Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ub3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 1.A O no hydrogen 2.987 N/A ALA 4.A N ASP 1.A OD2 no hydrogen 3.198 N/A HIS 5.A N LEU 2.A O no hydrogen 2.921 N/A HIS 5.A ND1 SER 199.A O no hydrogen 3.181 N/A ILE 6.A N ALA 3.A O no hydrogen 3.090 N/A ASP 7.A N LEU 201.A O no hydrogen 2.791 N/A HIS 8.A N GLY 34.A O no hydrogen 2.786 N/A THR 9.A N THR 203.A O no hydrogen 2.867 N/A THR 9.A OG1 ASP 7.A O no hydrogen 2.866 N/A THR 9.A OG1 THR 203.A O no hydrogen 3.549 N/A LEU 10.A N CYS 36.A O no hydrogen 2.951 N/A LYS 12.A NZ GLU 19.A OE2 no hydrogen 2.695 N/A ALA 15.A N LYS 12.A O no hydrogen 3.083 N/A THR 16.A N GLU 19.A OE1 no hydrogen 2.929 N/A THR 16.A OG1 GLU 19.A OE1 no hydrogen 3.460 N/A GLU 19.A N THR 16.A OG1 no hydrogen 3.175 N/A VAL 20.A N THR 16.A O no hydrogen 2.931 N/A ALA 21.A N LEU 17.A O no hydrogen 2.855 N/A LYS 22.A N GLU 18.A O no hydrogen 3.046 N/A LYS 22.A NZ GLU 26.A OE2 no hydrogen 2.746 N/A ALA 23.A N GLU 19.A O no hydrogen 2.913 N/A ALA 24.A N VAL 20.A O no hydrogen 2.933 N/A GLU 25.A N ALA 21.A O no hydrogen 2.988 N/A GLU 26.A N LYS 22.A O no hydrogen 2.864 N/A ALA 27.A N ALA 23.A O no hydrogen 2.960 N/A LEU 28.A N ALA 24.A O no hydrogen 2.997 N/A GLU 29.A N GLU 25.A O no hydrogen 2.788 N/A TYR 30.A N GLU 26.A O no hydrogen 2.900 N/A PHE 32.A N ALA 27.A O no hydrogen 3.115 N/A TYR 33.A N ALA 3.A O no hydrogen 2.966 N/A GLY 34.A N ILE 6.A O no hydrogen 2.993 N/A LEU 35.A N ARG 55.A O no hydrogen 2.858 N/A CYS 36.A N HIS 8.A O no hydrogen 2.769 N/A ILE 37.A N VAL 57.A O no hydrogen 3.065 N/A TYR 41.A N PRO 38.A O no hydrogen 2.959 N/A TYR 41.A OH ALA 15.A O no hydrogen 2.708 N/A VAL 42.A N PRO 39.A O no hydrogen 3.318 N/A VAL 45.A N TYR 41.A O no hydrogen 3.126 N/A ARG 46.A N VAL 42.A O no hydrogen 3.008 N/A ARG 46.A NE GLY 83.A O no hydrogen 2.992 N/A ARG 46.A NH1 PRO 50.A O no hydrogen 3.234 N/A ARG 46.A NH2 GLY 83.A O no hydrogen 2.864 N/A ARG 46.A NH2 ASP 85.A OD1 no hydrogen 2.858 N/A ALA 47.A N ALA 43.A O no hydrogen 2.978 N/A ARG 48.A N TRP 44.A O no hydrogen 2.879 N/A ARG 48.A NH1 ARG 48.A O no hydrogen 3.150 N/A TYR 49.A N VAL 45.A O no hydrogen 2.827 N/A ALA 52.A N TYR 49.A O no hydrogen 3.166 N/A ARG 55.A N TYR 33.A O no hydrogen 2.822 N/A LEU 56.A N ASP 85.A OD1 no hydrogen 2.839 N/A VAL 57.A N LEU 35.A O no hydrogen 2.749 N/A THR 58.A N GLU 86.A O no hydrogen 3.130 N/A THR 58.A OG1 ILE 37.A O no hydrogen 2.749 N/A VAL 59.A N THR 58.A OG1 no hydrogen 2.785 N/A VAL 