Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7up8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ASP 76.A OD2 no hydrogen 3.371 N/A GLN 7.A N SER 3.A O no hydrogen 3.311 N/A GLN 7.A NE2 ASP 2.A O no hydrogen 2.914 N/A HIS 8.A N PHE 5.A O no hydrogen 3.040 N/A HIS 8.A ND1 PRO 4.A O no hydrogen 3.257 N/A TYR 9.A N PHE 5.A O no hydrogen 3.019 N/A TYR 9.A OH GLU 72.A OE1 no hydrogen 2.537 N/A ASP 10.A N VAL 30.A O no hydrogen 2.812 N/A ASP 12.A N LYS 28.A O no hydrogen 3.053 N/A LEU 18.A N CYS 26.A O no hydrogen 2.572 N/A GLY 21.A N SER 24.A O no hydrogen 3.081 N/A ILE 25.A N ILE 42.A O no hydrogen 3.163 N/A CYS 26.A N GLY 19.A O no hydrogen 2.863 N/A CYS 26.A SG VAL 40.A O no hydrogen 3.406 N/A ARG 27.A N VAL 40.A O no hydrogen 2.980 N/A CYS 29.A N PHE 38.A O no hydrogen 3.033 N/A CYS 29.A SG PHE 38.A O no hydrogen 3.702 N/A VAL 30.A N ASP 10.A O no hydrogen 2.863 N/A HIS 31.A N GLN 36.A O no hydrogen 2.857 N/A LYS 32.A N HIS 8.A O no hydrogen 2.884 N/A LYS 32.A NZ ASP 10.A OD1 no hydrogen 3.060 N/A SER 34.A N HIS 31.A ND1 no hydrogen 3.198 N/A SER 34.A OG HIS 31.A ND1 no hydrogen 2.791 N/A ASN 35.A N HIS 31.A O no hydrogen 2.705 N/A PHE 38.A N CYS 29.A O no hydrogen 3.002 N/A ALA 39.A N MET 84.A O no hydrogen 3.216 N/A VAL 40.A N ARG 27.A O no hydrogen 2.960 N/A LYS 41.A N LEU 82.A O no hydrogen 2.960 N/A LYS 41.A NZ GLU 54.A OE1 no hydrogen 3.008 N/A LYS 41.A NZ GLU 54.A OE2 no hydrogen 3.212 N/A ILE 42.A N ILE 25.A O no hydrogen 2.876 N/A ILE 43.A N THR 80.A O no hydrogen 2.934 N/A SER 44.A N PHE 23.A O no hydrogen 3.021 N/A LYS 45.A N LEU 78.A O no hydrogen 2.777 N/A LYS 45.A NZ HIS 75.A ND1 no hydrogen 3.110 N/A ARG 46.A N SER 44.A OG no hydrogen 3.202 N/A MET 47.A N SER 44.A O no hydrogen 3.150 N/A GLU 48.A N LYS 45.A O no hydrogen 3.035 N/A THR 51.A N MET 47.A O no hydrogen 3.011 N/A THR 51.A OG1 MET 47.A O no hydrogen 2.830 N/A GLN 52.A N GLU 48.A O no hydrogen 2.987 N/A GLU 54.A N ASN 50.A O no hydrogen 3.084 N/A ILE 55.A N THR 51.A O no hydrogen 2.879 N/A THR 56.A N GLN 52.A O no hydrogen 2.737 N/A THR 56.A OG1 GLN 52.A O no hydrogen 3.031 N/A ALA 57.A N LYS 53.A O no hydrogen 2.621 N/A LEU 58.A N GLU 54.A O no hydrogen 2.838 N/A LYS 59.A N ILE 55.A O no hydrogen 3.100 N/A LEU 60.A N THR 56.A O no hydrogen 2.951 N/A CYS 61.A N ALA 57.A O no hydrogen 3.332 N/A CYS 61.A SG ALA 57.A O no hydrogen 3.535 N/A GLU 62.A N LYS 59.A O no hydrogen 3.365 N/A HIS 64.A N CYS 61.A O no hydrogen 3.497 N/A HIS 64.A NE2 SER 116.A OG no hydrogen 3.161 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.995 N/A ASN 66.A ND2 GLU 142.A OE2 no hydrogen 2.991 N/A ASN 66.A ND2 ILE 143.A O no hydrogen 2.623 N/A ILE 67.A N HIS 64.A O no hydrogen 3.219 N/A VAL 68.A N ILE 145.A O no hydrogen 