Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tjc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N VAL 74.A O no hydrogen 3.302 N/A GLU 3.A N TYR 26.A OH no hydrogen 2.915 N/A ARG 5.A NE GLU 3.A OE2 no hydrogen 3.508 N/A HIS 6.A N GLU 3.A O no hydrogen 3.241 N/A LEU 7.A N GLU 4.A O no hydrogen 3.202 N/A LYS 8.A N ARG 25.A O no hydrogen 2.832 N/A LEU 10.A N MET 23.A O no hydrogen 2.876 N/A GLN 11.A N MET 23.A O no hydrogen 3.249 N/A GLN 11.A NE2 GLN 12.A O no hydrogen 2.842 N/A LEU 13.A N VAL 21.A O no hydrogen 2.818 N/A GLY 14.A N VAL 21.A O no hydrogen 3.324 N/A GLY 16.A N GLY 19.A O no hydrogen 3.080 N/A GLY 19.A N GLY 16.A O no hydrogen 2.592 N/A SER 20.A N LYS 41.A O no hydrogen 2.876 N/A SER 20.A OG GLN 12.A OE1 no hydrogen 3.397 N/A VAL 21.A N GLY 14.A O no hydrogen 3.215 N/A GLU 22.A N VAL 39.A O no hydrogen 2.739 N/A MET 23.A N GLN 11.A O no hydrogen 2.698 N/A CYS 24.A N VAL 37.A O no hydrogen 2.969 N/A ARG 25.A N LYS 8.A O no hydrogen 2.800 N/A ARG 25.A NE GLY 34.A O no hydrogen 2.850 N/A ARG 25.A NH2 GLY 34.A O no hydrogen 3.351 N/A TYR 26.A N GLU 35.A O no hydrogen 3.047 N/A ASP 27.A N HIS 6.A O no hydrogen 2.824 N/A GLN 30.A N ASP 27.A O no hydrogen 2.865 N/A ASN 32.A N ASP 27.A OD2 no hydrogen 3.012 N/A THR 33.A N ASP 27.A OD1 no hydrogen 3.415 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.147 N/A THR 33.A OG1 ASP 31.A OD2 no hydrogen 2.960 N/A VAL 37.A N CYS 24.A O no hydrogen 2.739 N/A ALA 38.A N MET 83.A O no hydrogen 3.015 N/A VAL 39.A N GLU 22.A O no hydrogen 2.817 N/A LYS 40.A N LEU 81.A O no hydrogen 2.832 N/A LYS 40.A NZ GLU 56.A OE1 no hydrogen 3.552 N/A LYS 40.A NZ GLU 56.A OE2 no hydrogen 2.701 N/A LYS 40.A NZ ASP 148.A OD1 no hydrogen 2.933 N/A LYS 41.A N SER 20.A O no hydrogen 2.910 N/A GLN 43.A N PHE 18.A O no hydrogen 2.731 N/A LEU 50.A N THR 46.A O no hydrogen 2.649 N/A ARG 51.A N GLU 47.A O no hydrogen 3.111 N/A ASP 52.A N GLU 48.A O no hydrogen 3.157 N/A PHE 53.A N HIS 49.A O no hydrogen 2.836 N/A GLU 54.A N LEU 50.A O no hydrogen 2.922 N/A ARG 55.A N ARG 51.A O no hydrogen 3.223 N/A GLU 56.A N ASP 52.A O no hydrogen 2.876 N/A ILE 57.A N PHE 53.A O no hydrogen 2.937 N/A GLU 58.A N GLU 54.A O no hydrogen 3.149 N/A ILE 59.A N ARG 55.A O no hydrogen 2.818 N/A LEU 60.A N GLU 56.A O no hydrogen 2.965 N/A LYS 61.A N ILE 57.A O no hydrogen 3.116 N/A SER 62.A N GLU 58.A O no hydrogen 3.155 N/A SER 62.A N ILE 59.A O no hydrogen 3.068 N/A SER 62.A OG GLU 58.A O no hydrogen 3.531 N/A SER 62.A OG ILE 59.A O no hydrogen 2.654 N/A SER 