Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N ASN 1.A OD1 no hydrogen 2.937 N/A GLN 5.A N ASN 1.A O no hydrogen 3.015 N/A SER 6.A N ALA 2.A O no hydrogen 2.908 N/A GLN 7.A N TYR 3.A O no hydrogen 2.930 N/A SER 8.A N ARG 4.A O no hydrogen 2.795 N/A SER 8.A OG ARG 4.A O no hydrogen 3.100 N/A ARG 9.A N GLN 5.A O no hydrogen 2.830 N/A ARG 9.A NE GLU 124.A OE1.A no hydrogen 2.956 N/A ARG 9.A NE GLU 124.A OE1.B no hydrogen 2.646 N/A ARG 9.A NH1 GLU 124.A OE2.A no hydrogen 3.252 N/A ALA 10.A N SER 6.A O no hydrogen 2.902 N/A ALA 11.A N GLN 7.A O no hydrogen 3.095 N/A ARG 12.A N SER 8.A O no hydrogen 3.018 N/A ARG 12.A NE ASP 125.A OD1 no hydrogen 2.762 N/A ARG 12.A NH1 GLN 5.A OE1 no hydrogen 2.947 N/A ARG 12.A NH2 ASP 125.A OD1 no hydrogen 3.100 N/A LEU 13.A N ARG 9.A O no hydrogen 2.965 N/A ARG 14.A N ALA 10.A O no hydrogen 2.854 N/A LEU 15.A N ALA 11.A O no hydrogen 3.016 N/A LEU 16.A N ARG 12.A O no hydrogen 3.063 N/A VAL 17.A N LEU 13.A O no hydrogen 2.843 N/A ASP 18.A N ARG 14.A O no hydrogen 2.850 N/A THR 19.A N LEU 15.A O no hydrogen 2.994 N/A THR 19.A OG1 LEU 15.A O no hydrogen 2.635 N/A GLY 20.A N LEU 16.A O no hydrogen 2.826 N/A GLN 21.A N VAL 17.A O no hydrogen 2.938 N/A GLU 22.A N ASP 18.A O no hydrogen 3.156 N/A LEU 23.A N THR 19.A O no hydrogen 2.903 N/A GLN 25.A N GLU 22.A O no hydrogen 2.929 N/A LEU 26.A N LEU 23.A O no hydrogen 3.441 N/A ARG 31.A NE GLU 50.A OE2 no hydrogen 2.673 N/A ARG 31.A NH2 GLU 50.A OE1 no hydrogen 2.960 N/A ARG 31.A NH2 GLU 50.A OE2 no hydrogen 3.317 N/A LYS 32.A N GLU 29.A O no hydrogen 3.167 N/A LYS 32.A NZ GLU 29.A OE2 no hydrogen 3.371 N/A CYS 33.A N ALA 30.A O no hydrogen 2.989 N/A LEU 35.A N ARG 31.A O no hydrogen 3.004 N/A GLN 36.A N LYS 32.A O no hydrogen 2.989 N/A ARG 37.A N CYS 33.A O no hydrogen 2.966 N/A ARG 37.A NH1 THR 19.A OG1 no hydrogen 3.024 N/A ARG 37.A NH1 GLU 22.A OE1 no hydrogen 2.902 N/A ARG 37.A NH2 GLU 22.A OE1 no hydrogen 2.931 N/A ALA 38.A N VAL 34.A O no hydrogen 2.891 N/A CYS 39.A N LEU 35.A O no hydrogen 2.904 N/A CYS 39.A SG LEU 35.A O no hydrogen 3.405 N/A CYS 39.A SG HIS 45.A O no hydrogen 3.432 N/A ALA 40.A N GLN 36.A O no hydrogen 3.019 N/A PHE 41.A N ARG 37.A O no hydrogen 2.902 N/A ALA 43.A N ALA 40.A O no hydrogen 3.162 N/A ASP 44.A N ALA 113.A O no hydrogen 3.445 N/A HIS 45.A N ALA 113.A O no hydrogen 2.958 N/A HIS 45.A ND1 ASP 44.A OD1 no hydrogen 2.867 N/A HIS 45.A NE2 SER 63.A OG no hydrogen 2.839 N/A GLY 46.A N HIS 61.A O no hydrogen 2.886 N/A LEU 47.A N VAL 111.A O no hydrogen 2.792 N/A LEU 48.A N ALA 59.A O no hydrogen 3.030 N/A LEU 49.A N THR 109.A O no hydrogen 2.972 N/A GLU 50.A N GLN 56.A O.A no hydrogen 2.860 N/A GLU 50.A N GLN 56.A O.B no hydrogen 2.867 N/A TRP 51.A N PHE 107.A O no hydrogen 2.890 N/A TRP 51.A NE1 SER 106.A O no hydrogen 2.879 N/A GLN 56.A N.A GLU 50.A O no hydrogen 2.782 N/A GLN 56.A N.B GLU 50.A O no hydrogen 2.751 N/A GLN 56.A NE2.A ASN 53.A O no hydrogen 3.049 N/A THR 58.A N LEU 48.A O no hydrogen 2.810 N/A THR 58.A OG1 LEU 48.A O no hydrogen 3.526 N/A THR 58.A OG1 GLU 50.A OE2 no hydrogen 2.622 N/A HIS 61.A N GLY 46.A O no hydrogen 2.807 N/A SER 63.A OG HIS 45.A NE2 no hydrogen 2.839 N/A ARG 66.A NH1 HIS 90.A O no hydrogen 2.804 N/A LEU 