Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tkc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 CYS 200.A O no hydrogen 3.357 N/A GLN 10.A N SER 7.A OG no hydrogen 2.948 N/A GLN 11.A N SER 7.A O no hydrogen 2.892 N/A ARG 12.A N GLU 8.A O no hydrogen 2.994 N/A ILE 13.A N GLU 9.A O no hydrogen 2.875 N/A ILE 14.A N GLN 10.A O no hydrogen 3.086 N/A ALA 15.A N GLN 11.A O no hydrogen 3.006 N/A ILE 16.A N ARG 12.A O no hydrogen 2.918 N/A LEU 17.A N ILE 13.A O no hydrogen 3.007 N/A LEU 18.A N ILE 14.A O no hydrogen 2.932 N/A ASP 19.A N ALA 15.A O no hydrogen 3.003 N/A ALA 20.A N ILE 16.A O no hydrogen 2.833 N/A HIS 21.A N LEU 17.A O no hydrogen 2.958 N/A HIS 22.A N LEU 18.A O no hydrogen 2.929 N/A LYS 23.A N ASP 19.A O no hydrogen 2.966 N/A LYS 23.A NZ ASP 19.A OD2 no hydrogen 2.803 N/A THR 24.A N HIS 21.A O no hydrogen 3.060 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.780 N/A TYR 25.A N HIS 21.A O no hydrogen 2.851 N/A TYR 25.A OH TYR 29.A OH no hydrogen 2.684 N/A THR 28.A N ASP 26.A OD1 no hydrogen 2.888 N/A THR 28.A OG1 ASP 26.A OD1 no hydrogen 2.680 N/A THR 28.A OG1 ASP 26.A OD2 no hydrogen 3.336 N/A TYR 29.A N ASP 26.A O no hydrogen 3.159 N/A TYR 29.A OH TYR 25.A OH no hydrogen 2.684 N/A SER 30.A N ASP 26.A OD2 no hydrogen 3.110 N/A SER 30.A OG ASP 26.A OD2 no hydrogen 2.736 N/A PHE 32.A N TYR 29.A O no hydrogen 3.170 N/A CYS 33.A SG SER 30.A O no hydrogen 3.757 N/A GLN 34.A N ASP 31.A O no hydrogen 2.895 N/A PHE 35.A N PHE 32.A O no hydrogen 3.181 N/A ARG 36.A N ASP 63.A OD2 no hydrogen 2.828 N/A ARG 36.A NE ASP 63.A OD1 no hydrogen 3.452 N/A ARG 36.A NE ASP 63.A OD2 no hydrogen 3.046 N/A ARG 36.A NH1 MET 243.A O no hydrogen 2.921 N/A ARG 36.A NH2 ASP 63.A OD1 no hydrogen 2.937 N/A ARG 36.A NH2 LEU 245.A O no hydrogen 2.894 N/A ARG 40.A NE ASP 130.A OD1 no hydrogen 2.895 N/A ARG 40.A NH1 ASP 123.A O no hydrogen 2.940 N/A ARG 40.A NH2 ASP 123.A O no hydrogen 3.124 N/A ARG 40.A NH2 ASP 130.A OD2 no hydrogen 3.324 N/A GLY 46.A N ASP 43.A O no hydrogen 2.975 N/A SER 47.A N ASP 43.A OD1 no hydrogen 2.814 N/A LEU 50.A N SER 47.A OG no hydrogen 3.149 N/A GLU 51.A N SER 47.A O no hydrogen 2.883 N/A LEU 52.A N VAL 48.A O no hydrogen 2.872 N/A SER 53.A N THR 49.A O no hydrogen 2.913 N/A SER 53.A OG.B THR 49.A O no hydrogen 3.235 N/A SER 53.A OG.B LEU 50.A O no hydrogen 2.634 N/A GLN 54.A N LEU 50.A O no hydrogen 2.988 N/A LEU 55.A N GLU 51.A O no hydrogen 2.732 N/A SER 56.A OG VAL 39.A O no hydrogen 2.783 N/A MET 57.A N LYS 133.A O no hydrogen 3.317 N/A