Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3edi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 98.A OE1 no hydrogen 3.502 N/A THR 3.A N GLY 94.A O no hydrogen 2.781 N/A SER 4.A N GLU 130.A O no hydrogen 3.074 N/A SER 4.A OG GLY 129B.A O no hydrogen 2.751 N/A ARG 5.A N THR 3.A OG1 no hydrogen 3.077 N/A ARG 5.A NE GLU 130.A OE1 no hydrogen 2.851 N/A ARG 5.A NH2 GLU 130.A OE1 no hydrogen 3.466 N/A ARG 5.A NH2 GLU 130.A OE2 no hydrogen 2.612 N/A ARG 8.A N ARG 5.A O no hydrogen 2.912 N/A ARG 8.A NH1 VAL 65.A O no hydrogen 2.762 N/A ILE 9.A N THR 6.A O no hydrogen 3.108 N/A TRP 10.A N TYR 191.A OH no hydrogen 3.188 N/A TRP 10.A NE1 VAL 92.A O no hydrogen 2.841 N/A GLY 13.A N TRP 10.A O no hydrogen 3.021 N/A VAL 14.A N PRO 11.A O no hydrogen 3.418 N/A ILE 15.A N THR 45.A O no hydrogen 2.894 N/A TYR 17.A N ILE 47.A O no hydrogen 2.890 N/A VAL 18.A N ILE 56.A O no hydrogen 2.891 N/A GLN 27.A N THR 24.A OG1 no hydrogen 3.059 N/A ARG 28.A N THR 24.A O no hydrogen 2.861 N/A ALA 29.A N GLY 25.A O no hydrogen 2.980 N/A MET 30.A N SER 26.A O no hydrogen 3.032 N/A PHE 31.A N GLN 27.A O no hydrogen 2.916 N/A LYS 32.A N ARG 28.A O no hydrogen 3.063 N/A GLN 33.A N ALA 29.A O no hydrogen 2.869 N/A ALA 34.A N MET 30.A O no hydrogen 2.922 N/A MET 35.A N PHE 31.A O no hydrogen 2.946 N/A ARG 36.A N LYS 32.A O no hydrogen 2.786 N/A ARG 36.A NH1 GLU 39.A OE1 no hydrogen 2.944 N/A HIS 37.A N GLN 33.A O no hydrogen 2.918 N/A TRP 38.A N ALA 34.A O no hydrogen 3.404 N/A TRP 38.A NE1 VAL 86.A O no hydrogen 2.991 N/A GLU 39.A N MET 35.A O no hydrogen 3.012 N/A LYS 40.A N ARG 36.A O no hydrogen 2.861 N/A HIS 41.A N TRP 38.A O no hydrogen 3.394 N/A HIS 41.A ND1 HIS 37.A O no hydrogen 3.166 N/A THR 42.A N GLU 39.A O no hydrogen 3.283 N/A THR 42.A OG1 TRP 38.A O no hydrogen 2.753 N/A CYS 43.A SG TYR 191.A O no hydrogen 3.704 N/A VAL 44.A N THR 42.A OG1 no hydrogen 3.109 N/A THR 45.A N GLY 13.A O no hydrogen 2.903 N/A PHE 46.A N GLU 39.A OE2 no hydrogen 2.813 N/A ILE 47.A N ILE 15.A O no hydrogen 3.118 N/A ARG 49.A N TYR 17.A O no hydrogen 2.943 N/A ARG 49.A NE GLU 52.A O no hydrogen 2.825 N/A ARG 49.A NH2 GLU 52.A O no hydrogen 3.082 N/A SER 50.A N GLU 52.A OE1 no hydrogen 2.760 N/A SER 50.A OG ASP 51.A OD1 no hydrogen 3.296 N/A SER 50.A OG GLU 52.A OE1 no hydrogen 3.369 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 2.810 N/A SER 54.A OG GLY 71.A O no hydrogen 3.404 N/A ILE 56.A N PRO 16.A O no hydrogen 2.955 N/A VAL 57.A N GLN 73.A O no hydrogen 2.912 N/A PHE 58.A N VAL 18.A O no hydrogen 3.000 N/A THR 59.A N ILE 75.A O no hydrogen 3.222 N/A CYS 62.A SG HIS 87.A NE2 no hydrogen 3.771 N/A CYS 62.A SG GLU 88.A OE2 no hydrogen 3.389 N/A CYS 62.A SG HIS 97.A NE2 no hydrogen 3.549 N/A SER 63.A N GLU 88.A OE1 no hydrogen 2.707 N/A SER 63.A OG TYR 64.A O no hydrogen 2.666 N/A GLY 66.A N HIS 91.A O no hydrogen 2.824 N/A ARG 67.A N ARG 8.A O no hydrogen 2.794 N/A ARG 68.A N GLN 73.A OE1 no hydrogen 2.878 N/A ARG 68.A NH2 PRO 72.A O no hydrogen 2.916 N/A GLY 71.A N SER 54.A OG no hydrogen 3.139 N/A GLN 73.A N TYR 55.A O