Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N LEU 12.A O no hydrogen 3.204 N/A THR 6.A OG1 GLY 7.A O no hydrogen 3.142 N/A GLY 7.A N VAL 10.A O no hydrogen 2.868 N/A THR 9.A N GLU 98.A OE2 no hydrogen 2.781 N/A THR 9.A OG1 GLU 98.A OE1 no hydrogen 3.166 N/A VAL 10.A N GLU 98.A OE2 no hydrogen 2.847 N/A TYR 11.A N VAL 60.A O no hydrogen 2.847 N/A TYR 11.A OH GLU 65.A OE1 no hydrogen 2.536 N/A TYR 11.A OH GLU 65.A OE2 no hydrogen 3.316 N/A LEU 12.A N LEU 5.A O no hydrogen 2.757 N/A ARG 13.A N ALA 58.A O no hydrogen 3.303 N/A ARG 13.A NH1 ALA 14.A O no hydrogen 2.977 N/A ARG 13.A NH1 ASP 18.A OD2 no hydrogen 2.631 N/A ARG 13.A NH2 ASP 18.A OD1 no hydrogen 3.031 N/A ARG 13.A NH2 ASP 18.A OD2 no hydrogen 3.391 N/A LYS 19.A N VAL 15.A O no hydrogen 3.320 N/A HIS 20.A N GLU 16.A O no hydrogen 2.943 N/A HIS 21.A N.A ASP 17.A O no hydrogen 3.076 N/A HIS 21.A N.B ASP 17.A O no hydrogen 3.066 N/A HIS 21.A ND1.B ASP 17.A O no hydrogen 3.011 N/A ALA 22.A N ASP 18.A O no hydrogen 2.950 N/A ALA 23.A N HIS 20.A O no hydrogen 3.050 N/A TRP 25.A N ALA 22.A O no hydrogen 2.869 N/A PHE 26.A N ALA 22.A O no hydrogen 2.608 N/A ARG 29.A N ASP 27.A OD1 no hydrogen 3.072 N/A ARG 29.A NE ASP 27.A OD1 no hydrogen 2.933 N/A ARG 29.A NE ASP 27.A OD2 no hydrogen 3.276 N/A ARG 29.A NH2 ASP 27.A OD2 no hydrogen 2.873 N/A ALA 34.A N GLU 74.A OE1 no hydrogen 3.065 N/A ARG 36.A N GLU 119.A OE2 no hydrogen 2.753 N/A ARG 36.A NE GLU 119.A OE2 no hydrogen 2.883 N/A ARG 36.A NH1 GLU 119.A OE1 no hydrogen 2.898 N/A ALA 39.A N GLN 158.A OE1 no hydrogen 2.991 N/A LEU 45.A N LYS 42.A O no hydrogen 3.229 N/A GLN 46.A N GLU 43.A O no hydrogen 2.907 N/A GLY 47.A N LYS 44.A O no hydrogen 2.954 N/A ASP 51.A N ASP 48.A O no hydrogen 2.972 N/A ALA 52.A N PRO 49.A O no hydrogen 3.193 N/A ARG 53.A N PHE 75.A O no hydrogen 3.173 N/A ARG 53.A NH1 TRP 50.A O no hydrogen 3.097 N/A ARG 53.A NH1 ALA 52.A O no hydrogen 2.963 N/A HIS 55.A N ILE 73.A O no hydrogen 2.827 N/A LEU 57.A N CYS 71.A O no hydrogen 3.038 N/A ALA 58.A N ARG 13.A O no hydrogen 2.767 N/A ILE 59.A N GLY 69.A O no hydrogen 2.788 N/A VAL 60.A N TYR 11.A O no hydrogen 2.746 N/A ARG 61.A N ALA 66.A O no hydrogen 2.766 N/A ARG 61.A NE ASP 64.A OD1 no hydrogen 2.997 N/A ARG 61.A NH1 ASP 64.A OD2 no hydrogen 2.813 N/A ARG 62.A N THR 9.A O no hydrogen 2.889 N/A ARG 62.A NH1 GLY 7.A O no hydrogen 2.698 N/A GLU 65.A N ARG 61.A O no hydrogen 2.662 N/A ALA 66.A N ASP 64.A OD1 no hydrogen 3.221 N/A VAL 68.A N ILE 59.A O no hydrogen 2.846 N/A SER 70.A N.A HIS 85.A O no hydrogen 2.877 N/A SER 70.A N.B HIS 85.A O no hydrogen 2.874 N/A SER 70.A OG.B LEU 57.A O no hydrogen 2.959 N/A CYS 71.A N LEU 57.A O no hydrogen 2.775 N/A ARG 72.A N ARG 83.A O no hydrogen 2.869 N/A ILE 73.A N HIS 55.A O no hydrogen 2.940 N/A GLU 74.A N SER 81.A O no hydrogen 2.736 N/A PHE 75.A N ARG 53.A O no hydrogen 2.771 N/A GLY 76.A N THR 79.A O no hydrogen 2.980 N/A LYS 77.A N GLN 46.A O no hydrogen 2.973 N/A LYS 77.A NZ LYS 44.A O no hydrogen 3.090 N/A GLN 78.A N LEU 45.A O no hydrogen 2.943 N/A THR 79.A OG1 GLN 46.A OE1 no hydrogen 3.264 N/A ALA 80.A N VAL 115.A O no hydrogen 2.850 N/A SER 81.A N GLU 74.A O no hydrogen 2.954 N/A LEU 82.A N THR 117.A O no hydrogen 2.832 N/A ARG 83.A N ARG 72.A O no hydrogen 3.137 N/A ARG 83.A NE GLU 119.A OE1 no hydrogen 2.855 N/A ARG 83.A NH1 ASN 33.A