LEU 58.A N LEU 55.A O no hydrogen 3.095 N/A HIS 60.A ND1 ARG 36.A O no hydrogen 2.780 N/A HIS 60.A NE2 TYR 126.A OH no hydrogen 2.740 N/A LEU 61.A N MET 57.A O no hydrogen 2.989 N/A ALA 62.A N LEU 58.A O no hydrogen 2.729 N/A ASP 63.A N PRO 59.A O no hydrogen 3.031 N/A LEU 64.A N HIS 60.A O no hydrogen 2.927 N/A VAL 65.A N LEU 61.A O no hydrogen 2.853 N/A SER 66.A N ALA 62.A O no hydrogen 2.808 N/A SER 66.A OG THR 246.A OG1 no hydrogen 2.869 N/A TYR 67.A N ASP 63.A O no hydrogen 2.927 N/A TYR 67.A OH ASP 31.A OD2 no hydrogen 2.765 N/A SER 68.A N LEU 64.A O no hydrogen 2.957 N/A SER 68.A OG LEU 64.A O no hydrogen 2.835 N/A ILE 69.A N VAL 65.A O no hydrogen 2.821 N/A GLN 70.A N SER 66.A O no hydrogen 3.073 N/A LYS 71.A N TYR 67.A O no hydrogen 3.050 N/A VAL 72.A N SER 68.A O no hydrogen 2.856 N/A ILE 73.A N ILE 69.A O no hydrogen 2.882 N/A GLY 74.A N GLN 70.A O no hydrogen 3.154 N/A PHE 75.A N LYS 71.A O no hydrogen 2.869 N/A ALA 76.A N VAL 72.A O no hydrogen 2.846 N/A LYS 77.A N ILE 73.A O no hydrogen 3.120 N/A MET 78.A N PHE 75.A O no hydrogen 2.983 N/A ILE 79.A N ALA 76.A O no hydrogen 3.004 N/A PHE 82.A N ILE 79.A O no hydrogen 2.953 N/A ASP 84.A N GLY 81.A O no hydrogen 2.876 N/A LEU 85.A N PHE 82.A O no hydrogen 3.151 N/A ASP 89.A N THR 86.A OG1 no hydrogen 3.139 N/A GLN 90.A N THR 86.A O no hydrogen 2.980 N/A GLN 90.A NE2 LEU 85.A O no hydrogen 2.974 N/A ILE 91.A N SER 87.A O no hydrogen 3.037 N/A VAL 92.A N GLU 88.A O no hydrogen 3.052 N/A LEU 93.A N ASP 89.A O no hydrogen 2.930 N/A LEU 94.A N GLN 90.A O no hydrogen 3.002 N/A LYS 95.A N ILE 91.A O no hydrogen 2.963 N/A LYS 95.A NZ GLU 251.A OE2 no hydrogen 2.810 N/A SER 96.A N VAL 92.A O no hydrogen 3.055 N/A SER 96.A OG VAL 92.A O no hydrogen 2.861 N/A SER 96.A OG LEU 93.A O no hydrogen 3.286 N/A SER 97.A N LEU 93.A O no hydrogen 3.056 N/A SER 97.A OG LEU 93.A O no hydrogen 2.815 N/A ALA 98.A N LEU 94.A O no hydrogen 2.998 N/A VAL 101.A N SER 97.A O no hydrogen 2.917 N/A ILE 102.A N ALA 98.A O no hydrogen 2.941 N/A MET 103.A N ILE 99.A O no hydrogen 2.946 N/A LEU 104.A N GLU 100.A O no hydrogen 2.891 N/A ARG 105.A N VAL 101.A O no hydrogen 2.780 N/A ARG 105.A NH2 THR 24.A O no hydrogen 2.852 N/A SER 106.A N ILE 102.A O no hydrogen 2.949 N/A SER 106.A OG MET 103.A O no hydrogen 2.794 N/A ASN 107.A N LEU 104.A O no hydrogen 3.076 N/A ASN 107.A ND2 GLN 148.A O no hydrogen 3.078 N/A ASN 107.A ND2 GLN 148.A OE1 no hydrogen 2.798 N/A GLU 108.A N ARG 105.A O no hydrogen 3.213 N/A SER 109.A N SER 106.A O no hydrogen 