Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jbu_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N GLU 129.A OE2 no hydrogen 2.736 N/A CYS 3.A N GLU 129.A OE1 no hydrogen 2.913 N/A GLY 6.A N CYS 3.A O no hydrogen 2.856 N/A GLU 7.A N PRO 4.A O no hydrogen 2.897 N/A CYS 8.A SG SER 123.A OG no hydrogen 3.129 N/A GLN 11.A N.A CYS 8.A O no hydrogen 3.052 N/A GLN 11.A N.B CYS 8.A O no hydrogen 3.032 N/A GLN 11.A NE2.A GLY 124.A O no hydrogen 2.751 N/A GLN 11.A NE2.B VAL 12.A O no hydrogen 3.298 N/A VAL 12.A N GLY 24.A O no hydrogen 2.934 N/A LEU 13.A N VAL 51.A O no hydrogen 2.981 N/A LEU 14.A N CYS 22.A O no hydrogen 2.790 N/A LEU 15.A N ILE 49.A O no hydrogen 2.785 N/A VAL 16.A N ALA 19.A O no hydrogen 2.913 N/A ASN 17.A N ASN 47.A OD1 no hydrogen 2.932 N/A ASN 17.A ND2 ASN 44D.A O no hydrogen 2.953 N/A ALA 19.A N VAL 16.A O no hydrogen 2.886 N/A LEU 21.A N LEU 14.A O no hydrogen 2.850 N/A CYS 22.A N LEU 14.A O no hydrogen 3.457 N/A CYS 22.A SG LEU 21.A O no hydrogen 3.030 N/A GLY 23.A N SER 177.A O no hydrogen 2.721 N/A GLY 24.A N VAL 12.A O no hydrogen 2.925 N/A THR 25.A N VAL 33.A O no hydrogen 2.798 N/A LEU 26.A N TRP 10.A O no hydrogen 2.899 N/A ILE 27.A N TRP 31.A O no hydrogen 2.970 N/A ILE 30.A N ASN 28.A OD1 no hydrogen 3.040 N/A TRP 31.A N ASN 28.A OD1 no hydrogen 2.894 N/A VAL 32.A N LEU 87.A O no hydrogen 2.958 N/A VAL 33.A N THR 25.A O no hydrogen 2.746 N/A SER 34.A N ALA 85.A O no hydrogen 2.878 N/A SER 34.A OG GLY 23.A O no hydrogen 2.801 N/A ALA 35.A N SER 34.A OG no hydrogen 2.736 N/A HIS 37.A N ASP 83.A OD2 no hydrogen 2.872 N/A HIS 37.A ND1 ASP 83.A OD1 no hydrogen 2.681 N/A CYS 38.A N ALA 35.A O no hydrogen 3.222 N/A PHE 39.A N ALA 36.A O no hydrogen 2.904 N/A ASP 40.A N HIS 37.A O no hydrogen 3.203 N/A ARG 46.A N ASN 17.A OD1 no hydrogen 2.841 N/A ILE 49.A N LEU 15.A O no hydrogen 2.825 N/A ALA 50.A N ARG 64.A O no hydrogen 2.789 N/A VAL 51.A N LEU 13.A O no hydrogen 2.770 N/A LEU 52.A N GLN 62.A O no hydrogen 2.826 N/A GLU 54.A N ASP 60.A O no hydrogen 2.882 N/A HIS 55.A ND1 GLY 53.A O no hydrogen 2.863 N/A GLN 62.A N LEU 52.A O no hydrogen 3.019 N/A GLN 62.A NE2 VAL 94.A O no hydrogen 2.831 N/A ARG 64.A N ALA 50.A O no hydrogen 2.834 N/A ARG 64.A NE PRO 92.A O no hydrogen 2.914 N/A ARG 64.A NH1 SER 63.A O no hydrogen 2.954 N/A ARG 64.A NH2 PRO 92.A O no