Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rdt_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N GLU 2.A OE2 no hydrogen 2.925 N/A ASP 5.A N GLU 2.A O no hydrogen 2.909 N/A LEU 6.A N GLU 2.A O no hydrogen 3.188 N/A ARG 7.A N SER 3.A O no hydrogen 2.915 N/A ARG 7.A NH1 GLN 196.A OE1 no hydrogen 3.016 N/A ARG 7.A NH2 GLN 196.A OE1 no hydrogen 3.473 N/A ALA 8.A N ALA 4.A O no hydrogen 3.013 N/A LEU 9.A N ASP 5.A O no hydrogen 2.856 N/A ALA 10.A N LEU 6.A O no hydrogen 2.997 N/A LYS 11.A N ARG 7.A O no hydrogen 2.997 N/A LYS 11.A NZ ASP 15.A OD1 no hydrogen 2.770 N/A LYS 11.A NZ ASP 15.A OD2 no hydrogen 2.626 N/A HIS 12.A N ALA 8.A O no hydrogen 2.904 N/A HIS 12.A NE2 SER 78.A O no hydrogen 2.562 N/A LEU 13.A N LEU 9.A O no hydrogen 3.099 N/A TYR 14.A N ALA 10.A O no hydrogen 3.186 N/A ASP 15.A N LYS 11.A O no hydrogen 2.985 N/A SER 16.A N HIS 12.A O no hydrogen 3.134 N/A SER 16.A OG LEU 13.A O no hydrogen 3.356 N/A SER 16.A OG SER 78.A OG no hydrogen 2.773 N/A TYR 17.A N LEU 13.A O no hydrogen 2.951 N/A TYR 17.A OH ASP 157.A OD1 no hydrogen 2.747 N/A ILE 18.A N TYR 14.A O no hydrogen 3.025 N/A LYS 19.A N ASP 15.A O no hydrogen 3.234 N/A SER 20.A N SER 16.A O no hydrogen 2.853 N/A SER 20.A OG SER 16.A O no hydrogen 2.677 N/A PHE 21.A N TYR 17.A O no hydrogen 2.944 N/A LYS 25.A N ASP 157.A OD1 no hydrogen 2.777 N/A LYS 25.A NZ LEU 155.A O no hydrogen 2.587 N/A ALA 26.A N ASP 157.A OD2 no hydrogen 2.974 N/A LYS 27.A N THR 24.A OG1 no hydrogen 3.377 N/A LYS 27.A NZ PRO 22.A O no hydrogen 2.949 N/A ALA 28.A N THR 24.A O no hydrogen 3.191 N/A ARG 29.A N LYS 25.A O no hydrogen 2.922 N/A ALA 30.A N ALA 26.A O no hydrogen 3.224 N/A ILE 31.A N LYS 27.A O no hydrogen 2.880 N/A LEU 32.A N ALA 28.A O no hydrogen 2.713 N/A THR 33.A N ARG 29.A O no hydrogen 2.996 N/A THR 33.A OG1 ARG 29.A O no hydrogen 2.589 N/A THR 33.A OG1 ALA 30.A O no hydrogen 2.824 N/A GLY 34.A N ALA 30.A O no hydrogen 2.762 N/A LYS 35.A N ALA 30.A O no hydrogen 3.007 N/A THR 36.A OG1 ASP 38.A OD1 no hydrogen 2.999 N/A PHE 42.A N GLN 121.A O no hydrogen 2.886 N/A ILE 44.A N PHE 123.A O no hydrogen 3.224 N/A TYR 45.A N SER 49.A OG no hydrogen 2.847 N/A ASP 46.A N SER 49.A OG no hydrogen 2.706 N/A ASN 48.A N ASP 46.A OD2 no hydrogen 3.084 N/A SER 49.A OG ASP 46.A O no hydrogen 2.804 N/A SER 49.A OG ASP 46.A OD1 no hydrogen 3.048 N/A LEU 50.A N ASP 46.A O no hydrogen 2.994 N/A MET 51.A N MET 47.A O no hydrogen 3.220 N/A MET 51.A N ASN 48.A O no hydrogen 3.212 N/A ILE 57.A N VAL 53.A O no hydrogen 3.267 N/A PHE 58.A N ALA 54.A O no hydrogen 2.942 N/A GLN 59.A N ILE 55.A O no hydrogen 2.705 N/A GLY 60.A N ARG 56.A O no hydrogen 2.786 N/A CYS 61.A N ILE 57.A O no hydrogen 2.912 N/A CYS 61.A SG ILE 57.A O no hydrogen 3.443 N/A GLN 62.A N PHE 58.A O no hydrogen 3.019 N/A PHE 63.A N GLN 59.A O no hydrogen 2.899 N/A ARG 64.A N GLY 60.A O