no hydrogen 2.954 N/A GLN 73.A NE2 GLY 66.A O no hydrogen 2.870 N/A ILE 75.A N VAL 57.A O no hydrogen 2.967 N/A VAL 85.A N LYS 81.A O no hydrogen 3.114 N/A VAL 86.A N PHE 82.A O no hydrogen 2.896 N/A HIS 87.A N GLY 83.A O no hydrogen 3.021 N/A HIS 87.A ND1 ILE 143.A O no hydrogen 2.784 N/A GLU 88.A N ILE 84.A O no hydrogen 2.981 N/A LEU 89.A N VAL 85.A O no hydrogen 2.833 N/A GLY 90.A N VAL 86.A O no hydrogen 2.918 N/A HIS 91.A N HIS 87.A O no hydrogen 3.170 N/A HIS 91.A ND1 PHE 95.A O no hydrogen 2.807 N/A HIS 91.A NE2 HIS 97.A NE2 no hydrogen 3.087 N/A VAL 92.A N GLU 88.A O no hydrogen 3.026 N/A ILE 93.A N LEU 89.A O no hydrogen 2.937 N/A GLY 94.A N GLY 90.A O no hydrogen 3.191 N/A PHE 95.A N GLY 90.A O no hydrogen 2.984 N/A TRP 96.A N ALA 1.A O no hydrogen 2.803 N/A GLU 98.A N MET 144.A O no hydrogen 3.073 N/A HIS 99.A NE2 ASN 122.A O no hydrogen 2.821 N/A THR 100.A N HIS 97.A O no hydrogen 3.008 N/A THR 100.A OG1 HIS 97.A O no hydrogen 2.735 N/A ARG 101.A N GLU 98.A O no hydrogen 3.077 N/A ARG 101.A NE ASP 103.A OD1 no hydrogen 2.836 N/A ARG 101.A NH1 GLU 136.A O no hydrogen 3.002 N/A ARG 101.A NH2 ASP 103.A OD1 no hydrogen 3.373 N/A ARG 101.A NH2 ASP 103.A OD2 no hydrogen 2.932 N/A ARG 101.A NH2 GLU 136.A O no hydrogen 2.915 N/A ARG 104.A N ARG 101.A O no hydrogen 2.951 N/A ARG 104.A NE ASP 105.A OD1 no hydrogen 2.833 N/A ARG 104.A NH1 HIS 99.A O no hydrogen 2.847 N/A ARG 104.A NH1 PHE 123.A O no hydrogen 2.754 N/A ARG 104.A NH2 PHE 123.A O no hydrogen 2.992 N/A ASN 106.A N ASP 103.A O no hydrogen 3.152 N/A ASN 106.A ND2 ASP 103.A O no hydrogen 3.393 N/A HIS 107.A N ARG 104.A O no hydrogen 2.909 N/A VAL 108.A N ARG 104.A O no hydrogen 2.972 N/A THR 109.A N LEU 161.A O no hydrogen 2.904 N/A THR 109.A OG1.B LEU 161.A O no hydrogen 3.132 N/A ILE 111.A N.A THR 159.A O no hydrogen 2.923 N/A ILE 111.A N.B THR 159.A O no hydrogen 2.896 N/A ASN 114.A N ILE 111.A O.A no hydrogen 3.004 N/A ASN 114.A N ILE 111.A O.B no hydrogen 3.018 N/A ASN 114.A ND2 ASP 158.A O no hydrogen 2.878 N/A ILE 115.A N ARG 112.A O no hydrogen 3.046 N/A GLN 116.A N PHE 151.A O no hydrogen 2.833 N/A GLN 116.A NE2 SER 152.A O no hydrogen 2.812 N/A GLY 118.A N GLU 120.A OE1 no hydrogen 2.783 N/A GLN 119.A N GLN 116.A O no hydrogen 2.933 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.841 N/A ASN 122.A N GLN 119.A O no hydrogen 3.124 N/A ASN 122.A ND2 GLN 119.A O no hydrogen 2.964 N/A ASN 122.A ND2 GLN 119.A OE1 no hydrogen 2.967 N/A PHE 123.A N GLU 120.A O no hydrogen 2.907 N/A LEU 124.A N TYR 121.A O no hydrogen 3.305 N/A LYS 125.A NZ ASP 105.A OD2 no hydrogen 2.762 N/A MET 126.A N THR 100.A O no hydrogen 2.814 N/A GLU 130.A N GLU 127.A O no hydrogen 2.904 N/A ASN 132.A N ALA 2.A O no hydrogen 3.008 N/A LEU 134.A N ASN 132.A OD1 no hydrogen 2.815 N/A GLU 136.A N SER 133.A O no hydrogen 3.024 N/A TYR 138.A OH HIS 145.A NE2 no hydrogen 2.731 N/A ASP 139.A N GLU 98.A OE2 no hydrogen 2.948 N/A ASP 141.A N ASP 139.A OD1 no hydrogen 3.020 N/A SER 142.A N ASP 139.A O no hydrogen 3.151 N/A SER 142.A OG ASP 183.A OD1 no hydrogen 2.587 