Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kae_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N SER 1.A O no hydrogen 3.249 N/A ILE 7.A N LEU 3.A O no hydrogen 2.955 N/A CYS 8.A N ILE 4.A O no hydrogen 2.954 N/A CYS 8.A SG ILE 4.A O no hydrogen 3.577 N/A LYS 9.A N GLY 5.A O no hydrogen 3.001 N/A SER 10.A N LYS 6.A O no hydrogen 2.985 N/A SER 10.A OG LYS 6.A O no hydrogen 2.770 N/A ILE 11.A N ILE 7.A O no hydrogen 2.913 N/A ARG 12.A N CYS 8.A O no hydrogen 2.932 N/A TYR 13.A N LYS 9.A O no hydrogen 3.065 N/A ARG 14.A N ILE 11.A O no hydrogen 2.623 N/A ARG 14.A NH1 TYR 16.A OH no hydrogen 2.939 N/A ASP 15.A N SER 10.A O no hydrogen 2.721 N/A THR 18.A N ASP 15.A OD1 no hydrogen 3.509 N/A THR 18.A OG1 ASP 15.A OD1 no hydrogen 3.143 N/A THR 18.A OG1 ASP 15.A OD2 no hydrogen 2.575 N/A ALA 19.A N ASP 15.A O no hydrogen 3.440 N/A ILE 20.A N TYR 16.A O no hydrogen 2.696 N/A PHE 21.A N GLU 17.A O no hydrogen 2.909 N/A LEU 22.A N THR 18.A O no hydrogen 2.781 N/A ALA 23.A N ALA 19.A O no hydrogen 2.826 N/A ALA 24.A N ILE 20.A O no hydrogen 2.848 N/A CYS 25.A N PHE 21.A O no hydrogen 3.114 N/A CYS 25.A SG PHE 21.A O no hydrogen 3.417 N/A LEU 26.A N ALA 23.A O no hydrogen 2.925 N/A LEU 27.A N ALA 23.A O no hydrogen 3.174 N/A ARG 30.A NH1 HIS 49.A ND1 no hydrogen 3.320 N/A SER 34.A N ARG 30.A O no hydrogen 3.117 N/A SER 34.A OG ARG 30.A O no hydrogen 3.358 N/A ILE 35.A N MET 31.A O no hydrogen 2.897 N/A VAL 36.A N LEU 32.A O no hydrogen 3.050 N/A LEU 37.A N MET 33.A O no hydrogen 2.993 N/A TYR 38.A N SER 34.A O no hydrogen 2.864 N/A LEU 39.A N ILE 35.A O no hydrogen 2.753 N/A ASN 40.A N VAL 36.A O no hydrogen 3.057 N/A ASN 40.A N LEU 37.A O no hydrogen 3.231 N/A GLY 41.A N TYR 38.A O no hydrogen 2.911 N/A GLU 42.A N LEU 37.A O no hydrogen 2.853 N/A ARG 45.A NH1 GLU 42.A OE2 no hydrogen 2.759 N/A ALA 46.A N GLU 42.A O no hydrogen 3.004 N/A LEU 47.A N TYR 43.A O no hydrogen 2.917 N/A PHE 48.A N THR 44.A O no hydrogen 3.251 N/A LEU 50.A N ALA 46.A O no hydrogen 2.931 N/A HIS 51.A N LEU 47.A O no hydrogen 2.806 N/A LYS 52.A N HIS 49.A O no hydrogen 3.196 N/A LEU 53.A N LEU 50.A O no hydrogen 2.817 N/A THR 55.A N SER 58.A OG no hydrogen 3.132 N/A THR 55.A OG1 ASP 90.A OD1 no hydrogen 3.120 N/A THR 55.A OG1 ASP 90.A OD2 no hydrogen 2.908 N/A CYS 56.A SG ASP 90.A OD2 no hydrogen 3.295 N/A CYS 56.A SG VAL 102.A O no hydrogen 3.158 N/A THR 57.A OG1 ASP 90.A OD1 no hydrogen 3.317 N/A THR 57.A OG1 ASP 90.A OD2 no hydrogen 3.210 N/A SER 58.A N THR 55.A OG1 no hydrogen 3.219 N/A SER 58.A OG THR 55.A O no hydrogen 3.425 N/A LYS 59.A N THR 55.A O