Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tht_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 ASP 205.A O no hydrogen 2.819 N/A ARG 4.A NH2 ASP 205.A O no hydrogen 2.689 N/A HIS 5.A N LEU 2.A O no hydrogen 2.881 N/A GLU 6.A N LEU 2.A O no hydrogen 3.370 N/A GLY 7.A N ARG 4.A O no hydrogen 3.317 N/A ILE 8.A N LEU 3.A O no hydrogen 3.045 N/A VAL 11.A N PHE 92.A O no hydrogen 2.816 N/A TYR 13.A OH GLU 94.A OE2 no hydrogen 2.325 N/A THR 15.A OG1 SER 17.A O no hydrogen 2.675 N/A THR 15.A OG1 VAL 93.A O no hydrogen 3.109 N/A LEU 18.A N ALA 58.A O no hydrogen 2.854 N/A VAL 19.A N ASN 91.A O no hydrogen 2.811 N/A VAL 20.A N SER 56.A O no hydrogen 2.674 N/A ALA 21.A N TYR 89.A O no hydrogen 2.853 N/A ASN 22.A N PRO 54.A O no hydrogen 2.802 N/A GLY 23.A N VAL 20.A O no hydrogen 3.091 N/A GLY 26.A N LYS 53.A O no hydrogen 2.865 N/A ASN 27.A N GLY 24.A O no hydrogen 3.130 N/A ASN 27.A ND2 ASN 22.A O no hydrogen 2.643 N/A GLY 28.A N LEU 25.A O no hydrogen 2.996 N/A VAL 29.A N GLY 24.A O no hydrogen 3.248 N/A ARG 31.A NH1 LEU 47.A O no hydrogen 3.068 N/A ARG 31.A NH2 LEU 47.A O no hydrogen 2.905 N/A GLN 33.A N SER 30.A O no hydrogen 3.016 N/A GLN 33.A NE2 VAL 79.A O no hydrogen 2.629 N/A LEU 34.A N SER 30.A O no hydrogen 3.093 N/A LEU 35.A N ARG 31.A O no hydrogen 3.143 N/A LEU 38.A N LEU 34.A O no hydrogen 2.926 N/A GLU 39.A N LEU 35.A O no hydrogen 3.035 N/A CYS 41.A N LEU 38.A O no hydrogen 3.052 N/A CYS 41.A SG THR 72.A OG1 no hydrogen 3.230 N/A GLY 42.A N GLU 39.A O no hydrogen 3.070 N/A LEU 43.A N GLU 65.A OE2 no hydrogen 3.280 N/A ALA 46.A N ARG 59.A O no hydrogen 3.235 N/A LEU 48.A N PHE 57.A O no hydrogen 2.658 N/A LYS 53.A NZ GLU 6.A OE2 no hydrogen 2.443 N/A LYS 53.A NZ LYS 99.A O no hydrogen 3.132 N/A TYR 55.A OH GLU 6.A OE2 no hydrogen 2.800 N/A SER 56.A N VAL 20.A O no hydrogen 3.159 N/A SER 56.A OG GLY 23.A O no hydrogen 2.634 N/A PHE 57.A N LEU 48.A O no hydrogen 2.614 N/A ALA 58.A N LEU 18.A O no hydrogen 2.922 N/A ARG 59.A N ALA 46.A O no hydrogen 2.900 N/A TYR 60.A N GLN 16.A O no hydrogen 2.924 N/A TYR 60.A OH LEU 38.A O no hydrogen 2.713 N/A ARG 61.A N LEU 43.A O no hydrogen 3.110 N/A ARG 61.A NE ASP 45.A OD1 no hydrogen 3.024 N/A ARG 61.A NE ASP 45.A OD2 no hydrogen 3.309 N/A ARG 61.A NH2 ASP 45.A OD1 no hydrogen 3.367 N/A THR 62.A N GLU 65.A OE1 no hydrogen 3.215 N/A GLU 65.A N THR 62.A OG1 no hydrogen 3.154 N/A SER 66.A N THR 62.A O no hydrogen 3.406 N/A SER 66.A OG THR 15.A O no hydrogen 2.785 N/A SER 66.A OG GLN 16.A O no hydrogen 3.552 N/A LYS 67.A N THR 63.A O no hydrogen 3.250 N/A LYS 67.A NZ GLU 64.A OE1 no hydrogen 3.481 N/A ARG 68.A N GLU 64.A O no hydrogen 3.141 N/A ARG 68.A NE CYS 41.A O no hydrogen 3.248 N/A ALA 69.A N GLU 65.A O no hydrogen 3.155 N/A TYR 70.A N SER 66.A O no hydrogen 2.928 N/A VAL 71.A N LYS 67.A O