62.A OG TYR 126.A OH no hydrogen 2.583 N/A LEU 63.A N LEU 60.A O no hydrogen 3.109 N/A GLN 64.A N TYR 120.A OH no hydrogen 3.073 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 2.983 N/A ILE 68.A N HIS 65.A O no hydrogen 3.191 N/A VAL 69.A N ILE 146.A O no hydrogen 2.886 N/A LYS 70.A N GLU 84.A OE1 no hydrogen 2.833 N/A LYS 72.A N ILE 82.A O no hydrogen 2.826 N/A LYS 72.A NZ GLU 35.A OE1 no hydrogen 2.885 N/A LYS 72.A NZ GLU 35.A OE2 no hydrogen 3.154 N/A GLY 73.A N ILE 82.A O no hydrogen 3.153 N/A CYS 75.A N LYS 80.A O no hydrogen 2.890 N/A CYS 75.A SG PHE 2.A O no hydrogen 3.536 N/A ASN 78.A ND2 ASN 78.A O no hydrogen 2.752 N/A LYS 80.A N CYS 75.A O no hydrogen 3.061 N/A LYS 80.A NZ GLU 4.A OE1 no hydrogen 3.134 N/A LYS 80.A NZ GLU 4.A OE2 no hydrogen 2.886 N/A LEU 81.A N LYS 40.A O no hydrogen 2.834 N/A ILE 82.A N GLY 73.A O no hydrogen 2.788 N/A MET 83.A N ALA 38.A O no hydrogen 2.841 N/A GLU 84.A N LYS 70.A O no hydrogen 3.073 N/A GLY 89.A N LEU 86.A O no hydrogen 3.175 N/A LEU 91.A N ILE 136.A O no hydrogen 2.673 N/A ARG 92.A N THR 133.A O no hydrogen 3.307 N/A ASP 93.A N SER 90.A OG no hydrogen 3.305 N/A TYR 94.A N SER 90.A O no hydrogen 2.932 N/A LEU 95.A N LEU 91.A O no hydrogen 2.815 N/A GLN 96.A N ARG 92.A O no hydrogen 3.233 N/A GLN 96.A NE2 ILE 203.A O no hydrogen 2.897 N/A LYS 97.A N ASP 93.A O no hydrogen 3.154 N/A HIS 98.A N TYR 94.A O no hydrogen 2.869 N/A ARG 101.A N HIS 98.A O no hydrogen 2.750 N/A ILE 102.A N HIS 98.A O no hydrogen 3.073 N/A LYS 106.A N ASP 103.A OD2 no hydrogen 3.159 N/A LYS 106.A NZ ASN 142.A OD1 no hydrogen 1.964 N/A LEU 107.A N ASP 103.A O no hydrogen 3.086 N/A LEU 108.A N HIS 104.A O no hydrogen 3.059 N/A GLN 109.A N ILE 105.A O no hydrogen 3.166 N/A TYR 110.A N LYS 106.A O no hydrogen 3.013 N/A TYR 110.A OH GLU 141.A O no hydrogen 2.788 N/A THR 111.A N LEU 107.A O no hydrogen 2.979 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.691 N/A SER 112.A N LEU 108.A O no hydrogen 2.993 N/A SER 112.A OG ASP 276.A OD1 no hydrogen 2.710 N/A GLN 113.A N GLN 109.A O no hydrogen 3.139 N/A GLN 113.A NE2 ASN 142.A O no hydrogen 2.740 N/A ILE 114.A N TYR 110.A O no hydrogen 2.964 N/A CYS 115.A N THR 111.A O no hydrogen 3.120 N/A CYS 115.A SG THR 111.A O no hydrogen 3.493 N/A LYS 116.A N SER 112.A O no hydrogen 3.107 N/A LYS 116.A NZ SER 112.A OG no hydrogen 3.289 N/A LYS 116.A NZ ASP 276.A OD2 no hydrogen 3.339 N/A GLY 117.A N GLN 113.A O no hydrogen 3.123 N/A MET 118.A N ILE 114.A O no hydrogen 2.935 N/A GLU 119.A N CYS 115.A O no