Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N LEU 18.A O no hydrogen 2.806 N/A SER 5.A OG SER 17.A OG no hydrogen 2.816 N/A GLU 6.A N PHE 16.A O no hydrogen 2.869 N/A MET 10.A N SER 8.A OG no hydrogen 3.010 N/A TRP 11.A N SER 8.A O no hydrogen 3.167 N/A SER 17.A OG SER 5.A OG no hydrogen 2.816 N/A LEU 18.A N PHE 4.A O no hydrogen 2.938 N/A ILE 20.A N LYS 2.A O no hydrogen 2.963 N/A LYS 21.A N GLU 38.A O no hydrogen 2.797 N/A LYS 22.A N GLU 38.A O no hydrogen 3.137 N/A LEU 24.A N VAL 36.A O no hydrogen 2.780 N/A TYR 25.A N VAL 36.A O no hydrogen 3.156 N/A THR 27.A N VAL 34.A O no hydrogen 3.153 N/A SER 29.A N GLN 32.A O no hydrogen 2.891 N/A SER 29.A OG GLN 32.A O no hydrogen 3.186 N/A SER 29.A OG ASP 109.A OD1 no hydrogen 3.509 N/A SER 29.A OG ASP 109.A OD2 no hydrogen 2.624 N/A LYS 30.A NZ TYR 31.A OH no hydrogen 3.486 N/A TYR 31.A N SER 29.A OG no hydrogen 2.967 N/A GLN 32.A N SER 29.A OG no hydrogen 3.055 N/A GLN 32.A NE2 ASP 109.A OD2 no hydrogen 2.723 N/A ASN 33.A N ASP 49.A OD1 no hydrogen 2.788 N/A VAL 34.A N THR 27.A O no hydrogen 2.882 N/A LEU 35.A N VAL 47.A O no hydrogen 2.807 N/A VAL 36.A N TYR 25.A O no hydrogen 2.865 N/A PHE 37.A N VAL 45.A O no hydrogen 3.159 N/A GLU 38.A N LYS 22.A O no hydrogen 2.851 N/A SER 39.A N GLY 43.A O no hydrogen 2.804 N/A SER 39.A OG GLY 43.A O no hydrogen 2.713 N/A THR 40.A N LYS 19.A O no hydrogen 2.973 N/A TYR 42.A N SER 39.A OG no hydrogen 2.823 N/A LYS 44.A N GLU 56.A OE1 no hydrogen 2.850 N/A LYS 44.A NZ TYR 119.A O no hydrogen 2.531 N/A VAL 45.A N PHE 37.A O no hydrogen 2.850 N/A LEU 46.A N LEU 54.A O no hydrogen 2.974 N/A VAL 47.A N LEU 35.A O no hydrogen 2.807 N/A LEU 48.A N VAL 51.A O no hydrogen 2.961 N/A ASP 49.A N ASN 33.A O no hydrogen 2.774 N/A VAL 51.A N LEU 48.A O no hydrogen 2.996 N/A ILE 52.A N GLU 6.A OE2 no hydrogen 2.861 N/A GLN 53.A N LEU 46.A O no hydrogen 2.713 N/A GLN 53.A NE2 VAL 51.A O no hydrogen 3.127 N/A LEU 54.A N LEU 46.A O no hydrogen 3.458 N/A THR 55.A OG1 ASP 58.A OD1 no hydrogen 2.933 N/A GLU 56.A N LYS 44.A O no hydrogen 2.984 N/A LYS 57.A N THR 55.A OG1 no hydrogen 3.228 N/A GLU 59.A N THR 55.A O no hydrogen 3.075 N/A ALA 61.A N ASP 58.A O no hydrogen 2.958 N/A TYR 62.A OH ASP 156.A OD1 no hydrogen 2.792 N/A HIS 63.A N GLU 59.A O no hydrogen 2.999 N/A HIS 63.A ND1 GLU 59.A OE1 no hydrogen 2.519 N/A GLU 64.A N PHE 60.A O no hydrogen 2.770 N/A MET 65.A N ALA 61.A O no hydrogen 3.198 N/A MET 66.A N TYR 62.A O no hydrogen 3.037 N/A THR 67.A