Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 101.A OE2 no hydrogen 2.658 N/A THR 1.A OG1 GLU 101.A OE2 no hydrogen 3.497 N/A HIS 2.A ND1 ASP 28.A OD2 no hydrogen 3.153 N/A SER 3.A N ASP 28.A OD1 no hydrogen 3.035 N/A SER 3.A OG ASP 28.A OD1 no hydrogen 3.451 N/A LEU 4.A N CYS 97.A O no hydrogen 2.919 N/A ARG 5.A N TYR 26.A O no hydrogen 3.019 N/A TYR 6.A N ILE 95.A O no hydrogen 3.222 N/A PHE 7.A N VAL 24.A O no hydrogen 2.911 N/A ARG 8.A N ARG 93.A O no hydrogen 3.089 N/A LEU 9.A N ILE 22.A O no hydrogen 2.941 N/A GLY 10.A N TYR 91.A O no hydrogen 2.822 N/A VAL 11.A N GLU 20.A O no hydrogen 3.079 N/A SER 12.A N HIS 89.A O no hydrogen 3.120 N/A SER 12.A OG GLN 80.A OE1 no hydrogen 2.648 N/A ASP 13.A N SER 88.A OG no hydrogen 2.860 N/A GLY 17.A N HIS 16.A ND1 no hydrogen 3.222 N/A VAL 18.A N HIS 16.A O no hydrogen 2.820 N/A PHE 21.A N SER 37.A OG no hydrogen 2.934 N/A ILE 22.A N LEU 9.A O no hydrogen 3.097 N/A SER 23.A N TYR 35.A O no hydrogen 2.789 N/A SER 23.A OG PHE 7.A O no hydrogen 2.852 N/A VAL 24.A N PHE 7.A O no hydrogen 3.310 N/A GLY 25.A N THR 33.A O no hydrogen 3.263 N/A TYR 26.A N ARG 5.A O no hydrogen 2.794 N/A VAL 27.A N HIS 30.A O no hydrogen 2.993 N/A ASP 28.A N SER 3.A O no hydrogen 2.718 N/A SER 29.A OG TYR 237.A OH no hydrogen 3.304 N/A HIS 30.A N VAL 27.A O no hydrogen 2.940 N/A HIS 30.A NE2 TYR 205.A OH no hydrogen 2.815 N/A ILE 32.A N GLY 25.A O no hydrogen 2.918 N/A THR 34.A N GLU 43.A O no hydrogen 2.931 N/A TYR 35.A OH GLN 69.A OE1 no hydrogen 2.697 N/A SER 37.A N PHE 21.A O no hydrogen 2.934 N/A SER 37.A OG PHE 21.A O no hydrogen 3.278 N/A VAL 38.A N ASP 36.A OD2 no hydrogen 3.230 N/A THR 39.A N ASP 36.A OD2 no hydrogen 2.808 N/A THR 39.A OG1 ASP 36.A OD1 no hydrogen 3.127 N/A THR 39.A OG1 THR 39.A O no hydrogen 2.437 N/A GLN 41.A N THR 39.A O no hydrogen 2.632 N/A LYS 42.A N THR 62.A OG1 no hydrogen 2.985 N/A GLU 43.A N THR 34.A O no hydrogen 2.909 N/A ARG 45.A N ILE 32.A O no hydrogen 2.729 N/A MET 49.A N ALA 46.A O no hydrogen 3.406 N/A GLU 51.A N PRO 47.A O no hydrogen 3.262 N/A ASN 52.A ND2 TRP 48.A O no hydrogen 2.697 N/A HIS 57.A N ALA 54.A O no hydrogen 3.103 N/A GLU 59.A N PRO 55.A O no hydrogen 3.194 N/A ARG 60.A N ASP 56.A O no hydrogen 3.035 N/A TYR 61.A N HIS 57.A O no hydrogen 3.219 N/A THR 62.A N TRP 58.A O no hydrogen 2.811 N/A THR 62.A OG1 TRP 58.A O no hydrogen 2.791 N/A GLN 63.A N GLU 59.A O no hydrogen 3.293 N/A GLN 63.A NE2 GLU 59.A O no hydrogen 3.141 N/A LEU 64.A N ARG 60.A