3.046 N/A SER 109.A OG SER 106.A O no hydrogen 3.151 N/A PHE 110.A N SER 106.A O no hydrogen 3.040 N/A THR 111.A N SER 116.A O no hydrogen 2.821 N/A ASP 113.A N THR 111.A OG1 no hydrogen 2.997 N/A SER 116.A OG ASP 114.A OD1 no hydrogen 2.657 N/A SER 116.A OG ASP 114.A OD2 no hydrogen 3.544 N/A SER 116.A OG THR 118.A OG1 no hydrogen 2.746 N/A TRP 117.A N TYR 126.A O no hydrogen 2.952 N/A TRP 117.A NE1 SER 106.A OG no hydrogen 2.982 N/A THR 118.A N SER 109.A O no hydrogen 2.880 N/A THR 118.A OG1 SER 116.A OG no hydrogen 2.746 N/A CYS 119.A N TYR 124.A O no hydrogen 2.948 N/A ASP 123.A N ASN 121.A OD1 no hydrogen 2.950 N/A TYR 124.A N ASN 121.A O no hydrogen 2.959 N/A LYS 125.A N GLN 122.A O no hydrogen 3.184 N/A LYS 125.A NZ ASP 114.A OD2 no hydrogen 2.863 N/A LYS 125.A NZ SER 116.A OG no hydrogen 3.384 N/A LYS 125.A NZ THR 118.A OG1 no hydrogen 2.836 N/A TYR 126.A N TRP 117.A O no hydrogen 2.895 N/A TYR 126.A OH HIS 60.A NE2 no hydrogen 2.740 N/A ARG 127.A N ASP 130.A OD2 no hydrogen 2.937 N/A ARG 127.A NH1 GLN 122.A OE1 no hydrogen 3.068 N/A ARG 127.A NH2 GLN 122.A OE1 no hydrogen 3.416 N/A ASP 130.A N ARG 127.A O no hydrogen 2.854 N/A VAL 131.A N ARG 127.A O no hydrogen 3.277 N/A VAL 131.A N VAL 128.A O no hydrogen 3.023 N/A THR 132.A N VAL 128.A O no hydrogen 3.107 N/A THR 132.A OG1 SER 129.A O no hydrogen 2.897 N/A LYS 133.A N SER 129.A O no hydrogen 3.261 N/A LYS 133.A NZ SER 129.A O no hydrogen 3.320 N/A ALA 134.A N VAL 131.A O no hydrogen 3.091 N/A GLY 135.A N THR 132.A O no hydrogen 3.077 N/A HIS 136.A N VAL 131.A O no hydrogen 3.377 N/A HIS 136.A ND1 GLN 231.A OE1 no hydrogen 3.026 N/A SER 137.A N GLN 231.A OE1 no hydrogen 2.891 N/A LEU 140.A N SER 137.A O no hydrogen 3.086 N/A ILE 141.A N SER 137.A O no hydrogen 3.109 N/A GLU 142.A N LEU 138.A O no hydrogen 2.923 N/A LEU 144.A N LEU 140.A O no hydrogen 2.975 N/A ILE 145.A N ILE 141.A O no hydrogen 2.891 N/A LYS 146.A N GLU 142.A O no hydrogen 2.992 N/A PHE 147.A N PRO 143.A O no hydrogen 2.875 N/A GLN 148.A N LEU 144.A O no hydrogen 2.950 N/A GLN 148.A NE2 MET 103.A O no hydrogen 2.941 N/A VAL 149.A N ILE 145.A O no hydrogen 3.025 N/A GLY 150.A N LYS 146.A O no hydrogen 2.983 N/A LEU 151.A N PHE 147.A O no hydrogen 2.931 N/A LYS 152.A N GLN 148.A O no hydrogen 2.898 N/A LYS 152.A NZ ASN 107.A O no hydrogen 3.009 N/A LYS 152.A NZ PHE 110.A O no hydrogen 2.969 N/A LYS 153.A N VAL 149.A O no hydrogen 2.959 N/A LEU 154.A N LEU 151.A O no hydrogen 3.093 N/A ASN 155.A N LYS 152.A O no hydrogen 2.962 N/A HIS 157.A