Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tuc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE MET 78.A O no hydrogen 2.688 N/A ARG 2.A NH1 ASP 71.A OD1 no hydrogen 2.684 N/A ARG 2.A NH2 ASP 71.A OD1 no hydrogen 2.847 N/A LEU 8.A N ILE 81.A O no hydrogen 2.842 N/A ASP 9.A N TYR 33.A OH no hydrogen 3.201 N/A ARG 10.A NE GLU 85.A OE1 no hydrogen 3.004 N/A ARG 10.A NH1 ARG 10.A O no hydrogen 3.241 N/A ARG 10.A NH2 GLU 85.A OE2 no hydrogen 2.933 N/A LYS 11.A N ASP 9.A OD1 no hydrogen 3.043 N/A LEU 12.A N ASP 9.A O no hydrogen 2.924 N/A LEU 13.A N ARG 10.A O no hydrogen 3.142 N/A THR 14.A N TYR 32.A O no hydrogen 2.915 N/A GLU 16.A N LYS 30.A O no hydrogen 2.973 N/A LEU 20.A N VAL 28.A O no hydrogen 2.651 N/A GLY 21.A N VAL 28.A O no hydrogen 3.314 N/A SER 22.A OG GLU 19.A OE1 no hydrogen 3.415 N/A GLY 23.A N GLY 26.A O no hydrogen 2.949 N/A PHE 25.A N GLY 23.A O no hydrogen 3.045 N/A GLY 26.A N GLY 23.A O no hydrogen 3.312 N/A THR 27.A N ILE 46.A O no hydrogen 3.202 N/A VAL 28.A N GLY 21.A O no hydrogen 2.674 N/A LYS 29.A N VAL 44.A O no hydrogen 2.769 N/A LYS 29.A NZ GLU 16.A O no hydrogen 3.357 N/A LYS 29.A NZ ASP 17.A O no hydrogen 3.394 N/A GLY 31.A N VAL 42.A O no hydrogen 2.811 N/A TYR 32.A N THR 14.A O no hydrogen 2.893 N/A TYR 32.A OH GLU 16.A OE2 no hydrogen 2.781 N/A TYR 33.A N LYS 40.A O no hydrogen 2.787 N/A GLN 34.A N LEU 12.A O no hydrogen 2.826 N/A MET 35.A N VAL 38.A O no hydrogen 3.061 N/A LYS 40.A N TYR 33.A O no hydrogen 2.892 N/A VAL 42.A N GLY 31.A O no hydrogen 2.952 N/A ALA 43.A N MET 91.A O no hydrogen 2.848 N/A VAL 44.A N LYS 29.A O no hydrogen 2.673 N/A LYS 45.A N LEU 89.A O no hydrogen 2.877 N/A ILE 46.A N THR 27.A O no hydrogen 2.750 N/A LEU 47.A N TRP 87.A O no hydrogen 2.878 N/A LYS 48.A NZ GLU 50.A OE2 no hydrogen 2.722 N/A ASN 52.A N ASN 49.A O no hydrogen 2.862 N/A ASN 52.A ND2 ASN 49.A O no hydrogen 3.361 N/A ALA 55.A N ASP 53.A OD1 no hydrogen 3.361 N/A LEU 56.A N ASP 53.A O no hydrogen 3.258 N/A GLU 59.A N ALA 55.A O no hydrogen 3.326 N/A LEU 60.A N LEU 56.A O no hydrogen 2.919 N/A LEU 61.A N LYS 57.A O no hydrogen 3.042 N/A ALA 62.A N ASP 58.A O no hydrogen 3.137 N/A GLU 63.A N GLU 59.A O no hydrogen 3.066 N/A ALA 64.A N LEU 60.A O no hydrogen 2.873 N/A ASN 65.A N LEU 61.A O no hydrogen 3.141 N/A VAL 66.A N ALA 62.A O no hydrogen 3.234 N/A MET 67.A N GLU 63.A O no hydrogen 2.876 N/A GLN 68.A N ALA 64.A O no hydrogen 2.951 N/A GLN 69.A N VAL 66.A O no hydrogen 3.098 N/A LEU 70.A N MET 67.A O no hydrogen 3.098 N/A ASP 71.A N TYR 127.A OH no hydrogen 3.297 N/A TYR 74.A N ASN 72.A OD1 no hydrogen 2.711 N/A VAL 76.A N ILE 153.A O no hydrogen 3.028 N/A ARG 77.A N GLU 92.A OE1 no hydrogen 2.885 N/A ARG 77.A NE GLU 92.A OE1 no hydrogen 3.070 N/A ARG 77.A NE GLU 92.A OE2 no hydrogen 3.137 N/A ARG 77.A NH1 GLU 92.A OE2 no hydrogen 2.805 N/A ARG 77.A NH2 ASP 71.A O no hydrogen 2.897 N/A ILE 79.A N VAL 