no hydrogen 3.073 N/A THR 72.A N ARG 68.A O no hydrogen 2.851 N/A THR 72.A N ALA 69.A O no hydrogen 3.253 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.625 N/A LEU 73.A N ALA 69.A O no hydrogen 2.789 N/A GLY 75.A N LEU 88.A O no hydrogen 2.684 N/A LYS 76.A N LEU 73.A O no hydrogen 2.847 N/A VAL 78.A N ILE 86.A O no hydrogen 2.880 N/A ASP 80.A N GLN 84.A O no hydrogen 3.247 N/A ASP 81.A N GLY 28.A O no hydrogen 3.233 N/A LEU 82.A N ASP 80.A OD2 no hydrogen 3.159 N/A GLY 83.A N ASP 80.A O no hydrogen 2.987 N/A GLN 84.A N ASP 80.A OD2 no hydrogen 2.731 N/A ILE 86.A N VAL 78.A O no hydrogen 2.971 N/A THR 87.A OG1 TYR 89.A OH no hydrogen 2.979 N/A LEU 88.A N LYS 76.A O no hydrogen 2.774 N/A TYR 89.A OH THR 87.A OG1 no hydrogen 2.979 N/A ASN 91.A N VAL 19.A O no hydrogen 3.009 N/A VAL 93.A N SER 17.A O no hydrogen 3.210 N/A TRP 98.A NE1 GLU 100.A OE2 no hydrogen 2.799 N/A LYS 99.A N GLU 6.A O no hydrogen 2.885 N/A LYS 99.A NZ HIS 5.A O no hydrogen 3.257 N/A ARG 102.A NE ASP 255.A OD1 no hydrogen 3.458 N/A ARG 102.A NH1 GLU 100.A OE1 no hydrogen 2.768 N/A ARG 102.A NH1 LEU 101.A O no hydrogen 2.832 N/A ARG 102.A NH2 GLU 100.A OE1 no hydrogen 2.866 N/A ARG 102.A NH2 ASP 255.A OD1 no hydrogen 3.192 N/A GLN 104.A NE2 ARG 102.A O no hydrogen 3.027 N/A LEU 110.A N PRO 107.A O no hydrogen 3.063 N/A MET 111.A N VAL 220.A O no hydrogen 3.072 N/A VAL 113.A N LEU 218.A O no hydrogen 3.080 N/A ILE 116.A N ARG 216.A O no hydrogen 2.959 N/A SER 118.A N GLU 121.A OE2 no hydrogen 2.726 N/A GLU 121.A N SER 118.A OG no hydrogen 3.151 N/A GLU 122.A N SER 118.A O no hydrogen 2.985 N/A LYS 123.A N SER 119.A O no hydrogen 2.789 N/A MET 124.A N GLU 120.A O no hydrogen 2.804 N/A LEU 125.A N GLU 121.A O no hydrogen 3.381 N/A LEU 126.A N GLU 122.A O no hydrogen 3.087 N/A GLU 127.A N LYS 123.A O no hydrogen 2.998 N/A SER 128.A OG MET 124.A O no hydrogen 2.980 N/A SER 128.A OG LEU 125.A O no hydrogen 2.797 N/A ARG 131.A NH1 GLY 173.A O no hydrogen 3.512 N/A LYS 134.A N ILE 165.A O no hydrogen 2.900 N/A CYS 143.A N PRO 140.A O no hydrogen 2.973 N/A CYS 143.A SG PRO 140.A O no hydrogen 3.035 N/A GLU 144.A N ASP 141.A O no hydrogen 3.030 N/A LEU 147.A N CYS 143.A O no hydrogen 2.839 N/A GLU 148.A N GLU 144.A O no hydrogen 3.279 N/A TRP 150.A N PHE 146.A O no hydrogen 2.870 N/A LEU 151.A N LEU 147.A O no hydrogen 3.009 N/A ARG 152.A N GLU 148.A O no hydrogen 3.229 N/A LYS 153.A N LYS 149.A O no hydrogen 2.755 N/A GLY 154.A N TRP 150.A O no hydrogen 2.982 N/A LYS 157.A N GLU 187.A OE2 no hydrogen 2.692 N/A HIS 158.A N GLU 187.A OE2 no hydrogen 2.705 N/A LYS 159.A NZ GLU 144.A OE1 no hydrogen 3.258 N/A ASP 161.A N ARG 273.A O no hydrogen 3.322 N/A GLN 162.A NE2 THR 164.A OG1 no hydrogen 2.988 N/A THR 164.A N THR 271.A O no hydrogen 2.885 N/A ILE 165.A N LYS 134.A O no hydrogen 2.636 N/A