no hydrogen 2.885 N/A LYS 59.A NZ GLU 62.A OE1 no hydrogen 3.456 N/A LYS 59.A NZ GLU 62.A OE2 no hydrogen 3.372 N/A TYR 60.A N CYS 56.A O no hydrogen 2.931 N/A TYR 61.A N THR 57.A O no hydrogen 3.049 N/A GLU 62.A N SER 58.A O no hydrogen 2.767 N/A SER 63.A N LYS 59.A O no hydrogen 2.928 N/A SER 63.A OG ALA 75.A O no hydrogen 2.636 N/A LEU 64.A N TYR 60.A O no hydrogen 2.990 N/A CYS 65.A N TYR 61.A O no hydrogen 2.916 N/A CYS 65.A SG TYR 43.A O no hydrogen 3.952 N/A CYS 65.A SG TYR 61.A O no hydrogen 3.131 N/A TYR 66.A N GLU 62.A O no hydrogen 2.861 N/A LYS 67.A N SER 63.A O no hydrogen 2.881 N/A LYS 68.A N LEU 64.A O no hydrogen 2.958 N/A LYS 69.A N CYS 65.A O no hydrogen 3.061 N/A LYS 69.A NZ THR 44.A OG1 no hydrogen 2.679 N/A LYS 70.A N LYS 67.A O no hydrogen 2.951 N/A ASP 71.A N TYR 66.A O no hydrogen 2.790 N/A LYS 74.A N ASP 71.A OD1 no hydrogen 3.385 N/A LYS 74.A NZ ASP 71.A OD2 no hydrogen 2.996 N/A ALA 75.A N ASP 71.A O no hydrogen 2.982 N/A ILE 76.A N TYR 72.A O no hydrogen 2.836 N/A LYS 77.A N LYS 73.A O no hydrogen 2.974 N/A SER 78.A N LYS 74.A O no hydrogen 2.828 N/A SER 78.A OG GLU 62.A OE2 no hydrogen 2.826 N/A SER 78.A OG LYS 74.A O no hydrogen 3.229 N/A LEU 79.A N ALA 75.A O no hydrogen 3.198 N/A GLU 80.A N ILE 76.A O no hydrogen 3.038 N/A SER 81.A N LYS 77.A O no hydrogen 3.253 N/A SER 81.A OG LYS 77.A O no hydrogen 3.328 N/A ILE 82.A N LEU 79.A O no hydrogen 2.891 N/A LEU 83.A N LEU 79.A O no hydrogen 3.183 N/A GLU 84.A N GLU 80.A O no hydrogen 2.631 N/A GLY 85.A N ILE 82.A O no hydrogen 2.625 N/A LYS 86.A N SER 81.A O no hydrogen 2.786 N/A GLU 88.A N ASN 54.A O no hydrogen 3.125 N/A ARG 96.A NE ASP 94.A OD1 no hydrogen 2.798 N/A ARG 96.A NH2 ASP 94.A OD1 no hydrogen 3.170 N/A ARG 96.A NH2 ASP 94.A OD2 no hydrogen 3.520 N/A ILE 97.A N ASP 94.A O no hydrogen 2.975 N/A GLN 98.A N ASP 94.A O no hydrogen 2.939 N/A GLU 99.A N ALA 95.A O no hydrogen 3.357 N/A MET 100.A N ILE 97.A O no hydrogen 2.858 N/A PHE 101.A N GLN 98.A O no hydrogen 2.772 N/A VAL 102.A N THR 57.A OG1 no hydrogen 2.881 N/A GLY 105.A N ASP 103.A OD1 no hydrogen 3.084 N/A ASP 106.A N ASP 103.A O no hydrogen 2.975 N/A PHE 109.A N ASP 106.A O no hydrogen 3.334 N/A GLU 111.A N GLU 107.A O no hydrogen 2.951 N/A SER 112.A N GLU 108.A O no hydrogen 2.879 N/A LEU 113.A N PHE 109.A O no hydrogen 3.105 N/A LEU 114.A N PHE 110.A O no hydrogen 2.780 N/A GLY 115.A N GLU 111.A O no hydrogen 2.779 N/A ASP 116.A N SER 112.A O no hydrogen 2.999 N/A LEU 117.A N LEU 113.A O no hydrogen 2.858 N/A CYS 118.A N LEU 114.A O no hydrogen 2.953 N/A CYS 118.A SG LEU 114.A O no