67.A N SER 63.A O no hydrogen 2.997 N/A SER 68.A N LYS 64.A O no hydrogen 2.951 N/A SER 68.A N GLU 65.A O no hydrogen 3.302 N/A SER 68.A OG GLU 65.A O no hydrogen 2.664 N/A THR 69.A N ARG 66.A O no hydrogen 3.043 N/A THR 69.A OG1 ARG 66.A O no hydrogen 2.581 N/A LEU 70.A N LEU 67.A O no hydrogen 3.104 N/A ALA 78.A N ASP 75.A O no hydrogen 3.426 N/A GLN 82.A N LEU 96.A O no hydrogen 3.138 N/A LEU 84.A N VAL 94.A O no hydrogen 2.740 N/A ARG 86.A N PRO 92.A O no hydrogen 2.803 N/A ARG 86.A NH2 LEU 91.A O no hydrogen 2.956 N/A THR 89.A N ARG 86.A O no hydrogen 3.338 N/A THR 89.A OG1 ARG 86.A O no hydrogen 2.670 N/A CYS 93.A SG ILE 118.A O no hydrogen 3.503 N/A VAL 94.A N LEU 84.A O no hydrogen 2.989 N/A LEU 95.A N LEU 112.A O no hydrogen 2.780 N/A LEU 96.A N GLN 82.A O no hydrogen 2.883 N/A LEU 97.A N LEU 110.A O no hydrogen 2.842 N/A LEU 99.A N GLY 108.A O no hydrogen 2.832 N/A ARG 100.A NH2 PRO 76.A O no hydrogen 3.277 N/A ARG 100.A NH2 ALA 78.A O no hydrogen 2.892 N/A ALA 102.A N GLU 141.A OE1 no hydrogen 2.736 N/A ASP 103.A N GLU 141.A OE2 no hydrogen 2.999 N/A GLU 104.A N.A ASP 103.A OD1 no hydrogen 2.867 N/A GLU 104.A N.B ASP 103.A OD1 no hydrogen 2.814 N/A GLY 105.A N GLU 104.A OE2.A no hydrogen 3.041 N/A SER 106.A N PRO 76.A O no hydrogen 2.849 N/A SER 106.A OG LEU 99.A O no hydrogen 2.855 N/A PHE 107.A N LEU 99.A O no hydrogen 3.038 N/A THR 109.A N LEU 49.A O no hydrogen 2.953 N/A LEU 110.A N LEU 97.A O no hydrogen 2.799 N/A VAL 111.A N LEU 47.A O no hydrogen 2.798 N/A LEU 112.A N LEU 95.A O no hydrogen 2.871 N/A ALA 113.A N HIS 45.A O no hydrogen 2.851 N/A ASN 114.A N CYS 93.A O no hydrogen 2.908 N/A ASN 114.A ND2 VAL 116.A O no hydrogen 2.836 N/A SER 115.A N ASP 44.A OD1 no hydrogen 2.856 N/A SER 115.A OG ASP 44.A OD2 no hydrogen 2.606 N/A ILE 126.A N ASP 122.A O no hydrogen 3.039 N/A GLU 127.A N GLY 123.A O no hydrogen 2.838 N/A SER 128.A N GLU 124.A O.A no hydrogen 3.102 N/A SER 128.A N GLU 124.A O.B no hydrogen 2.964 N/A SER 128.A OG GLU 124.A O.A no hydrogen 2.743 N/A SER 128.A OG GLU 124.A O.B no hydrogen 2.907 N/A LEU 129.A N ASP 125.A O no hydrogen 2.938 N/A GLN 130.A N ILE 126.A O no hydrogen 2.852 N/A LEU 131.A N GLU 127.A O no hydrogen 3.024 N/A LEU 132.A N SER 128.A O no hydrogen 2.863 N/A ALA 133.A N LEU 129.A O no hydrogen 2.963 N/A THR 134.A N GLN 130.A O no hydrogen 3.014 N/A THR 134.A OG1 GLN 130.A O no hydrogen 3.261 N/A LEU 135.A N LEU 131.A O no hydrogen 2.839 N/A LEU 136.A N LEU 132.A O no hydrogen 2.909 N/A ALA 137.A N ALA 133.A O no hydrogen 2.834 N/A ALA 138.A N THR 134.A O no hydrogen 3.099 N/A HIS 139.A N LEU 135.A O no hydrogen 3.347 N/A LEU 140.A N LEU 136.A O no hydrogen 2.864 N/A GLU 141.A N ALA 137.A O no hydrogen 2.844 N/A ASN 142.A N ALA 138.A O no hydrogen 2.984 N/A ASN 143.A N HIS 139.A O no hydrogen 3.113 N/A ARG 144.A N LEU 140.A O no hydrogen 2.972 N/A LEU 145.A N GLU 141.A O no hydrogen 2.887 N/A LEU 146.A N ASN 142.A O no hydrogen 2.965 N/A GLU 147.A N ASN 143.A O no hydrogen 2.950 N/A ALA 148.A N ARG 144.A O no hydrogen 2.810 N/A LEU 149.A N LEU 145.A O no hydrogen 2.952 N/A VAL 150.A N LEU 146.A O no hydrogen 2.982 N/A ALA 151.A N GLU 147.A O no hydrogen 2.935 N/A ASP 153.A N VAL 150.A O no hydrogen 3.242 N/A