3.048 N/A LYS 69.A N GLU 85.A OE2 no hydrogen 3.136 N/A HIS 71.A N VAL 83.A O no hydrogen 2.672 N/A GLU 72.A N VAL 83.A O no hydrogen 3.357 N/A PHE 74.A N PHE 81.A O no hydrogen 2.991 N/A ASP 76.A N HIS 79.A O no hydrogen 3.008 N/A LEU 78.A N ASP 76.A OD1 no hydrogen 2.962 N/A HIS 79.A N ASP 76.A OD1 no hydrogen 2.794 N/A THR 80.A N ILE 43.A O no hydrogen 2.725 N/A THR 80.A OG1 GLU 48.A OE1 no hydrogen 2.802 N/A PHE 81.A N PHE 74.A O no hydrogen 2.772 N/A LEU 82.A N LYS 41.A O no hydrogen 2.946 N/A VAL 83.A N GLU 72.A O no hydrogen 2.829 N/A MET 84.A N ALA 39.A O no hydrogen 2.716 N/A GLU 85.A N LYS 69.A O no hydrogen 3.187 N/A LEU 92.A N LEU 136.A O no hydrogen 2.726 N/A GLU 94.A N GLU 91.A O no hydrogen 3.007 N/A ARG 95.A N GLU 91.A O no hydrogen 3.295 N/A ARG 95.A N LEU 92.A O no hydrogen 3.227 N/A ILE 96.A N LEU 92.A O no hydrogen 3.228 N/A LYS 97.A N PHE 93.A O no hydrogen 3.043 N/A LYS 98.A N GLU 94.A O no hydrogen 3.221 N/A LYS 99.A N ILE 96.A O no hydrogen 3.157 N/A LYS 99.A NZ HIS 101.A O no hydrogen 2.789 N/A LYS 99.A NZ GLU 106.A OE2 no hydrogen 3.034 N/A SER 103.A N GLU 106.A OE1 no hydrogen 2.991 N/A SER 103.A OG GLU 106.A OE1 no hydrogen 3.157 N/A ALA 107.A N SER 103.A O no hydrogen 2.932 N/A SER 108.A N GLU 104.A O no hydrogen 2.763 N/A SER 108.A OG TRP 236.A O no hydrogen 2.872 N/A TYR 109.A N THR 105.A O no hydrogen 2.946 N/A ILE 110.A N GLU 106.A O no hydrogen 3.179 N/A MET 111.A N ALA 107.A O no hydrogen 3.004 N/A ARG 112.A N SER 108.A O no hydrogen 2.723 N/A ARG 112.A NH1.A LEU 237.A O no hydrogen 3.332 N/A ARG 112.A NH1.B LEU 237.A O no hydrogen 2.915 N/A LYS 113.A N ILE 110.A O no hydrogen 2.916 N/A LEU 114.A N ILE 110.A O no hydrogen 3.121 N/A VAL 115.A N MET 111.A O no hydrogen 2.817 N/A SER 116.A N ARG 112.A O no hydrogen 2.926 N/A SER 116.A OG HIS 64.A NE2 no hydrogen 3.161 N/A ALA 117.A N LYS 113.A O no hydrogen 2.732 N/A VAL 118.A N LEU 114.A O no hydrogen 2.770 N/A SER 119.A N VAL 115.A O no hydrogen 2.676 N/A HIS 120.A N SER 116.A O no hydrogen 2.952 N/A MET 121.A N ALA 117.A O no hydrogen 3.059 N/A HIS 122.A N VAL 118.A O no hydrogen 3.164 N/A HIS 122.A NE2 ASP 161.A OD2 no hydrogen 3.174 N/A ASP 123.A N SER 119.A O no hydrogen 3.004 N/A VAL 124.A N HIS 120.A O no hydrogen 2.991 N/A VAL 124.A N MET 121.A O no hydrogen 3.115 N/A GLY 125.A N HIS 122.A O no hydrogen 3.198 N/A VAL 126.A N MET 121.A O no hydrogen 2.786 N/A VAL 127.A N ARG 152.A O no hydrogen 3.140 N/A HIS 128.A N ASP 161.A OD2 no hydrogen 2.771 N/A HIS 128.A NE2 ILE 146.A O no hydrogen 2.849 N/A ARG 129.A N ASP 161.A OD1 no hydrogen 2.743 N/A ARG 129.A NE PHE 150.A O no hydrogen 3.025 N/A ARG 129.A NH2 PHE 150.A O no hydrogen 3.409 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 2.943 N/A ASN 