O no hydrogen 3.241 N/A LEU 65.A N TYR 61.A O no hydrogen 3.132 N/A ARG 66.A N THR 62.A O no hydrogen 2.989 N/A ARG 66.A NE ARG 40.A O no hydrogen 2.969 N/A ARG 66.A NH2 ARG 40.A O no hydrogen 2.905 N/A GLY 67.A N LEU 64.A O no hydrogen 3.268 N/A TRP 68.A N LEU 64.A O no hydrogen 3.076 N/A GLN 69.A N LEU 65.A O no hydrogen 2.737 N/A MET 71.A N GLY 67.A O no hydrogen 3.118 N/A PHE 72.A N TRP 68.A O no hydrogen 3.137 N/A LYS 73.A N GLN 69.A O no hydrogen 3.234 N/A VAL 74.A N GLN 70.A O no hydrogen 3.194 N/A GLU 75.A N MET 71.A O no hydrogen 2.809 N/A LEU 76.A N PHE 72.A O no hydrogen 3.037 N/A LYS 77.A N LYS 73.A O no hydrogen 3.024 N/A ARG 78.A N VAL 74.A O no hydrogen 3.083 N/A LEU 79.A N GLU 75.A O no hydrogen 3.396 N/A GLN 80.A N LEU 76.A O no hydrogen 3.305 N/A GLN 80.A NE2 HIS 85.A O no hydrogen 3.636 N/A GLN 80.A NE2 GLY 87.A O no hydrogen 3.406 N/A ARG 81.A N ARG 78.A O no hydrogen 3.289 N/A HIS 82.A N ARG 78.A O no hydrogen 3.121 N/A TYR 83.A N LEU 79.A O no hydrogen 3.205 N/A TYR 83.A OH ASP 132.A OD1 no hydrogen 2.708 N/A TYR 83.A OH ASP 132.A OD2 no hydrogen 3.359 N/A HIS 85.A N GLN 80.A O no hydrogen 2.974 N/A THR 90.A N ASP 114.A OD1 no hydrogen 3.379 N/A TYR 91.A N GLY 10.A O no hydrogen 2.958 N/A GLN 92.A N ALA 112.A O no hydrogen 2.868 N/A GLN 92.A NE2 ALA 112.A O no hydrogen 3.674 N/A ARG 93.A N ARG 8.A O no hydrogen 3.033 N/A ARG 93.A NE TYR 111.A OH no hydrogen 3.462 N/A MET 94.A N GLN 110.A O no hydrogen 2.877 N/A ILE 95.A N TYR 6.A O no hydrogen 3.303 N/A CYS 97.A N LEU 4.A O no hydrogen 2.955 N/A LEU 99.A N HIS 2.A O no hydrogen 2.690 N/A LEU 100.A N SER 104.A O no hydrogen 3.043 N/A GLY 103.A N LEU 100.A O no hydrogen 2.920 N/A SER 104.A OG ASP 102.A OD2 no hydrogen 2.631 N/A THR 106.A N GLU 98.A O no hydrogen 3.326 N/A PHE 108.A N GLY 96.A O no hydrogen 2.856 N/A GLN 110.A N MET 94.A O no hydrogen 2.939 N/A TYR 111.A N LEU 119.A O no hydrogen 2.843 N/A ALA 112.A N GLN 92.A O no hydrogen 2.799 N/A TYR 113.A N GLN 116.A O no hydrogen 3.089 N/A TYR 113.A OH HIS 85.A ND1 no hydrogen 2.691 N/A ASP 114.A N THR 90.A O no hydrogen 2.779 N/A GLN 116.A N TYR 113.A O no hydrogen 3.321 N/A PHE 118.A N TYR 111.A O no hydrogen 2.926 N/A LEU 119.A N TYR 111.A O no hydrogen 3.407 N/A ILE 120.A N LEU 129.A O no hydrogen 3.319 N/A PHE 121.A N LEU 109.A O no hydrogen 2.882 N/A ASN 122.A N SER 127.A O no hydrogen 2.857 N/A LYS 123.A NZ ASP 124.A OD2 no hydrogen 3.235 N/A THR 125.A OG1 ASN 122.A OD1 no hydrogen 2.705 N/A THR 