Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s6u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 6.A N TYR 51.A O no hydrogen 2.818 N/A SER 9.A OG GLY 8.A O no hydrogen 3.245 N/A CYS 11.A SG GLU 56.A OE1 no hydrogen 3.856 N/A MET 12.A N GLU 56.A OE2 no hydrogen 2.931 N/A VAL 13.A N GLU 56.A OE2 no hydrogen 3.008 N/A ARG 18.A N ASP 14.A O no hydrogen 3.236 N/A GLU 19.A N ARG 15.A O no hydrogen 2.823 N/A ALA 20.A N PRO 16.A O no hydrogen 2.937 N/A ILE 21.A N PHE 17.A O no hydrogen 3.021 N/A ASP 22.A N ARG 18.A O no hydrogen 2.906 N/A THR 23.A N GLU 19.A O no hydrogen 2.754 N/A THR 23.A OG1 GLU 19.A O no hydrogen 2.748 N/A PHE 24.A N ALA 20.A O no hydrogen 3.069 N/A HIS 25.A N ILE 21.A O no hydrogen 3.087 N/A HIS 25.A ND1 ILE 21.A O no hydrogen 2.670 N/A HIS 25.A NE2 TYR 132.A OH no hydrogen 2.746 N/A ASN 26.A N ASP 22.A O no hydrogen 2.903 N/A ASN 26.A ND2 ASP 22.A OD2 no hydrogen 3.400 N/A ASN 26.A ND2 LEU 49.A O no hydrogen 3.232 N/A GLY 27.A N THR 23.A O no hydrogen 2.780 N/A LEU 28.A N PHE 24.A O no hydrogen 3.418 N/A ARG 29.A N HIS 25.A O no hydrogen 3.140 N/A ARG 29.A NE VAL 108.A O no hydrogen 2.962 N/A ARG 29.A NH1 TYR 47.A O no hydrogen 2.405 N/A ARG 29.A NH1 ALA 113.A O no hydrogen 3.509 N/A ARG 29.A NH2 VAL 108.A O no hydrogen 3.452 N/A ARG 29.A NH2 TYR 110.A O no hydrogen 2.274 N/A GLN 30.A N ASN 26.A O no hydrogen 3.026 N/A ARG 31.A N GLY 27.A O no hydrogen 3.315 N/A ILE 32.A N LEU 28.A O no hydrogen 2.933 N/A ALA 33.A N ARG 29.A O no hydrogen 2.858 N/A LYS 34.A N GLN 30.A O no hydrogen 3.161 N/A GLY 35.A N ILE 32.A O no hydrogen 3.018 N/A GLU 36.A N ARG 31.A O no hydrogen 2.999 N/A TYR 40.A N ALA 37.A O no hydrogen 2.962 N/A ARG 44.A N ALA 33.A O no hydrogen 3.253 N/A ARG 44.A NH1 TYR 40.A O no hydrogen 2.929 N/A ARG 44.A NH2 TYR 40.A O no hydrogen 3.367 N/A GLU 45.A N GLY 144.A O no hydrogen 2.770 N/A TYR 47.A N PRO 111.A O no hydrogen 3.358 N/A TYR 47.A OH TYR 157.A O no hydrogen 3.255 N/A TYR 47.A OH SER 160.A OG no hydrogen 2.838 N/A GLY 48.A N CYS 167.A O no hydrogen 2.770 N/A LEU 49.A N ASN 26.A OD1 no hydrogen 2.937 N/A VAL 50.A N THR 114.A O no hydrogen 2.715 N/A TYR 51.A N VAL 4.A O no hydrogen 2.730 N/A TYR 51.A OH GLU 56.A OE1 no hydrogen 2.493 N/A ASP 52.A N PHE 116.A O no hydrogen 2.869 N/A CYS 53.A N ASN 6.A O no hydrogen 3.144 N/A CYS 53.A SG ASP 5.A OD1 no hydrogen 3.594 N/A CYS 53.A SG ASN 6.A O no hydrogen 3.726 N/A GLY 54.A N ASP 52.A OD1 no hydrogen 2.605 N/A LEU 55.A N ASP 52.A OD1 no hydrogen 3.223 N/A GLU 56.A N ASP 