Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5cit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 ASN 55.A OD1 no hydrogen 2.638 N/A PHE 4.A N LYS 53.A O no hydrogen 2.926 N/A LYS 5.A N GLN 77.A OE1 no hydrogen 2.928 N/A LYS 5.A NZ TYR 72.A O no hydrogen 2.746 N/A LYS 5.A NZ ILE 74.A O no hydrogen 2.906 N/A LEU 6.A N ASN 55.A O no hydrogen 2.992 N/A VAL 7.A N CYS 78.A O no hydrogen 3.164 N/A LEU 8.A N TRP 57.A O no hydrogen 3.405 N/A LEU 8.A N TYR 72.A OH no hydrogen 3.023 N/A VAL 9.A N ILE 80.A O no hydrogen 2.955 N/A THR 14.A N ASP 11.A O no hydrogen 3.353 N/A THR 14.A OG1 ASP 11.A O no hydrogen 2.832 N/A LYS 16.A NZ GLY 10.A O no hydrogen 3.211 N/A LYS 16.A NZ ASP 11.A O no hydrogen 3.093 N/A LYS 16.A NZ GLU 63.A OE2 no hydrogen 2.845 N/A THR 17.A OG1 ASP 58.A OD1 no hydrogen 3.327 N/A THR 17.A OG1 ASP 58.A OD2 no hydrogen 2.722 N/A PHE 19.A N GLY 15.A O no hydrogen 2.776 N/A VAL 20.A N LYS 16.A O no hydrogen 3.014 N/A LYS 21.A N THR 17.A O no hydrogen 3.056 N/A ARG 22.A N PHE 19.A O no hydrogen 3.139 N/A ARG 22.A NE ASN 147.A OD1 no hydrogen 2.783 N/A ARG 22.A NH1 ASN 147.A OD1 no hydrogen 3.517 N/A ARG 22.A NH1 ALA 176.A O no hydrogen 3.002 N/A ARG 22.A NH1 PRO 177.A O no hydrogen 3.020 N/A ARG 22.A NH2 GLU 179.A OE1 no hydrogen 2.824 N/A HIS 23.A N VAL 20.A O no hydrogen 3.302 N/A HIS 23.A NE2 VAL 44.A O no hydrogen 3.068 N/A LEU 24.A N ALA 174.A O no hydrogen 3.182 N/A GLY 26.A N HIS 23.A ND1 no hydrogen 3.063 N/A GLU 27.A N HIS 23.A O no hydrogen 3.040 N/A GLU 27.A N LEU 24.A O no hydrogen 3.252 N/A PHE 28.A N LEU 24.A O no hydrogen 3.026 N/A GLU 29.A N THR 25.A O no hydrogen 2.814 N/A LYS 30.A N GLU 27.A O no hydrogen 3.281 N/A LYS 30.A NZ GLU 27.A OE1 no hydrogen 3.390 N/A LYS 30.A NZ GLU 27.A OE2 no hydrogen 2.904 N/A LYS 30.A NZ GLU 39.A OE1 no hydrogen 3.245 N/A LYS 31.A N VAL 40.A O no hydrogen 3.032 N/A LYS 31.A NZ VAL 40.A O no hydrogen 3.219 N/A VAL 33.A N VAL 38.A O no hydrogen 2.694 N/A LEU 36.A N VAL 33.A O no hydrogen 3.260 N/A GLU 39.A N ASP 58.A O no hydrogen 3.084 N/A VAL 40.A N LYS 31.A O no hydrogen 2.796 N/A HIS 41.A N VAL 56.A O no hydrogen 2.665 N/A HIS 41.A NE2 GLU 27.A OE1 no hydrogen 3.120 N/A LEU 43.A N PHE 54.A O no hydrogen 2.761 N/A PHE 45.A N ILE 52.A O no hydrogen 2.950 N/A THR 47.A N GLY 50.A O no hydrogen 3.049 N/A THR 47.A OG1 GLY 50.A O no hydrogen 2.595 N/A ASN 48.A N GLU 168.A O no hydrogen 2.914 N/A ASN 48.A ND2 GLU 168.A O no hydrogen 3.306 N/A ARG 49.A N THR 47.A OG1 no hydrogen 2.978 N/A GLY 50.A N THR 47.A O no hydrogen 3.134 N/A ILE 52.A N PHE 45.A O no hydrogen 2.846 N/A LYS 53.A N VAL 2.A O no hydrogen 2.882 N/A LYS 53.A NZ GLN 1.A OE1 no hydrogen 2.930 N/A PHE 54.A N LEU 43.A O no hydrogen 2.816 N/A ASN 55.A N PHE 4.A O no hydrogen 2.772 N/A VAL 56.A N HIS 41.A O no hydrogen 2.777 N/A TRP 57.A N LEU 6.A O no hydrogen 2.996 N/A ASP 58.A N GLU 39.A O no hydrogen 2.895 N/A THR 59.A OG1 GLU 63.A OE1 no hydrogen 2.470 N/A THR 59.A