125.A OG1 SER 127.A OG no hydrogen 2.726 N/A SER 127.A N ASN 122.A O no hydrogen 3.105 N/A SER 127.A OG THR 125.A OG1 no hydrogen 2.726 N/A LEU 129.A N ILE 120.A O no hydrogen 2.826 N/A VAL 131.A N PHE 118.A O no hydrogen 3.127 N/A ALA 135.A N ASP 132.A OD2 no hydrogen 3.283 N/A HIS 136.A N ASP 132.A O no hydrogen 3.318 N/A THR 137.A N ASN 133.A O no hydrogen 3.234 N/A THR 137.A N VAL 134.A O no hydrogen 2.967 N/A THR 137.A OG1 ASN 133.A O no hydrogen 3.186 N/A THR 137.A OG1 VAL 134.A O no hydrogen 2.705 N/A ILE 138.A N VAL 134.A O no hydrogen 3.180 N/A LYS 139.A N ALA 135.A O no hydrogen 2.700 N/A LYS 139.A NZ TRP 128.A O no hydrogen 2.706 N/A LYS 139.A NZ GLU 143.A OE1 no hydrogen 2.818 N/A GLN 140.A N HIS 136.A O no hydrogen 3.131 N/A ALA 141.A N THR 137.A O no hydrogen 3.320 N/A TRP 142.A N ILE 138.A O no hydrogen 3.133 N/A GLU 143.A N LYS 139.A O no hydrogen 2.876 N/A LEU 149.A N ASN 145.A O no hydrogen 3.520 N/A LEU 150.A N GLN 146.A O no hydrogen 2.939 N/A TYR 151.A N HIS 147.A O no hydrogen 2.789 N/A GLN 152.A N GLU 148.A O no hydrogen 2.802 N/A GLN 152.A NE2 GLU 148.A O no hydrogen 3.420 N/A LYS 153.A N LEU 149.A O no hydrogen 2.904 N/A LYS 153.A NZ LYS 123.A O no hydrogen 2.750 N/A ASN 154.A N LEU 150.A O no hydrogen 2.847 N/A TRP 155.A N TYR 151.A O no hydrogen 2.904 N/A LEU 156.A N GLN 152.A O no hydrogen 3.151 N/A GLU 157.A N LYS 153.A O no hydrogen 2.918 N/A GLU 158.A N ASN 154.A O no hydrogen 2.774 N/A CYS 160.A N TRP 155.A O no hydrogen 2.594 N/A ILE 161.A N GLU 158.A O no hydrogen 3.110 N/A ALA 162.A N GLU 158.A O no hydrogen 3.448 N/A TRP 163.A N GLU 159.A O no hydrogen 3.046 N/A LEU 164.A N CYS 160.A O no hydrogen 3.116 N/A LYS 165.A N ILE 161.A O no hydrogen 3.054 N/A ARG 166.A N ALA 162.A O no hydrogen 3.187 N/A PHE 167.A N TRP 163.A O no hydrogen 3.028 N/A LEU 168.A N LEU 164.A O no hydrogen 2.848 N/A GLU 169.A N LYS 165.A O no hydrogen 3.193 N/A GLU 169.A N ARG 166.A O no hydrogen 3.010 N/A TYR 170.A N PHE 167.A O no hydrogen 3.126 N/A GLY 171.A N LEU 168.A O no hydrogen 3.175 N/A THR 174.A N ASP 173.A OD1 no hydrogen 2.726 N/A THR 174.A OG1 ASP 173.A OD1 no hydrogen 3.147 N/A THR 178.A N GLN 176.A OE1 no hydrogen 2.939 N/A LEU 182.A N HIS 202.A O no hydrogen 2.830 N/A ARG 184.A N LYS 200.A O no hydrogen 2.993 N/A ASN 186.A N PHE 198.A O no hydrogen 2.890 N/A ARG 187.A NH2 PRO 265.A O no hydrogen 3.056 N/A LYS 188.A N ALA 196.A O no hydrogen 2.811 N/A VAL 194.A N PHE 191.A O no hydrogen 2.460 N/A ALA 196.A