Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1frg_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N SER 26.A OG no hydrogen 2.670 N/A THR 5.A N LYS 24.A O no hydrogen 2.681 N/A GLN 6.A NE2 TYR 92.A O no hydrogen 3.102 N/A SER 10.A OG GLU 111.A OE1 no hydrogen 3.053 N/A LEU 11.A N LYS 109.A O no hydrogen 2.775 N/A VAL 13.A N GLU 111.A O no hydrogen 2.802 N/A THR 14.A N GLU 17.A OE2 no hydrogen 2.815 N/A THR 14.A OG1 GLU 17.A OE2 no hydrogen 2.994 N/A GLY 16.A N VAL 84.A O no hydrogen 2.671 N/A GLU 17.A N THR 14.A O no hydrogen 3.181 N/A VAL 19.A N ILE 81.A O no hydrogen 2.891 N/A MET 21.A N LEU 79.A O no hydrogen 2.906 N/A SER 22.A N SER 7.A O no hydrogen 3.032 N/A CYS 23.A N PHE 77.A O no hydrogen 2.934 N/A LYS 24.A N THR 5.A O no hydrogen 2.905 N/A LYS 24.A NZ ASP 76.A OD2 no hydrogen 3.234 N/A SER 25.A N THR 75.A O no hydrogen 2.984 N/A SER 25.A OG GLN 27.A O no hydrogen 2.719 N/A SER 26.A N VAL 3.A O no hydrogen 2.822 N/A SER 26.A OG VAL 3.A O no hydrogen 3.492 N/A SER 26.A OG GLN 27.A OE1 no hydrogen 2.926 N/A GLN 27.A NE2 ASP 1.A O no hydrogen 3.299 N/A LEU 29.A N GLY 74.A O no hydrogen 3.433 N/A PHE 30.A N SER 28.A OG no hydrogen 3.275 N/A ASN 31.A N LYS 36.A O no hydrogen 2.863 N/A GLY 33.A N ASN 31.A OD1 no hydrogen 2.916 N/A LYS 34.A N ASN 31.A O no hydrogen 3.320 N/A LYS 34.A N ASN 31.A OD1 no hydrogen 3.344 N/A LYS 36.A NZ LYS 34.A O no hydrogen 3.527 N/A PHE 38.A N LEU 29.A O no hydrogen 2.836 N/A THR 40.A N GLN 95.A O no hydrogen 3.048 N/A TRP 41.A N ILE 54.A O no hydrogen 2.874 N/A TYR 42.A N TYR 93.A O no hydrogen 2.653 N/A TYR 42.A OH GLN 95.A OE1 no hydrogen 2.835 N/A HIS 43.A N LYS 51.A O no hydrogen 2.947 N/A HIS 43.A ND1 TYR 92.A OH no hydrogen 2.858 N/A GLN 44.A N ILE 91.A O no hydrogen 3.098 N/A LYS 45.A NZ GLU 87.A O no hydrogen 2.611 N/A GLN 48.A N LYS 45.A O no hydrogen 2.917 N/A LYS 51.A N HIS 43.A O no hydrogen 2.853 N/A LEU 53.A N TRP 41.A O no hydrogen 3.009 N/A TYR 55.A N THR 59.A O no hydrogen 2.710 N/A ALA 57.A N LEU 39.A O no hydrogen 3.212 N/A SER 58.A OG TRP 56.A O no hydrogen 3.548 N/A THR 59.A N TYR 55.A O no hydrogen 2.945 N/A ARG 60.A NE PHE 68.A O no hydrogen 2.747 N/A ARG 60.A NH2 PHE 68.A O no hydrogen 3.145 N/A GLU 61.A N LEU 53.A O no hydrogen 3.027 N/A VAL 64.A N GLU 61.A O no hydrogen 3.429 N/A ARG 67.A NE ASP 88.A OD2 no hydrogen 3.103 N/A ARG 67.A NH2 GLU 87.A OE2 no hydrogen 3.036 N/A ARG 67.A NH2 ASP 88.A OD1 no hydrogen 2.765 N/A ARG 67.A NH2 ASP 88.A OD2 no hydrogen 3.277 N/A PHE 68.A N PRO 65.A O no hydrogen 3.038 N/A SER 69.A N THR 80.A O no hydrogen 2.905 N/A SER 71.A N THR 78.A O no hydrogen 2.877 N/A SER 73.A N ASP 76.A O no hydrogen 3.049 N/A SER 73.A OG GLY 72.A O no hydrogen 2.774 N/A GLY 74.A N ASN 37.A OD1 no hydrogen 3.082 N/A THR 75.A OG1 SER 25.A O no hydrogen 3.485 N/A PHE 77.A N CYS 23.A O no hydrogen 3.119 N/A THR 78.A N SER 71.A O no hydrogen 2.704 N/A