Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3he6_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASN 22.A O no hydrogen 2.891 N/A GLN 4.A NE2 TYR 87.A O no hydrogen 3.546 N/A SER 5.A N SER 20.A O no hydrogen 2.987 N/A LYS 9.A N ARG 102.A O no hydrogen 2.954 N/A ALA 11.A N THR 104.A O no hydrogen 2.752 N/A THR 13.A N LEU 106.A O no hydrogen 3.079 N/A THR 13.A OG1 LEU 106.A O no hydrogen 3.079 N/A GLY 14.A N ALA 79.A O no hydrogen 2.701 N/A GLY 15.A N VAL 12.A O no hydrogen 3.083 N/A LYS 16.A NZ GLU 77.A OE1 no hydrogen 3.564 N/A VAL 17.A N LEU 76.A O no hydrogen 3.041 N/A LEU 19.A N LEU 74.A O no hydrogen 2.717 N/A SER 20.A N SER 5.A O no hydrogen 2.853 N/A ASN 22.A N THR 3.A O no hydrogen 2.969 N/A ASN 22.A ND2 ASN 71.A OD1 no hydrogen 2.745 N/A GLN 23.A N GLU 70.A O no hydrogen 3.070 N/A GLN 23.A NE2 HIS 27.A O no hydrogen 2.978 N/A HIS 27.A N GLN 23.A OE1 no hydrogen 3.286 N/A HIS 27.A ND1 SER 91.A OG no hydrogen 2.466 N/A ASN 29.A ND2 TYR 31.A OH no hydrogen 3.520 N/A ASN 29.A ND2 GLY 92.A O no hydrogen 3.628 N/A MET 30.A N SER 47.A O no hydrogen 3.095 N/A TYR 31.A N ALA 90.A O no hydrogen 2.851 N/A TRP 32.A N HIS 45.A O no hydrogen 2.892 N/A TRP 32.A NE1 PHE 72.A O no hydrogen 2.967 N/A TYR 33.A N PHE 88.A O no hydrogen 2.771 N/A TYR 33.A OH GLN 95.A OE1 no hydrogen 2.726 N/A ARG 34.A N ARG 42.A O no hydrogen 2.983 N/A ARG 34.A NE ASP 36.A OD2 no hydrogen 2.917 N/A ARG 34.A NH1 TYR 62.A OH no hydrogen 2.877 N/A ARG 34.A NH1 SER 82.A O no hydrogen 3.194 N/A ARG 34.A NH2 ASP 36.A OD1 no hydrogen 3.168 N/A ARG 34.A NH2 ASP 36.A OD2 no hydrogen 3.149 N/A ARG 34.A NH2 SER 82.A O no hydrogen 3.180 N/A GLN 35.A N VAL 86.A O no hydrogen 2.748 N/A HIS 39.A N ASP 36.A O no hydrogen 3.019 N/A ARG 42.A N ARG 34.A O no hydrogen 3.165 N/A ILE 44.A N TRP 32.A O no hydrogen 2.794 N/A HIS 45.A ND1 GLU 54.A O no hydrogen 2.868 N/A HIS 45.A NE2 TYR 62.A O no hydrogen 2.599 N/A TYR 46.A N GLU 54.A O no hydrogen 3.005 N/A SER 47.A N MET 30.A O no hydrogen 2.817 N/A SER 47.A OG SER 52.A O no hydrogen 3.058 N/A TYR 48.A N SER 52.A OG no hydrogen 3.053 N/A GLY 49.A N SER 47.A OG no hydrogen 3.304 N/A GLY 51.A N ARG 66.A O no hydrogen 2.710 N/A SER 52.A N GLY 49.A O no hydrogen 3.215 N/A SER 52.A OG GLY 49.A O no hydrogen 3.177 N/A GLY 56.A N ILE 44.A O no hydrogen 2.742 N/A ASP 57.A N LEU 43.A O no hydrogen 2.915 N/A ILE 58.A N LEU 43.A O no hydrogen 3.084 N/A TYR 62.A N PRO 59.A O no hydrogen 3.005 N/A TYR 62.A OH TYR 87.A OH no hydrogen 3.017 