VAL 164.A O no hydrogen 2.887 N/A TYR 103.A OH HIS 22.A ND1 no hydrogen 2.697 N/A ILE 104.A N VAL 31.A O no hydrogen 2.968 N/A ARG 106.A N GLY 29.A O no hydrogen 2.854 N/A SER 108.A N PRO 105.A O no hydrogen 2.922 N/A LEU 109.A N ARG 106.A O no hydrogen 3.079 N/A GLU 110.A N ALA 107.A O no hydrogen 3.209 N/A ARG 111.A N SER 108.A O no hydrogen 3.007 N/A ARG 111.A NE ASN 138.A O no hydrogen 2.741 N/A ARG 111.A NH2 ASN 138.A OD1 no hydrogen 2.941 N/A PHE 112.A N LEU 109.A O no hydrogen 3.194 N/A TYR 113.A N ALA 140.A O no hydrogen 2.918 N/A ARG 114.A N LYS 198.A O no hydrogen 2.952 N/A ARG 114.A NE ASP 151.A OD2 no hydrogen 2.874 N/A ARG 114.A NH1 ASN 116.A OD1 no hydrogen 2.866 N/A ARG 114.A NH1 GLU 199.A OE1 no hydrogen 3.089 N/A ARG 114.A NH2 ASP 151.A OD1 no hydrogen 2.851 N/A THR 115.A N THR 142.A O no hydrogen 2.917 N/A THR 117.A N THR 115.A OG1 no hydrogen 3.059 N/A LEU 119.A N PRO 144.A O no hydrogen 2.967 N/A ASN 121.A N PRO 118.A O no hydrogen 2.793 N/A ALA 122.A N LEU 119.A O no hydrogen 2.954 N/A ILE 126.A N ALA 122.A O no hydrogen 2.808 N/A THR 127.A N GLU 123.A O no hydrogen 2.936 N/A THR 127.A OG1 GLU 123.A O no hydrogen 3.005 N/A THR 127.A OG1 GLU 124.A O no hydrogen 2.910 N/A GLN 128.A N GLU 124.A O no hydrogen 3.210 N/A GLN 128.A NE2 GLU 124.A O no hydrogen 2.986 N/A VAL 129.A N HIS 125.A O no hydrogen 2.964 N/A ILE 130.A N ILE 126.A O no hydrogen 2.975 N/A GLY 131.A N THR 127.A O no hydrogen 2.954 N/A HIS 132.A ND1 SER 133.A O no hydrogen 2.719 N/A HIS 132.A NE2 GLU 139.A OE1 no hydrogen 2.980 N/A HIS 132.A NE2 GLU 139.A OE2 no hydrogen 2.858 N/A SER 133.A OG LEU 134.A O no hydrogen 3.527 N/A ARG 137.A N GLU 139.A OE1 no hydrogen 2.791 N/A ALA 140.A N ARG 111.A O no hydrogen 2.972 N/A PHE 141.A N VAL 154.A O no hydrogen 2.906 N/A THR 142.A N TYR 113.A O no hydrogen 2.907 N/A THR 142.A OG1 THR 153.A OG1 no hydrogen 2.640 N/A GLY 143.A N GLU 152.A O no hydrogen 3.060 N/A GLU 145.A N GLU 150.A O no hydrogen 2.839 N/A GLY 149.A N SER 146.A O no hydrogen 3.021 N/A GLU 152.A N GLY 143.A O no hydrogen 2.881 N/A THR 153.A N VAL 65.A O no hydrogen 2.732 N/A THR 153.A OG1 THR 142.A OG1 no hydrogen 2.640 N/A VAL 154.A N PHE 141.A O no hydrogen 2.824 N/A ILE 155.A N LEU 63.A O no hydrogen 2.811 N/A GLY 156.A N GLU 139.A O no hydrogen 2.861 N/A MET 159.A N GLY 156.A O no hydrogen 2.983 N/A ALA 160.A N GLY 156.A O no hydrogen 2.806 N/A ILE 161.A N TRP 157.A O no hydrogen 3.035 N/A HIS 162.A N MET 159.A O no hydrogen 2.863 N/A ALA 163.A N ALA 160.A O no hydrogen 2.871 N/A VAL 164.A N TYR 103.A O no hydrogen 2.878 N/A ILE 166.A N ARG 101.A O no hydrogen 3.067 N/A SER 168.A N MET 99.A O no hydrogen 2.813 N/A SER 168.A OG GLU 188.A OE1 no hydrogen 2.778 N/A SER 168.A OG GLU 188.A OE2 no hydrogen 2.953 N/A THR 169.A N GLU 188.A OE2 no hydrogen 2.652 N/A THR 169.A OG1 GLU 188.A OE2 no hydrogen 2.521 N/A ILE 170.A N SER 168.A OG no hydrogen 2.927 N/A ASN 173.A N ALA 76.A O no hydrogen 2.909 N/A ASN 173.A ND2 HIS 73.A O no hydrogen 2.954 N/A ASN 173.A ND2 GLU 177.A OE2 no hydrogen 3.130 N/A ALA 174.A N ASN 173.A OD1 no hydrogen 2.876 N/A LEU 178.A N ASN 173.A OD1 no hydrogen 2.817 N/A ALA 184.A N ASP 181.A OD1 no hydrogen 3.349 N/A VAL 185.A N ASP 181.A O no hydrogen 3.153 N/A ALA 186.A N GLU 182.A O no hydrogen 2.837 N/A LYS 187.A N GLU 183.A O no hydrogen 2.903 N/A GLU 188.A N ALA 184.A O no hydrogen 3.143 N/A GLN 189.A N.A ALA 186.A O no hydrogen 3.074 N/A GLN 189.A N.B ALA 186.A O no hydrogen 3.069 N/A ILE 191.A N GLU 188.A O no hydrogen 3.147 N/A SER 192.A N GLN 189.A O.A no hydrogen 2.770 N/A SER 192.A N GLN 189.A O.B no hydrogen 3.124 N/A SER 192.A OG TYR 35.A OH no hydrogen 3.158 N/A SER 192.A OG GLU 188.A O no hydrogen 2.723 N/A LYS 198.A N PHE 112.A O no hydrogen 2.889 N/A