Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1dkw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG LYS 2.A O no hydrogen 3.314 N/A LYS 2.A NZ GLN 216.A O no hydrogen 2.888 N/A LYS 2.A NZ VAL 219.A O no hydrogen 2.967 N/A GLN 4.A NE2 ASP 34.A OD1 no hydrogen 2.855 N/A ILE 6.A N ASN 220.A O no hydrogen 3.170 N/A ALA 7.A N GLN 36.A O no hydrogen 2.842 N/A ALA 8.A N PHE 222.A O no hydrogen 2.743 N/A ALA 9.A N VAL 38.A O no hydrogen 2.728 N/A ASN 10.A N VAL 224.A O no hydrogen 2.536 N/A TRP 11.A N ALA 40.A O no hydrogen 3.033 N/A SER 15.A OG LYS 12.A O no hydrogen 2.587 N/A LEU 22.A N SER 18.A O no hydrogen 3.084 N/A LEU 22.A N LEU 19.A O no hydrogen 3.267 N/A ILE 23.A N LEU 19.A O no hydrogen 3.042 N/A ASP 24.A N SER 20.A O no hydrogen 3.032 N/A LEU 25.A N GLU 21.A O no hydrogen 3.276 N/A PHE 26.A N LEU 22.A O no hydrogen 3.061 N/A ASN 27.A N ILE 23.A O no hydrogen 2.875 N/A ASN 27.A ND2 ARG 52.A O no hydrogen 2.747 N/A SER 28.A N ASP 24.A O no hydrogen 3.252 N/A SER 28.A N LEU 25.A O no hydrogen 3.257 N/A SER 28.A OG ASP 24.A O no hydrogen 3.471 N/A SER 28.A OG LEU 25.A O no hydrogen 3.288 N/A THR 29.A N PHE 26.A O no hydrogen 2.923 N/A THR 29.A OG1 LEU 25.A O no hydrogen 2.823 N/A HIS 33.A NE2 THR 237.A OG1 no hydrogen 2.893 N/A GLN 36.A N PRO 5.A O no hydrogen 3.103 N/A CYS 37.A N LYS 57.A O no hydrogen 2.953 N/A VAL 38.A N ALA 7.A O no hydrogen 2.757 N/A VAL 39.A N VAL 59.A O no hydrogen 2.848 N/A ALA 40.A N ALA 9.A O no hydrogen 2.720 N/A SER 41.A N ALA 61.A O no hydrogen 3.027 N/A SER 41.A OG THR 42.A O no hydrogen 2.823 N/A HIS 45.A N THR 42.A O no hydrogen 3.092 N/A LEU 46.A N THR 42.A O no hydrogen 3.058 N/A MET 48.A N HIS 45.A O no hydrogen 3.122 N/A THR 49.A N HIS 45.A O no hydrogen 3.155 N/A THR 49.A OG1 LEU 46.A O no hydrogen 2.528 N/A LYS 50.A N LEU 46.A O no hydrogen 3.080 N/A LYS 50.A NZ PHE 77.A O no hydrogen 2.494 N/A GLU 51.A N ALA 47.A O no hydrogen 3.403 N/A ARG 52.A N MET 48.A O no hydrogen 2.923 N/A ARG 52.A NH2 SER 20.A O no hydrogen 3.338 N/A ARG 52.A NH2 ASP 24.A OD2 no hydrogen 3.136 N/A LEU 53.A N THR 49.A O no hydrogen 2.817 N/A SER 54.A N ASN 27.A OD1 no hydrogen 3.009 N/A HIS 55.A NE2 THR 29.A O no hydrogen 2.604 N/A LYS 57.A N HIS 55.A ND1 no hydrogen 3.134 N/A LYS 57.A NZ ILE 31.A O no hydrogen 2.651 N/A LYS 57.A NZ HIS 33.A O no hydrogen 2.513 N/A PHE 58.A N HIS 55.A O no hydrogen 3.116 N/A VAL 59.A N CYS 37.A O no hydrogen 2.769 N/A ALA 61.A N VAL 39.A O no hydrogen 2.923 N/A ALA 62.A N TRP 81.A O no hydrogen 3.028 N/A GLN 63.A NE2 ASN 10.A OD1 no hydrogen 2.715 N/A GLN 63.A NE2 TRP 11.A O no hydrogen 3.303 N/A ASN 64.A N VAL 83.A O no hydrogen 