Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u0p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N CYS 97.A O no hydrogen 2.635 N/A ARG 6.A N TRP 26.A O no hydrogen 2.751 N/A CYS 7.A N ALA 95.A O no hydrogen 2.630 N/A LEU 8.A N LEU 24.A O no hydrogen 2.757 N/A GLN 9.A N VAL 93.A O no hydrogen 3.012 N/A GLN 9.A NE2 SER 11.A OG no hydrogen 2.698 N/A ILE 10.A N ASP 22.A O no hydrogen 2.681 N/A SER 11.A N LEU 91.A O no hydrogen 2.992 N/A SER 11.A OG THR 21.A OG1 no hydrogen 3.193 N/A SER 12.A N ARG 20.A O no hydrogen 2.700 N/A SER 12.A OG GLU 90.A OE2 no hydrogen 2.695 N/A PHE 13.A N LEU 89.A O no hydrogen 2.941 N/A ALA 14.A N TRP 18.A O no hydrogen 3.130 N/A SER 17.A N ASN 15.A OD1 no hydrogen 2.668 N/A TRP 18.A N ASN 15.A OD1 no hydrogen 2.839 N/A ARG 20.A N SER 12.A O no hydrogen 2.899 N/A THR 21.A OG1 SER 11.A OG no hydrogen 3.193 N/A ASP 22.A N ILE 10.A O no hydrogen 2.997 N/A GLY 23.A N TRP 35.A O no hydrogen 2.771 N/A LEU 24.A N LEU 8.A O no hydrogen 3.000 N/A ALA 25.A N HIS 33.A O no hydrogen 3.031 N/A TRP 26.A N ARG 6.A O no hydrogen 2.806 N/A LEU 27.A N LEU 30.A O no hydrogen 2.765 N/A GLY 28.A N PRO 4.A O no hydrogen 2.935 N/A LEU 30.A N LEU 27.A O no hydrogen 3.173 N/A GLN 31.A NE2 HIS 33.A O no hydrogen 3.281 N/A THR 32.A N ALA 25.A O no hydrogen 2.805 N/A THR 32.A OG1 ALA 25.A O no hydrogen 3.290 N/A THR 32.A OG1 HIS 33.A ND1 no hydrogen 2.606 N/A HIS 33.A N ALA 25.A O no hydrogen 3.302 N/A HIS 33.A ND1 THR 32.A OG1 no hydrogen 2.606 N/A SER 34.A N ARG 43.A O no hydrogen 2.815 N/A TRP 35.A N GLY 23.A O no hydrogen 2.680 N/A GLN 37.A N ASP 22.A OD1 no hydrogen 3.310 N/A ASP 38.A N SER 36.A OG no hydrogen 3.131 N/A SER 39.A OG THR 41.A O no hydrogen 3.233 N/A THR 41.A N SER 39.A OG no hydrogen 2.932 N/A THR 41.A OG1 SER 39.A OG no hydrogen 2.448 N/A ARG 43.A N SER 34.A O no hydrogen 2.644 N/A LEU 45.A N THR 32.A O no hydrogen 2.993 N/A LYS 46.A N SER 49.A OG no hydrogen 2.992 N/A LYS 46.A NZ GLU 236.A OE1 no hydrogen 3.217 N/A LYS 46.A NZ GLU 236.A OE2 no hydrogen 2.970 N/A TRP 48.A NE1 GLU 175.A OE1 no hydrogen 2.625 N/A SER 49.A N LYS 46.A O no hydrogen 2.709 N/A SER 49.A OG THR 32.A O no hydrogen 2.603 N/A GLY 51.A N TRP 48.A O no hydrogen 3.129 N/A SER 54.A N GLN 57.A OE1 no hydrogen 3.319 N/A SER 54.A OG GLN 57.A OE1 no hydrogen 3.413 N/A GLN 57.A N SER 54.A OG no hydrogen 2.925 N/A TRP 58.A N SER 54.A O no hydrogen 2.850 N/A GLU 59.A N ASP 55.A O no hydrogen 2.440 N/A THR 60.A N GLN 56.A O no hydrogen 3.089 N/A THR 60.A OG1 GLN 56.A O no hydrogen 3.360 N/A LEU 61.A N GLN 57.A O no hydrogen 3.300 N/A GLN 62.A N TRP 58.A O no hydrogen 3.065 N/A HIS 63.A N GLU 59.A O no hydrogen 3.377 N/A ILE 64.A N THR 60.A O no hydrogen 2.741 N/A PHE 65.A N LEU 61.A O no hydrogen 3.037 N/A ARG 66.A NE ASP 40.A O no hydrogen 2.510 N/A VAL 67.A N HIS 