52.A O no hydrogen 2.847 N/A GLU 57.A N CYS 53.A O no hydrogen 3.029 N/A GLU 58.A N GLY 54.A O no hydrogen 2.980 N/A ALA 59.A N LEU 55.A O no hydrogen 2.921 N/A ARG 60.A N GLU 56.A O no hydrogen 3.050 N/A ARG 60.A NE GLU 57.A OE1 no hydrogen 2.940 N/A ARG 60.A NE GLU 57.A OE2 no hydrogen 2.721 N/A ARG 60.A NH2 GLU 57.A OE1 no hydrogen 2.853 N/A LYS 61.A N GLU 57.A O no hydrogen 3.050 N/A LYS 61.A NZ GLU 57.A OE1 no hydrogen 2.921 N/A GLU 62.A N GLU 58.A O no hydrogen 2.905 N/A ILE 63.A N ALA 59.A O no hydrogen 2.969 N/A LYS 64.A N ARG 60.A O no hydrogen 3.279 N/A GLY 67.A N GLU 62.A OE1 no hydrogen 3.394 N/A GLY 67.A N GLU 62.A OE2 no hydrogen 3.195 N/A TYR 68.A N LEU 65.A O no hydrogen 3.388 N/A ALA 69.A N GLU 62.A OE2 no hydrogen 2.941 N/A LEU 71.A N GLY 67.A O no hydrogen 3.308 N/A HIS 72.A N ALA 69.A O no hydrogen 2.959 N/A HIS 73.A N ASP 70.A O no hydrogen 2.826 N/A ARG 74.A N ALA 69.A O no hydrogen 3.164 N/A ARG 74.A NE GLU 58.A OE2 no hydrogen 2.880 N/A ARG 74.A NH2 GLU 58.A OE1 no hydrogen 2.745 N/A GLY 75.A N TYR 132.A O no hydrogen 2.921 N/A THR 77.A N CYS 130.A O no hydrogen 2.992 N/A THR 77.A OG1 TYR 132.A OH no hydrogen 2.644 N/A ARG 78.A NH2 GLU 62.A OE1 no hydrogen 2.932 N/A PHE 79.A N TRP 128.A O no hydrogen 3.113 N/A SER 80.A OG ASP 127.A OD2 no hydrogen 3.080 N/A GLY 81.A N MET 126.A O no hydrogen 3.179 N/A TYR 83.A N ARG 124.A O no hydrogen 2.918 N/A SER 89.A N SER 86.A OG no hydrogen 3.020 N/A ALA 90.A N SER 86.A O no hydrogen 3.133 N/A LEU 91.A N ALA 87.A O no hydrogen 3.201 N/A LYS 92.A N ILE 88.A O no hydrogen 3.106 N/A GLU 93.A N SER 89.A O no hydrogen 3.302 N/A GLU 93.A N ALA 90.A O no hydrogen 3.053 N/A ILE 94.A N ALA 90.A O no hydrogen 2.903 N/A LEU 95.A N LEU 91.A O no hydrogen 2.982 N/A THR 97.A N GLU 93.A O no hydrogen 3.022 N/A PHE 98.A N ILE 94.A O no hydrogen 2.647 N/A SER 99.A N LEU 95.A O no hydrogen 2.714 N/A SER 99.A N GLU 96.A O no hydrogen 3.167 N/A SER 99.A OG GLU 96.A O no hydrogen 2.566 N/A ALA 100.A N THR 97.A O no hydrogen 3.044 N/A ASP 101.A N PHE 98.A O no hydrogen 2.987 N/A SER 104.A N ASP 101.A OD2 no hydrogen 2.830 N/A SER 104.A OG ASP 101.A OD2 no hydrogen 2.535 N/A MET 105.A N ASP 101.A O no hydrogen 2.896 N/A ARG 106.A N ASN 103.A O no hydrogen 3.251 N/A ARG 106.A NH1 LYS 137.A O no hydrogen 3.395 N/A ARG 106.A NH2 LYS 137.A O no hydrogen 3.400 N/A GLN 107.A N SER 104.A O no hydrogen 2.928 N/A GLN 107.A NE2 GLN 107.A O no hydrogen 2.996 N/A GLN 107.A NE2 LYS 134.A O no hydrogen 2.854 N/A VAL 108.A N SER 104.A O