60.A N ASP 88.A O no hydrogen 2.968 N/A GLY 61.A N GLU 75.A OE2 no hydrogen 2.990 N/A GLU 70.A N GLU 70.A OE2 no hydrogen 2.760 N/A VAL 71.A N GLU 68.A O no hydrogen 3.007 N/A LYS 72.A N GLU 68.A O no hydrogen 2.964 N/A LYS 72.A NZ GLY 65.A O no hydrogen 2.717 N/A LYS 72.A NZ VAL 90.A O no hydrogen 2.733 N/A LYS 72.A NZ GLU 107.A OE1 no hydrogen 2.784 N/A ALA 73.A N LYS 69.A O no hydrogen 3.002 N/A LEU 74.A N GLU 70.A O no hydrogen 3.168 N/A GLU 75.A N VAL 71.A O no hydrogen 2.805 N/A ALA 76.A N LYS 72.A O no hydrogen 2.982 N/A ALA 77.A N ALA 73.A O no hydrogen 2.983 N/A LEU 78.A N LEU 74.A O no hydrogen 2.894 N/A ALA 79.A N GLU 75.A O no hydrogen 3.043 N/A CYS 80.A N ALA 76.A O no hydrogen 2.946 N/A CYS 80.A SG ALA 76.A O no hydrogen 3.620 N/A CYS 80.A SG ALA 84.A O no hydrogen 3.700 N/A ALA 81.A N ALA 77.A O no hydrogen 2.886 N/A ARG 82.A N LEU 78.A O no hydrogen 2.929 N/A GLY 83.A N CYS 80.A O no hydrogen 3.069 N/A ALA 84.A N ALA 79.A O no hydrogen 2.906 N/A ASP 85.A N LEU 56.A O no hydrogen 2.742 N/A GLU 86.A N LEU 56.A O no hydrogen 3.125 N/A VAL 87.A N VAL 119.A O no hydrogen 2.965 N/A ASP 88.A N THR 58.A O no hydrogen 2.874 N/A MET 89.A N LYS 121.A O no hydrogen 2.812 N/A VAL 90.A N VAL 60.A O no hydrogen 3.022 N/A LEU 91.A N ILE 123.A O no hydrogen 3.238 N/A HIS 92.A N GLU 107.A OE2 no hydrogen 2.724 N/A ARG 95.A N HIS 92.A ND1 no hydrogen 2.824 N/A ARG 95.A NH2 ASP 100.A OD2 no hydrogen 3.192 N/A ALA 96.A N HIS 92.A O no hydrogen 3.005 N/A LYS 97.A N LEU 93.A O no hydrogen 2.873 N/A ALA 98.A N GLY 94.A O no hydrogen 3.055 N/A GLY 99.A N ALA 96.A O no hydrogen 2.859 N/A ASP 100.A N ARG 95.A O no hydrogen 2.880 N/A LEU 101.A N GLY 99.A O no hydrogen 2.965 N/A TYR 103.A N ASP 100.A OD1 no hydrogen 3.163 N/A LEU 104.A N ASP 100.A O no hydrogen 3.240 N/A GLU 105.A N LEU 101.A O no hydrogen 2.956 N/A ALA 106.A N ASP 102.A O no hydrogen 2.945 N/A GLU 107.A N TYR 103.A O no hydrogen 2.873 N/A VAL 108.A N LEU 104.A O no hydrogen 3.036 N/A ARG 109.A N GLU 105.A O no hydrogen 2.867 N/A ARG 109.A NH2 ARG 143.A O no hydrogen 2.820 N/A ALA 110.A N ALA 106.A O no hydrogen 2.943 N/A VAL 111.A N GLU 107.A O no hydrogen 3.153 N/A ARG 112.A N VAL 108.A O no hydrogen 2.769 N/A ARG 112.A NE ARG 112.A O no hydrogen 3.029 N/A ARG 112.A NH1 GLY 145.A O no hydrogen 3.114 N/A ARG 112.A NH1 ASP 147.A OD1 no hydrogen 3.552 N/A ARG 112.A NH1 ASP 147.A OD2 no hydrogen 2.836 N/A ARG 112.A NH2 VAL 115.A O no hydrogen 2.853 N/A ARG 112.A NH2 ALA 118.A O no hydrogen 2.801 N/A GLU 113.A