63.A O no hydrogen 3.217 N/A TYR 68.A N ILE 64.A O no hydrogen 2.980 N/A TYR 68.A OH GLN 9.A OE1 no hydrogen 2.814 N/A ARG 69.A N PHE 65.A O no hydrogen 2.705 N/A ARG 69.A NH1 SER 36.A O no hydrogen 3.258 N/A SER 70.A N ARG 66.A O no hydrogen 3.144 N/A SER 70.A OG ARG 66.A O no hydrogen 3.413 N/A SER 70.A OG VAL 67.A O no hydrogen 3.031 N/A SER 71.A N VAL 67.A O no hydrogen 2.918 N/A SER 71.A OG VAL 67.A O no hydrogen 2.770 N/A PHE 72.A N TYR 68.A O no hydrogen 2.837 N/A THR 73.A N ARG 69.A O no hydrogen 3.189 N/A THR 73.A OG1 ARG 69.A O no hydrogen 2.703 N/A ARG 74.A N SER 70.A O no hydrogen 3.043 N/A ARG 74.A NE ASP 75.A OD1 no hydrogen 3.205 N/A ASP 75.A N SER 71.A O no hydrogen 2.856 N/A VAL 76.A N PHE 72.A O no hydrogen 2.909 N/A LYS 77.A N THR 73.A O no hydrogen 3.198 N/A LYS 77.A NZ SER 16.A O no hydrogen 3.021 N/A GLU 78.A N ARG 74.A O no hydrogen 2.993 N/A PHE 79.A N ASP 75.A O no hydrogen 2.921 N/A ALA 80.A N VAL 76.A O no hydrogen 2.803 N/A LYS 81.A N LYS 77.A O no hydrogen 3.093 N/A MET 82.A N GLU 78.A O no hydrogen 2.925 N/A LEU 83.A N PHE 79.A O no hydrogen 2.828 N/A ARG 84.A NH1 MET 82.A O no hydrogen 2.868 N/A LEU 85.A N ALA 80.A O no hydrogen 2.799 N/A LEU 89.A N PHE 13.A O no hydrogen 2.642 N/A GLU 90.A N GLN 114.A OE1 no hydrogen 3.192 N/A LEU 91.A N SER 11.A O no hydrogen 3.099 N/A GLN 92.A N ALA 112.A O no hydrogen 2.993 N/A VAL 93.A N GLN 9.A O no hydrogen 3.134 N/A SER 94.A N HIS 110.A O no hydrogen 2.661 N/A ALA 95.A N CYS 7.A O no hydrogen 2.997 N/A GLY 96.A N PHE 108.A O no hydrogen 2.902 N/A CYS 97.A N LEU 5.A O no hydrogen 3.214 N/A GLU 98.A N ASN 106.A O no hydrogen 3.033 N/A GLN 103.A N GLN 103.A OE1 no hydrogen 2.576 N/A ASN 106.A ND2 GLU 98.A OE2 no hydrogen 3.271 N/A PHE 108.A N GLY 96.A O no hydrogen 3.010 N/A HIS 110.A N SER 94.A O no hydrogen 2.707 N/A VAL 111.A N LEU 119.A O no hydrogen 3.037 N/A ALA 112.A N GLN 92.A O no hydrogen 2.748 N/A PHE 113.A N LYS 116.A O no hydrogen 2.809 N/A GLN 114.A N GLU 90.A O no hydrogen 2.843 N/A GLN 114.A NE2 PRO 88.A O no hydrogen 2.894 N/A LYS 116.A N PHE 113.A O no hydrogen 2.876 N/A ILE 118.A N VAL 111.A O no hydrogen 3.320 N/A SER 120.A N GLU 127.A O no hydrogen 2.847 N/A PHE 121.A N PHE 109.A O no hydrogen 3.005 N/A GLN 122.A N SER 125.A O no hydrogen 3.179 N/A GLN 122.A NE2 SER 120.A OG no hydrogen 2.529 N/A THR 124.A OG1 GLY 123.A O no hydrogen 2.579 N/A SER 125.A OG GLY 123.A O no hydrogen 3.253 N/A TRP 126.A N ASN 144.A OD1 no hydrogen 2.725 N/A GLU 127.A N SER 120.A O no hydrogen 2.832 N/A THR 129.A N ILE 118.A O no hydrogen 2.806 N/A THR 129.A OG1 ASP 117.A O no hydrogen 3.310 N/A ALA 132.A N THR 129.A O no hydrogen 2.992 N/A VAL 136.A N PRO 133.A O no hydrogen 3.151 N/A ASN 137.A N LEU 134.A O no hydrogen 2.929 N/A LEU 138.A N LEU 134.A O no hydrogen 3.343 N/A ALA 139.A