N/A LYS 63.A N ILE 75.A O no hydrogen 3.102 N/A LYS 63.A NZ GLU 77.A OE2 no hydrogen 3.229 N/A SER 65.A N SER 73.A O no hydrogen 3.050 N/A ARG 66.A NE SER 68.A O no hydrogen 2.893 N/A ARG 66.A NE GLN 69.A O no hydrogen 3.259 N/A ARG 66.A NH1 ASN 28.A O no hydrogen 2.772 N/A ARG 66.A NH1 SER 47.A OG no hydrogen 2.671 N/A ARG 66.A NH2 ASN 28.A O no hydrogen 2.759 N/A ARG 66.A NH2 GLN 69.A O no hydrogen 2.943 N/A GLN 69.A NE2 ASN 26.A OD1 no hydrogen 2.633 N/A GLN 69.A NE2 ASN 28.A OD1 no hydrogen 3.386 N/A ASN 71.A N SER 68.A O no hydrogen 3.316 N/A PHE 72.A N CYS 21.A O no hydrogen 3.286 N/A SER 73.A N SER 65.A O no hydrogen 3.089 N/A LEU 74.A N LEU 19.A O no hydrogen 2.885 N/A ILE 75.A N LYS 63.A O no hydrogen 2.752 N/A LEU 76.A N VAL 17.A O no hydrogen 2.702 N/A ALA 79.A N GLY 15.A O no hydrogen 2.970 N/A THR 80.A N GLN 83.A OE1 no hydrogen 3.288 N/A GLN 83.A N THR 80.A O no hydrogen 2.736 N/A GLN 83.A NE2 GLY 61.A O no hydrogen 3.496 N/A THR 84.A N PRO 81.A O no hydrogen 2.927 N/A THR 84.A OG1 PRO 81.A O no hydrogen 2.887 N/A SER 85.A N LEU 103.A O no hydrogen 3.086 N/A SER 85.A OG GLN 35.A O no hydrogen 3.005 N/A SER 85.A OG ASP 36.A OD1 no hydrogen 3.165 N/A SER 85.A OG ASP 36.A OD2 no hydrogen 3.327 N/A SER 85.A OG VAL 86.A O no hydrogen 3.427 N/A TYR 87.A N THR 101.A O no hydrogen 2.804 N/A TYR 87.A OH TYR 62.A OH no hydrogen 3.017 N/A TYR 87.A OH GLN 83.A O no hydrogen 2.510 N/A PHE 88.A N TYR 33.A O no hydrogen 3.033 N/A CYS 89.A N GLN 4.A OE1 no hydrogen 3.423 N/A ALA 90.A N TYR 31.A O no hydrogen 3.236 N/A SER 91.A N PHE 96.A O no hydrogen 2.924 N/A GLY 92.A N ASN 29.A O no hydrogen 3.008 N/A GLN 95.A NE2 ALA 94.A O no hydrogen 3.619 N/A PHE 96.A N SER 91.A O no hydrogen 2.725 N/A GLY 98.A N CYS 89.A O no hydrogen 2.874 N/A GLY 100.A N GLN 4.A OE1 no hydrogen 3.072 N/A THR 101.A N TYR 87.A O no hydrogen 2.862 N/A THR 101.A OG1 PRO 6.A O no hydrogen 2.755 N/A ARG 102.A N ARG 7.A O no hydrogen 2.873 N/A ARG 102.A NH1 ASP 145.A OD1 no hydrogen 2.733 N/A LEU 103.A N SER 85.A O no hydrogen 3.001 N/A THR 104.A N LYS 9.A O no hydrogen 3.069 N/A THR 104.A OG1 HIS 146.A NE2 no hydrogen 2.751 N/A VAL 105.A N THR 84.A OG1 no hydrogen 3.036 N/A LEU 106.A N ALA 11.A O no hydrogen 2.989 N/A LYS 110.A N ASP 108.A OD1 no hydrogen 2.947 N/A VAL 112.A N LEU 109.A O no hydrogen 3.332 N/A PHE 113.A N TYR 143.A O no hydrogen 2.862 N/A GLU 116.A N THR 140.A O no hydrogen 2.860 N/A ALA 118.A N LEU 138.A O no hydrogen 3.041 N/A PHE 120.A N VAL 136.A O no