Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2shk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N GLU 3.A OE1 no hydrogen 2.797 N/A ILE 5.A N ARG 73.A O no hydrogen 3.001 N/A PHE 6.A N THR 96.A O no hydrogen 2.960 N/A MET 7.A N VAL 75.A O no hydrogen 3.014 N/A VAL 8.A N VAL 98.A O no hydrogen 2.706 N/A ARG 11.A NH2 GLU 116.A OE2 no hydrogen 3.542 N/A CYS 13.A N ALA 10.A O no hydrogen 2.935 N/A CYS 13.A SG ALA 10.A O no hydrogen 3.280 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.042 N/A LYS 15.A NZ THR 77.A O no hydrogen 2.942 N/A THR 16.A OG1 ASP 32.A OD2 no hydrogen 2.660 N/A VAL 18.A N GLY 14.A O no hydrogen 2.859 N/A GLY 19.A N LYS 15.A O no hydrogen 2.769 N/A ARG 20.A N THR 16.A O no hydrogen 2.621 N/A GLU 21.A N THR 17.A O no hydrogen 2.974 N/A LEU 22.A N VAL 18.A O no hydrogen 2.692 N/A ALA 23.A N GLY 19.A O no hydrogen 3.176 N/A ARG 24.A N ARG 20.A O no hydrogen 3.190 N/A ARG 24.A NH2.B GLU 21.A OE1.A no hydrogen 1.821 N/A ALA 25.A N GLU 21.A O no hydrogen 3.305 N/A LEU 26.A N LEU 22.A O no hydrogen 3.120 N/A GLY 27.A N ARG 24.A O no hydrogen 3.175 N/A TYR 28.A N ALA 23.A O no hydrogen 2.626 N/A GLU 29.A N ASN 72.A O no hydrogen 2.824 N/A VAL 31.A N VAL 74.A O no hydrogen 3.098 N/A THR 33.A N ALA 76.A O no hydrogen 3.038 N/A THR 33.A OG1 ALA 76.A O no hydrogen 3.413 N/A ASP 34.A N ASP 32.A OD1 no hydrogen 2.716 N/A ILE 35.A N ASP 32.A OD1 no hydrogen 3.164 N/A PHE 36.A N ASP 32.A O no hydrogen 2.906 N/A MET 37.A N THR 33.A O no hydrogen 3.178 N/A GLN 38.A N ASP 34.A O no hydrogen 2.990 N/A HIS 39.A N ILE 35.A O no hydrogen 2.938 N/A THR 40.A N MET 37.A O no hydrogen 3.405 N/A THR 40.A OG1 PHE 36.A O no hydrogen 2.575 N/A THR 40.A OG1 MET 37.A O no hydrogen 3.405 N/A SER 41.A N MET 37.A O no hydrogen 2.869 N/A SER 41.A OG MET 37.A O no hydrogen 2.687 N/A GLY 42.A N GLN 38.A O no hydrogen 2.731 N/A MET 43.A N SER 41.A OG no hydrogen 2.955 N/A THR 44.A N ASP 47.A OD2 no hydrogen 3.013 N/A ASP 47.A N THR 44.A OG1 no hydrogen 3.096 N/A VAL 48.A N THR 44.A O no hydrogen 2.873 N/A VAL 49.A N VAL 45.A O no hydrogen 2.664 N/A ALA 50.A N ALA 46.A O no hydrogen 2.988 N/A ALA 51.A N ASP 47.A O no hydrogen 3.132 N/A GLU 52.A N VAL 48.A O no hydrogen 2.780 N/A GLY 53.A N VAL 49.A O no hydrogen 2.558 N/A GLY 56.A N GLU 52.A O no hydrogen 3.231 N/A GLY 56.A N GLY 53.A O no hydrogen 2.667 N/A PHE 57.A N GLY 53.A O no hydrogen 3.091 N/A ARG 58.A N TRP 54.A O no hydrogen 2.745 N/A ARG 58.A NH1 GLU 61.A OE1 no hydrogen 2.762 N/A ARG 59.A N PRO 55.A O no hydrogen 3.234 N/A ARG 60.A N GLY 56.A O no hydrogen 3.054 N/A ARG 60.A NE GLU 52.A OE1 no hydrogen 3.049 N/A ARG 60.A NH2 GLU 52.A OE2 no hydrogen 2.993 N/A GLU 61.A N PHE 57.A O no hydrogen 2.946 N/A SER 62.A N ARG 58.A O no hydrogen 3.011 N/A SER 62.A OG ARG 58.A O no hydrogen 3.287 N/A SER 62.A OG ASN 87.A OD1 no hydrogen 2.645 N/A GLU 63.A N ARG 59.A O no hydrogen 2.990 N/A ALA 64.A N ARG 60.A O no hydrogen 2.955 N/A LEU 65.A N GLU 61.A O no hydrogen 2.884 N/A GLN 66.A N SER 62.A O no hydrogen 3.238 N/A ALA 67.A N GLU 63.A O no hydrogen 2.867 N/A VAL 68.A N ALA 64.A O no hydrogen 2.964 N/A ALA 69.A N LEU 65.A O no hydrogen 3.044 N/A THR 70.A OG1 PRO 71.A O no hydrogen 3.419 N/A ASN 72.A N THR 2.A O no hydrogen 2.874 N/A ARG 73.A NE GLU 29.A OE1 no hydrogen 2.824 N/A ARG 73.A NH1 VAL 68.A O no hydrogen 2.771 N/A ARG 73.A NH2 GLU 29.A OE1 no hydrogen 2.746 N/A VAL 74.A N GLU 29.A O no hydrogen 