90.A O no hydrogen 2.654 N/A GLY 80.A N VAL 90.A O no hydrogen 3.271 N/A ILE 81.A N VAL 6.A O no hydrogen 2.808 N/A CYS 82.A N MET 88.A O no hydrogen 2.923 N/A ALA 84.A N SER 86.A O no hydrogen 3.119 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.886 N/A SER 86.A OG GLU 85.A O no hydrogen 2.899 N/A TRP 87.A N LEU 47.A O no hydrogen 3.348 N/A MET 88.A N CYS 82.A O no hydrogen 3.027 N/A LEU 89.A N LYS 45.A O no hydrogen 2.853 N/A VAL 90.A N GLY 80.A O no hydrogen 2.819 N/A MET 91.A N ALA 43.A O no hydrogen 2.824 N/A GLU 92.A N ARG 77.A O no hydrogen 3.071 N/A LEU 96.A N LEU 145.A O no hydrogen 2.785 N/A GLY 97.A N ALA 94.A O no hydrogen 2.984 N/A LEU 99.A N VAL 143.A O no hydrogen 2.836 N/A LYS 101.A N ASN 100.A OD1 no hydrogen 2.907 N/A TYR 102.A N PRO 98.A O no hydrogen 2.826 N/A TYR 102.A OH GLN 148.A OE1 no hydrogen 3.014 N/A LEU 103.A N LEU 99.A O no hydrogen 2.894 N/A GLN 104.A N ASN 100.A O no hydrogen 3.105 N/A GLN 105.A N LYS 101.A O no hydrogen 3.077 N/A ASN 106.A N LEU 103.A O no hydrogen 3.119 N/A ASN 106.A ND2 TYR 102.A O no hydrogen 3.042 N/A HIS 108.A NE2 ASN 106.A OD1 no hydrogen 3.063 N/A VAL 109.A N ASN 106.A O no hydrogen 3.375 N/A LYS 112.A N ASP 111.A OD1 no hydrogen 2.785 N/A LYS 112.A NZ VAL 257.A O no hydrogen 2.777 N/A ASN 113.A ND2 GLN 148.A O no hydrogen 2.934 N/A ILE 114.A N LYS 110.A O no hydrogen 2.975 N/A ILE 115.A N ASP 111.A O no hydrogen 2.834 N/A GLU 116.A N LYS 112.A O no hydrogen 3.032 N/A LEU 117.A N ASN 113.A O no hydrogen 3.061 N/A VAL 118.A N ILE 114.A O no hydrogen 2.915 N/A HIS 119.A N ILE 115.A O no hydrogen 2.991 N/A HIS 119.A NE2 GLU 247.A OE2 no hydrogen 2.729 N/A GLN 120.A N GLU 116.A O no hydrogen 3.144 N/A GLN 120.A NE2 HIS 149.A O no hydrogen 2.957 N/A VAL 121.A N LEU 117.A O no hydrogen 3.148 N/A SER 122.A N VAL 118.A O no hydrogen 3.014 N/A SER 122.A OG HIS 119.A O no hydrogen 2.608 N/A MET 123.A N HIS 119.A O no hydrogen 2.858 N/A GLY 124.A N GLN 120.A O no hydrogen 2.898 N/A MET 125.A N VAL 121.A O no hydrogen 2.839 N/A LYS 126.A N SER 122.A O no hydrogen 2.812 N/A LYS 126.A NZ GLU 130.A OE2 no hydrogen 3.208 N/A TYR 127.A N MET 123.A O no hydrogen 3.010 N/A LEU 128.A N GLY 124.A O no hydrogen 3.057 N/A GLU 129.A N MET 125.A O no hydrogen 2.782 N/A GLU 130.A N LYS 126.A O no hydrogen 2.895 N/A SER 131.A N TYR 127.A O no hydrogen 3.208 N/A SER 131.A N LEU 128.A O no hydrogen 3.131 N/A SER 131.A OG TYR 127.A O no hydrogen 2.847 N/A ASN 132.A N GLU 129.A O no hydrogen 3.013 N/A PHE 133.A N LEU 128.A O no hydrogen 2.876 N/A HIS 135.A N ASP 178.A OD2 no hydrogen 2.676 N/A HIS 135.A NE2 SER 154.A O no hydrogen 2.801 N/A ARG 136.A N ASP 178.A OD1 no hydrogen 2.979 N/A ASP 137.A N HIS 135.A ND1 no hydrogen 2.958 N/A ALA 140.A N GLU 188.A OE1 no hydrogen 3.104 N/A ARG 141.A NH2 ASP 137.A OD1 no hydrogen 2.930 N/A ASN 142.A N ALA 139.A O no hydrogen 2.879 N/A ASN 142.A ND2 ASP 137.A O no