Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gsu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 2.910 N/A HIS 3.A ND1 ASP 29.A OD1 no hydrogen 2.718 N/A SER 4.A N ASP 29.A OD2 no hydrogen 2.804 N/A MET 5.A N CYS 101.A O no hydrogen 3.007 N/A ARG 6.A N TYR 27.A O no hydrogen 3.003 N/A ARG 6.A NE TYR 113.A OH no hydrogen 2.689 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 3.271 N/A TYR 7.A N TYR 99.A O no hydrogen 2.793 N/A PHE 8.A N VAL 25.A O no hydrogen 2.858 N/A PHE 9.A N ARG 97.A O no hydrogen 2.922 N/A THR 10.A N ILE 23.A O no hydrogen 3.021 N/A SER 11.A N VAL 95.A O no hydrogen 2.987 N/A SER 11.A OG HIS 74.A ND1 no hydrogen 2.915 N/A VAL 12.A N ARG 21.A O no hydrogen 2.923 N/A SER 13.A N HIS 93.A O no hydrogen 2.874 N/A SER 13.A OG HIS 93.A O no hydrogen 3.346 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.195 N/A ARG 14.A NH2 ASP 39.A OD2 no hydrogen 2.992 N/A ARG 21.A N VAL 12.A O no hydrogen 2.985 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.863 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.253 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.719 N/A PHE 22.A N SER 38.A OG no hydrogen 2.753 N/A ILE 23.A N THR 10.A O no hydrogen 2.973 N/A ALA 24.A N PHE 36.A O no hydrogen 2.889 N/A VAL 25.A N PHE 8.A O no hydrogen 2.945 N/A GLY 26.A N VAL 34.A O no hydrogen 3.152 N/A TYR 27.A N ARG 6.A O no hydrogen 2.790 N/A VAL 28.A N THR 31.A O no hydrogen 2.927 N/A ASP 29.A N SER 4.A O no hydrogen 2.855 N/A THR 31.A N VAL 28.A O no hydrogen 2.883 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.765 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.133 N/A PHE 33.A N GLY 26.A O no hydrogen 2.891 N/A ARG 35.A N GLU 46.A O no hydrogen 3.041 N/A ARG 35.A NH1 GLU 46.A OE1 no hydrogen 2.835 N/A PHE 36.A N ALA 24.A O no hydrogen 2.895 N/A SER 38.A N PHE 22.A O no hydrogen 2.860 N/A SER 38.A OG PHE 22.A O no hydrogen 3.315 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.844 N/A ALA 40.A N ASP 37.A O no hydrogen 3.122 N/A SER 42.A OG GLU 46.A OE1 no hydrogen 3.465 N/A ARG 44.A N SER 42.A OG no hydrogen 3.265 N/A ARG 44.A NH2 ASP 61.A OD2 no hydrogen 2.542 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.992 N/A GLU 46.A N ARG 35.A O no hydrogen 2.875 N/A ARG 48.A N PHE 33.A O no hydrogen 2.764 N/A ARG 48.A NH1 GLU 46.A OE2 no hydrogen 3.548 N/A ARG 48.A NH2 GLU 46.A OE2 no hydrogen 3.506 N/A ARG 48.A NH2 PRO 47.A O no hydrogen 2.929 N/A ILE 52.A N ALA 49.A O no hydrogen 3.168 N/A GLU 53.A N PRO 50.A O no hydrogen 3.113 N/A GLU 55.A N ILE 52.A O no hydrogen 3.075 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.754 N/A TRP 60.A N GLY 56.A O no hydrogen 3.378 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.171 N/A ASP 61.A N PRO 57.A O no hydrogen 2.894 N/A GLY 62.A N GLU 58.A O no hydrogen 2.876 N/A GLU 63.A N TYR 59.A O no hydrogen 2.787 N/A THR 64.A N TRP 60.A O no hydrogen 3.013 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.740 N/A ARG 65.A N ASP 61.A O no hydrogen 3.025 N/A LYS 66.A N GLY 62.A O no hydrogen 3.100 N/A LYS 66.A NZ GLU 