N/A ILE 143.A N ASP 183.A OD2 no hydrogen 2.797 N/A MET 144.A N SER 142.A OG no hydrogen 2.883 N/A HIS 145.A N SER 142.A O no hydrogen 3.109 N/A HIS 145.A ND1 TYR 146.A O no hydrogen 2.778 N/A HIS 145.A NE2 TYR 138.A OH no hydrogen 2.731 N/A ALA 147.A N THR 150.A OG1 no hydrogen 3.059 N/A ARG 148.A NE ASP 158.A OD1 no hydrogen 2.846 N/A ARG 148.A NE ASP 158.A OD2 no hydrogen 3.340 N/A ARG 148.A NH2 ASP 158.A OD1 no hydrogen 3.570 N/A ARG 148.A NH2 ASP 158.A OD2 no hydrogen 2.776 N/A THR 150.A N ALA 147.A O no hydrogen 3.443 N/A THR 150.A OG1 ALA 147.A O no hydrogen 3.368 N/A SER 152.A N ASN 149.A O no hydrogen 3.023 N/A SER 152.A OG GLY 154.A O no hydrogen 3.023 N/A SER 152.A OG LEU 157.A O no hydrogen 2.539 N/A ARG 153.A N ASN 114.A O no hydrogen 2.883 N/A ARG 153.A NH1 GLU 113.A O no hydrogen 2.871 N/A GLY 154.A N SER 152.A OG no hydrogen 3.138 N/A LEU 157.A N GLY 154.A O no hydrogen 3.350 N/A THR 159.A N ARG 148.A O no hydrogen 2.773 N/A THR 159.A OG1 ARG 148.A O no hydrogen 3.346 N/A THR 159.A OG1 THR 150.A O no hydrogen 2.840 N/A ILE 160.A N ARG 148.A O no hydrogen 3.143 N/A LEU 161.A N THR 109.A O no hydrogen 2.901 N/A SER 163.A N HIS 107.A O no hydrogen 2.810 N/A SER 163.A OG.A ARG 164.A O no hydrogen 3.474 N/A ARG 164.A NH1.A GLY 168D.A O no hydrogen 2.666 N/A ILE 169.A N ASP 165A.A OD1 no hydrogen 2.950 N/A ARG 170.A NH1 PRO 162.A O no hydrogen 2.672 N/A GLN 175.A NE2 ASP 141.A O no hydrogen 2.845 N/A GLN 175.A NE2 ARG 178.A O no hydrogen 2.783 N/A ARG 176.A NH1 HIS 145.A O no hydrogen 2.922 N/A ARG 176.A NH1 GLN 175.A O no hydrogen 2.859 N/A ARG 176.A NH2 HIS 145.A O no hydrogen 2.922 N/A THR 177.A N GLN 175.A OE1 no hydrogen 2.707 N/A THR 177.A OG1.A GLN 175.A OE1 no hydrogen 3.246 N/A ARG 178.A N GLN 175.A OE1 no hydrogen 3.156 N/A ARG 178.A NH1 ASP 141.A OD1.A no hydrogen 2.747 N/A ARG 178.A NH1 ARG 178.A O no hydrogen 3.278 N/A ARG 178.A NH2 ASP 141.A OD1.A no hydrogen 2.869 N/A SER 180.A N ASP 183.A OD2 no hydrogen 3.128 N/A SER 180.A OG ASP 139.A OD2 no hydrogen 2.524 N/A ASP 183.A N SER 180.A OG no hydrogen 2.837 N/A ILE 184.A N SER 180.A O no hydrogen 3.131 N/A ALA 185.A N LYS 181.A O no hydrogen 2.972 N/A GLN 186.A N GLY 182.A O no hydrogen 2.983 N/A GLN 186.A NE2 SER 133.A O no hydrogen 2.964 N/A ALA 187.A N ASP 183.A O no hydrogen 2.917 N/A ARG 188.A N ILE 184.A O no hydrogen 2.993 N/A ARG 188.A NE HIS 41.A O no hydrogen 2.829 N/A ARG 188.A NH2 HIS 41.A O no hydrogen 3.065 N/A LYS 189.A N ALA 185.A O no hydrogen 3.229 N/A LYS 189.A NZ LEU 134.A O no hydrogen 2.858 N/A LYS 189.A NZ GLU 136.A OE2 no hydrogen 2.755 N/A LEU 190.A N GLN 186.A O no hydrogen 2.892 N/A TYR 191.A N ALA 187.A O no hydrogen 3.038 N/A TYR 191.A OH ILE 93.A O no hydrogen 2.688 N/A ARG 192.A N LYS 189.A O no hydrogen 3.146 N/A CYS 193.A N ARG 188.A O no hydrogen 2.863 N/A CYS 193.A SG ARG 188.A O no hydrogen 3.608 N/A ASN 22A.A N ASN 22A.A OD1 no hydrogen 2.496 N/A ASP 165A.A N ILE 169.A O no hydrogen 2.934 N/A ASN 167C.A N ASP 165A.A OD1 no hydrogen 2.879 N/A GLY 168D.A N ASP 165A.A O no hydrogen 2.860 N/A