THR 78.A OG1 SER 71.A O no hydrogen 3.335 N/A LEU 79.A N MET 21.A O no hydrogen 2.994 N/A THR 80.A N SER 69.A O no hydrogen 2.833 N/A ILE 81.A N VAL 19.A O no hydrogen 3.085 N/A THR 82.A N ARG 67.A O no hydrogen 3.271 N/A VAL 84.A N GLU 17.A O no hydrogen 2.828 N/A GLN 85.A N ASP 88.A OD2 no hydrogen 3.323 N/A GLN 85.A NE2 SER 83.A O no hydrogen 2.753 N/A ASP 88.A N GLN 85.A O no hydrogen 2.947 N/A LEU 89.A N ALA 86.A O no hydrogen 3.214 N/A ILE 91.A N GLN 44.A O no hydrogen 3.461 N/A TYR 92.A N THR 108.A O no hydrogen 2.885 N/A TYR 92.A OH ASP 88.A O no hydrogen 2.657 N/A TYR 93.A N TYR 42.A O no hydrogen 2.801 N/A GLN 95.A NE2 ASN 96.A O no hydrogen 2.624 N/A GLN 95.A NE2 ASP 97.A OD1 no hydrogen 3.061 N/A ASN 96.A N THR 103.A O no hydrogen 2.869 N/A ASN 96.A ND2 SER 99.A O no hydrogen 3.005 N/A ASN 96.A ND2 THR 103.A OG1 no hydrogen 3.196 N/A ASP 97.A N PHE 38.A O no hydrogen 3.080 N/A TYR 98.A N ASN 96.A OD1 no hydrogen 2.827 N/A SER 99.A N ASN 96.A OD1 no hydrogen 3.306 N/A THR 103.A OG1 ILE 2.A O no hydrogen 3.154 N/A GLY 105.A N CYS 94.A O no hydrogen 2.960 N/A GLY 107.A N GLN 6.A OE1 no hydrogen 2.992 N/A THR 108.A N TYR 92.A O no hydrogen 2.964 N/A THR 108.A OG1 PRO 8.A O no hydrogen 2.957 N/A LYS 109.A N SER 9.A O no hydrogen 2.820 N/A LYS 109.A NZ ASP 171.A OD1 no hydrogen 2.782 N/A LEU 110.A N ALA 90.A O no hydrogen 3.021 N/A GLU 111.A N LEU 11.A O no hydrogen 2.909 N/A LEU 112.A N GLN 172.A OE1 no hydrogen 2.796 N/A LYS 113.A N VAL 13.A O no hydrogen 2.725 N/A LYS 113.A NZ GLU 17.A OE2 no hydrogen 3.158 N/A ARG 114.A NE ASP 176.A O no hydrogen 2.987 N/A ARG 114.A NH1 ALA 115.A O no hydrogen 2.730 N/A ALA 117.A N TYR 146.A O no hydrogen 2.976 N/A THR 120.A N ASN 143.A O no hydrogen 2.904 N/A SER 122.A N PHE 141.A O no hydrogen 2.985 N/A PHE 124.A N VAL 139.A O no hydrogen 2.720 N/A GLN 130.A N SER 127.A OG no hydrogen 3.396 N/A GLN 130.A NE2 SER 137.A OG no hydrogen 2.818 N/A LEU 131.A N SER 127.A O no hydrogen 2.884 N/A THR 132.A N SER 128.A O no hydrogen 2.713 N/A THR 132.A N GLU 129.A O no hydrogen 3.302 N/A THR 132.A OG1 SER 128.A O no hydrogen 3.029 N/A SER 133.A N GLU 129.A O no hydrogen 3.126 N/A SER 133.A OG GLU 129.A O no hydrogen 2.966 N/A GLY 134.A N THR 132.A O no hydrogen 2.720 N/A ALA 136.A N LEU 187.A O no hydrogen 2.845 N/A SER 137.A N GLN 130.A OE1 no hydrogen 2.941 N/A SER 137.A OG THR 186.A OG1 no hydrogen 3.135 N/A VAL 138.A N LEU 185.A O no hydrogen 3.039 N/A VAL 139.A N PHE 124.A O no hydrogen 3.151 N/A CYS 140.A N SER 183.A O no hydrogen 2.870 N/A CYS 140.A SG SER 122.A O no hydrogen 4.044 N/A PHE 141.A N SER 122.A O no hydrogen 2.996 N/A LEU 142.A N MET 181.A O no hydrogen 2.991 N/A ASN 143.A N THR 120.A O no hydrogen 3.037 N/A ASN 144.A N SER 180.A OG no hydrogen 3.179 N/A PHE 145.A N TYR 179.A O no hydrogen 3.057 N/A TYR 146.A N ALA 117.A O no hydrogen 2.979 N/A TYR 146.A OH LEU 112.A O no hydrogen 