63.A OE1 no hydrogen 2.786 N/A VAL 67.A N GLU 63.A O no hydrogen 2.887 N/A LYS 68.A N THR 64.A O no hydrogen 3.010 N/A LYS 68.A NZ GLN 43.A O no hydrogen 3.424 N/A ALA 69.A N ARG 65.A O no hydrogen 3.007 N/A HIS 70.A N LYS 66.A O no hydrogen 2.823 N/A HIS 70.A ND1 LYS 66.A O no hydrogen 2.841 N/A HIS 70.A NE2 TYR 99.A OH no hydrogen 2.835 N/A SER 71.A N VAL 67.A O no hydrogen 3.000 N/A SER 71.A OG.B LYS 68.A O no hydrogen 2.588 N/A GLN 72.A N LYS 68.A O no hydrogen 2.993 N/A GLN 72.A NE2 GLU 19.A OE1 no hydrogen 3.188 N/A THR 73.A N ALA 69.A O no hydrogen 3.085 N/A THR 73.A OG1 ALA 69.A O no hydrogen 3.348 N/A HIS 74.A N HIS 70.A O no hydrogen 3.073 N/A HIS 74.A ND1 SER 11.A OG no hydrogen 2.915 N/A ARG 75.A N SER 71.A O no hydrogen 2.984 N/A ARG 75.A NE GLN 72.A OE1 no hydrogen 2.713 N/A ARG 75.A NH2 GLN 72.A OE1 no hydrogen 3.388 N/A VAL 76.A N GLN 72.A O no hydrogen 3.066 N/A ASP 77.A N THR 73.A O no hydrogen 2.863 N/A LEU 78.A N HIS 74.A O no hydrogen 2.956 N/A GLY 79.A N ARG 75.A O no hydrogen 3.467 N/A THR 80.A N VAL 76.A O no hydrogen 2.964 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.124 N/A LEU 81.A N ASP 77.A O no hydrogen 2.829 N/A ARG 82.A N LEU 78.A O no hydrogen 3.194 N/A GLY 83.A N GLY 79.A O no hydrogen 3.169 N/A TYR 84.A N THR 80.A O no hydrogen 2.811 N/A TYR 85.A N LEU 81.A O no hydrogen 2.947 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.312 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.565 N/A ASN 86.A N GLY 83.A O no hydrogen 3.256 N/A GLN 87.A N ARG 82.A O no hydrogen 2.942 N/A ALA 90.A N SER 88.A OG no hydrogen 3.217 N/A SER 92.A OG SER 13.A O no hydrogen 2.973 N/A HIS 93.A N SER 13.A OG no hydrogen 2.781 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.779 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.947 N/A VAL 95.A N SER 11.A O no hydrogen 3.001 N/A GLN 96.A N ALA 117.A O no hydrogen 2.999 N/A ARG 97.A N PHE 9.A O no hydrogen 2.947 N/A ARG 97.A NE HIS 74.A NE2 no hydrogen 3.025 N/A ARG 97.A NH2 HIS 114.A NE2 no hydrogen 3.172 N/A MET 98.A N GLN 115.A O no hydrogen 2.941 N/A TYR 99.A N TYR 7.A O no hydrogen 3.155 N/A TYR 99.A OH HIS 70.A NE2 no hydrogen 2.835 N/A GLY 100.A N TYR 113.A O no hydrogen 3.204 N/A CYS 101.A N MET 5.A O no hydrogen 2.997 N/A ASP 102.A N ARG 111.A O no hydrogen 2.773 N/A VAL 103.A N HIS 3.A O no hydrogen 2.837 N/A GLY 104.A N ARG 108.A O no hydrogen 3.235 N/A TRP 107.A N GLY 104.A O no hydrogen 2.823 N/A ARG 108.A N ASP 106.A OD2 no hydrogen 3.240 N/A LEU 110.A N ASP 102.A O no hydrogen 2.845 N/A ARG 111.A N ASP 102.A O no hydrogen 3.397 N/A TYR 113.A N GLY 100.A O no hydrogen 3.074 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 2.645 N/A GLN 115.A N MET 98.A O no hydrogen 2.814 N/A TYR 116.A N ILE 124.A O no hydrogen 2.958 N/A ALA 117.A N GLN 96.A O no hydrogen 2.853 N/A TYR 118.A N LYS 121.A O no hydrogen 2.998 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.554 N/A ASP 119.A N THR 94.A O no hydrogen 2.879 N/A LYS 121.A N TYR 118.A O no hydrogen 3.108 N/A TYR 123.A N TYR 116.A O no hydrogen 2.929 