OG1 GLU 63.A OE2 no hydrogen 3.306 N/A ALA 60.A N GLY 37.A O no hydrogen 3.168 N/A GLY 61.A N THR 59.A OG1 no hydrogen 3.138 N/A GLN 62.A N GLN 62.A OE1 no hydrogen 2.415 N/A GLN 62.A NE2 GLY 37.A O no hydrogen 2.738 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 2.799 N/A LYS 64.A N GLY 61.A O no hydrogen 2.952 N/A PHE 65.A N GLN 62.A O no hydrogen 3.028 N/A TYR 72.A OH TRP 57.A O no hydrogen 2.752 N/A ALA 76.A N TYR 73.A O no hydrogen 3.138 N/A GLN 77.A N LYS 5.A O no hydrogen 2.815 N/A CYS 78.A SG LYS 5.A O no hydrogen 3.642 N/A ALA 79.A N PRO 109.A O no hydrogen 3.299 N/A ILE 80.A N VAL 7.A O no hydrogen 2.983 N/A ILE 81.A N VAL 111.A O no hydrogen 2.922 N/A MET 82.A N VAL 9.A O no hydrogen 2.733 N/A PHE 83.A N CYS 113.A O no hydrogen 2.913 N/A ASP 84.A N THR 90.A OG1 no hydrogen 2.906 N/A VAL 85.A N ASN 115.A O no hydrogen 2.952 N/A THR 86.A N ASP 84.A OD1 no hydrogen 2.749 N/A THR 86.A OG1 ASP 84.A OD1 no hydrogen 2.748 N/A THR 86.A OG1 ASP 84.A OD2 no hydrogen 3.342 N/A SER 87.A N ASP 84.A O no hydrogen 3.143 N/A THR 90.A N SER 87.A O no hydrogen 3.194 N/A THR 90.A OG1 SER 87.A O no hydrogen 2.676 N/A LYS 92.A N ARG 88.A O no hydrogen 2.834 N/A ASN 93.A N VAL 89.A O no hydrogen 2.938 N/A ASN 93.A ND2 ASP 11.A OD1 no hydrogen 2.749 N/A ASN 93.A ND2 ASP 11.A OD2 no hydrogen 3.458 N/A VAL 94.A N TYR 91.A O no hydrogen 3.130 N/A TRP 97.A N ASN 93.A O no hydrogen 3.168 N/A TRP 97.A NE1 ASP 11.A OD2 no hydrogen 2.916 N/A HIS 98.A N VAL 94.A O no hydrogen 2.850 N/A ARG 99.A N PRO 95.A O no hydrogen 2.867 N/A ASP 100.A N ASN 96.A O no hydrogen 3.040 N/A LEU 101.A N TRP 97.A O no hydrogen 2.984 N/A VAL 102.A N HIS 98.A O no hydrogen 2.798 N/A ARG 103.A N ARG 99.A O no hydrogen 2.845 N/A ARG 103.A NH2 ARG 103.A O no hydrogen 3.541 N/A VAL 104.A N LEU 101.A O no hydrogen 3.358 N/A CYS 105.A N LEU 101.A O no hydrogen 2.925 N/A CYS 105.A SG TYR 73.A O no hydrogen 3.388 N/A CYS 105.A SG LEU 101.A O no hydrogen 3.675 N/A GLU 106.A N VAL 102.A O no hydrogen 3.025 N/A VAL 111.A N ALA 79.A O no hydrogen 3.060 N/A LEU 112.A N GLN 138.A O no hydrogen 2.730 N/A CYS 113.A N ILE 81.A O no hydrogen 2.849 N/A GLY 114.A N TYR 140.A O no hydrogen 2.945 N/A ASN 115.A N PHE 83.A O no hydrogen 2.850 N/A ASN 115.A ND2 THR 14.A O no hydrogen 2.796 N/A LYS 116.A NZ GLY 13.A O no hydrogen 2.775 N/A LYS 116.A NZ ASP 84.A OD2 no hydrogen 2.996 N/A VAL 117.A N ILE 142.A O no hydrogen 3.204 N/A ILE 119.A N LYS 116.A O no hydrogen 3.106 N/A LYS 120.A NZ ASP 183.A OD2 no hydrogen 3.354 N/A ARG 122.A N LYS 120.A O no hydrogen 2.913 N/A ARG 122.A NE VAL 124.A O no hydrogen 2.843 N/A ARG 122.A NH1 VAL 124.A O no hydrogen 3.283 N/A ARG 122.A NH1 ASP 141.A OD2 no hydrogen 2.751 N/A ARG 122.A NH2 ASP 141.A OD1 no hydrogen 2.876 N/A LYS 123.A N VAL 85.A O no hydrogen 2.686 N/A LYS 123.A NZ ASP 121.A OD2 no hydrogen 3.168 N/A VAL 124.A N VAL 85.A O no hydrogen 2.782 N/A ILE 129.A N ALA 126.A O no hydrogen 2.993 N/A VAL 130.A