hydrogen 2.801 N/A GLU 126.A N SER 123.A OG no hydrogen 3.098 N/A ILE 127.A N SER 123.A O no hydrogen 3.268 N/A SER 128.A N GLU 124.A O no hydrogen 3.098 N/A SER 128.A OG GLU 124.A O no hydrogen 3.076 N/A HIS 129.A N ALA 125.A O no hydrogen 3.074 N/A THR 130.A N GLU 126.A O no hydrogen 2.924 N/A THR 130.A OG1 GLU 126.A O no hydrogen 2.432 N/A THR 130.A OG1 LYS 132.A O no hydrogen 3.244 N/A GLN 131.A N ILE 127.A O no hydrogen 2.931 N/A GLN 131.A NE2 SER 128.A O no hydrogen 3.013 N/A LYS 132.A N THR 130.A OG1 no hydrogen 3.314 N/A ALA 133.A N VAL 188.A O no hydrogen 2.700 N/A THR 134.A N GLU 126.A OE1 no hydrogen 3.357 N/A THR 134.A OG1 GLU 126.A OE1 no hydrogen 3.303 N/A THR 134.A OG1 GLU 126.A OE2 no hydrogen 2.483 N/A LEU 135.A N LEU 186.A O no hydrogen 2.775 N/A VAL 136.A N PHE 120.A O no hydrogen 3.098 N/A CYS 137.A N SER 184.A O no hydrogen 2.658 N/A CYS 137.A SG ALA 118.A O no hydrogen 3.952 N/A LEU 138.A N ALA 118.A O no hydrogen 2.885 N/A ALA 139.A N LEU 182.A O no hydrogen 3.012 N/A THR 140.A N GLU 116.A O no hydrogen 2.842 N/A THR 140.A OG1 GLU 116.A O no hydrogen 2.918 N/A PHE 142.A N TYR 180.A O no hydrogen 3.394 N/A TYR 143.A N PHE 113.A O no hydrogen 3.135 N/A HIS 146.A N PRO 144.A O no hydrogen 2.763 N/A HIS 146.A ND1 ASN 8.A OD1 no hydrogen 2.623 N/A HIS 146.A NE2 THR 104.A OG1 no hydrogen 2.751 N/A VAL 147.A N ASP 145.A O no hydrogen 3.091 N/A GLU 148.A N GLN 205.A O no hydrogen 3.012 N/A SER 150.A N GLN 203.A O no hydrogen 2.826 N/A SER 150.A OG GLN 203.A O no hydrogen 3.523 N/A TRP 151.A NE1 SER 184.A OG no hydrogen 2.719 N/A TRP 152.A N ARG 201.A O no hydrogen 2.873 N/A TRP 152.A NE1 SER 150.A OG no hydrogen 2.724 N/A VAL 153.A N LYS 156.A O no hydrogen 2.944 N/A ASN 154.A N HIS 199.A O no hydrogen 2.812 N/A ASN 154.A ND2 ASN 198.A OD1 no hydrogen 2.956 N/A LYS 156.A N VAL 153.A O no hydrogen 3.165 N/A VAL 158.A N TRP 151.A O no hydrogen 2.927 N/A CYS 163.A N ARG 185.A O no hydrogen 2.783 N/A THR 164.A OG1 SER 184.A OG no hydrogen 3.087 N/A ASP 165.A N SER 183.A O no hydrogen 3.437 N/A LEU 169.A N ALA 181.A O no hydrogen 2.913 N/A GLU 171.A N ARG 179.A O no hydrogen 2.841 N/A GLN 172.A N SER 178.A OG no hydrogen 2.878 N/A SER 178.A OG GLN 172.A O no hydrogen 3.041 N/A SER 178.A OG ARG 179.A O no hydrogen 3.018 N/A ARG 179.A NH1 GLY 141.A O no hydrogen 3.449 N/A TYR 180.A N PHE 142.A O no hydrogen 2.750 N/A ALA 181.A N LEU 169.A O no hydrogen 2.963 N/A LEU 182.A N ALA 139.A O no hydrogen 2.910 N/A SER 183.A N ASP 165.A OD2 