hydrogen 2.988 N/A VAL 66.A N LEU 48.A O no hydrogen 2.824 N/A ALA 67.A N ARG 88.A O no hydrogen 2.775 N/A GLN 68.A N ARG 88.A O no hydrogen 3.302 N/A GLN 68.A NE2 ARG 229.A O no hydrogen 2.845 N/A GLN 68.A NE2 GLY 231.A O no hydrogen 2.837 N/A VAL 69.A N VAL 232.A O no hydrogen 2.725 N/A ILE 70.A N LEU 86.A O no hydrogen 2.844 N/A ILE 71.A N LEU 234.A O no hydrogen 2.949 N/A SER 73.A N ALA 236.A O no hydrogen 2.772 N/A TYR 75.A N PRO 72.A O no hydrogen 3.098 N/A TYR 75.A OH ASP 40.A OD1 no hydrogen 2.759 N/A TYR 75.A OH ASP 40.A OD2 no hydrogen 3.083 N/A THR 79.A N VAL 76.A O no hydrogen 3.030 N/A ASN 81.A N THR 79.A O no hydrogen 3.026 N/A ASN 81.A ND2 PRO 154I.A O no hydrogen 3.208 N/A HIS 82.A N ASN 81.A OD1 no hydrogen 2.956 N/A ILE 84.A N HIS 82.A O no hydrogen 2.966 N/A ALA 85.A N SER 34.A O no hydrogen 2.886 N/A LEU 86.A N ILE 70.A O no hydrogen 2.901 N/A LEU 87.A N VAL 32.A O no hydrogen 2.785 N/A ARG 88.A N GLN 68.A O no hydrogen 2.836 N/A LEU 89.A N ILE 30.A O no hydrogen 2.863 N/A HIS 90.A N.A ARG 65.A O no hydrogen 3.130 N/A HIS 90.A N.B ARG 65.A O no hydrogen 3.126 N/A VAL 93.A N THR 29.A O no hydrogen 2.944 N/A VAL 94.A N GLN 62.A OE1 no hydrogen 2.858 N/A THR 96.A N VAL 99.A O no hydrogen 3.012 N/A THR 96.A OG1 ASP 60.A OD1 no hydrogen 3.024 N/A THR 96.A OG1 ASP 60.A OD2 no hydrogen 2.856 N/A HIS 98.A N THR 96.A OG1 no hydrogen 3.126 N/A HIS 98.A ND1 ASP 60.A OD1 no hydrogen 2.987 N/A VAL 99.A N THR 96.A O no hydrogen 3.141 N/A VAL 100.A N PRO 9.A O no hydrogen 3.134 N/A LEU 102.A N LEU 26.A O no hydrogen 2.902 N/A CYS 103.A SG TRP 189.A O no hydrogen 3.731 N/A ARG 107.A NE GLU 111A.A OE2 no hydrogen 3.001 N/A ARG 107.A NH1 GLU 218.A OE2 no hydrogen 3.001 N/A SER 110.A N GLU 106.A O no hydrogen 2.994 N/A SER 120.A N VAL 132.A O no hydrogen 2.882 N/A SER 120.A OG THR 183.A OG1 no hydrogen 2.754 N/A LEU 121.A N ALA 182.A O no hydrogen 2.833 N/A VAL 122.A N LEU 130.A O no hydrogen 2.767 N/A SER 123.A N PRO 180.A O no hydrogen 3.265 N/A GLY 124.A N LEU 128.A O no hydrogen 2.888 N/A LEU 128.A N GLY 124.A O no hydrogen 2.804 N/A LEU 130.A N VAL 122.A O no hydrogen 2.885 N/A VAL 132.A N SER 120.A O no hydrogen 2.774 N/A ASN 134.A N ARG 118.A O no hydrogen 2.996 N/A ASN 134.A ND2 SER 120.A OG no hydrogen 2.975 N/A ASN 134.A ND2 VAL 117G.A O no hydrogen 3.140 N/A VAL 135.A N