no hydrogen 3.141 N/A ARG 64.A NH1 GLU 67.A OE2 no hydrogen 3.221 N/A ARG 64.A NH1 GLU 71.A OE2 no hydrogen 3.264 N/A ARG 64.A NH2 GLU 71.A OE1 no hydrogen 3.355 N/A SER 65.A N CYS 61.A O no hydrogen 2.888 N/A VAL 66.A N GLN 62.A O no hydrogen 3.108 N/A GLU 67.A N PHE 63.A O no hydrogen 3.294 N/A ALA 68.A N ARG 64.A O no hydrogen 3.088 N/A VAL 69.A N SER 65.A O no hydrogen 3.000 N/A GLN 70.A N VAL 66.A O no hydrogen 3.438 N/A GLN 70.A NE2 VAL 66.A O no hydrogen 3.004 N/A GLU 71.A N GLU 67.A O no hydrogen 2.965 N/A ILE 72.A N ALA 68.A O no hydrogen 2.704 N/A THR 73.A N VAL 69.A O no hydrogen 2.798 N/A THR 73.A OG1 VAL 69.A O no hydrogen 2.666 N/A GLU 74.A N GLN 70.A O no hydrogen 3.137 N/A TYR 75.A N GLU 71.A O no hydrogen 3.052 N/A TYR 75.A OH ALA 161.A O no hydrogen 2.453 N/A ALA 76.A N ILE 72.A O no hydrogen 2.886 N/A LYS 77.A N THR 73.A O no hydrogen 3.404 N/A LYS 77.A NZ GLU 74.A OE2 no hydrogen 2.610 N/A SER 78.A N TYR 75.A O no hydrogen 2.944 N/A SER 78.A OG SER 16.A OG no hydrogen 2.773 N/A SER 78.A OG TYR 75.A O no hydrogen 2.633 N/A ILE 79.A N ALA 76.A O no hydrogen 3.037 N/A PHE 82.A N ILE 79.A O no hydrogen 2.980 N/A ASN 84.A N GLY 81.A O no hydrogen 3.100 N/A LEU 85.A N PHE 82.A O no hydrogen 3.050 N/A ASN 88.A N ASP 86.A OD1 no hydrogen 2.772 N/A ASN 88.A ND2 ASP 86.A OD1 no hydrogen 3.091 N/A GLN 90.A N ASP 86.A O no hydrogen 3.143 N/A GLN 90.A NE2 VAL 83.A O no hydrogen 3.375 N/A GLN 90.A NE2 LEU 85.A O no hydrogen 2.732 N/A VAL 91.A N LEU 87.A O no hydrogen 3.126 N/A THR 92.A N ASN 88.A O no hydrogen 3.041 N/A THR 92.A OG1 ASN 88.A O no hydrogen 3.102 N/A LEU 93.A N ASP 89.A O no hydrogen 2.738 N/A LEU 94.A N GLN 90.A O no hydrogen 3.070 N/A LYS 95.A N VAL 91.A O no hydrogen 2.737 N/A LYS 95.A NZ ILE 248.A O no hydrogen 2.631 N/A LYS 95.A NZ LYS 250.A O no hydrogen 3.000 N/A TYR 96.A N THR 92.A O no hydrogen 3.126 N/A GLY 97.A N LEU 93.A O no hydrogen 2.918 N/A VAL 98.A N LEU 94.A O no hydrogen 3.150 N/A ILE 101.A N GLY 97.A O no hydrogen 3.024 N/A ILE 102.A N VAL 98.A O no hydrogen 2.771 N/A TYR 103.A N HIS 99.A O no hydrogen 3.038 N/A THR 104.A N GLU 100.A O no hydrogen 3.110 N/A THR 104.A OG1 GLU 100.A O no hydrogen 2.732 N/A MET 105.A N ILE 101.A O no hydrogen 2.866 N/A LEU 106.A N ILE 102.A O no hydrogen 2.881 N/A SER 108.A N MET 105.A O no hydrogen 3.078 N/A LEU 109.A N LEU 106.A O no hydrogen 3.016 N/A MET 110.A N ALA 107.A O no hydrogen 3.134 N/A ASN 111.A N GLY 114.A O no hydrogen 3.067 N/A VAL 115.A N MET 124.A O no hydrogen 3.022 N/A LEU 116.A N LEU 109.A O no hydrogen 2.890 N/A ILE 117.A N GLY 122.A O no hydrogen 2.871 N/A GLY 120.A N ILE 117.A O no hydrogen 3.173 N/A GLN 121.A N SER 118.A O no hydrogen 2.865 N/A GLY 122.A N ILE 117.A O no hydrogen 3.043 N/A PHE 123.A N PHE 42.A O no hydrogen 2.718 N/A MET 124.A N VAL 115.A O no hydrogen 3.147 N/A THR 125.A N ILE 44.A