3.112 N/A LYS 148.A NZ GLU 111.A OE2 no hydrogen 3.465 N/A ASN 151.A N THR 203.A O no hydrogen 3.024 N/A LYS 153.A N GLU 201.A O no hydrogen 2.869 N/A TRP 154.A NE1 SER 183.A OG no hydrogen 2.832 N/A LYS 155.A N THR 199.A O no hydrogen 3.160 N/A LYS 155.A NZ GLU 201.A OE1 no hydrogen 3.359 N/A LYS 155.A NZ GLU 201.A OE2 no hydrogen 3.552 N/A ILE 156.A N SER 159.A O no hydrogen 2.752 N/A ASP 157.A N SER 197.A O no hydrogen 3.039 N/A SER 159.A N ILE 156.A O no hydrogen 2.788 N/A ARG 161.A N TRP 154.A O no hydrogen 2.864 N/A ARG 161.A NH2 GLU 191.A OE1 no hydrogen 3.188 N/A LEU 166.A N THR 184.A O no hydrogen 3.001 N/A SER 168.A N SER 182.A O no hydrogen 2.962 N/A THR 170.A N SER 180.A O no hydrogen 2.978 N/A GLN 172.A N ASP 171.A OD1 no hydrogen 3.156 N/A GLN 172.A NE2 LEU 112.A O no hydrogen 2.965 N/A GLN 172.A NE2 SER 177.A O no hydrogen 3.031 N/A LYS 175.A N ASP 173.A OD1 no hydrogen 2.884 N/A LYS 175.A NZ ASP 176.A OD2 no hydrogen 3.335 N/A ASP 176.A N ASP 173.A OD1 no hydrogen 3.455 N/A SER 177.A N ASP 173.A O no hydrogen 2.807 N/A THR 178.A OG1 ASN 144.A OD1 no hydrogen 3.459 N/A THR 178.A OG1 ASP 176.A OD1 no hydrogen 2.638 N/A TYR 179.A N PHE 145.A O no hydrogen 2.857 N/A TYR 179.A OH GLU 111.A OE2 no hydrogen 3.088 N/A SER 180.A OG TYR 179.A O no hydrogen 2.786 N/A MET 181.A N LEU 142.A O no hydrogen 3.101 N/A SER 182.A N SER 168.A O no hydrogen 2.794 N/A SER 183.A N CYS 140.A O no hydrogen 2.845 N/A SER 183.A OG ASN 167.A OD1 no hydrogen 2.831 N/A THR 184.A N LEU 166.A O no hydrogen 3.027 N/A LEU 185.A N VAL 138.A O no hydrogen 2.801 N/A THR 186.A N GLY 164.A O no hydrogen 2.821 N/A THR 186.A OG1 SER 137.A OG no hydrogen 3.135 N/A LEU 187.A N ALA 136.A O no hydrogen 2.755 N/A LYS 189.A N GLY 134.A O no hydrogen 2.925 N/A LYS 189.A NZ LEU 131.A O no hydrogen 3.281 N/A GLU 191.A N THR 188.A OG1 no hydrogen 3.046 N/A TYR 192.A N THR 188.A O no hydrogen 2.853 N/A HIS 195.A ND1 GLU 191.A O no hydrogen 2.857 N/A ASN 196.A N ASP 157.A OD2 no hydrogen 3.106 N/A SER 197.A N ASN 216.A O no hydrogen 2.831 N/A TYR 198.A N PHE 215.A O no hydrogen 3.083 N/A TYR 198.A OH TYR 192.A O no hydrogen 3.191 N/A THR 199.A N LYS 155.A O no hydrogen 3.137 N/A THR 199.A OG1 SER 214.A OG no hydrogen 3.261 N/A CYS 200.A N LYS 213.A O no hydrogen 2.938 N/A GLU 201.A N LYS 153.A O no hydrogen 2.845 N/A ALA 202.A N ILE 211.A O no hydrogen 2.877 N/A THR 203.A N ASN 151.A O no hydrogen 2.864 N/A HIS 204.A NE2 TYR 146.A O no hydrogen 2.807 N/A LYS 205.A NZ ASP 116.A OD1 no hydrogen 2.961 N/A LYS 205.A NZ ASP 116.A OD2 no hydrogen 3.132 N/A SER 207.A N HIS 204.A O no hydrogen 2.807 N/A SER 207.A OG SER 209.A O no hydrogen 3.355 N/A ILE 211.A N ALA 202.A O no hydrogen 2.890 N/A LYS 213.A N CYS 200.A O no hydrogen 2.992 N/A SER 214.A OG THR 199.A OG1 no hydrogen 3.261 N/A PHE 215.A N TYR 198.A O no hydrogen 3.110 N/A ARG 217.A NH1 HIS 195.A O no hydrogen 2.954 N/A