CYS 162.A O no hydrogen 2.858 N/A MET 139.A N PRO 136.A O no hydrogen 2.928 N/A THR 140.A N ARG 137.A O no hydrogen 3.133 N/A THR 140.A OG1 PRO 136.A O no hydrogen 3.335 N/A THR 140.A OG1 ARG 137.A O no hydrogen 3.104 N/A CYS 143.A N MET 139.A O no hydrogen 3.007 N/A CYS 143.A SG MET 139.A O no hydrogen 3.830 N/A CYS 143.A SG THR 140.A O no hydrogen 3.109 N/A LEU 144.A N THR 140.A O no hydrogen 3.065 N/A GLN 145.A N ASP 142.A O no hydrogen 3.307 N/A GLN 145.A NE2 ASP 142.A OD1 no hydrogen 3.429 N/A GLU 158.A N ASN 155.A O no hydrogen 2.900 N/A TYR 159.A N ASN 155.A O no hydrogen 3.256 N/A MET 160.A N ILE 156.A O no hydrogen 3.088 N/A PHE 161.A N TYR 210.A O no hydrogen 2.864 N/A ALA 163.A N GLY 208.A O no hydrogen 2.981 N/A SER 166.A N HIS 206.A O no hydrogen 2.712 N/A LYS 170.A N GLY 200.A O no hydrogen 2.791 N/A LYS 170.A NZ SER 169A.A O no hydrogen 3.037 N/A SER 172.A N LYS 170.A O no hydrogen 2.751 N/A CYS 173.A SG GLY 200.A O no hydrogen 2.775 N/A ASP 176.A N SER 172.A O no hydrogen 3.111 N/A SER 177.A N CYS 173.A O no hydrogen 2.819 N/A SER 177.A OG HIS 37.A NE2 no hydrogen 2.707 N/A GLY 178.A N VAL 195.A O no hydrogen 2.901 N/A GLY 179.A N ASP 176.A O no hydrogen 2.866 N/A HIS 181.A N GLY 193.A O no hydrogen 3.035 N/A HIS 181.A ND1 THR 192.A OG1 no hydrogen 2.728 N/A HIS 181.A NE2 ASN 134.A OD1 no hydrogen 2.805 N/A ALA 182.A N LEU 121.A O no hydrogen 2.848 N/A THR 183.A N TYR 190.A O no hydrogen 2.818 N/A THR 183.A OG1 SER 120.A OG no hydrogen 2.754 N/A THR 183.A OG1 THR 192.A OG1 no hydrogen 2.675 N/A TYR 185.A N THR 188.A O no hydrogen 2.907 N/A THR 188.A N TYR 185.A O no hydrogen 3.244 N/A TYR 190.A N THR 183.A O no hydrogen 2.870 N/A LEU 191.A N CYS 103.A O no hydrogen 2.834 N/A THR 192.A N HIS 181.A O no hydrogen 2.970 N/A THR 192.A OG1 HIS 181.A ND1 no hydrogen 2.728 N/A THR 192.A OG1 HIS 181.A O no hydrogen 3.036 N/A THR 192.A OG1 THR 183.A OG1 no hydrogen 2.675 N/A GLY 193.A N HIS 181.A O no hydrogen 3.020 N/A ILE 194.A N THR 211.A O no hydrogen 3.310 N/A VAL 195.A N GLY 179.A O no hydrogen 2.956 N/A SER 196.A N VAL 209.A O no hydrogen 2.887 N/A SER 196.A OG ASP 83.A OD1 no hydrogen 2.687 N/A TRP 197.A N VAL 209.A O no hydrogen 2.986 N/A GLY 200.A N SER 166.A OG no hydrogen 2.848 N/A CYS 201.A N GLY 198.A O no hydrogen 3.329 N/A CYS 201.A SG ASP 176.A OD1 no hydrogen 