hydrogen 3.319 N/A THR 119.A N GLY 115.A O no hydrogen 3.020 N/A THR 119.A OG1 GLY 115.A O no hydrogen 3.042 N/A LEU 120.A N ASP 116.A O no hydrogen 2.724 N/A SER 121.A N LEU 117.A O no hydrogen 2.862 N/A SER 121.A N CYS 118.A O no hydrogen 3.196 N/A GLY 122.A N THR 119.A O no hydrogen 3.039 N/A TYR 123.A N CYS 118.A O no hydrogen 2.614 N/A GLY 127.A N TYR 123.A O no hydrogen 3.004 N/A ILE 128.A N ARG 124.A O no hydrogen 2.837 N/A GLY 129.A N GLU 125.A O no hydrogen 3.103 N/A HIS 130.A N GLU 126.A O no hydrogen 3.079 N/A HIS 130.A ND1 GLU 111.A OE1 no hydrogen 2.702 N/A HIS 130.A NE2 GLU 126.A OE2 no hydrogen 3.285 N/A TYR 131.A N GLY 127.A O no hydrogen 2.876 N/A TYR 131.A OH ASP 116.A OD1 no hydrogen 2.644 N/A VAL 132.A N ILE 128.A O no hydrogen 2.746 N/A ARG 133.A N GLY 129.A O no hydrogen 2.974 N/A ARG 133.A NE GLU 111.A OE2 no hydrogen 3.544 N/A ARG 133.A NH1 HIS 130.A ND1 no hydrogen 3.388 N/A SER 134.A N HIS 130.A O no hydrogen 2.719 N/A SER 134.A OG GLU 108.A O no hydrogen 2.956 N/A PHE 135.A N TYR 131.A O no hydrogen 2.787 N/A GLY 136.A N VAL 132.A O no hydrogen 2.997 N/A LYS 137.A N SER 134.A O no hydrogen 2.878 N/A SER 138.A N SER 134.A O no hydrogen 3.222 N/A SER 138.A OG PHE 139.A O no hydrogen 3.462 N/A SER 142.A OG ASP 116.A OD1 no hydrogen 2.876 N/A SER 142.A OG ASP 116.A OD2 no hydrogen 3.549 N/A VAL 144.A N LEU 140.A O no hydrogen 3.250 N/A GLU 145.A N PHE 141.A O no hydrogen 2.909 N/A ASN 146.A N SER 142.A O no hydrogen 3.109 N/A ASN 146.A ND2 SER 142.A O no hydrogen 2.652 N/A LEU 147.A N PRO 143.A O no hydrogen 2.807 N/A LEU 148.A N VAL 144.A O no hydrogen 2.910 N/A LEU 149.A N GLU 145.A O no hydrogen 3.028 N/A GLU 150.A N ASN 146.A O no hydrogen 3.024 N/A ASN 151.A N LEU 148.A O no hydrogen 2.810 N/A LYS 152.A N LEU 147.A O no hydrogen 2.856 N/A LYS 152.A NZ GLU 150.A O no hydrogen 3.389 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.542 N/A GLU 162.A N GLY 158.A O no hydrogen 2.969 N/A TYR 163.A N ILE 159.A O no hydrogen 3.029 N/A TYR 163.A OH GLU 145.A OE2 no hydrogen 2.571 N/A VAL 164.A N GLU 160.A O no hydrogen 2.962 N/A SER 165.A N GLU 161.A O no hydrogen 3.025 N/A SER 165.A OG GLU 161.A O no hydrogen 2.701 N/A ASP 166.A N GLU 162.A O no hydrogen 2.898 N/A SER 167.A N TYR 163.A O no hydrogen 3.044 N/A SER 167.A OG TYR 163.A O no hydrogen 2.706 N/A ILE 168.A N VAL 164.A O no hydrogen 2.843 N/A GLU 169.A N SER 165.A O no hydrogen 2.943 N/A PHE 170.A N ASP 166.A O no hydrogen 2.716 N/A HIS 171.A N SER 167.A O no hydrogen 3.062 N/A GLU 172.A N GLU 169.A O no hydrogen 3.167 N/A SER 173.A OG GLU 169.A O no