N TRP 135.A O no hydrogen 3.003 N/A ILE 140.A N VAL 136.A O no hydrogen 2.900 N/A GLN 141.A N ASN 137.A O no hydrogen 3.161 N/A VAL 142.A N LEU 138.A O no hydrogen 3.187 N/A LEU 143.A N ALA 139.A O no hydrogen 2.842 N/A ASN 144.A N ILE 140.A O no hydrogen 2.825 N/A ASN 144.A ND2 TRP 126.A O no hydrogen 3.044 N/A GLN 145.A N VAL 142.A O no hydrogen 2.926 N/A ASP 146.A N LEU 143.A O no hydrogen 2.990 N/A THR 149.A N ASP 146.A OD1 no hydrogen 2.731 N/A THR 149.A OG1 ASP 146.A OD2 no hydrogen 2.494 N/A ARG 150.A N ASP 146.A O no hydrogen 3.167 N/A ARG 150.A NE ASN 144.A O no hydrogen 3.072 N/A ARG 150.A NH1 THR 124.A O no hydrogen 2.446 N/A ARG 150.A NH2 ASN 144.A O no hydrogen 2.749 N/A GLU 151.A N LYS 147.A O no hydrogen 3.072 N/A THR 152.A N TRP 148.A O no hydrogen 2.977 N/A THR 152.A OG1 TRP 148.A O no hydrogen 2.966 N/A VAL 153.A N THR 149.A O no hydrogen 2.754 N/A GLN 154.A N ARG 150.A O no hydrogen 2.726 N/A GLN 154.A NE2 GLN 158.A OE1 no hydrogen 3.388 N/A TRP 155.A N GLU 151.A O no hydrogen 2.875 N/A LEU 156.A N THR 152.A O no hydrogen 2.892 N/A LEU 157.A N VAL 153.A O no hydrogen 3.011 N/A GLN 158.A N GLN 154.A O no hydrogen 2.935 N/A GLY 159.A N TRP 155.A O no hydrogen 2.706 N/A THR 160.A N TRP 155.A O no hydrogen 3.260 N/A CYS 161.A N LEU 156.A O no hydrogen 2.764 N/A GLN 163.A N GLY 159.A O no hydrogen 3.224 N/A PHE 164.A N THR 160.A O no hydrogen 2.700 N/A VAL 165.A N CYS 161.A O no hydrogen 2.729 N/A SER 166.A N PRO 162.A O no hydrogen 2.967 N/A SER 166.A OG PRO 162.A O no hydrogen 2.880 N/A GLY 167.A N GLN 163.A O no hydrogen 3.379 N/A LEU 168.A N PHE 164.A O no hydrogen 3.057 N/A LEU 169.A N VAL 165.A O no hydrogen 2.749 N/A GLU 170.A N SER 166.A O no hydrogen 3.021 N/A SER 171.A N GLY 167.A O no hydrogen 2.980 N/A GLY 172.A N LEU 168.A O no hydrogen 2.702 N/A LYS 173.A N LEU 169.A O no hydrogen 2.796 N/A GLU 175.A N GLY 172.A O no hydrogen 2.789 N/A LEU 176.A N GLY 172.A O no hydrogen 2.978 N/A LYS 177.A N LYS 173.A O no hydrogen 2.805 N/A LYS 178.A N GLU 175.A O no hydrogen 3.452 N/A VAL 180.A N TYR 207.A O no hydrogen 2.850 N/A LYS 183.A N SER 204.A O no hydrogen 2.969 N/A TRP 185.A N HIS 202.A O no hydrogen 2.842 N/A SER 187.A N VAL 200.A O no hydrogen 3.117 N/A SER 187.A OG HIS 202.A NE2 no hydrogen 2.980 N/A GLY 189.A N LEU 198.A O no hydrogen 2.808 N/A ARG 196.A NH1 ASP 245.A OD1 no hydrogen 2.966 N/A LEU 197.A N VAL 246.A O no hydrogen 3.010 N/A LEU 199.A N LEU 244.A O no hydrogen 2.922 N/A VAL 200.A N SER 187.A O no hydrogen 3.090 N/A CYS 201.A N ALA 242.A O no hydrogen 2.772 N/A HIS 202.A N TRP 185.A O no hydrogen 2.736 N/A HIS 202.A ND1 TYR 239.A OH no hydrogen 2.873 N/A HIS 202.A NE2 SER 187.A OG no hydrogen 2.980 N/A VAL 203.A N LEU 240.A O no hydrogen 2.872 N/A SER 204.A N LYS 183.A O no hydrogen 2.933 N/A GLY 205.A N TRP 238.A