2.797 N/A VAL 75.A N ILE 5.A O no hydrogen 2.842 N/A ALA 76.A N VAL 31.A O no hydrogen 2.836 N/A THR 77.A N MET 7.A O no hydrogen 3.198 N/A THR 77.A OG1 MET 7.A O no hydrogen 2.707 N/A MET 81.A N GLY 78.A O no hydrogen 3.089 N/A LEU 83.A N GLY 80.A O no hydrogen 3.148 N/A ASN 87.A N LEU 84.A O no hydrogen 2.803 N/A ASN 87.A ND2 MET 81.A O no hydrogen 2.848 N/A ARG 88.A N LEU 84.A O no hydrogen 3.163 N/A ARG 88.A NH1 VAL 82.A O no hydrogen 2.868 N/A ARG 88.A NH1 LEU 83.A O no hydrogen 3.189 N/A GLN 89.A N GLU 85.A O no hydrogen 2.875 N/A PHE 90.A N GLN 86.A O no hydrogen 2.997 N/A MET 91.A N ASN 87.A O no hydrogen 3.108 N/A ARG 92.A N ARG 88.A O no hydrogen 3.261 N/A ARG 92.A NH1 VAL 131.A O no hydrogen 2.958 N/A ARG 92.A NH1 ALA 132.A O no hydrogen 2.899 N/A ALA 93.A N GLN 89.A O no hydrogen 2.883 N/A HIS 94.A N PHE 90.A O no hydrogen 2.850 N/A GLY 95.A N MET 91.A O no hydrogen 2.865 N/A THR 96.A N PRO 4.A O no hydrogen 3.113 N/A THR 96.A OG1 GLU 3.A OE2 no hydrogen 2.617 N/A VAL 97.A N HIS 133.A ND1 no hydrogen 3.053 N/A VAL 98.A N PHE 6.A O no hydrogen 2.775 N/A TYR 99.A N TYR 134.A O no hydrogen 3.046 N/A TYR 99.A OH GLU 125.A OE1 no hydrogen 2.311 N/A LEU 100.A N VAL 8.A O no hydrogen 2.865 N/A PHE 101.A N VAL 136.A O no hydrogen 3.095 N/A LEU 107.A N PRO 103.A O no hydrogen 2.937 N/A ALA 108.A N ALA 104.A O no hydrogen 2.904 N/A LEU 109.A N GLU 105.A O no hydrogen 3.006 N/A ARG 110.A NE GLU 106.A OE2.B no hydrogen 2.909 N/A ARG 110.A NH1 GLY 12.A O no hydrogen 3.110 N/A MET 117.A N ILE 113.A O no hydrogen 2.942 N/A VAL 120.A N GLU 116.A O no hydrogen 2.925 N/A LEU 121.A N MET 117.A O no hydrogen 2.943 N/A ARG 122.A N ALA 119.A O no hydrogen 3.315 N/A GLU 123.A N ALA 119.A O no hydrogen 3.200 N/A ARG 124.A N VAL 120.A O no hydrogen 2.773 N/A ARG 124.A NE GLU 123.A OE1 no hydrogen 3.075 N/A ARG 124.A NH2 GLU 123.A OE1 no hydrogen 3.455 N/A GLU 125.A N LEU 121.A O no hydrogen 3.247 N/A LEU 127.A N ARG 124.A O no hydrogen 2.533 N/A TYR 128.A N ARG 124.A O no hydrogen 2.965 N/A TYR 128.A OH GLY 79.A O no hydrogen 2.560 N/A GLN 129.A N GLU 125.A O no hydrogen 3.060 N/A GLN 129.A NE2 GLU 125.A OE2 no hydrogen 3.260 N/A ASP 130.A N ALA 126.A O no hydrogen 3.123 N/A VAL 131.A N LEU 127.A O no hydrogen 3.136 N/A ALA 132.A N TYR 128.A O no hydrogen 3.037 N/A HIS 133.A N VAL 97.A O no hydrogen 3.075 N/A TYR 134.A N VAL 97.A O no hydrogen 3.285 N/A VAL 136.A N TYR 99.A O no hydrogen 3.033 N/A ALA 138.A N PHE 101.A O no hydrogen 2.859 N/A THR 139.A N ASP 137.A OD1 no hydrogen 2.924 N/A THR 139.A OG1 ASP 137.A OD1 no hydrogen 2.638 N/A THR 139.A OG1 ASP 137.A OD2 no hydrogen 3.469 N/A GLN 140.A N ASP 137.A O no hydrogen 3.496 N/A GLN 140.A NE2 ASP 137.A O no hydrogen 2.793 N/A GLN 140.A NE2 GLU 148.A OE1 no hydrogen 2.897 N/A ILE 145.A N PRO 141.A O no hydrogen 3.195 N/A VAL 146.A N PRO 142.A O no hydrogen 2.988 N/A CYS 147.A N ALA 143.A O no hydrogen 3.099 N/A CYS 147.A SG ALA 143.A O no hydrogen 3.147 N/A GLU 148.A N ALA 144.A O no hydrogen 2.906 N/A LEU 149.A N ILE 145.A O no hydrogen 2.779 N/A MET 150.A N VAL 146.A O no hydrogen 2.834 N/A GLN 151.A N CYS 147.A O no hydrogen 3.188 N/A THR 152.A N GLU 148.A O no hydrogen 2.746 N/A THR 152.A OG1 GLU 148.A O no hydrogen 3.291 N/A MET 153.A N LEU 149.A O no hydrogen 2.875 N/A ARG 154.A N GLN 151.A O no hydrogen 3.209 N/A LEU 155.A N MET 150.A O no hydrogen 3.040 N/A ALA 158.A N ALA 25.A O no hydrogen 2.999 N/A