N TYR 91.A OH no hydrogen 3.036 N/A PHE 131.A N TYR 91.A OH no hydrogen 3.324 N/A ARG 133.A N VAL 130.A O no hydrogen 2.963 N/A LYS 134.A N VAL 130.A O no hydrogen 3.290 N/A LYS 135.A N PHE 131.A O no hydrogen 3.056 N/A LEU 137.A N HIS 132.A O no hydrogen 2.748 N/A GLN 138.A N ILE 110.A O no hydrogen 3.521 N/A GLN 138.A NE2 TYR 140.A OH no hydrogen 2.924 N/A TYR 139.A N GLN 138.A OE1 no hydrogen 2.729 N/A TYR 139.A OH ASP 141.A OD2 no hydrogen 2.559 N/A TYR 140.A N LEU 112.A O no hydrogen 2.907 N/A ILE 142.A N GLY 114.A O no hydrogen 2.795 N/A SER 143.A N TYR 148.A O no hydrogen 3.188 N/A SER 143.A OG ASP 118.A OD1 no hydrogen 2.461 N/A SER 143.A OG SER 146.A OG no hydrogen 2.647 N/A ALA 144.A N ASN 115.A OD1 no hydrogen 2.922 N/A LYS 145.A NZ GLU 179.A OE2 no hydrogen 2.768 N/A SER 146.A N SER 143.A O no hydrogen 3.198 N/A SER 146.A OG SER 143.A O no hydrogen 3.429 N/A SER 146.A OG SER 143.A OG no hydrogen 2.647 N/A ASN 147.A N ALA 144.A O no hydrogen 3.225 N/A ASN 147.A ND2 ALA 176.A O no hydrogen 2.816 N/A TYR 148.A N SER 143.A O no hydrogen 3.125 N/A TYR 148.A OH GLU 191.A OE2 no hydrogen 2.667 N/A ASN 149.A ND2 ASP 141.A O no hydrogen 2.943 N/A PHE 150.A N ASN 147.A O no hydrogen 3.085 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.838 N/A LYS 152.A N ASN 149.A O no hydrogen 3.048 N/A LEU 155.A N GLU 151.A O no hydrogen 2.895 N/A TRP 156.A N LYS 152.A O no hydrogen 3.049 N/A LEU 157.A N PRO 153.A O no hydrogen 2.923 N/A ALA 158.A N PHE 154.A O no hydrogen 2.844 N/A ARG 159.A N LEU 155.A O no hydrogen 3.003 N/A ARG 159.A NE LEU 167.A O no hydrogen 2.735 N/A ARG 159.A NH1 LEU 167.A O no hydrogen 2.987 N/A ARG 159.A NH1 GLU 168.A OE1 no hydrogen 2.251 N/A LYS 160.A N TRP 156.A O no hydrogen 2.965 N/A LEU 161.A N LEU 157.A O no hydrogen 2.793 N/A ILE 162.A N ALA 158.A O no hydrogen 3.022 N/A GLY 163.A N ARG 159.A O no hydrogen 3.141 N/A ASP 164.A N ARG 159.A O no hydrogen 3.096 N/A ASN 166.A N ASP 164.A OD1 no hydrogen 2.904 N/A VAL 170.A N HIS 46.A O no hydrogen 2.670 N/A ALA 176.A N ARG 22.A O no hydrogen 2.791 N/A GLU 179.A N LYS 145.A O no hydrogen 2.748 N/A VAL 180.A N LYS 145.A O no hydrogen 3.494 N/A ALA 185.A N ASP 183.A OD1 no hydrogen 3.027 N/A ALA 187.A N ASP 183.A O no hydrogen 2.931 N/A ALA 188.A N PRO 184.A O no hydrogen 3.022 N/A GLN 189.A N ALA 185.A O no hydrogen 3.165 N/A GLN 189.A NE2 ASP 193.A OD1 no hydrogen 3.071 N/A TYR 190.A N LEU 186.A O no hydrogen 2.921 N/A GLU 191.A N ALA 187.A O no hydrogen 3.015 N/A HIS 192.A N ALA 188.A O no hydrogen 2.968 N/A ASP 193.A N GLN 189.A O no hydrogen 2.752 N/A LEU 194.A N TYR 190.A O no hydrogen 2.898 N/A GLU 195.A N GLU 191.A O no hydrogen 3.125 N/A VAL 196.A N HIS 192.A O no hydrogen 2.989 N/A ALA 197.A N ASP 193.A O no hydrogen 2.974 N/A GLN 198.A N LEU 194.A O no hydrogen 2.973 N/A THR 199.A N VAL 196.A O no hydrogen 2.931 N/A THR 199.A OG1 GLU 195.A O no hydrogen 3.167 N/A THR 199.A OG1 VAL 196.A O no hydrogen 3.264 N/A