ASN 166.A N SER 269.A O no hydrogen 2.978 N/A GLN 167.A N ARG 132.A O no hydrogen 3.218 N/A TYR 168.A N ARG 267.A O no hydrogen 2.544 N/A GLU 169.A N GLN 172.A OE1 no hydrogen 2.726 N/A GLN 172.A N GLU 169.A O no hydrogen 2.795 N/A HIS 177.A N HIS 231.A O no hydrogen 3.072 N/A HIS 177.A ND1 PRO 175.A O no hydrogen 2.947 N/A SER 182.A N ASP 289.A OD1 no hydrogen 3.387 N/A SER 182.A OG ASP 289.A OD1 no hydrogen 3.491 N/A SER 182.A OG ASP 289.A OD2 no hydrogen 2.727 N/A ALA 183.A N THR 180.A O no hydrogen 3.290 N/A PHE 184.A N THR 180.A O no hydrogen 3.411 N/A GLU 185.A N LYS 274.A O no hydrogen 2.882 N/A GLU 187.A N GLU 185.A O no hydrogen 2.865 N/A ILE 188.A N MET 221.A O no hydrogen 3.380 N/A VAL 189.A N PHE 272.A O no hydrogen 3.068 N/A SER 190.A N LEU 219.A O no hydrogen 2.565 N/A SER 190.A OG THR 271.A OG1 no hydrogen 3.132 N/A LEU 191.A N PHE 270.A O no hydrogen 3.053 N/A SER 192.A N SER 217.A O no hydrogen 2.970 N/A LEU 193.A N THR 268.A O no hydrogen 3.042 N/A GLY 194.A N GLU 122.A OE2 no hydrogen 3.333 N/A SER 195.A OG GLU 196.A O no hydrogen 3.546 N/A ILE 197.A N LEU 213.A O no hydrogen 2.964 N/A MET 199.A N VAL 211.A O no hydrogen 2.587 N/A ASP 200.A N GLY 232.A O no hydrogen 2.652 N/A PHE 201.A N VAL 209.A O no hydrogen 2.823 N/A LYS 202.A N THR 230.A O no hydrogen 2.865 N/A HIS 203.A N ILE 207.A O no hydrogen 3.001 N/A GLY 206.A N HIS 203.A O no hydrogen 2.823 N/A ILE 207.A N ASP 205.A OD1 no hydrogen 3.087 N/A VAL 209.A N PHE 201.A O no hydrogen 2.833 N/A VAL 211.A N MET 199.A O no hydrogen 2.764 N/A MET 212.A N GLY 250.A O no hydrogen 2.913 N/A LEU 213.A N ILE 197.A O no hydrogen 2.693 N/A ARG 215.A NE GLU 122.A OE2 no hydrogen 3.155 N/A ARG 215.A NH2 GLU 122.A OE1 no hydrogen 3.170 N/A ARG 216.A N SER 192.A O no hydrogen 2.734 N/A ARG 216.A NH1 GLU 122.A OE1 no hydrogen 3.483 N/A SER 217.A OG PRO 214.A O no hydrogen 2.492 N/A LEU 218.A N VAL 113.A O no hydrogen 2.929 N/A LEU 219.A N SER 190.A O no hydrogen 2.645 N/A VAL 220.A N MET 111.A O no hydrogen 2.835 N/A MET 221.A N ILE 188.A O no hydrogen 2.956 N/A THR 222.A N GLY 109.A O no hydrogen 2.764 N/A THR 222.A OG1 GLY 109.A O no hydrogen 3.043 N/A GLY 223.A N ASP 186.A OD2 no hydrogen 2.751 N/A SER 225.A N PRO 108.A O no hydrogen 2.929 N/A SER 225.A OG THR 222.A O no hydrogen 2.670 N/A ARG 226.A N GLY 223.A O no hydrogen 3.110 N/A ARG 226.A NE ARG 226.A O no hydrogen 2.870 N/A ARG 226.A NH1 PHE 184.A O no hydrogen 3.188 N/A ARG 226.A NH1 GLU 185.A O no hydrogen 2.539 N/A ARG 226.A NH2 ARG 226.A O no hydrogen 3.549 N/A TYR 227.A N GLY 223.A O no hydrogen 2.934 N/A LEU 228.A N GLU 224.A O no hydrogen 2.997 N/A TRP 229.A N GLU 224.A O no hydrogen 3.272 N/A TRP 229.A NE1 GLU 224.A OE2 no hydrogen 2.663 N/A THR 230.A OG1 HIS 177.A O no hydrogen 3.387 N/A HIS 231.A N HIS 177.A O no hydrogen 2.968 