3.133 N/A ASP 69.A N ASN 67.A OD1 no hydrogen 2.986 N/A LEU 71.A N ASN 67.A O no hydrogen 2.932 N/A PRO 72.A N GLU 68.A O no hydrogen 3.119 N/A SER 73.A N ASP 69.A O no hydrogen 2.966 N/A LEU 74.A N SER 70.A O no hydrogen 2.853 N/A LYS 75.A N LEU 71.A O no hydrogen 3.139 N/A LYS 75.A NZ PRO 72.A O no hydrogen 3.204 N/A LYS 75.A NZ ASP 76.A OD1 no hydrogen 2.479 N/A ASP 76.A N PRO 72.A O no hydrogen 2.984 N/A PHE 77.A N SER 73.A O no hydrogen 3.052 N/A GLY 78.A N LYS 75.A O no hydrogen 2.879 N/A VAL 79.A N LEU 74.A O no hydrogen 2.925 N/A ILE 82.A N MET 113.A O no hydrogen 3.176 N/A VAL 83.A N ALA 62.A O no hydrogen 3.047 N/A LEU 84.A N ILE 115.A O no hydrogen 2.776 N/A HIS 86.A ND1 GLU 88.A OE1 no hydrogen 2.986 N/A SER 87.A N GLU 158.A OE1 no hydrogen 3.383 N/A SER 87.A N GLU 158.A OE2 no hydrogen 3.035 N/A SER 87.A OG GLU 158.A OE1 no hydrogen 2.664 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.901 N/A ARG 89.A N HIS 86.A O no hydrogen 2.993 N/A ARG 89.A NH1 GLU 95.A OE2 no hydrogen 2.790 N/A ARG 90.A N SER 87.A O no hydrogen 2.905 N/A TRP 91.A N SER 87.A O no hydrogen 3.050 N/A TYR 92.A N GLU 88.A O no hydrogen 2.670 N/A TYR 93.A N GLU 88.A O no hydrogen 3.311 N/A GLU 95.A N ARG 89.A O no hydrogen 2.592 N/A ILE 99.A N THR 96.A OG1 no hydrogen 3.256 N/A VAL 100.A N THR 96.A O no hydrogen 3.006 N/A ALA 101.A N ASN 97.A O no hydrogen 2.763 N/A ASP 102.A N GLU 98.A O no hydrogen 2.928 N/A LYS 103.A N ILE 99.A O no hydrogen 2.942 N/A LYS 103.A NZ ASN 64.A O no hydrogen 3.151 N/A LYS 103.A NZ GLU 95.A OE1 no hydrogen 2.587 N/A LYS 103.A NZ GLU 95.A OE2 no hydrogen 2.671 N/A VAL 104.A N VAL 100.A O no hydrogen 3.022 N/A ALA 105.A N ALA 101.A O no hydrogen 3.107 N/A ALA 106.A N ASP 102.A O no hydrogen 3.051 N/A ALA 107.A N LYS 103.A O no hydrogen 2.764 N/A VAL 108.A N VAL 104.A O no hydrogen 2.740 N/A ALA 109.A N ALA 105.A O no hydrogen 2.651 N/A SER 110.A N ALA 106.A O no hydrogen 3.241 N/A SER 110.A N ALA 107.A O no hydrogen 3.088 N/A SER 110.A OG ALA 106.A O no hydrogen 2.790 N/A GLY 111.A N VAL 108.A O no hydrogen 2.992 N/A PHE 112.A N ALA 107.A O no hydrogen 3.311 N/A MET 113.A N ASN 80.A O no hydrogen 2.680 N/A VAL 114.A N LYS 152.A O no hydrogen 2.836 N/A ILE 115.A N ILE 82.A O no hydrogen 2.851 N/A ALA 116.A N VAL 154.A O no hydrogen 3.017 N/A CYS 117.A N LEU 84.A O no hydrogen 2.714 N/A CYS 117.A SG LEU 84.A O no hydrogen 3.480 N/A ILE 118.A N ALA 156.A O no hydrogen 3.001 N/A THR 121.A N GLU 124.A OE1 no hydrogen 2.693 N/A THR 121.A OG1 GLN 123.A OE1 no hydrogen 2.601 N/A GLU 124.A N THR 121.A OG1 no hydrogen 3.037 N/A ARG 125.A N THR 121.A O no hydrogen 2.791 N/A ARG 125.A NH1 GLU 