hydrogen 2.837 N/A TYR 120.A N LYS 116.A O no hydrogen 3.179 N/A LEU 121.A N GLY 117.A O no hydrogen 3.155 N/A GLY 122.A N MET 118.A O no hydrogen 3.020 N/A THR 123.A N GLU 119.A O no hydrogen 3.136 N/A THR 123.A N TYR 120.A O no hydrogen 3.212 N/A LYS 124.A N LEU 121.A O no hydrogen 2.970 N/A LYS 124.A NZ SER 62.A O no hydrogen 2.922 N/A ARG 125.A N GLY 122.A O no hydrogen 3.028 N/A ARG 125.A NH1 GLU 160.A OE1 no hydrogen 2.814 N/A ARG 125.A NH1 GLU 160.A OE2 no hydrogen 3.452 N/A ARG 125.A NH2 PRO 156.A O no hydrogen 2.990 N/A ARG 125.A NH2 GLU 160.A OE1 no hydrogen 2.914 N/A TYR 126.A N LEU 121.A O no hydrogen 3.038 N/A TYR 126.A OH SER 62.A OG no hydrogen 2.583 N/A ILE 127.A N LYS 153.A O no hydrogen 2.807 N/A HIS 128.A N ASP 188.A OD2 no hydrogen 2.915 N/A ARG 129.A N ASP 188.A OD1 no hydrogen 3.062 N/A ARG 129.A NH1 LEU 151.A O no hydrogen 3.040 N/A ARG 129.A NH1 GLU 164.A OE1 no hydrogen 3.169 N/A ARG 129.A NH1 GLU 164.A OE2 no hydrogen 3.392 N/A ARG 129.A NH2 GLU 164.A OE1 no hydrogen 2.870 N/A THR 133.A N GLU 198.A OE2 no hydrogen 3.122 N/A THR 133.A OG1 GLU 198.A OE1 no hydrogen 2.784 N/A ASN 135.A N ALA 132.A O no hydrogen 2.740 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.655 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 2.975 N/A ILE 136.A N THR 133.A O no hydrogen 3.199 N/A LEU 137.A N LYS 145.A O no hydrogen 2.713 N/A VAL 138.A N GLY 89.A O no hydrogen 2.717 N/A GLU 139.A N ARG 143.A O no hydrogen 2.955 N/A ASN 140.A N ARG 143.A O no hydrogen 3.463 N/A ASN 142.A N ASN 140.A OD1 no hydrogen 2.701 N/A ARG 143.A N ASN 140.A O no hydrogen 3.176 N/A VAL 144.A N GLN 113.A OE1 no hydrogen 2.800 N/A LYS 145.A N LEU 137.A O no hydrogen 2.739 N/A LYS 145.A NZ GLU 84.A OE1 no hydrogen 2.875 N/A ILE 146.A N ASN 67.A O no hydrogen 2.731 N/A GLY 147.A N ASN 135.A O no hydrogen 2.814 N/A GLY 150.A N ASP 148.A OD2 no hydrogen 3.121 N/A THR 152.A N PHE 149.A O no hydrogen 3.195 N/A THR 152.A OG1 HIS 128.A O no hydrogen 3.417 N/A THR 152.A OG1 PHE 149.A O no hydrogen 3.506 N/A LYS 153.A N ILE 127.A O no hydrogen 2.986 N/A LEU 155.A N ARG 125.A O no hydrogen 2.947 N/A LYS 159.A N PRO 156.A O no hydrogen 3.422 N/A VAL 162.A N SER 181.A O no hydrogen 3.251 N/A ILE 170.A N SER 168.A O no hydrogen 2.710 N/A TRP 172.A N PRO 169.A O no hydrogen 2.959 N/A TRP 172.A NE1 GLU 198.A OE2 no hydrogen 3.049 N/A TYR 173.A N ILE 170.A O no hydrogen 3.305 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.637 N/A SER 177.A N ALA 174.A O no hydrogen 2.927 N/A SER 177.A