no hydrogen 3.120 N/A SER 183.A OG ASP 165.A OD1 no hydrogen 2.835 N/A SER 183.A OG ASP 165.A OD2 no hydrogen 3.379 N/A SER 184.A N CYS 137.A O no hydrogen 3.034 N/A SER 184.A OG CYS 163.A O no hydrogen 2.459 N/A SER 184.A OG THR 164.A OG1 no hydrogen 3.087 N/A ARG 185.A N CYS 163.A O no hydrogen 2.748 N/A ARG 185.A NH1 ASP 165.A OD1 no hydrogen 2.392 N/A LEU 186.A N LEU 135.A O no hydrogen 2.983 N/A ARG 187.A N GLY 161.A O no hydrogen 3.057 N/A ARG 187.A NE GLU 126.A OE2 no hydrogen 3.309 N/A VAL 188.A N ALA 133.A O no hydrogen 2.952 N/A SER 189.A OG THR 191.A OG1 no hydrogen 3.369 N/A ALA 190.A N GLN 131.A O no hydrogen 2.774 N/A THR 191.A OG1 SER 189.A OG no hydrogen 3.369 N/A PHE 192.A N SER 189.A OG no hydrogen 3.057 N/A TRP 193.A N SER 189.A O no hydrogen 3.086 N/A GLN 194.A N ALA 190.A O no hydrogen 2.683 N/A ARG 197.A N ASN 195.A OD1 no hydrogen 3.004 N/A ASN 198.A ND2 PHE 192.A O no hydrogen 2.653 N/A HIS 199.A N ASN 154.A OD1 no hydrogen 3.130 N/A PHE 200.A N ALA 231.A O no hydrogen 2.757 N/A ARG 201.A N TRP 152.A O no hydrogen 2.842 N/A ARG 201.A NH2 GLN 203.A OE1 no hydrogen 3.009 N/A ARG 201.A NH2 SER 228.A OG no hydrogen 3.160 N/A CYS 202.A N ALA 229.A O no hydrogen 2.841 N/A GLN 203.A N SER 150.A O no hydrogen 3.038 N/A VAL 204.A N VAL 227.A O no hydrogen 2.965 N/A GLN 205.A N GLU 148.A O no hydrogen 2.712 N/A PHE 206.A N GLN 225.A O no hydrogen 2.836 N/A TYR 207.A N HIS 146.A O no hydrogen 3.230 N/A TYR 207.A OH GLU 148.A OE1 no hydrogen 2.659 N/A TYR 207.A OH GLU 148.A OE2 no hydrogen 3.334 N/A GLY 208.A N THR 224.A OG1 no hydrogen 2.721 N/A LEU 209.A N PRO 222.A O no hydrogen 3.224 N/A SER 210.A N ASP 213.A OD2 no hydrogen 3.177 N/A TRP 215.A NE1 ARG 219.A O no hydrogen 2.989 N/A THR 216.A OG1 GLN 217.A OE1 no hydrogen 3.136 N/A ARG 219.A NH1 VAL 112.A O no hydrogen 3.302 N/A ARG 219.A NH2 VAL 112.A O no hydrogen 2.490 N/A LYS 221.A NZ ASP 213.A O no hydrogen 2.703 N/A VAL 223.A N LYS 221.A O no hydrogen 2.833 N/A THR 224.A N LEU 209.A O no hydrogen 3.014 N/A GLN 225.A N PHE 206.A O no hydrogen 2.925 N/A VAL 227.A N VAL 204.A O no hydrogen 2.987 N/A SER 228.A OG CYS 202.A O no hydrogen 3.215 N/A ALA 229.A N CYS 202.A O no hydrogen 3.097 N/A ALA 231.A N PHE 200.A O no hydrogen 2.741 N/A GLY 233.A N ASN 198.A O no hydrogen 3.259 N/A ARG 234.A N TRP 193.A O no hydrogen 3.074 N/A ARG 234.A NH1 GLU 121.A OE1 no hydrogen 3.001 N/A ARG 234.A NH1 GLU 121.A OE2 no hydrogen 3.106 N/A ARG 234.A NH2 GLU 121.A OE1 no hydrogen 3.253 N/A