N/A HIS 231.A NE2 ASP 179.A OD2 no hydrogen 3.123 N/A GLY 232.A N ASP 200.A O no hydrogen 2.893 N/A ILE 233.A N ILE 174.A O no hydrogen 2.865 N/A THR 234.A N ASP 200.A OD2 no hydrogen 3.287 N/A THR 234.A OG1 ASP 200.A OD2 no hydrogen 3.264 N/A ARG 236.A NH2 ASP 239.A OD2 no hydrogen 3.510 N/A ASP 239.A N SER 262.A O no hydrogen 3.031 N/A VAL 241.A N THR 260.A O no hydrogen 2.963 N/A ALA 243.A N ASP 258.A O no hydrogen 3.157 N/A GLU 245.A N GLU 245.A OE1 no hydrogen 3.362 N/A SER 246.A N SER 244.A O no hydrogen 2.611 N/A SER 249.A N GLU 114.A OE1 no hydrogen 3.356 N/A THR 253.A OG1 GLN 242.A OE1 no hydrogen 3.166 N/A SER 254.A OG ASP 255.A OD1 no hydrogen 3.262 N/A THR 260.A N VAL 241.A O no hydrogen 3.117 N/A THR 260.A OG1 LEU 261.A O no hydrogen 3.491 N/A SER 262.A N ASP 239.A O no hydrogen 2.819 N/A SER 262.A OG ASP 239.A O no hydrogen 3.302 N/A ARG 264.A N LYS 237.A O no hydrogen 3.112 N/A ARG 264.A NE ASP 239.A OD1 no hydrogen 2.551 N/A ARG 264.A NH1 THR 234.A O no hydrogen 3.498 N/A ARG 264.A NH1 ASP 239.A OD1 no hydrogen 3.015 N/A ARG 264.A NH1 ASP 239.A OD2 no hydrogen 2.503 N/A ARG 264.A NH2 THR 234.A O no hydrogen 2.926 N/A ARG 267.A N TYR 168.A O no hydrogen 2.927 N/A ARG 267.A NH2 SER 192.A OG no hydrogen 2.779 N/A THR 268.A N LEU 193.A O no hydrogen 2.958 N/A SER 269.A N ASN 166.A O no hydrogen 2.514 N/A PHE 270.A N LEU 191.A O no hydrogen 2.988 N/A THR 271.A N THR 164.A O no hydrogen 2.920 N/A THR 271.A OG1 SER 190.A OG no hydrogen 3.132 N/A PHE 272.A N VAL 189.A O no hydrogen 2.704 N/A ARG 273.A N GLN 162.A O no hydrogen 3.133 N/A ARG 273.A NE ASP 179.A OD1 no hydrogen 2.913 N/A ARG 273.A NH1 GLN 162.A OE1 no hydrogen 2.966 N/A ARG 273.A NH1 THR 164.A OG1 no hydrogen 3.067 N/A LYS 274.A NZ HIS 158.A ND1 no hydrogen 3.197 N/A VAL 275.A N ASP 161.A OD2 no hydrogen 2.741 N/A ARG 276.A N ALA 183.A O no hydrogen 3.170 N/A ARG 276.A NE HIS 181.A O no hydrogen 3.334 N/A ARG 276.A NE PHE 184.A O no hydrogen 3.537 N/A CYS 280.A N SER 290.A OG no hydrogen 3.310 N/A CYS 280.A SG HIS 181.A ND1 no hydrogen 3.870 N/A CYS 282.A SG HIS 181.A ND1 no hydrogen 3.830 N/A CYS 282.A SG GLN 291.A OE1 no hydrogen 3.573 N/A VAL 287.A N TYR 284.A O no hydrogen 2.864 N/A CYS 288.A N TYR 284.A O no hydrogen 3.121 N/A CYS 288.A SG CYS 280.A O no hydrogen 3.931 N/A CYS 288.A SG GLN 291.A OE1 no hydrogen 3.468 N/A GLN 291.A NE2 CYS 282.A O no hydrogen 3.248 N/A ARG 292.A N CYS 288.A O no hydrogen 3.168 N/A ARG 292.A N ASP 289.A O no hydrogen 3.356 N/A ARG 292.A NH1 PRO 285.A O no hydrogen 2.757 N/A LYS 293.A N SER 290.A O no hydrogen 3.322 N/A PHE 298.A N ASN 295.A OD1 no hydrogen 2.947 N/A GLN 299.A N ASN 295.A O no hydrogen 2.804 N/A GLY 300.A N LEU 296.A O no hydrogen 2.892 N/A LEU 301.A N TYR 297.A O no hydrogen 3.257 N/A GLU 302.A N GLN 299.A O no hydrogen 2.498 N/A