N HIS 63.A O no hydrogen 3.137 N/A THR 67.A OG1 HIS 63.A O no hydrogen 2.842 N/A HIS 68.A N GLU 64.A O no hydrogen 2.925 N/A HIS 68.A ND1 TYR 97.A OH no hydrogen 2.711 N/A HIS 68.A NE2 GLU 93.A OE1 no hydrogen 2.925 N/A VAL 69.A N MET 65.A O no hydrogen 3.301 N/A MET 71.A N THR 67.A O no hydrogen 3.050 N/A THR 72.A N HIS 68.A O no hydrogen 3.023 N/A THR 72.A OG1 HIS 68.A O no hydrogen 2.623 N/A THR 72.A OG1 VAL 69.A O no hydrogen 3.257 N/A THR 72.A OG1 TYR 259.A OH no hydrogen 2.658 N/A THR 72.A OG1 HIS 264.A ND1 no hydrogen 3.283 N/A VAL 73.A N PRO 70.A O no hydrogen 3.238 N/A SER 74.A N PRO 70.A O no hydrogen 2.949 N/A LYS 78.A N ASP 151.A OD2 no hydrogen 2.704 N/A LYS 78.A NZ SER 99.A O no hydrogen 2.887 N/A LYS 78.A NZ GLU 101.A OE2 no hydrogen 3.511 N/A ASN 79.A N ASP 151.A OD2 no hydrogen 3.062 N/A VAL 80.A N ASN 102.A O no hydrogen 3.070 N/A LEU 81.A N VAL 152.A O no hydrogen 3.083 N/A VAL 82.A N ASP 104.A O no hydrogen 2.801 N/A VAL 83.A N ILE 154.A O no hydrogen 2.868 N/A GLY 84.A N CYS 106.A O no hydrogen 2.876 N/A GLY 85.A N ASP 156.A O no hydrogen 2.908 N/A GLY 88.A N GLY 85.A O no hydrogen 2.751 N/A GLY 89.A N ASP 87.A OD1 no hydrogen 2.750 N/A ARG 92.A N GLY 88.A O no hydrogen 2.747 N/A ARG 92.A NE GLU 93.A OE2 no hydrogen 2.977 N/A ARG 92.A NH1 GLU 59.A OE2 no hydrogen 2.799 N/A ARG 92.A NH1 ASN 122.A O no hydrogen 3.170 N/A ARG 92.A NH2 GLU 59.A OE1 no hydrogen 2.921 N/A ARG 92.A NH2 GLU 59.A OE2 no hydrogen 3.341 N/A ARG 92.A NH2 GLU 93.A OE2 no hydrogen 2.840 N/A GLU 93.A N GLY 89.A O no hydrogen 3.199 N/A LEU 94.A N ILE 90.A O no hydrogen 2.743 N/A CYS 95.A N ILE 91.A O no hydrogen 2.955 N/A CYS 95.A SG ILE 91.A O no hydrogen 3.353 N/A CYS 95.A SG GLY 126.A O no hydrogen 3.978 N/A LYS 96.A N GLU 93.A O no hydrogen 3.277 N/A LYS 96.A NZ GLU 93.A OE1 no hydrogen 2.659 N/A LYS 96.A NZ GLU 93.A OE2 no hydrogen 3.273 N/A LYS 96.A NZ ASP 255.A OD1 no hydrogen 3.242 N/A TYR 97.A N LEU 94.A O no hydrogen 3.056 N/A TYR 97.A OH HIS 68.A ND1 no hydrogen 2.711 N/A LYS 98.A NZ GLU 252.A OE1 no hydrogen 3.289 N/A LYS 98.A NZ GLU 252.A OE2 no hydrogen 3.058 N/A SER 99.A OG PRO 77.A O no hydrogen 3.275 N/A VAL 100.A N TYR 97.A O no hydrogen 3.127 N/A GLU 101.A N LYS 78.A O no hydrogen 2.906 N/A ASN 102.A N LYS 78.A O no hydrogen 3.079 N/A ILE 103.A N ARG 131.A O no hydrogen 2.934 N/A ASP 104.A N VAL 80.A O no hydrogen 3.007 N/A ILE 105.A N ASN 133.A O no hydrogen 2.933 N/A CYS 106.A N VAL 82.A O no hydrogen 2.912 N/A CYS 