N ARG 109.A O no hydrogen 2.843 N/A ALA 114.A N ALA 110.A O no hydrogen 3.082 N/A ALA 114.A N VAL 111.A O no hydrogen 2.994 N/A VAL 115.A N VAL 111.A O no hydrogen 3.065 N/A ALA 118.A N VAL 115.A O no hydrogen 3.181 N/A VAL 119.A N ASP 85.A O no hydrogen 3.156 N/A LEU 120.A N ASP 147.A OD2 no hydrogen 2.814 N/A LYS 121.A N VAL 87.A O no hydrogen 2.838 N/A LYS 121.A NZ ASP 7.A OD2 no hydrogen 2.979 N/A LYS 121.A NZ GLU 86.A OE1 no hydrogen 2.648 N/A LYS 121.A NZ ASP 88.A OD1 no hydrogen 2.910 N/A VAL 122.A N PHE 148.A O no hydrogen 2.955 N/A ILE 123.A N MET 89.A O no hydrogen 2.672 N/A LEU 124.A N LYS 150.A O no hydrogen 2.930 N/A THR 126.A N THR 151.A O no hydrogen 2.990 N/A THR 126.A OG1 THR 151.A O no hydrogen 3.543 N/A THR 126.A OG1 ASP 164.A OD2 no hydrogen 2.736 N/A TYR 128.A N GLU 125.A O no hydrogen 3.273 N/A PHE 129.A N THR 126.A O no hydrogen 3.001 N/A SER 130.A N GLU 133.A OE1 no hydrogen 2.840 N/A SER 130.A OG GLU 133.A OE1 no hydrogen 3.360 N/A GLU 133.A N SER 130.A OG no hydrogen 3.198 N/A ILE 134.A N SER 130.A O no hydrogen 2.818 N/A ALA 135.A N PRO 131.A O no hydrogen 2.976 N/A ARG 136.A N GLU 132.A O no hydrogen 3.351 N/A LEU 137.A N GLU 133.A O no hydrogen 2.940 N/A ALA 138.A N ILE 134.A O no hydrogen 2.829 N/A GLU 139.A N ALA 135.A O no hydrogen 2.975 N/A ALA 140.A N ARG 136.A O no hydrogen 2.947 N/A ALA 141.A N LEU 137.A O no hydrogen 2.942 N/A ILE 142.A N ALA 138.A O no hydrogen 2.929 N/A ARG 143.A N GLU 139.A O no hydrogen 3.152 N/A GLY 144.A N ALA 140.A O no hydrogen 2.928 N/A GLY 145.A N ILE 142.A O no hydrogen 3.003 N/A ALA 146.A N ALA 141.A O no hydrogen 3.063 N/A ASP 147.A N LEU 120.A O no hydrogen 2.771 N/A PHE 148.A N LEU 120.A O no hydrogen 3.073 N/A LEU 149.A N GLN 177.A O no hydrogen 2.824 N/A LYS 150.A N VAL 122.A O no hydrogen 2.805 N/A LYS 150.A NZ ASP 88.A OD2 no hydrogen 2.971 N/A THR 151.A N LYS 179.A O no hydrogen 3.088 N/A THR 151.A OG1 SER 152.A OG no hydrogen 2.954 N/A THR 151.A OG1 ALA 181.A O no hydrogen 3.198 N/A SER 152.A OG THR 151.A OG1 no hydrogen 2.954 N/A SER 152.A OG ALA 181.A O no hydrogen 3.137 N/A THR 153.A N GLU 125.A OE1 no hydrogen 3.094 N/A THR 153.A OG1 GLU 125.A OE2 no hydrogen 2.623 N/A PHE 155.A N THR 153.A OG1 no hydrogen 2.909 N/A ARG 158.A NH1 GLY 159.A O no hydrogen 2.903 N/A ARG 158.A NH1 ASP 164.A OD2 no hydrogen 2.794 N/A ARG 158.A NH2 ASP 164.A OD1 no hydrogen 3.019 N/A ARG 158.A NH2 ASP 164.A OD2 no hydrogen 3.312 N/A ALA 160.A N GLY 182.A O no hydrogen 3.138 N/A SER 161.A N ASP 164.A OD2 no