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.790 N/A ILE 124.A N TYR 116.A O no hydrogen 3.332 N/A ALA 125.A N THR 134.A O no hydrogen 3.025 N/A LEU 126.A N HIS 114.A O no hydrogen 2.898 N/A LYS 127.A N SER 132.A O no hydrogen 2.826 N/A LEU 130.A N LYS 127.A O no hydrogen 2.893 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.779 N/A THR 134.A N ALA 125.A O no hydrogen 2.763 N/A ALA 136.A N TYR 123.A O no hydrogen 3.168 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.983 N/A GLN 141.A N ASP 137.A O no hydrogen 2.966 N/A THR 142.A N MET 138.A O no hydrogen 3.104 N/A THR 142.A OG1.B ALA 139.A O no hydrogen 2.607 N/A THR 143.A N ALA 139.A O no hydrogen 3.228 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.790 N/A LYS 144.A N ALA 140.A O no hydrogen 2.831 N/A LYS 144.A NZ TRP 133.A O no hydrogen 2.723 N/A HIS 145.A N GLN 141.A O no hydrogen 2.997 N/A LYS 146.A N THR 142.A O no hydrogen 3.098 N/A TRP 147.A N THR 143.A O no hydrogen 2.875 N/A GLU 148.A N LYS 144.A O no hydrogen 2.841 N/A ALA 149.A N HIS 145.A O no hydrogen 3.078 N/A ALA 150.A N LYS 146.A O no hydrogen 3.229 N/A HIS 151.A N GLU 148.A O no hydrogen 3.133 N/A HIS 151.A ND1 GLU 154.A OE2 no hydrogen 2.797 N/A VAL 152.A N TRP 147.A O no hydrogen 2.948 N/A LEU 156.A N VAL 152.A O no hydrogen 3.070 N/A ARG 157.A N ALA 153.A O no hydrogen 2.839 N/A ALA 158.A N GLU 154.A O no hydrogen 3.195 N/A TYR 159.A N GLN 155.A O no hydrogen 3.221 N/A LEU 160.A N LEU 156.A O no hydrogen 2.818 N/A GLU 161.A N ARG 157.A O no hydrogen 2.981 N/A GLY 162.A N ALA 158.A O no hydrogen 2.967 N/A CYS 164.A N TYR 159.A O no hydrogen 2.864 N/A GLU 166.A N GLY 162.A O no hydrogen 2.906 N/A TRP 167.A N THR 163.A O no hydrogen 2.912 N/A LEU 168.A N CYS 164.A O no hydrogen 2.921 N/A ARG 169.A N VAL 165.A O no hydrogen 2.964 N/A ARG 170.A N GLU 166.A O no hydrogen 3.047 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 3.017 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 2.879 N/A TYR 171.A N TRP 167.A O no hydrogen 2.889 N/A LEU 172.A N LEU 168.A O no hydrogen 2.860 N/A GLU 173.A N ARG 169.A O no hydrogen 3.168 N/A ASN 174.A N ARG 170.A O no hydrogen 2.992 N/A GLY 175.A N TYR 171.A O no hydrogen 2.805 N/A LYS 176.A N GLU 173.A O no hydrogen 3.221 N/A THR 178.A N GLY 175.A O no hydrogen 3.011 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.220 N/A LEU 179.A N GLY 175.A O no hydrogen 2.765 N/A GLN 180.A N LYS 176.A O no hydrogen 3.145 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 2.870 N/A ARG 181.A N THR 178.A O no hydrogen 3.234 N/A ARG 181.A NE ASP 183.A OD1 no hydrogen 2.915 N/A ARG 181.A NH1 ASP 183.A OD1 no hydrogen 3.451 N/A ARG 181.A NH1 ASP 183.A OD2 no hydrogen 3.239 N/A ASP 183.A N TYR 209.A O no hydrogen 2.819 N/A LYS 186.A N LEU 206.A O no hydrogen 2.799 N/A HIS 188.A N TRP 204.A O no hydrogen 3.268 N/A THR 190.A N ARG 202.A O no hydrogen 2.828 N/A HIS 191.A NE2 GLU 254.A OE2 no hydrogen 3.004 N/A HIS 192.A N THR 200.A O no hydrogen 2.856 N/A VAL 194.A N GLU 198.A O no hydrogen 3.123 N/A ALA 199.A N VAL 249.A O no hydrogen 2.810 N/A