no hydrogen 3.399 N/A TYR 110.A OH GLU 140.A OE2 no hydrogen 2.749 N/A ALA 113.A N TYR 110.A O no hydrogen 3.227 N/A THR 114.A N ASP 133.A OD2 no hydrogen 3.032 N/A THR 114.A OG1 ASP 133.A OD1 no hydrogen 2.636 N/A ARG 115.A N ASP 133.A OD2 no hydrogen 3.333 N/A ARG 115.A NH1 ASN 6.A OD1 no hydrogen 3.169 N/A ARG 115.A NH1 ASP 52.A OD2 no hydrogen 2.545 N/A ARG 115.A NH2 ASN 6.A OD1 no hydrogen 3.517 N/A PHE 116.A N VAL 50.A O no hydrogen 2.873 N/A GLY 117.A N VAL 131.A O no hydrogen 3.014 N/A CYS 118.A N TYR 51.A OH no hydrogen 3.263 N/A SER 119.A N VAL 129.A O no hydrogen 2.801 N/A ARG 121.A N ASP 127.A O no hydrogen 2.818 N/A ARG 121.A NH2 ASP 127.A OD1 no hydrogen 3.005 N/A ARG 123.A N ARG 125.A O no hydrogen 2.866 N/A ARG 125.A N ARG 123.A O no hydrogen 3.178 N/A MET 126.A N GLY 81.A O no hydrogen 3.157 N/A ASP 127.A N ARG 121.A O no hydrogen 3.084 N/A TRP 128.A N PHE 79.A O no hydrogen 2.862 N/A VAL 129.A N SER 119.A O no hydrogen 2.934 N/A CYS 130.A N THR 77.A O no hydrogen 3.032 N/A VAL 131.A N GLY 117.A O no hydrogen 2.711 N/A TYR 132.A N GLY 75.A O no hydrogen 2.765 N/A TYR 132.A OH HIS 25.A NE2 no hydrogen 2.746 N/A TYR 132.A OH THR 77.A OG1 no hydrogen 2.644 N/A ASP 133.A N ARG 115.A O no hydrogen 3.013 N/A LYS 137.A N GLU 140.A OE1 no hydrogen 3.081 N/A GLU 140.A N LYS 137.A O no hydrogen 3.059 N/A GLU 143.A N SER 141.A OG no hydrogen 3.343 N/A ASN 149.A N ASP 153.A OD2 no hydrogen 2.982 N/A GLU 150.A N ASP 153.A OD2 no hydrogen 3.519 N/A ASP 153.A N GLU 150.A O no hydrogen 2.606 N/A CYS 154.A N ASN 151.A O no hydrogen 3.106 N/A THR 155.A N GLU 45.A OE2 no hydrogen 2.631 N/A THR 155.A OG1 GLU 45.A OE1 no hydrogen 2.719 N/A THR 155.A OG1 GLU 45.A OE2 no hydrogen 3.320 N/A TYR 156.A N GLU 45.A OE2 no hydrogen 2.882 N/A TYR 157.A N TYR 47.A OH no hydrogen 2.746 N/A TYR 157.A OH LYS 112.A O no hydrogen 2.548 N/A SER 160.A OG TYR 47.A OH no hydrogen 2.838 N/A SER 160.A OG TYR 157.A O no hydrogen 3.068 N/A THR 161.A N TYR 168.A O no hydrogen 2.767 N/A CYS 162.A N ASN 151.A OD1 no hydrogen 2.901 N/A GLU 163.A N LEU 166.A O no hydrogen 2.814 N/A ASN 165.A ND2 ASN 165.A O no hydrogen 2.976 N/A LEU 166.A N GLU 163.A O no hydrogen 2.813 N/A CYS 167.A N MET 46.A O no hydrogen 2.988 N/A CYS 167.A SG MET 46.A O no hydrogen 3.723 N/A TYR 168.A N THR 161.A O no hydrogen 3.011 N/A THR 169.A OG1 LYS 158.A O no hydrogen 2.976 N/A THR 169.A OG1 GLY 159.A O no hydrogen 3.434 N/A THR 169.A OG1 PHE 171.A O no hydrogen 3.468 N/A PHE 171.A N THR 169.A OG1 no hydrogen 3.349 N/A