106.A SG GLU 137.A O no hydrogen 3.161 N/A GLU 107.A N PHE 135.A O no hydrogen 2.988 N/A ASP 109.A N GLU 107.A OE2 no hydrogen 2.714 N/A THR 111.A N ASP 109.A OD1 no hydrogen 3.150 N/A VAL 112.A N ASP 109.A O no hydrogen 3.004 N/A GLU 114.A N GLU 110.A O no hydrogen 2.955 N/A VAL 115.A N THR 111.A O no hydrogen 2.650 N/A SER 116.A N VAL 112.A O no hydrogen 2.842 N/A SER 116.A OG ASP 87.A O no hydrogen 2.665 N/A LYS 117.A N ILE 113.A O no hydrogen 2.836 N/A ILE 118.A N GLU 114.A O no hydrogen 3.185 N/A ILE 118.A N VAL 115.A O no hydrogen 3.243 N/A TYR 119.A N VAL 115.A O no hydrogen 2.886 N/A PHE 120.A N SER 116.A O no hydrogen 2.810 N/A ILE 123.A N PHE 120.A O no hydrogen 2.949 N/A SER 124.A N PHE 120.A O no hydrogen 2.941 N/A SER 124.A OG SER 116.A O no hydrogen 2.896 N/A SER 124.A OG PHE 120.A O no hydrogen 3.020 N/A CYS 125.A SG ASN 122.A O no hydrogen 3.975 N/A TYR 127.A N SER 124.A O no hydrogen 3.218 N/A TYR 127.A OH GLY 86.A O no hydrogen 2.592 N/A GLU 128.A N CYS 125.A O no hydrogen 3.080 N/A ASP 129.A N GLY 126.A O no hydrogen 3.149 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.801 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 2.826 N/A ARG 131.A NE ASP 129.A OD2 no hydrogen 3.423 N/A ARG 131.A NH1 TYR 97.A O no hydrogen 2.916 N/A ARG 131.A NH1 VAL 100.A O no hydrogen 2.930 N/A ARG 131.A NH2 CYS 95.A O no hydrogen 2.754 N/A ARG 131.A NH2 ASP 129.A OD2 no hydrogen 2.881 N/A VAL 132.A N ASP 129.A O no hydrogen 3.072 N/A ASN 133.A N ILE 103.A O no hydrogen 2.810 N/A PHE 135.A N ILE 105.A O no hydrogen 2.805 N/A GLU 137.A N GLU 107.A O no hydrogen 3.244 N/A SER 140.A N ASP 138.A OD1 no hydrogen 2.905 N/A PHE 142.A N ASP 138.A O no hydrogen 3.003 N/A LEU 143.A N ALA 139.A O no hydrogen 2.884 N/A ASN 145.A N LYS 141.A O no hydrogen 3.115 N/A ASN 145.A N PHE 142.A O no hydrogen 2.755 N/A VAL 146.A N PHE 142.A O no hydrogen 2.820 N/A ASN 148.A ND2 THR 147.A OG1 no hydrogen 3.391 N/A TYR 150.A N ALA 179.A O no hydrogen 2.822 N/A TYR 150.A OH ASP 104.A OD2 no hydrogen 2.512 N/A ASP 151.A N ASN 79.A O no hydrogen 2.971 N/A ILE 153.A N TYR 185.A O no hydrogen 2.960 N/A ILE 154.A N LEU 81.A O no hydrogen 2.933 N/A VAL 155.A N VAL 187.A O no hydrogen 2.858 N/A ASP 156.A N VAL 83.A O no hydrogen 2.789 N/A SER 157.A OG SER 158.A O no hydrogen 3.102 N/A GLU 165.A N GLY 162.A O no hydrogen 3.086 N/A THR 166.A OG1 ASP 138.A OD1 no hydrogen 3.339 N/A LEU 167.A N ALA 164.A O no hydrogen 2.918 N/A ASN 169.A ND2 THR 166.A O no