hydrogen 2.686 N/A ASN 142.A ND2 ASP 137.A OD2 no hydrogen 3.094 N/A VAL 143.A N ALA 140.A O no hydrogen 3.127 N/A LEU 144.A N LYS 152.A O no hydrogen 2.845 N/A LEU 145.A N GLY 97.A O no hydrogen 2.861 N/A VAL 146.A N TYR 150.A O no hydrogen 2.913 N/A THR 147.A N TYR 150.A O no hydrogen 3.430 N/A GLN 148.A NE2 ASN 113.A OD1 no hydrogen 2.763 N/A HIS 149.A N THR 147.A OG1 no hydrogen 2.884 N/A HIS 149.A ND1 GLU 116.A OE1 no hydrogen 2.701 N/A TYR 150.A N THR 147.A O no hydrogen 3.019 N/A TYR 150.A OH PRO 73.A O no hydrogen 3.307 N/A ALA 151.A N GLN 120.A OE1 no hydrogen 2.774 N/A LYS 152.A N LEU 144.A O no hydrogen 2.859 N/A LYS 152.A NZ PRO 73.A O no hydrogen 2.866 N/A LYS 152.A NZ ILE 75.A O no hydrogen 3.094 N/A LYS 152.A NZ GLU 92.A OE1 no hydrogen 2.606 N/A LYS 152.A NZ GLU 92.A OE2 no hydrogen 3.418 N/A LYS 152.A NZ TYR 150.A OH no hydrogen 2.991 N/A ILE 153.A N TYR 74.A O no hydrogen 2.905 N/A SER 154.A N ASN 142.A O no hydrogen 2.840 N/A SER 154.A OG ASN 142.A O no hydrogen 3.212 N/A GLY 157.A N HIS 135.A O no hydrogen 2.919 N/A LYS 161.A NZ TYR 197.A O no hydrogen 3.129 N/A LYS 161.A NZ MET 200.A O no hydrogen 2.749 N/A TRP 162.A N PRO 159.A O no hydrogen 2.779 N/A TRP 162.A NE1 GLU 188.A OE1 no hydrogen 2.742 N/A TYR 163.A N VAL 160.A O no hydrogen 3.107 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.848 N/A CYS 167.A N ALA 164.A O no hydrogen 2.827 N/A CYS 167.A SG LYS 172.A O no hydrogen 3.527 N/A CYS 167.A SG SER 177.A OG no hydrogen 2.806 N/A ASN 169.A N PRO 165.A O no hydrogen 2.922 N/A TYR 170.A N GLU 166.A O no hydrogen 3.098 N/A LYS 172.A N GLU 166.A O no hydrogen 3.083 N/A LYS 176.A NZ VAL 237.A O no hydrogen 2.986 N/A LYS 176.A NZ ARG 240.A O no hydrogen 2.833 N/A SER 177.A N SER 174.A O no hydrogen 3.034 N/A SER 177.A N SER 174.A OG no hydrogen 3.394 N/A ASP 178.A N SER 174.A O no hydrogen 3.071 N/A VAL 179.A N SER 175.A O no hydrogen 2.951 N/A TRP 180.A N LYS 176.A O no hydrogen 3.310 N/A SER 181.A N SER 177.A O no hydrogen 3.298 N/A SER 181.A OG TRP 162.A O no hydrogen 2.656 N/A SER 181.A OG SER 177.A O no hydrogen 3.456 N/A PHE 182.A N ASP 178.A O no hydrogen 2.801 N/A GLY 183.A N VAL 179.A O no hydrogen 2.972 N/A VAL 184.A N TRP 180.A O no hydrogen 3.187 N/A LEU 185.A N SER 181.A O no hydrogen 2.881 N/A MET 186.A N PHE 182.A O no hydrogen 2.875 N/A TRP 187.A N GLY 183.A O no hydrogen 3.016 N/A TRP 187.A NE1 GLY 216.A O no hydrogen 3.075 N/A GLU 188.A N VAL 184.A O no hydrogen 2.881 N/A ALA 189.A N LEU 185.A O no hydrogen 2.829 N/A PHE 190.A N MET 186.A O no hydrogen 2.951 N/A SER 191.A N TRP 187.A O no hydrogen 2.967 N/A SER 191.A N GLU 188.A O no hydrogen 3.162 N/A SER 191.A OG TRP 187.A O no hydrogen 2.753 N/A TYR 192.A N ALA 189.A O no hydrogen 2.829 N/A TYR 192.A OH VAL 109.A O no hydrogen 2.558 N/A GLY 193.A N GLU 188.A O no hydrogen 2.867 N/A GLN 194.A N SER 191.A O no hydrogen 3.310 N/A MET 200.A N TYR 197.A