3.471 N/A HIS 206.A N SER 166.A O no hydrogen 2.759 N/A HIS 206.A ND1 PHE 207.A O no hydrogen 2.782 N/A HIS 206.A NE2 CYS 201.A O no hydrogen 2.766 N/A GLY 208.A N ALA 163.A O no hydrogen 3.156 N/A VAL 209.A N TRP 197.A O no hydrogen 2.915 N/A TYR 210.A N PHE 161.A O no hydrogen 2.812 N/A THR 211.A N ILE 194.A O no hydrogen 2.948 N/A THR 211.A OG1 ASP 83.A O no hydrogen 2.660 N/A ARG 212.A N TYR 159.A O no hydrogen 2.852 N/A VAL 213.A N THR 192.A O no hydrogen 3.233 N/A GLN 215.A N ARG 212.A O no hydrogen 3.246 N/A GLN 215.A NE2 GLU 158.A O no hydrogen 3.123 N/A TYR 216.A N VAL 213.A O no hydrogen 2.808 N/A TYR 216.A OH HIS 82.A ND1 no hydrogen 2.766 N/A TRP 219.A NE1 PRO 237.A O no hydrogen 2.915 N/A LEU 220.A N TYR 216.A O no hydrogen 2.847 N/A GLN 221.A N.A ILE 217.A O no hydrogen 3.026 N/A GLN 221.A N.B ILE 217.A O no hydrogen 3.010 N/A LYS 222.A N GLU 218.A O no hydrogen 2.891 N/A LYS 222.A NZ PRO 237.A O no hydrogen 2.985 N/A LEU 223.A N TRP 219.A O no hydrogen 2.992 N/A MET 224.A N LEU 220.A O no hydrogen 2.934 N/A ARG 225.A N GLN 221.A O.A no hydrogen 3.163 N/A ARG 225.A N GLN 221.A O.B no hydrogen 3.197 N/A ARG 225.A N LYS 222.A O no hydrogen 3.272 N/A SER 226.A N LEU 223.A O no hydrogen 3.167 N/A SER 226.A OG LEU 223.A O no hydrogen 2.727 N/A LEU 234.A N VAL 69.A O no hydrogen 2.894 N/A ARG 235.A NH2 SER 73.A O no hydrogen 2.933 N/A ALA 236.A N ILE 71.A O no hydrogen 2.873 N/A PHE 238.A N SER 73.A OG no hydrogen 3.023 N/A GLU 111A.A N ARG 107.A O no hydrogen 2.875 N/A GLY 164A.A N LEU 133.A O no hydrogen 2.896 N/A ARG 112B.A N THR 108.A O no hydrogen 2.826 N/A SER 147B.A N LEU 144.A O no hydrogen 3.004 N/A LYS 43C.A NZ ASN 44D.A OD1 no hydrogen 3.002 N/A THR 113C.A N PHE 109.A O no hydrogen 2.805 N/A ARG 148C.A N.A LEU 144.A O no hydrogen 2.962 N/A ARG 148C.A N.A GLN 145.A O no hydrogen 2.946 N/A ARG 148C.A N.B LEU 144.A O no hydrogen 2.994 N/A ARG 148C.A N.B GLN 145.A O no hydrogen 2.914 N/A ARG 148C.A NH1.B GLN 141.A O no hydrogen 2.647 N/A ARG 148C.A NH2.B GLN 141.A O no hydrogen 2.613 N/A LEU 114D.A N PHE 109.A O no hydrogen 3.291 N/A LYS 149D.A N ASP 152G.A OD1 no hydrogen 3.145 N/A LYS 149D.A NZ THR 79.A OG1 no hydrogen 3.292 N/A ALA 115E.A N SER 110.A O no hydrogen 2.814 N/A PHE 116F.A N THR 113C.A O no hydrogen 3.165 N/A VAL 117G.A N LEU 114D.A O no hydrogen 3.091 N/A