O no hydrogen 2.790 N/A TYR 207.A N VAL 180.A O no hydrogen 3.164 N/A TYR 207.A OH LEU 176.A O no hydrogen 2.981 N/A LYS 209.A N GLU 29.A OE2 no hydrogen 3.189 N/A TRP 212.A N LYS 259.A O no hydrogen 2.987 N/A LYS 214.A N ARG 257.A O no hydrogen 3.257 N/A LYS 214.A NZ GLU 221.A OE1 no hydrogen 3.316 N/A TRP 215.A N THR 225.A OG1 no hydrogen 3.201 N/A TRP 215.A NE1 ALA 242.A O no hydrogen 3.069 N/A MET 216.A N SER 255.A O no hydrogen 2.568 N/A ARG 217.A N GLN 220.A O no hydrogen 2.956 N/A ARG 217.A NH2 ALA 252.A O no hydrogen 3.518 N/A GLN 220.A N ARG 217.A O no hydrogen 3.048 N/A GLN 222.A N TRP 215.A O no hydrogen 2.947 N/A GLN 222.A NE2 GLN 220.A O no hydrogen 3.028 N/A GLN 223.A N GLU 221.A O no hydrogen 3.274 N/A THR 225.A N GLN 222.A O no hydrogen 2.699 N/A THR 225.A OG1 TRP 215.A O no hydrogen 3.495 N/A THR 225.A OG1 GLN 222.A O no hydrogen 2.866 N/A GLN 226.A N THR 243.A O no hydrogen 2.830 N/A GLY 228.A N ARG 241.A O no hydrogen 2.676 N/A LEU 231.A N TYR 239.A O no hydrogen 2.743 N/A ASN 233.A N THR 237.A O no hydrogen 2.778 N/A ASN 233.A ND2 SER 204.A OG no hydrogen 3.396 N/A ASN 233.A ND2 THR 237.A OG1 no hydrogen 2.878 N/A GLU 236.A N ASN 233.A O no hydrogen 3.315 N/A THR 237.A N ASP 235.A OD1 no hydrogen 2.938 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 2.567 N/A TRP 238.A N PHE 206.A O no hydrogen 2.987 N/A TRP 238.A NE1 GLU 29.A OE1 no hydrogen 2.781 N/A TYR 239.A N LEU 231.A O no hydrogen 2.544 N/A TYR 239.A OH HIS 202.A ND1 no hydrogen 2.873 N/A LEU 240.A N VAL 203.A O no hydrogen 2.724 N/A ALA 242.A N CYS 201.A O no hydrogen 2.962 N/A THR 243.A N GLN 226.A O no hydrogen 2.889 N/A THR 243.A OG1 GLN 226.A O no hydrogen 3.446 N/A LEU 244.A N LEU 199.A O no hydrogen 2.846 N/A VAL 246.A N LEU 197.A O no hydrogen 3.163 N/A VAL 247.A N GLU 250.A OE1 no hydrogen 3.221 N/A GLU 250.A N VAL 247.A O no hydrogen 2.554 N/A ALA 251.A N ALA 248.A O no hydrogen 3.075 N/A LEU 254.A N ALA 251.A O no hydrogen 2.888 N/A SER 255.A N MET 216.A O no hydrogen 2.727 N/A CYS 256.A N LEU 270.A O no hydrogen 2.634 N/A ARG 257.A N LYS 214.A O no hydrogen 3.023 N/A ARG 257.A NE ASP 267.A OD2 no hydrogen 3.462 N/A VAL 258.A N ILE 268.A O no hydrogen 2.717 N/A LYS 259.A N TRP 212.A O no hydrogen 2.817 N/A LYS 259.A NZ ASP 267.A OD2 no hydrogen 2.712 N/A HIS 260.A ND1 SER 262.A OG no hydrogen 2.924 N/A HIS 260.A NE2 PRO 208.A O no hydrogen 2.971 N/A SER 261.A OG GLN 179.A OE1 no hydrogen 2.902 N/A SER 262.A N HIS 260.A ND1 no hydrogen 2.893 N/A SER 262.A OG HIS 260.A ND1 no hydrogen 2.924 N/A LEU 263.A N HIS 260.A O no hydrogen 2.901 N/A GLU 264.A N SER 261.A O no hydrogen 3.434 N/A GLN 266.A N LEU 263.A O no hydrogen 3.005 N/A ILE 268.A N VAL 258.A O no hydrogen 2.965 N/A LEU 270.A N CYS 256.A O no hydrogen 2.775 N/A TRP 272.A N LEU 254.A O no hydrogen 3.016 N/A