N LYS 188.A O no hydrogen 2.881 N/A LEU 197.A N ILE 243.A O no hydrogen 2.954 N/A PHE 198.A N ASN 186.A O no hydrogen 3.268 N/A CYS 199.A N ALA 241.A O no hydrogen 3.023 N/A LYS 200.A N ARG 184.A O no hydrogen 2.808 N/A ALA 201.A N ALA 239.A O no hydrogen 2.960 N/A HIS 202.A N LEU 182.A O no hydrogen 3.292 N/A HIS 202.A ND1 LEU 182.A O no hydrogen 2.854 N/A TYR 205.A N GLU 179.A O no hydrogen 2.858 N/A TYR 205.A OH HIS 30.A NE2 no hydrogen 2.815 N/A TYR 210.A N GLU 254.A O no hydrogen 3.257 N/A TYR 210.A OH GLU 208.A OE2 no hydrogen 2.735 N/A THR 212.A N HIS 252.A O no hydrogen 2.981 N/A TRP 213.A NE1 ALA 241.A O no hydrogen 3.004 N/A MET 214.A N SER 250.A O no hydrogen 2.819 N/A ASN 216.A N LEU 248.A O no hydrogen 2.870 N/A GLU 218.A N LYS 215.A O no hydrogen 2.893 N/A GLU 223.A N ILE 220.A O no hydrogen 3.015 N/A ILE 224.A N ILE 220.A O no hydrogen 3.297 N/A ASP 225.A N SER 242.A O no hydrogen 3.054 N/A GLY 227.A N TRP 240.A O no hydrogen 2.858 N/A LEU 230.A N GLN 238.A O no hydrogen 2.826 N/A SER 232.A N THR 236.A O no hydrogen 3.171 N/A SER 232.A OG THR 236.A O no hydrogen 3.145 N/A SER 232.A OG GLN 238.A OE1 no hydrogen 3.261 N/A THR 236.A N ASP 234.A OD1 no hydrogen 3.295 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.687 N/A TYR 237.A N PHE 204.A O no hydrogen 2.938 N/A TYR 237.A OH SER 29.A OG no hydrogen 3.304 N/A GLN 238.A N LEU 230.A O no hydrogen 3.023 N/A ALA 239.A N ALA 201.A O no hydrogen 2.927 N/A ALA 241.A N CYS 199.A O no hydrogen 3.200 N/A SER 242.A N ASP 225.A O no hydrogen 2.910 N/A SER 242.A OG ASP 225.A O no hydrogen 3.184 N/A ILE 243.A N LEU 197.A O no hydrogen 3.138 N/A LEU 245.A N THR 195.A O no hydrogen 3.119 N/A LEU 248.A N ASN 216.A OD1 no hydrogen 3.120 N/A SER 250.A N MET 214.A O no hydrogen 3.188 N/A SER 250.A OG MET 214.A O no hydrogen 3.478 N/A SER 250.A OG HIS 252.A NE2 no hydrogen 3.263 N/A CYS 251.A N LEU 262.A O no hydrogen 2.713 N/A CYS 251.A SG THR 212.A O no hydrogen 3.955 N/A HIS 252.A N THR 212.A O no hydrogen 2.816 N/A VAL 253.A N MET 260.A O no hydrogen 2.885 N/A GLU 254.A N TYR 210.A O no hydrogen 2.935 N/A HIS 255.A N VAL 258.A O no hydrogen 2.976 N/A HIS 255.A NE2 PRO 206.A O no hydrogen 3.021 N/A SER 256.A OG ARG 177.A O no hydrogen 2.805 N/A VAL 258.A N HIS 255.A O no hydrogen 3.113 N/A HIS 259.A NE2 GLU 254.A OE2 no hydrogen 2.684 N/A MET 260.A N VAL 253.A O no hydrogen 2.928 N/A LEU 262.A N CYS 251.A O no hydrogen 2.773 N/A VAL 264.A N TYR 249.A O no hydrogen 3.477 N/A