O no hydrogen 3.272 N/A ARG 126.A N ASP 113.A O no hydrogen 2.606 N/A ARG 126.A NE GLU 141.A OE1 no hydrogen 3.360 N/A ARG 126.A NE GLU 141.A OE2 no hydrogen 2.916 N/A ARG 126.A NH1 LYS 112.A O no hydrogen 3.306 N/A ARG 126.A NH2 GLU 141.A OE2 no hydrogen 2.546 N/A PHE 128.A N THR 125.A OG1 no hydrogen 3.174 N/A LEU 129.A N THR 125.A O no hydrogen 3.318 N/A LYS 130.A N ARG 126.A O no hydrogen 2.957 N/A LYS 130.A N GLU 127.A O no hydrogen 3.182 N/A SER 131.A N PHE 128.A O no hydrogen 3.106 N/A SER 131.A OG PHE 128.A O no hydrogen 2.596 N/A GLY 137.A N LYS 134.A O no hydrogen 3.408 N/A ASP 138.A N PRO 135.A O no hydrogen 3.418 N/A LYS 143.A NZ PHE 139.A O no hydrogen 2.886 N/A LYS 143.A NZ HIS 225.A ND1 no hydrogen 2.753 N/A PHE 144.A N MET 140.A O no hydrogen 2.847 N/A GLU 145.A N GLU 141.A O no hydrogen 3.034 N/A PHE 146.A N PRO 142.A O no hydrogen 3.109 N/A ALA 147.A N LYS 143.A O no hydrogen 2.690 N/A VAL 148.A N PHE 144.A O no hydrogen 2.930 N/A LYS 149.A N GLU 145.A O no hydrogen 3.446 N/A PHE 150.A N PHE 146.A O no hydrogen 2.786 N/A ASN 151.A N ALA 147.A O no hydrogen 2.714 N/A ASN 151.A ND2 ALA 107.A O no hydrogen 2.907 N/A ALA 152.A N LYS 149.A O no hydrogen 3.343 N/A LEU 153.A N PHE 150.A O no hydrogen 3.137 N/A GLU 154.A N ASN 151.A O no hydrogen 2.971 N/A ASP 156.A N ASP 159.A OD2 no hydrogen 2.740 N/A SER 158.A OG ASP 156.A OD1 no hydrogen 2.451 N/A SER 158.A OG ASP 156.A OD2 no hydrogen 3.364 N/A ASP 159.A N ASP 156.A O no hydrogen 2.737 N/A ASP 159.A N ASP 156.A OD1 no hydrogen 2.849 N/A LEU 160.A N ASP 156.A O no hydrogen 2.952 N/A ALA 161.A N ASP 157.A O no hydrogen 3.003 N/A PHE 163.A N ASP 159.A O no hydrogen 3.193 N/A ILE 164.A N LEU 160.A O no hydrogen 2.875 N/A ALA 165.A N ALA 161.A O no hydrogen 3.426 N/A VAL 166.A N ILE 162.A O no hydrogen 2.914 N/A ILE 167.A N PHE 163.A O no hydrogen 3.023 N/A ILE 168.A N ILE 164.A O no hydrogen 3.141 N/A LEU 169.A N ALA 165.A O no hydrogen 3.097 N/A SER 170.A OG ILE 167.A O no hydrogen 2.569 N/A ARG 173.A NH1 GLU 100.A OE2 no hydrogen 2.892 N/A ARG 173.A NH2 GLU 100.A OE1 no hydrogen 2.913 N/A ARG 173.A NH2 ILE 167.A O no hydrogen 3.210 N/A LEU 177.A N ASP 89.A OD1 no hydrogen 2.842 N/A ASN 178.A N ASP 89.A OD2 no hydrogen 3.126 N/A LYS 180.A NZ ASP 184.A OD1 no hydrogen 3.453 N/A LYS 180.A NZ ASP 184.A OD2 no hydrogen 3.295 N/A GLU 183.A N VAL 179.A O no hydrogen 2.971 N/A ASP 184.A N LYS 180.A O no hydrogen 2.881 N/A ILE 185.A N PRO 181.A O no hydrogen 3.125 N/A GLN 186.A N ILE 182.A O no hydrogen 3.136 N/A GLN 186.A NE2 VAL 166.A O no hydrogen 2.819 N/A ASP 187.A N GLU 183.A O no hydrogen 2.921 N/A ASN 188.A N ASP 184.A O no hydrogen 3.204 N/A LEU 189.A N ILE 185.A O no hydrogen 3.013 N/A LEU 190.A N GLN 186.A O no hydrogen 2.716 N/A GLN 191.A N ASP 187.A O no hydrogen 3.058 N/A GLN 191.A NE2 ASP 187.A O no hydrogen 3.597 N/A ALA 192.A