N GLU 160.A OE1 no hydrogen 2.829 N/A HIS 157.A ND1 TYR 197.A OH no hydrogen 2.690 N/A GLU 159.A N GLU 159.A OE2 no hydrogen 2.696 N/A HIS 161.A N HIS 157.A O no hydrogen 3.032 N/A VAL 162.A N GLU 158.A O no hydrogen 2.934 N/A LEU 163.A N GLU 159.A O no hydrogen 3.162 N/A LEU 164.A N GLU 160.A O no hydrogen 2.907 N/A MET 165.A N HIS 161.A O no hydrogen 3.124 N/A ALA 166.A N VAL 162.A O no hydrogen 3.015 N/A ILE 167.A N LEU 163.A O no hydrogen 2.844 N/A CYS 168.A N LEU 164.A O no hydrogen 2.933 N/A CYS 168.A SG GLU 100.A OE1 no hydrogen 3.328 N/A ILE 169.A N MET 165.A O no hydrogen 3.133 N/A VAL 170.A N ALA 166.A O no hydrogen 2.993 N/A SER 171.A N ILE 169.A O no hydrogen 3.008 N/A SER 171.A OG.A ILE 167.A O no hydrogen 3.289 N/A SER 171.A OG.A CYS 168.A O no hydrogen 2.810 N/A SER 171.A OG.B ASP 173.A OD1 no hydrogen 2.425 N/A ARG 174.A NH1 GLU 100.A OE2 no hydrogen 3.003 N/A ARG 174.A NH2 GLU 100.A OE1 no hydrogen 2.990 N/A ARG 174.A NH2 CYS 168.A O no hydrogen 3.140 N/A GLN 178.A N ASP 89.A OD1 no hydrogen 2.753 N/A ASP 179.A N ASP 89.A OD2 no hydrogen 2.968 N/A LEU 182.A N ASP 179.A OD1 no hydrogen 3.112 N/A ILE 183.A N ASP 179.A O no hydrogen 3.131 N/A GLU 184.A N ALA 180.A O no hydrogen 2.871 N/A ALA 185.A N ALA 181.A O no hydrogen 2.954 N/A ILE 186.A N LEU 182.A O no hydrogen 3.024 N/A GLN 187.A N ILE 183.A O no hydrogen 2.867 N/A GLN 187.A NE2 ILE 167.A O no hydrogen 3.099 N/A ASP 188.A N GLU 184.A O no hydrogen 2.809 N/A ARG 189.A N ALA 185.A O no hydrogen 3.172 N/A LEU 190.A N ILE 186.A O no hydrogen 3.212 N/A SER 191.A N GLN 187.A O no hydrogen 2.726 N/A SER 191.A OG.A TYR 211.A OH no hydrogen 2.561 N/A SER 191.A OG.B GLN 187.A O no hydrogen 3.189 N/A ASN 192.A N ASP 188.A O no hydrogen 2.808 N/A THR 193.A N ARG 189.A O no hydrogen 3.173 N/A THR 193.A OG1 ARG 189.A O no hydrogen 2.862 N/A LEU 194.A N LEU 190.A O no hydrogen 2.968 N/A GLN 195.A N SER 191.A O no hydrogen 2.877 N/A GLN 195.A NE2 SER 191.A OG.A no hydrogen 3.269 N/A THR 196.A N ASN 192.A O no hydrogen 3.006 N/A THR 196.A OG1 ASN 192.A O no hydrogen 2.902 N/A TYR 197.A N THR 193.A O no hydrogen 2.857 N/A TYR 197.A OH HIS 157.A ND1 no hydrogen 2.690 N/A ILE 198.A N LEU 194.A O no hydrogen 2.958 N/A ARG 199.A N GLN 195.A O no hydrogen 3.206 N/A CYS 200.A N THR 196.A O no hydrogen 3.102 N/A CYS 200.A N TYR 197.A O no hydrogen 3.252 N/A CYS 200.A SG.A THR 196.A O no hydrogen 3.281 N/A CYS 200.A SG.B PRO 4.A O no hydrogen 2.829 N/A CYS 200.A SG.B THR 196.A O no hydrogen 3.479 N/A ARG 201.A N TYR 