hydrogen 3.240 N/A PHE 172.A N ASN 169.A OD1 no hydrogen 2.927 N/A TYR 173.A N ASN 169.A O no hydrogen 3.426 N/A GLU 174.A N GLN 170.A O no hydrogen 3.134 N/A LYS 175.A N ASN 171.A O no hydrogen 3.162 N/A LYS 175.A NZ SER 140.A O no hydrogen 2.946 N/A LYS 175.A NZ GLU 144.A OE2 no hydrogen 2.728 N/A ILE 176.A N PHE 172.A O no hydrogen 3.071 N/A TYR 177.A N TYR 173.A O no hydrogen 2.873 N/A ASN 178.A N GLU 174.A O no hydrogen 3.010 N/A ALA 179.A N LYS 175.A O no hydrogen 3.059 N/A LEU 180.A N TYR 177.A O no hydrogen 3.080 N/A LYS 181.A N TYR 150.A O no hydrogen 2.700 N/A LYS 181.A NZ THR 149.A O no hydrogen 2.953 N/A LYS 181.A NZ THR 149.A OG1 no hydrogen 3.167 N/A ASN 183.A N ASN 183.A OD1 no hydrogen 2.536 N/A GLY 184.A N LYS 181.A O no hydrogen 3.079 N/A TYR 185.A N ASP 151.A O no hydrogen 3.143 N/A CYS 186.A N CYS 234.A O no hydrogen 3.031 N/A CYS 186.A SG ILE 153.A O no hydrogen 3.697 N/A CYS 186.A SG VAL 187.A O no hydrogen 3.659 N/A VAL 187.A N ILE 153.A O no hydrogen 3.073 N/A ALA 188.A N LEU 232.A O no hydrogen 2.838 N/A GLN 189.A N VAL 155.A O no hydrogen 3.062 N/A GLN 189.A NE2 SER 157.A O no hydrogen 3.221 N/A GLN 189.A NE2 SER 157.A OG no hydrogen 3.160 N/A GLN 189.A NE2 SER 158.A O no hydrogen 3.546 N/A CYS 190.A N GLY 230.A O no hydrogen 2.764 N/A TRP 194.A N SER 192.A OG no hydrogen 3.338 N/A ILE 195.A N SER 192.A O no hydrogen 3.003 N/A ILE 200.A N HIS 196.A O no hydrogen 3.327 N/A LYS 201.A N VAL 197.A O no hydrogen 2.922 N/A LYS 201.A NZ GLU 277.A OE1 no hydrogen 3.386 N/A ASN 202.A N GLY 198.A O no hydrogen 2.932 N/A MET 203.A N THR 199.A O no hydrogen 2.936 N/A ILE 204.A N ILE 200.A O no hydrogen 2.819 N/A GLY 205.A N LYS 201.A O no hydrogen 3.042 N/A TYR 206.A N ASN 202.A O no hydrogen 2.989 N/A ALA 207.A N MET 203.A O no hydrogen 2.886 N/A LYS 208.A N ILE 204.A O no hydrogen 2.898 N/A LYS 208.A NZ ILE 281.A O no hydrogen 3.329 N/A LYS 209.A N GLY 205.A O no hydrogen 3.355 N/A LEU 210.A N ALA 207.A O no hydrogen 3.077 N/A PHE 211.A N ALA 207.A O no hydrogen 2.795 N/A LYS 213.A N SER 235.A O no hydrogen 3.220 N/A GLU 215.A N CYS 233.A O no hydrogen 2.882 N/A TYR 216.A OH GLU 191.A O no hydrogen 2.317 N/A ALA 217.A N ILE 231.A O no hydrogen 3.079 N/A ASN 218.A N ALA 267.A O no hydrogen 2.941 N/A ILE 219.A N ILE 229.A O no hydrogen 2.905 N/A SER 220.A N TYR 258.A OH no hydrogen 3.218 N/A ILE 221.A N GLY 227.A O no hydrogen 3.053 N/A THR 223.A N ASP 58.A OD2 no hydrogen 3.164 N/A THR 223.A OG1 ASP 58.A OD1 no