135.A N LYS 132.A O no hydrogen 2.876 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.451 N/A ASN 135.A ND2 ASP 130.A OD2 no hydrogen 3.170 N/A LEU 136.A N PRO 133.A O no hydrogen 3.274 N/A LEU 137.A N LYS 144.A O no hydrogen 2.906 N/A PHE 138.A N GLY 90.A O no hydrogen 2.917 N/A THR 139.A N GLU 142.A O no hydrogen 3.061 N/A THR 139.A OG1 GLU 142.A O no hydrogen 3.367 N/A GLU 142.A N THR 139.A OG1 no hydrogen 3.102 N/A LYS 144.A N LEU 137.A O no hydrogen 2.759 N/A LYS 144.A NZ GLU 85.A OE2 no hydrogen 2.969 N/A ILE 145.A N ASN 66.A O no hydrogen 3.045 N/A ILE 146.A N ASN 135.A O no hydrogen 3.057 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 3.023 N/A ALA 151.A N PHE 148.A O no hydrogen 3.320 N/A ARG 152.A N VAL 127.A O no hydrogen 3.122 N/A LYS 154.A N GLY 125.A O no hydrogen 2.973 N/A GLY 156.A N LYS 154.A O no hydrogen 2.859 N/A CYS 160.A N ASP 157.A O no hydrogen 3.058 N/A LEU 162.A N GLU 158.A O no hydrogen 3.432 N/A TRP 163.A N SER 159.A O no hydrogen 2.947 N/A SER 164.A N CYS 160.A O no hydrogen 3.101 N/A SER 164.A OG CYS 160.A O no hydrogen 3.131 N/A LEU 165.A N ASP 161.A O no hydrogen 3.121 N/A GLY 166.A N LEU 162.A O no hydrogen 3.147 N/A VAL 167.A N TRP 163.A O no hydrogen 3.070 N/A ILE 168.A N SER 164.A O no hydrogen 2.838 N/A LEU 169.A N LEU 165.A O no hydrogen 2.932 N/A TYR 170.A N GLY 166.A O no hydrogen 2.853 N/A TYR 170.A OH SER 197.A O no hydrogen 2.639 N/A THR 171.A N VAL 167.A O no hydrogen 3.201 N/A THR 171.A OG1 VAL 167.A O no hydrogen 3.273 N/A THR 171.A OG1 GLN 176.A O no hydrogen 3.049 N/A MET 172.A N ILE 168.A O no hydrogen 2.822 N/A LEU 173.A N LEU 169.A O no hydrogen 2.967 N/A SER 174.A N TYR 170.A O no hydrogen 3.234 N/A SER 174.A OG TYR 170.A O no hydrogen 2.955 N/A GLY 175.A N THR 171.A O no hydrogen 2.687 N/A GLN 176.A N SER 174.A OG no hydrogen 2.971 N/A GLN 180.A NE2 PRO 178.A O no hydrogen 3.681 N/A CYS 181.A SG THR 182.A O no hydrogen 3.359 N/A THR 182.A N GLN 180.A OE1 no hydrogen 3.162 N/A THR 182.A OG1 GLN 180.A OE1 no hydrogen 3.253 N/A ILE 187.A N SER 183.A O no hydrogen 2.823 N/A MET 188.A N ALA 184.A O no hydrogen 2.988 N/A LYS 190.A N GLU 186.A O no hydrogen 3.315 N/A LYS 190.A NZ PHE 179.A O no hydrogen 3.197 N/A ILE 191.A N ILE 187.A O no hydrogen 3.108 N/A LYS 192.A N MET 188.A O no hydrogen 3.129 N/A GLY 194.A N ILE 191.A O no hydrogen 2.723 N/A ASP 195.A N LYS 190.A O no hydrogen 2.578 N/A PHE 196.A N GLY 194.A O no hydrogen 2.894 N/A TRP 203.A N GLY 200.A O no hydrogen 2.911 N/A SER 207.A N GLU 104.A OE2 no hydrogen 2.920 N/A SER 207.A OG GLU 104.A OE1 no hydrogen 2.734 N/A GLN 208.A NE2 ASP 212.A OD1 no hydrogen 2.935 N/A ALA 210.A N SER 207.A OG no hydrogen 3.217 N/A LYS 211.A N SER 207.A O no hydrogen 3.284 N/A LYS 211.A