O no hydrogen 3.216 N/A ARG 83.A NH1 ASN 33.A OD1 no hydrogen 3.520 N/A ARG 83.A NH1 GLU 119.A OE2 no hydrogen 2.894 N/A ARG 83.A NH2 ASN 33.A O no hydrogen 2.753 N/A HIS 85.A N SER 70.A O.A no hydrogen 3.002 N/A HIS 85.A N SER 70.A O.B no hydrogen 2.919 N/A LEU 89.A N ALA 86.A O no hydrogen 3.268 N/A ARG 96.A N ALA 92.A O no hydrogen 2.849 N/A ARG 96.A NE THR 127.A OG1 no hydrogen 2.981 N/A ARG 96.A NH2 ASP 93.A OD1 no hydrogen 3.033 N/A ALA 97.A N ASP 93.A O no hydrogen 2.900 N/A GLU 98.A N VAL 94.A O no hydrogen 3.148 N/A ALA 99.A N LEU 95.A O no hydrogen 2.990 N/A LEU 100.A N ARG 96.A O no hydrogen 2.950 N/A GLU 101.A N ALA 97.A O no hydrogen 2.989 N/A LEU 102.A N GLU 98.A O no hydrogen 3.023 N/A VAL 103.A N ALA 99.A O no hydrogen 2.981 N/A VAL 104.A N LEU 100.A O no hydrogen 3.191 N/A LEU 107.A N VAL 103.A O no hydrogen 2.958 N/A ARG 108.A N VAL 104.A O no hydrogen 2.932 N/A ARG 108.A NH1 ALA 134.A O no hydrogen 2.778 N/A ASP 109.A N PRO 105.A O no hydrogen 3.000 N/A GLU 110.A N TRP 106.A O no hydrogen 2.921 N/A LEU 114.A N GLN 78.A O no hydrogen 2.804 N/A VAL 115.A N GLN 78.A O no hydrogen 3.289 N/A ILE 116.A N ALA 159.A O no hydrogen 3.007 N/A THR 117.A N ALA 80.A O no hydrogen 2.848 N/A VAL 118.A N TYR 157.A O no hydrogen 2.843 N/A GLU 119.A N LEU 82.A O no hydrogen 3.170 N/A ILE 120.A N LEU 155.A O no hydrogen 2.890 N/A ALA 121.A N GLU 124.A OE2 no hydrogen 2.999 N/A ALA 122.A N ASP 153.A O no hydrogen 2.819 N/A GLU 124.A N ALA 121.A O no hydrogen 2.934 N/A ARG 126.A N ASP 93.A OD2 no hydrogen 2.917 N/A THR 127.A N ASP 93.A OD1 no hydrogen 3.262 N/A THR 127.A OG1 ASP 93.A O no hydrogen 3.521 N/A THR 127.A OG1 ASP 93.A OD1 no hydrogen 2.627 N/A LEU 128.A N GLU 124.A O no hydrogen 2.751 N/A ALA 129.A N GLN 125.A O no hydrogen 2.949 N/A ALA 130.A N ARG 126.A O no hydrogen 2.810 N/A ALA 131.A N THR 127.A O no hydrogen 2.993 N/A GLU 132.A N LEU 128.A O no hydrogen 3.002 N/A ALA 133.A N ALA 129.A O no hydrogen 2.999 N/A ALA 134.A N ALA 130.A O no hydrogen 2.947 N/A GLY 135.A N GLU 132.A O no hydrogen 2.945 N/A LEU 136.A N ALA 131.A O no hydrogen 2.976 N/A LYS 137.A N GLN 158.A O no hydrogen 2.870 N/A ALA 139.A N ILE 156.A O no hydrogen 2.753 N/A VAL 140.A N ILE 156.A O no hydrogen 3.267 N/A ARG 141.A NH1 ASP 153.A OD2 no hydrogen 2.943 N/A GLU 143.A N ASP 153.A OD1 no hydrogen 2.954 N/A ILE 145.A N VAL 152.A O no hydrogen 2.899 N/A ARG 147.A N HIS 150.A O no hydrogen 2.818 N/A ARG 147.A NE ASP 123.A OD2 no hydrogen 2.650 N/A ARG 147.A NH2 ASP 123.A OD1 no hydrogen 2.907 N/A ARG 147.A NH2 ASP 123.A OD2 no hydrogen 3.474 N/A ARG 147.A NH2 GLU 124.A OE1 no hydrogen 3.058 N/A HIS 150.A N ARG 147.A O no hydrogen 3.500 N/A HIS 150.A ND1 ALA 148.A O no hydrogen 2.759 N/A ARG 151.A NE GLU 143.A O no hydrogen 2.766 N/A ARG 151.A NH2 ALA 144.A O no hydrogen 3.097 N/A VAL 152.A N ILE 145.A O no hydrogen 2.859 N/A LEU 155.A N ILE 120.A O no hydrogen 2.838 N/A ILE 156.A N VAL 140.A O no hydrogen 2.968 N/A TYR 157.A N VAL 118.A O no hydrogen 2.876 N/A TYR 157.A OH GLU 132.A OE2 no hydrogen 2.789 N/A GLN 158.A N LYS 137.A O no hydrogen 2.877 N/A GLN 158.A NE2 THR 117.A OG1 no hydrogen 2.696 N/A ALA 159.A N ILE 116.A O no hydrogen 3.058 N/A ASP 161.A N LEU 114.A O no hydrogen 2.766 N/A LYS 163.A N ASP 161.A OD1 no hydrogen 2.757 N/A VAL 164.A N ASP 161.A O no hydrogen 3.080 N/A