hydrogen 3.203 N/A THR 223.A OG1 ASP 58.A OD2 no hydrogen 2.553 N/A TYR 224.A N ILE 221.A O no hydrogen 3.308 N/A TYR 224.A OH GLN 53.A O no hydrogen 2.778 N/A CYS 226.A SG GLN 14.A OE1 no hydrogen 3.860 N/A GLY 227.A N TYR 224.A O no hydrogen 2.717 N/A CYS 228.A SG SER 192.A OG no hydrogen 3.356 N/A CYS 228.A SG ASN 218.A OD1 no hydrogen 3.489 N/A CYS 228.A SG CYS 226.A O no hydrogen 4.022 N/A ILE 229.A N ILE 219.A O no hydrogen 3.058 N/A GLY 230.A N CYS 190.A O no hydrogen 3.182 N/A ILE 231.A N ALA 217.A O no hydrogen 2.870 N/A LEU 232.A N ALA 188.A O no hydrogen 2.789 N/A CYS 233.A N GLU 215.A O no hydrogen 2.753 N/A CYS 233.A SG ILE 231.A O no hydrogen 3.659 N/A CYS 234.A N CYS 186.A O no hydrogen 2.787 N/A SER 235.A N LYS 213.A O no hydrogen 2.917 N/A LYS 236.A NZ TYR 177.A O no hydrogen 2.773 N/A LYS 236.A NZ LEU 180.A O no hydrogen 3.273 N/A LYS 236.A NZ LYS 181.A O no hydrogen 3.206 N/A THR 237.A OG1 THR 239.A OG1 no hydrogen 3.205 N/A THR 239.A OG1 THR 237.A OG1 no hydrogen 3.205 N/A LEU 241.A N GLU 215.A OE1 no hydrogen 2.805 N/A ASN 245.A N THR 72.A O no hydrogen 2.697 N/A ASN 245.A ND2 VAL 73.A O no hydrogen 2.874 N/A LYS 246.A NZ MET 71.A O no hydrogen 2.833 N/A LYS 246.A NZ SER 74.A O no hydrogen 2.612 N/A LYS 246.A NZ LYS 75.A O no hydrogen 3.353 N/A SER 250.A OG GLU 252.A OE1 no hydrogen 2.777 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.816 N/A PHE 253.A N SER 250.A O no hydrogen 3.159 N/A ALA 254.A N LYS 251.A O no hydrogen 3.292 N/A LEU 256.A N PHE 253.A O no hydrogen 3.115 N/A LYS 257.A N GLU 64.A OE2 no hydrogen 2.727 N/A LYS 257.A NZ ASP 255.A O no hydrogen 3.053 N/A TYR 258.A N GLU 64.A OE1 no hydrogen 2.800 N/A TYR 259.A N GLU 64.A OE1 no hydrogen 2.824 N/A TYR 259.A OH THR 72.A OG1 no hydrogen 2.658 N/A TYR 259.A OH HIS 264.A ND1 no hydrogen 3.081 N/A ASN 263.A N ASN 260.A OD1 no hydrogen 2.860 N/A ASN 263.A ND2 TYR 258.A O no hydrogen 2.880 N/A HIS 264.A N ASN 260.A O no hydrogen 3.129 N/A HIS 264.A ND1 TYR 259.A OH no hydrogen 3.081 N/A HIS 264.A NE2 LEU 241.A O no hydrogen 2.590 N/A SER 265.A OG THR 242.A O no hydrogen 2.979 N/A ALA 266.A N GLU 262.A O no hydrogen 3.049 N/A ALA 267.A N ASN 263.A O no hydrogen 3.031 N/A PHE 268.A N SER 265.A O no hydrogen 3.034 N/A LYS 269.A N ALA 266.A O no hydrogen 2.823 N/A LEU 275.A N PRO 271.A O no hydrogen 3.315 N/A LYS 276.A N ALA 272.A O no hydrogen 3.157 N/A GLU 277.A N PHE 273.A O no hydrogen 3.046 N/A ILE 278.A N LEU 274.A O no hydrogen 3.160 N/A