THR 200.A N HIS 192.A O no hydrogen 2.688 N/A LEU 201.A N VAL 247.A O no hydrogen 2.882 N/A ARG 202.A N THR 190.A O no hydrogen 2.862 N/A CYS 203.A N VAL 245.A O no hydrogen 2.778 N/A TRP 204.A N HIS 188.A O no hydrogen 2.742 N/A ALA 205.A N LYS 243.A O no hydrogen 2.847 N/A LEU 206.A N LYS 186.A O no hydrogen 2.921 N/A PHE 208.A N PHE 241.A O no hydrogen 3.274 N/A TYR 209.A N ASP 183.A O no hydrogen 2.967 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.765 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.897 N/A THR 214.A N GLN 262.A O no hydrogen 3.035 N/A THR 216.A N HIS 260.A O no hydrogen 3.094 N/A TRP 217.A NE1 VAL 245.A O no hydrogen 3.285 N/A GLN 218.A N THR 258.A O no hydrogen 2.820 N/A ARG 219.A N GLU 222.A O no hydrogen 2.733 N/A ARG 219.A NH1.A ASP 220.A OD2 no hydrogen 2.941 N/A ARG 219.A NH1.B GLN 224.A OE1 no hydrogen 2.802 N/A ASP 220.A N ARG 256.A O no hydrogen 2.816 N/A GLU 222.A N ARG 219.A O no hydrogen 2.974 N/A GLN 224.A N TRP 217.A O no hydrogen 2.968 N/A GLN 224.A NE2 GLN 226.A O no hydrogen 2.889 N/A THR 228.A N THR 225.A O no hydrogen 3.279 N/A THR 228.A OG1 THR 225.A O no hydrogen 2.554 N/A GLU 229.A N ALA 246.A O no hydrogen 2.972 N/A VAL 231.A N TRP 244.A O no hydrogen 3.158 N/A ARG 234.A N GLN 242.A O no hydrogen 2.975 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.893 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.098 N/A ALA 236.A N THR 240.A O no hydrogen 2.877 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.110 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.644 N/A PHE 241.A N PHE 208.A O no hydrogen 2.868 N/A GLN 242.A N ARG 234.A O no hydrogen 2.821 N/A LYS 243.A N ALA 205.A O no hydrogen 2.960 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.823 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.046 N/A VAL 245.A N CYS 203.A O no hydrogen 3.053 N/A ALA 246.A N GLU 229.A O no hydrogen 2.814 N/A VAL 247.A N LEU 201.A O no hydrogen 2.872 N/A VAL 248.A N ASP 227.A O no hydrogen 3.062 N/A VAL 249.A N ALA 199.A O no hydrogen 2.838 N/A SER 251.A N HIS 197.A O no hydrogen 2.919 N/A GLY 252.A N GLU 254.A OE1 no hydrogen 2.912 N/A GLN 253.A N PRO 250.A O no hydrogen 3.072 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.816 N/A GLN 255.A NE2 GLY 252.A O no hydrogen 3.353 N/A ARG 256.A N GLN 253.A O no hydrogen 3.086 N/A ARG 256.A NE GLN 253.A OE1 no hydrogen 2.676 N/A ARG 256.A NH1 GLN 253.A OE1 no hydrogen 3.101 N/A ARG 256.A NH2 ASP 220.A OD2 no hydrogen 2.986 N/A TYR 257.A N GLU 254.A O no hydrogen 3.151 N/A THR 258.A N GLN 218.A O no hydrogen 2.941 N/A CYS 259.A N LEU 272.A O no hydrogen 2.963 N/A CYS 259.A SG THR 216.A O no hydrogen 3.976 N/A HIS 260.A N THR 216.A O no hydrogen 2.840 N/A VAL 261.A N LEU 270.A O no hydrogen 2.904 N/A GLN 262.A N THR 214.A O no hydrogen 2.877 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.877 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 2.965 N/A LEU 266.A N HIS 263.A O no hydrogen 2.841 N/A LEU 270.A N VAL 261.A O no hydrogen 2.976 N/A LEU 272.A N CYS 259.A O no hydrogen 2.860 N/A