120.A OE2 no hydrogen 2.429 N/A GLU 126.A N LEU 122.A O no hydrogen 2.728 N/A SER 127.A N GLN 123.A O no hydrogen 3.149 N/A SER 127.A OG GLN 123.A O no hydrogen 2.489 N/A SER 127.A OG GLU 124.A O no hydrogen 3.198 N/A GLY 128.A N ARG 125.A O no hydrogen 2.999 N/A ARG 129.A N GLU 124.A O no hydrogen 2.792 N/A THR 130.A OG1 GLU 120.A OE1 no hydrogen 2.422 N/A THR 130.A OG1 GLU 120.A OE2 no hydrogen 3.231 N/A VAL 133.A N ARG 129.A O no hydrogen 2.975 N/A VAL 134.A N THR 130.A O no hydrogen 2.765 N/A LEU 135.A N ALA 131.A O no hydrogen 2.669 N/A THR 136.A N VAL 132.A O no hydrogen 2.888 N/A THR 136.A OG1 VAL 132.A O no hydrogen 2.377 N/A GLN 137.A N VAL 133.A O no hydrogen 2.964 N/A GLN 137.A NE2 GLY 119.A O no hydrogen 3.095 N/A ILE 138.A N VAL 134.A O no hydrogen 3.266 N/A ALA 139.A N LEU 135.A O no hydrogen 2.945 N/A ALA 140.A N THR 136.A O no hydrogen 3.092 N/A ALA 142.A N ILE 138.A O no hydrogen 2.785 N/A LYS 143.A N ALA 139.A O no hydrogen 3.016 N/A LYS 144.A N ILE 141.A O no hydrogen 3.161 N/A LYS 144.A NZ ASP 102.A OD1 no hydrogen 2.273 N/A LEU 145.A N ALA 142.A O no hydrogen 2.967 N/A LYS 146.A N ASP 149.A OD2 no hydrogen 2.579 N/A LYS 147.A NZ ILE 189.A O no hydrogen 3.154 N/A LYS 147.A NZ ASP 192.A OD1 no hydrogen 3.120 N/A TRP 150.A N LYS 147.A O no hydrogen 3.253 N/A ALA 151.A N ALA 148.A O no hydrogen 2.998 N/A LYS 152.A N ASP 149.A O no hydrogen 2.823 N/A VAL 153.A N TRP 150.A O no hydrogen 3.118 N/A VAL 154.A N VAL 114.A O no hydrogen 2.762 N/A ILE 155.A N ARG 198.A O no hydrogen 3.211 N/A ALA 156.A N ALA 116.A O no hydrogen 3.178 N/A TYR 157.A N LEU 200.A O no hydrogen 2.725 N/A TYR 157.A OH GLU 120.A OE2 no hydrogen 3.094 N/A GLU 158.A N ILE 118.A O no hydrogen 2.616 N/A VAL 160.A N GLU 158.A O no hydrogen 2.841 N/A TRP 161.A N GLU 120.A O no hydrogen 3.088 N/A TRP 161.A NE1 TYR 157.A OH no hydrogen 3.051 N/A ALA 162.A N PRO 159.A O no hydrogen 2.666 N/A ILE 163.A N VAL 160.A O no hydrogen 3.121 N/A THR 165.A OG1 TRP 161.A O no hydrogen 3.026 N/A LYS 167.A N THR 165.A OG1 no hydrogen 2.905 N/A THR 170.A N GLN 173.A OE1 no hydrogen 2.759 N/A GLN 173.A N THR 170.A O no hydrogen 2.964 N/A GLN 173.A N THR 170.A OG1 no hydrogen 3.111 N/A ALA 174.A N THR 170.A O no hydrogen 3.109 N/A GLN 175.A N PRO 171.A O no hydrogen 2.827 N/A GLN 175.A NE2 ASP 218.A OD1 no hydrogen 2.632 N/A GLU 176.A N GLN 172.A O no hydrogen 3.058 N/A ALA 177.A N GLN 173.A O no hydrogen 2.867 N/A HIS 178.A N ALA 174.A O no hydrogen 2.863 N/A HIS 178.A ND1 ASP 218.A O no hydrogen 3.203 N/A ALA 179.A N GLN 175.A O no hydrogen 2.880 N/A LEU 180.A N GLU 176.A O no hydrogen 3.340 N/A ILE 181.A N ALA 177.A O no