197.A O no hydrogen 2.796 N/A HIS 202.A N ILE 198.A O no hydrogen 3.194 N/A HIS 202.A ND1 GLU 160.A OE2 no hydrogen 2.545 N/A HIS 208.A N PRO 205.A O no hydrogen 3.024 N/A LEU 210.A N SER 207.A O no hydrogen 3.058 N/A TYR 211.A OH SER 191.A OG.A no hydrogen 2.561 N/A LYS 213.A N LEU 209.A O no hydrogen 3.060 N/A LYS 213.A NZ HIS 208.A O no hydrogen 3.404 N/A MET 214.A N LEU 210.A O no hydrogen 2.924 N/A ILE 215.A N TYR 211.A O no hydrogen 2.931 N/A GLN 216.A N ALA 212.A O no hydrogen 2.956 N/A LYS 217.A N LYS 213.A O no hydrogen 3.163 N/A LEU 218.A N MET 214.A O no hydrogen 3.233 N/A ALA 219.A N ILE 215.A O no hydrogen 3.264 N/A ASP 220.A N GLN 216.A O no hydrogen 2.897 N/A LEU 221.A N LYS 217.A O no hydrogen 2.966 N/A ARG 222.A N LEU 218.A O no hydrogen 3.367 N/A ARG 222.A N ALA 219.A O no hydrogen 3.119 N/A ARG 222.A NH1 ASP 173.A OD2 no hydrogen 3.330 N/A ARG 222.A NH2 ASP 173.A OD1 no hydrogen 2.793 N/A ARG 222.A NH2 ASP 173.A OD2 no hydrogen 3.442 N/A SER 223.A N ALA 219.A O no hydrogen 3.434 N/A LEU 224.A N ASP 220.A O no hydrogen 3.114 N/A ASN 225.A N LEU 221.A O no hydrogen 2.838 N/A ASN 225.A ND2 SER 96.A O no hydrogen 3.086 N/A ASN 225.A ND2 GLU 100.A OE2 no hydrogen 2.828 N/A GLU 226.A N ARG 222.A O no hydrogen 3.059 N/A GLU 227.A N SER 223.A O no hydrogen 3.056 N/A HIS 228.A N LEU 224.A O no hydrogen 2.818 N/A SER 229.A N ASN 225.A O no hydrogen 2.966 N/A SER 229.A OG.A GLU 226.A O no hydrogen 2.556 N/A LYS 230.A N GLU 226.A O no hydrogen 3.162 N/A GLN 231.A N GLU 227.A O no hydrogen 3.073 N/A GLN 231.A NE2 GLU 227.A OE1 no hydrogen 2.987 N/A TYR 232.A N HIS 228.A O no hydrogen 2.762 N/A ARG 233.A N SER 229.A O no hydrogen 3.020 N/A CYS 234.A N LYS 230.A O no hydrogen 3.321 N/A LEU 235.A N GLN 231.A O no hydrogen 3.003 N/A SER 236.A N TYR 232.A O no hydrogen 2.914 N/A SER 236.A OG.A ARG 233.A O no hydrogen 2.691 N/A SER 236.A OG.B TYR 232.A O no hydrogen 3.064 N/A PHE 237.A N CYS 234.A O no hydrogen 2.968 N/A GLN 238.A N LEU 235.A O no hydrogen 2.998 N/A CYS 241.A N GLN 238.A O no hydrogen 2.984 N/A CYS 241.A SG LEU 235.A O no hydrogen 3.397 N/A LYS 244.A N CYS 241.A O no hydrogen 2.833 N/A LEU 245.A N SER 242.A O no hydrogen 3.104 N/A THR 246.A OG1 SER 66.A OG no hydrogen 2.869 N/A VAL 249.A N THR 246.A OG1 no hydrogen 3.038 N/A LEU 250.A N THR 246.A O no hydrogen 2.872 N/A GLU 251.A N PRO 247.A O no hydrogen 3.009 N/A VAL 252.A N LEU 248.A O no hydrogen 2.993 N/A PHE 253.A N VAL 249.A O no hydrogen 3.053 N/A GLY 254.A N LEU 250.A O no hydrogen 2.839 N/A