hydrogen 3.259 N/A ASP 164.A N SER 161.A OG no hydrogen 2.859 N/A VAL 165.A N SER 161.A O no hydrogen 3.289 N/A ALA 166.A N LEU 162.A O no hydrogen 3.039 N/A LEU 167.A N GLU 163.A O no hydrogen 3.005 N/A LEU 168.A N ASP 164.A O no hydrogen 2.900 N/A VAL 169.A N VAL 165.A O no hydrogen 2.939 N/A ARG 170.A N ALA 166.A O no hydrogen 3.001 N/A VAL 171.A N LEU 167.A O no hydrogen 2.843 N/A ALA 172.A N LEU 168.A O no hydrogen 2.818 N/A GLN 173.A N VAL 169.A O no hydrogen 3.220 N/A GLN 173.A NE2 ARG 170.A O no hydrogen 2.772 N/A ARG 175.A N ALA 172.A O no hydrogen 2.932 N/A ARG 175.A NE ALA 172.A O no hydrogen 2.913 N/A ARG 175.A NH1 GLU 139.A OE1 no hydrogen 3.458 N/A ARG 175.A NH1 GLU 139.A OE2 no hydrogen 2.822 N/A ARG 175.A NH2 GLU 139.A OE1 no hydrogen 2.674 N/A ARG 175.A NH2 VAL 171.A O no hydrogen 2.852 N/A GLN 177.A N ASP 147.A O no hydrogen 2.900 N/A GLN 177.A NE2 SER 199.A OG no hydrogen 2.665 N/A LYS 179.A N LEU 149.A O no hydrogen 2.853 N/A LYS 179.A NZ ASP 7.A OD2 no hydrogen 2.745 N/A LYS 179.A NZ ASP 88.A OD2 no hydrogen 2.828 N/A ALA 180.A N ARG 200.A O no hydrogen 3.016 N/A ALA 181.A N THR 151.A OG1 no hydrogen 3.073 N/A GLY 182.A N GLY 202.A O no hydrogen 3.459 N/A ARG 185.A NH1 ILE 184.A O no hydrogen 3.289 N/A THR 189.A N ASP 186.A OD1 no hydrogen 2.636 N/A THR 189.A OG1 ASP 186.A OD1 no hydrogen 2.624 N/A THR 189.A OG1 ASP 186.A OD2 no hydrogen 3.347 N/A ALA 190.A N ASP 186.A O no hydrogen 3.070 N/A LEU 191.A N ARG 187.A O no hydrogen 2.925 N/A ARG 192.A N GLU 188.A O no hydrogen 3.075 N/A MET 193.A N THR 189.A O no hydrogen 3.002 N/A LEU 194.A N ALA 190.A O no hydrogen 3.109 N/A LYS 195.A N LEU 191.A O no hydrogen 2.932 N/A ALA 196.A N ARG 192.A O no hydrogen 2.965 N/A GLY 197.A N LEU 194.A O no hydrogen 3.062 N/A ALA 198.A N MET 193.A O no hydrogen 3.200 N/A SER 199.A N VAL 178.A O no hydrogen 2.942 N/A ARG 200.A NH1 ASP 7.A OD1 no hydrogen 2.780 N/A ARG 200.A NH1 ASP 7.A OD2 no hydrogen 3.132 N/A ARG 200.A NH1 GLU 86.A OE1 no hydrogen 2.920 N/A ARG 200.A NH2 GLU 86.A OE2 no hydrogen 3.357 N/A LEU 201.A N HIS 5.A O no hydrogen 2.722 N/A GLY 202.A N ALA 180.A O no hydrogen 2.800 N/A THR 203.A N ASP 7.A O no hydrogen 3.353 N/A THR 203.A OG1 ILE 184.A O no hydrogen 2.724 N/A SER 204.A OG THR 9.A O no hydrogen 3.332 N/A SER 205.A N THR 203.A OG1 no hydrogen 2.921 N/A LEU 209.A N SER 205.A O no hydrogen 3.138 N/A VAL 210.A N GLY 206.A O no hydrogen 3.324 N/A VAL 210.A N VAL 207.A O no hydrogen 3.317 N/A ALA 211.A N VAL 207.A O no hydrogen 2.722 N/A