N ASN 188.A O no hydrogen 3.039 N/A LEU 193.A N LEU 189.A O no hydrogen 2.866 N/A GLU 194.A N LEU 190.A O no hydrogen 2.912 N/A LEU 195.A N GLN 191.A O no hydrogen 2.985 N/A GLN 196.A N ALA 192.A O no hydrogen 2.919 N/A GLN 196.A NE2 ASP 159.A OD1 no hydrogen 2.958 N/A LEU 197.A N LEU 193.A O no hydrogen 2.932 N/A LYS 198.A N GLU 194.A O no hydrogen 3.101 N/A LYS 198.A NZ GLU 194.A OE2 no hydrogen 3.092 N/A LEU 199.A N LEU 195.A O no hydrogen 3.036 N/A ASN 200.A N GLN 196.A O no hydrogen 2.820 N/A ASN 200.A ND2 ASP 156.A OD2 no hydrogen 2.617 N/A ASN 200.A ND2 ASP 159.A OD1 no hydrogen 2.984 N/A HIS 201.A N LEU 197.A O no hydrogen 2.829 N/A HIS 201.A NE2 ASP 159.A OD2 no hydrogen 2.699 N/A SER 204.A N HIS 201.A O no hydrogen 3.365 N/A SER 204.A OG HIS 201.A O no hydrogen 2.820 N/A LYS 210.A N GLN 206.A O no hydrogen 2.953 N/A LYS 210.A NZ SER 205.A O no hydrogen 3.405 N/A LEU 211.A N LEU 207.A O no hydrogen 2.979 N/A LEU 212.A N PHE 208.A O no hydrogen 3.152 N/A GLN 213.A N ALA 209.A O no hydrogen 2.895 N/A LYS 214.A N LYS 210.A O no hydrogen 3.383 N/A MET 215.A N LEU 212.A O no hydrogen 2.966 N/A THR 216.A N GLN 213.A O no hydrogen 2.931 N/A THR 216.A OG1 GLN 213.A O no hydrogen 3.083 N/A THR 216.A OG1 GLN 213.A OE1 no hydrogen 3.115 N/A LEU 218.A N LYS 214.A O no hydrogen 3.044 N/A ARG 219.A N THR 216.A O no hydrogen 3.182 N/A ARG 219.A NH2 ASP 172.A OD1 no hydrogen 3.377 N/A ARG 219.A NH2 ASP 172.A OD2 no hydrogen 2.752 N/A GLN 220.A N THR 216.A O no hydrogen 3.394 N/A ILE 221.A N ASP 217.A O no hydrogen 2.950 N/A VAL 222.A N LEU 218.A O no hydrogen 3.063 N/A THR 223.A N ARG 219.A O no hydrogen 3.017 N/A THR 223.A OG1 ARG 219.A O no hydrogen 3.515 N/A THR 223.A OG1 GLN 220.A O no hydrogen 2.883 N/A GLU 224.A N GLN 220.A O no hydrogen 2.874 N/A HIS 225.A N ILE 221.A O no hydrogen 3.092 N/A VAL 226.A N VAL 222.A O no hydrogen 3.001 N/A GLN 227.A N THR 223.A O no hydrogen 3.048 N/A LEU 228.A N GLU 224.A O no hydrogen 3.228 N/A LEU 229.A N HIS 225.A O no hydrogen 3.105 N/A GLN 230.A N VAL 226.A O no hydrogen 2.918 N/A VAL 231.A N GLN 227.A O no hydrogen 2.990 N/A ILE 232.A N LEU 228.A O no hydrogen 3.092 N/A LYS 233.A N LEU 229.A O no hydrogen 3.041 N/A LYS 234.A N GLN 230.A O no hydrogen 3.016 N/A THR 235.A N VAL 231.A O no hydrogen 2.661 N/A THR 235.A OG1 VAL 231.A O no hydrogen 3.186 N/A THR 235.A OG1 GLU 236.A OE2 no hydrogen 3.242 N/A SER 240.A OG ASP 238.A O no hydrogen 3.275 N/A SER 240.A OG MET 239.A O no hydrogen 2.393 N/A LEU 244.A N HIS 242.A ND1 no hydrogen 2.869 N/A GLN 246.A N HIS 242.A O no hydrogen 3.015 N/A GLN 246.A NE2 LEU 241.A O no hydrogen 2.462 N/A GLU 247.A N PRO 243.A O no hydrogen 2.926 N/A ILE 248.A N LEU 244.A O no hydrogen 2.992 N/A TYR 249.A N LEU 245.A O no hydrogen 2.859 N/A LYS 250.A N GLN 246.A O no hydrogen 2.771 N/A LYS 250.A N GLU 247.A O no hydrogen 3.192 N/A