O no hydrogen 2.972 N/A LYS 201.A N GLU 204.A OE1 no hydrogen 3.047 N/A GLU 204.A N LYS 201.A O no hydrogen 2.948 N/A VAL 205.A N LYS 201.A O no hydrogen 3.175 N/A THR 206.A N GLY 202.A O no hydrogen 3.420 N/A THR 206.A OG1 GLY 202.A O no hydrogen 2.970 N/A ALA 207.A N SER 203.A O no hydrogen 3.368 N/A MET 208.A N GLU 204.A O no hydrogen 2.873 N/A LEU 209.A N VAL 205.A O no hydrogen 2.839 N/A GLU 210.A N THR 206.A O no hydrogen 3.094 N/A LYS 211.A N MET 208.A O no hydrogen 3.094 N/A GLY 212.A N LEU 209.A O no hydrogen 3.053 N/A GLU 213.A N MET 208.A O no hydrogen 3.292 N/A ARG 214.A NE TRP 233.A O no hydrogen 3.133 N/A ARG 214.A NH1 LEU 209.A O no hydrogen 3.173 N/A ARG 214.A NH1 GLU 213.A O no hydrogen 3.148 N/A ARG 214.A NH2 TRP 233.A O no hydrogen 2.908 N/A CYS 217.A SG PRO 218.A O no hydrogen 3.802 N/A CYS 217.A SG CYS 221.A O no hydrogen 3.601 N/A CYS 221.A N PRO 218.A O no hydrogen 2.938 N/A CYS 221.A SG PRO 222.A O no hydrogen 3.554 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.781 N/A MET 225.A N PRO 222.A O no hydrogen 3.048 N/A TYR 226.A N PRO 222.A O no hydrogen 3.094 N/A TYR 226.A OH MET 215.A O no hydrogen 2.643 N/A ASP 227.A N ARG 223.A O no hydrogen 2.836 N/A LEU 228.A N GLU 224.A O no hydrogen 3.075 N/A MET 229.A N MET 225.A O no hydrogen 2.991 N/A ASN 230.A N TYR 226.A O no hydrogen 2.972 N/A LEU 231.A N ASP 227.A O no hydrogen 3.074 N/A CYS 232.A N LEU 228.A O no hydrogen 2.980 N/A CYS 232.A SG LEU 228.A O no hydrogen 3.430 N/A TRP 233.A N MET 229.A O no hydrogen 3.121 N/A TRP 233.A N ASN 230.A O no hydrogen 3.170 N/A THR 234.A N LEU 231.A O no hydrogen 3.205 N/A THR 234.A OG1 LEU 231.A O no hydrogen 2.643 N/A GLU 238.A N ASP 236.A OD1 no hydrogen 2.983 N/A ASN 239.A N ASP 236.A O no hydrogen 3.173 N/A ARG 240.A N VAL 237.A O no hydrogen 3.409 N/A ARG 240.A NE THR 234.A O no hydrogen 2.907 N/A ARG 240.A NH1 GLU 166.A OE2 no hydrogen 2.996 N/A ARG 240.A NH1 LYS 176.A O no hydrogen 2.835 N/A ARG 240.A NH2 GLU 166.A OE1 no hydrogen 3.076 N/A ARG 240.A NH2 THR 234.A O no hydrogen 3.000 N/A ARG 240.A NH2 TYR 235.A O no hydrogen 3.185 N/A PHE 243.A N GLU 129.A OE1 no hydrogen 2.820 N/A PHE 243.A N GLU 129.A OE2 no hydrogen 3.214 N/A VAL 246.A N GLY 242.A O no hydrogen 3.200 N/A GLU 247.A N PHE 243.A O no hydrogen 2.764 N/A LEU 248.A N ALA 244.A O no hydrogen 3.043 N/A ARG 249.A N ALA 245.A O no hydrogen 3.101 N/A LEU 250.A N VAL 246.A O no hydrogen 2.915 N/A ARG 251.A N GLU 247.A O no hydrogen 2.629 N/A ARG 251.A NE GLU 247.A OE1 no hydrogen 3.367 N/A ARG 251.A NE GLU 247.A OE2 no hydrogen 3.007 N/A ARG 251.A NH1 GLU 247.A OE1 no hydrogen 2.769 N/A ASN 252.A N LEU 248.A O no hydrogen 2.893 N/A TYR 253.A N ARG 249.A O no hydrogen 2.990 N/A TYR 254.A N LEU 250.A O no hydrogen 2.770 N/A TYR 255.A N ARG 251.A O no hydrogen 3.132 N/A ASP 256.A N TYR 253.A O no hydrogen 3.357 N/A VAL 257.A N TYR 253.A O no hydrogen 3.115 N/A