hydrogen 3.379 N/A ARG 182.A N HIS 178.A O no hydrogen 3.052 N/A ARG 182.A NE ASP 218.A OD2 no hydrogen 2.562 N/A ARG 182.A NH1 ALA 194.A O no hydrogen 2.894 N/A ARG 182.A NH1 LEU 197.A O no hydrogen 2.879 N/A ARG 182.A NH2 LEU 197.A O no hydrogen 3.439 N/A ARG 182.A NH2 ASP 218.A O no hydrogen 3.118 N/A ARG 182.A NH2 ASN 220.A OD1 no hydrogen 2.713 N/A SER 183.A N ALA 179.A O no hydrogen 2.668 N/A SER 183.A OG ALA 179.A O no hydrogen 3.517 N/A TRP 184.A N LEU 180.A O no hydrogen 3.102 N/A VAL 185.A N ILE 181.A O no hydrogen 3.069 N/A SER 186.A N ARG 182.A O no hydrogen 3.039 N/A SER 187.A N SER 183.A O no hydrogen 2.956 N/A SER 187.A OG SER 183.A O no hydrogen 2.686 N/A LYS 188.A N TRP 184.A O no hydrogen 2.971 N/A ILE 189.A N VAL 185.A O no hydrogen 2.529 N/A GLY 190.A N VAL 185.A O no hydrogen 3.034 N/A ALA 194.A N GLY 190.A O no hydrogen 2.896 N/A GLY 195.A N ALA 191.A O no hydrogen 3.055 N/A GLU 196.A N ASP 192.A O no hydrogen 3.399 N/A GLU 196.A N VAL 193.A O no hydrogen 3.261 N/A LEU 197.A N ALA 194.A O no hydrogen 3.169 N/A ARG 198.A NH2 GLN 4.A O no hydrogen 2.899 N/A ARG 198.A NH2 GLN 4.A OE1 no hydrogen 3.110 N/A ILE 199.A N ASN 220.A OD1 no hydrogen 3.154 N/A LEU 200.A N ILE 155.A O no hydrogen 2.481 N/A TYR 201.A N GLY 221.A O no hydrogen 3.101 N/A GLY 202.A N TYR 157.A O no hydrogen 2.894 N/A ASN 206.A N ASN 209.A OD1 no hydrogen 2.883 N/A ASN 209.A N ASN 206.A O no hydrogen 3.438 N/A ASN 209.A ND2 SER 204.A O no hydrogen 3.676 N/A ALA 210.A N ASN 206.A O no hydrogen 3.035 N/A LEU 213.A N ASN 209.A O no hydrogen 3.021 N/A TYR 214.A N ALA 210.A O no hydrogen 2.719 N/A GLN 215.A N ARG 211.A O no hydrogen 3.006 N/A GLN 216.A N LEU 213.A O no hydrogen 3.450 N/A GLN 216.A NE2 THR 212.A O no hydrogen 3.059 N/A ARG 217.A NE ASP 218.A OD1 no hydrogen 3.267 N/A ARG 217.A NH2 ASP 218.A OD1 no hydrogen 3.047 N/A ASP 218.A N GLN 175.A OE1 no hydrogen 2.921 N/A VAL 219.A N GLN 216.A O no hydrogen 3.105 N/A ASN 220.A N ILE 199.A O no hydrogen 3.227 N/A PHE 222.A N ILE 6.A O no hydrogen 3.022 N/A LEU 223.A N TYR 201.A O no hydrogen 2.990 N/A VAL 224.A N ALA 8.A O no hydrogen 2.853 N/A LEU 226.A N ASN 10.A O no hydrogen 2.738 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.913 N/A PHE 230.A N LYS 227.A O no hydrogen 2.883 N/A ASP 232.A N GLU 229.A O no hydrogen 2.813 N/A ILE 233.A N GLU 229.A O no hydrogen 3.149 N/A ILE 234.A N PHE 230.A O no hydrogen 2.889 N/A LYS 235.A N VAL 231.A O no hydrogen 3.165 N/A ALA 236.A N ILE 233.A O no hydrogen 3.093 N/A THR 237.A N ILE 234.A O no hydrogen 2.883 N/A THR 237.A OG1 HIS 33.A NE2 no hydrogen 2.893 N/A THR 237.A OG1 ILE 234.A O no hydrogen 2.525 N/A