hydrogen 3.162 N/A LEU 174.A N PHE 170.A O no hydrogen 2.703 N/A SER 175.A N SER 173.A OG no hydrogen 3.062 N/A SER 177.A OG SER 175.A OG no hydrogen 2.908 N/A LEU 178.A N SER 175.A O no hydrogen 3.043 N/A LEU 178.A N SER 175.A OG no hydrogen 3.218 N/A VAL 179.A N SER 175.A O no hydrogen 3.245 N/A LYS 180.A N PRO 176.A O no hydrogen 3.098 N/A LYS 181.A N SER 177.A O no hydrogen 3.021 N/A LYS 181.A NZ GLU 162.A OE2 no hydrogen 2.795 N/A LYS 181.A NZ ASP 166.A OD2 no hydrogen 2.684 N/A TYR 182.A N LEU 178.A O no hydrogen 3.090 N/A TYR 182.A OH ASP 166.A OD2 no hydrogen 2.440 N/A MET 183.A N LYS 180.A O no hydrogen 3.322 N/A HIS 185.A N TYR 182.A O no hydrogen 3.212 N/A GLY 188.A N SER 191.A OG no hydrogen 2.930 N/A GLY 190.A N HIS 185.A O no hydrogen 2.739 N/A SER 191.A N GLY 188.A O no hydrogen 2.949 N/A SER 191.A OG GLY 188.A O no hydrogen 2.959 N/A SER 191.A OG ASP 221.A OD1 no hydrogen 3.179 N/A PHE 193.A N ILE 189.A O no hydrogen 3.189 N/A ILE 194.A N GLY 190.A O no hydrogen 2.750 N/A SER 195.A N SER 191.A O no hydrogen 3.152 N/A SER 195.A OG SER 191.A O no hydrogen 2.478 N/A ASN 196.A N TYR 192.A O no hydrogen 2.748 N/A ASN 196.A ND2 GLU 145.A OE1 no hydrogen 2.940 N/A ASN 196.A ND2 GLU 145.A OE2 no hydrogen 3.438 N/A ALA 197.A N PHE 193.A O no hydrogen 2.778 N/A ALA 198.A N ILE 194.A O no hydrogen 2.912 N/A ARG 199.A N SER 195.A O no hydrogen 3.353 N/A ARG 200.A N ASN 196.A O no hydrogen 2.983 N/A ARG 200.A NE HIS 171.A O no hydrogen 3.096 N/A ARG 200.A NH2 HIS 171.A O no hydrogen 3.457 N/A TYR 201.A N ALA 197.A O no hydrogen 2.900 N/A PHE 202.A N ALA 198.A O no hydrogen 3.206 N/A ASN 203.A N ARG 199.A O no hydrogen 3.108 N/A LEU 204.A N ARG 200.A O no hydrogen 3.123 N/A LEU 204.A N TYR 201.A O no hydrogen 3.085 N/A GLY 205.A N PHE 202.A O no hydrogen 2.717 N/A ASN 207.A N GLY 205.A O no hydrogen 2.802 N/A SER 210.A N MET 206.A O no hydrogen 3.179 N/A SER 210.A OG ALA 198.A O no hydrogen 2.756 N/A LYS 211.A N ASN 207.A O no hydrogen 3.051 N/A ALA 212.A N ASP 208.A O no hydrogen 3.133 N/A CYS 213.A N LYS 209.A O no hydrogen 2.917 N/A CYS 213.A SG LYS 209.A O no hydrogen 3.763 N/A PHE 214.A N SER 210.A O no hydrogen 3.099 N/A GLU 215.A N LYS 211.A O no hydrogen 2.682 N/A LEU 216.A N ALA 212.A O no hydrogen 2.929 N/A VAL 217.A N CYS 213.A O no hydrogen 3.337 N/A ARG 218.A N PHE 214.A O no hydrogen 2.856 N/A ARG 219.A N GLU 215.A O no hydrogen 3.050 N/A ARG 219.A N LEU 216.A O no hydrogen 3.092 N/A LYS 220.A N LEU 216.A O no hydrogen 2.917 N/A ASP 221.A N VAL 217.A O no hydrogen 2.792 N/A PHE 224.A N ASP 221.A O no hydrogen 2.938 N/A