OG LYS 182.A O no hydrogen 2.619 N/A LEU 178.A N ALA 174.A O no hydrogen 3.193 N/A LEU 178.A N PRO 175.A O no hydrogen 3.102 N/A THR 179.A N PRO 175.A O no hydrogen 2.937 N/A THR 179.A OG1 PRO 175.A O no hydrogen 2.858 N/A GLU 180.A N GLU 176.A O no hydrogen 3.048 N/A LYS 182.A N GLU 176.A O no hydrogen 3.124 N/A SER 184.A N SER 187.A OG no hydrogen 2.786 N/A SER 187.A N SER 184.A O no hydrogen 3.035 N/A SER 187.A N SER 184.A OG no hydrogen 3.370 N/A SER 187.A OG SER 184.A O no hydrogen 2.837 N/A ASP 188.A N SER 184.A O no hydrogen 3.054 N/A VAL 189.A N VAL 185.A O no hydrogen 2.925 N/A TRP 190.A N ALA 186.A O no hydrogen 3.125 N/A SER 191.A N SER 187.A O no hydrogen 3.110 N/A SER 191.A OG TRP 172.A O no hydrogen 2.570 N/A SER 191.A OG SER 187.A O no hydrogen 3.345 N/A PHE 192.A N ASP 188.A O no hydrogen 2.819 N/A GLY 193.A N VAL 189.A O no hydrogen 3.104 N/A GLY 193.A N TRP 190.A O no hydrogen 3.029 N/A VAL 194.A N TRP 190.A O no hydrogen 3.392 N/A VAL 195.A N SER 191.A O no hydrogen 2.929 N/A LEU 196.A N PHE 192.A O no hydrogen 2.918 N/A TYR 197.A N GLY 193.A O no hydrogen 3.016 N/A TYR 197.A OH LYS 207.A O no hydrogen 2.587 N/A GLU 198.A N VAL 194.A O no hydrogen 2.768 N/A LEU 199.A N VAL 195.A O no hydrogen 2.978 N/A PHE 200.A N LEU 196.A O no hydrogen 3.207 N/A THR 201.A N TYR 197.A O no hydrogen 3.139 N/A THR 201.A N GLU 198.A O no hydrogen 2.994 N/A THR 201.A OG1 GLU 198.A O no hydrogen 2.532 N/A TYR 202.A N LEU 199.A O no hydrogen 3.167 N/A TYR 202.A OH ILE 102.A O no hydrogen 2.815 N/A ILE 203.A N THR 201.A OG1 no hydrogen 3.305 N/A GLU 204.A N THR 201.A O no hydrogen 3.178 N/A LYS 207.A N GLU 204.A O no hydrogen 2.768 N/A ALA 211.A N SER 208.A OG no hydrogen 3.289 N/A GLU 212.A N SER 208.A O no hydrogen 2.882 N/A PHE 213.A N PRO 209.A O no hydrogen 2.967 N/A MET 214.A N PRO 210.A O no hydrogen 2.923 N/A ARG 215.A N ALA 211.A O no hydrogen 3.131 N/A ARG 215.A NH1 SER 206.A O no hydrogen 3.209 N/A ARG 215.A NH2 SER 206.A O no hydrogen 3.493 N/A MET 216.A N GLU 212.A O no hydrogen 3.064 N/A ILE 217.A N PHE 213.A O no hydrogen 2.749 N/A GLY 218.A N MET 214.A O no hydrogen 2.679 N/A LYS 221.A NZ ILE 217.A O no hydrogen 3.559 N/A HIS 229.A N MET 225.A O no hydrogen 2.901 N/A LEU 230.A N ILE 226.A O no hydrogen 2.997 N/A ILE 231.A N VAL 227.A O no hydrogen 2.883 N/A GLU 232.A N PHE 228.A O no hydrogen 3.290 N/A LEU 233.A N HIS 229.A O no hydrogen 3.012 N/A LEU 234.A N LEU 230.A O no hydrogen 3.078 N/A LYS 235.A N ILE 231.A O no hydrogen 3.028 N/A ASN 236.A N GLU 232.A