NZ TRP 203.A O no hydrogen 2.974 N/A LYS 211.A NZ VAL 206.A O no hydrogen 3.301 N/A ASP 212.A N GLN 208.A O no hydrogen 2.768 N/A LEU 213.A N GLU 209.A O no hydrogen 3.035 N/A ILE 214.A N ALA 210.A O no hydrogen 3.051 N/A GLN 215.A N LYS 211.A O no hydrogen 2.930 N/A GLY 216.A N ASP 212.A O no hydrogen 3.004 N/A LEU 217.A N LEU 213.A O no hydrogen 3.061 N/A LEU 217.A N ILE 214.A O no hydrogen 3.146 N/A LEU 218.A N ILE 214.A O no hydrogen 3.029 N/A THR 219.A OG1 GLN 215.A O no hydrogen 2.513 N/A LYS 224.A N ASP 221.A O no hydrogen 2.897 N/A ARG 225.A N ASP 221.A O no hydrogen 3.069 N/A ARG 225.A NE THR 219.A O no hydrogen 2.689 N/A LEU 226.A N GLY 216.A O no hydrogen 2.961 N/A LYS 227.A NZ PRO 222.A O no hydrogen 3.312 N/A LYS 227.A NZ ARG 225.A O no hydrogen 3.564 N/A GLY 230.A N LYS 227.A O no hydrogen 3.138 N/A LEU 231.A N LYS 227.A O no hydrogen 2.969 N/A ARG 232.A N MET 228.A O no hydrogen 3.278 N/A TYR 233.A N GLY 230.A O no hydrogen 3.011 N/A TRP 236.A N ASN 234.A OD1 no hydrogen 2.884 N/A TRP 236.A NE1 GLU 104.A OE1 no hydrogen 2.932 N/A LEU 237.A N ASN 234.A O no hydrogen 3.371 N/A GLN 238.A N GLU 235.A O no hydrogen 3.437 N/A GLN 238.A NE2 ARG 232.A O no hydrogen 3.645 N/A GLN 238.A NE2 ASN 234.A O no hydrogen 2.791 N/A SER 241.A N GLN 238.A O no hydrogen 3.402 N/A SER 241.A OG GLU 235.A O no hydrogen 2.888 N/A ASN 246.A N SER 244.A OG no hydrogen 3.216 N/A ASN 246.A ND2 ASN 205.A O no hydrogen 3.589 N/A LEU 248.A N PHE 102.A O no hydrogen 2.733 N/A THR 250.A OG1 MET 172.A O no hydrogen 2.725 N/A ILE 253.A N MET 249.A O no hydrogen 3.235 N/A LEU 254.A N THR 250.A O no hydrogen 2.981 N/A GLY 255.A N PRO 251.A O no hydrogen 2.915 N/A SER 256.A N ASP 252.A O no hydrogen 2.916 N/A SER 256.A OG ASP 252.A O no hydrogen 3.240 N/A SER 256.A OG ILE 253.A O no hydrogen 3.418 N/A SER 257.A N ILE 253.A O no hydrogen 3.259 N/A SER 257.A OG ILE 253.A O no hydrogen 3.160 N/A SER 257.A OG SER 257.A O no hydrogen 2.523 N/A VAL 261.A N GLY 258.A O no hydrogen 3.257 N/A THR 263.A N ALA 259.A O no hydrogen 3.354 N/A THR 263.A OG1 ALA 259.A O no hydrogen 3.054 N/A CYS 264.A N ALA 260.A O no hydrogen 3.347 N/A VAL 265.A N VAL 261.A O no hydrogen 2.854 N/A VAL 265.A N HIS 262.A O no hydrogen 3.274 N/A LYS 266.A N HIS 262.A O no hydrogen 2.974 N/A LYS 266.A NZ HIS 262.A NE2 no hydrogen 3.303 N/A ALA 267.A N THR 263.A O no hydrogen 3.062 N/A THR 268.A N CYS 264.A O no hydrogen 3.109 N/A THR 268.A OG1 CYS 264.A O no hydrogen 2.692 N/A PHE 269.A N VAL 265.A O no hydrogen 3.059 N/A HIS 270.A N LYS 266.A O no hydrogen 2.859 N/A ALA 271.A N ALA 267.A O no hydrogen 3.111 N/A ALA 271.A N THR 268.A O no hydrogen 3.141 N/A PHE 272.A N THR 268.A O no hydrogen 3.145 N/A ASN 273.A N PHE 269.A O no hydrogen 2.917 N/A