O no hydrogen 3.038 N/A ASN 237.A N LEU 234.A O no hydrogen 3.148 N/A GLY 238.A N LEU 233.A O no hydrogen 2.730 N/A ARG 239.A NE TRP 258.A O no hydrogen 2.878 N/A ARG 239.A NH1 LEU 234.A O no hydrogen 3.069 N/A ARG 239.A NH1 GLY 238.A O no hydrogen 3.033 N/A ARG 239.A NH2 TRP 258.A O no hydrogen 2.818 N/A ARG 239.A NH2 ASN 260.A OD1 no hydrogen 2.774 N/A ARG 242.A NE CYS 246.A O no hydrogen 2.899 N/A CYS 246.A N PRO 243.A O no hydrogen 3.022 N/A CYS 246.A SG PRO 247.A O no hydrogen 3.382 N/A ILE 250.A N PRO 247.A O no hydrogen 2.922 N/A TYR 251.A N PRO 247.A O no hydrogen 3.101 N/A TYR 251.A OH LEU 240.A O no hydrogen 2.830 N/A MET 252.A N ASP 248.A O no hydrogen 3.123 N/A ILE 253.A N ILE 250.A O no hydrogen 3.031 N/A MET 254.A N ILE 250.A O no hydrogen 3.235 N/A THR 255.A N TYR 251.A O no hydrogen 2.901 N/A THR 255.A OG1 TYR 251.A O no hydrogen 3.276 N/A THR 255.A OG1 MET 252.A O no hydrogen 2.907 N/A GLU 256.A N MET 252.A O no hydrogen 2.965 N/A CYS 257.A N ILE 253.A O no hydrogen 3.127 N/A CYS 257.A N MET 254.A O no hydrogen 3.027 N/A CYS 257.A SG ILE 253.A O no hydrogen 3.285 N/A TRP 258.A N MET 254.A O no hydrogen 3.044 N/A ASN 259.A ND2 GLN 264.A OE1 no hydrogen 3.044 N/A ASN 260.A ND2 LEU 234.A O no hydrogen 3.171 N/A ASN 261.A N ASN 259.A OD1 no hydrogen 2.846 N/A GLN 264.A N ASN 261.A O no hydrogen 2.906 N/A ARG 265.A N VAL 262.A O no hydrogen 3.470 N/A ARG 265.A NE ASN 259.A O no hydrogen 2.763 N/A ARG 265.A NH1 GLU 176.A OE2 no hydrogen 2.919 N/A ARG 265.A NH1 ALA 186.A O no hydrogen 3.010 N/A ARG 265.A NH2 GLU 176.A OE1 no hydrogen 3.023 N/A ARG 265.A NH2 ASN 259.A O no hydrogen 3.007 N/A ASP 270.A N SER 267.A OG no hydrogen 3.206 N/A LEU 271.A N SER 267.A O no hydrogen 2.958 N/A ALA 272.A N PHE 268.A O no hydrogen 2.961 N/A LEU 273.A N ARG 269.A O no hydrogen 3.167 N/A ARG 274.A N ASP 270.A O no hydrogen 2.965 N/A ARG 274.A NH1 GLU 256.A OE1 no hydrogen 2.623 N/A ARG 274.A NH2 GLU 256.A OE2 no hydrogen 2.988 N/A VAL 275.A N LEU 271.A O no hydrogen 2.986 N/A ASP 276.A N ALA 272.A O no hydrogen 2.813 N/A GLN 277.A N LEU 273.A O no hydrogen 3.042 N/A ILE 278.A N ARG 274.A O no hydrogen 3.071 N/A ARG 279.A N VAL 275.A O no hydrogen 2.854 N/A ARG 279.A NH1 ASP 276.A OD1 no hydrogen 3.079 N/A ASP 280.A N ASP 276.A O no hydrogen 3.089 N/A ASN 281.A N GLN 277.A O no hydrogen 3.097 N/A MET 282.A N ILE 278.A O no hydrogen 3.098 N/A MET 282.A N ARG 279.A O no hydrogen 3.113 N/A ALA 283.A N ASP 280.A O no hydrogen 3.127 N/A GLY 284.A N ASP 280.A O no hydrogen 3.295 N/A