Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3whb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N ARG 1.A O no hydrogen 3.088 N/A GLN 6.A N PRO 2.A O no hydrogen 3.030 N/A ILE 7.A N LYS 3.A O no hydrogen 3.056 N/A ILE 8.A N TYR 4.A O no hydrogen 3.069 N/A ASP 9.A N MET 5.A O no hydrogen 2.881 N/A ALA 10.A N GLN 6.A O no hydrogen 2.998 N/A ALA 11.A N ILE 7.A O no hydrogen 2.840 N/A VAL 12.A N ILE 8.A O no hydrogen 2.953 N/A GLU 13.A N ASP 9.A O no hydrogen 3.133 N/A VAL 14.A N ALA 10.A O no hydrogen 2.852 N/A ILE 15.A N ALA 11.A O no hydrogen 2.735 N/A ALA 16.A N VAL 12.A O no hydrogen 2.975 N/A GLU 17.A N GLU 13.A O no hydrogen 2.981 N/A ASN 18.A N VAL 14.A O no hydrogen 2.873 N/A ASN 18.A ND2 VAL 14.A O no hydrogen 3.261 N/A GLY 19.A N ILE 15.A O no hydrogen 2.859 N/A TYR 20.A N GLU 103.A OE1 no hydrogen 2.796 N/A SER 23.A N TYR 20.A O no hydrogen 3.269 N/A SER 23.A OG VAL 14.A O no hydrogen 3.511 N/A SER 23.A OG GLY 19.A O no hydrogen 2.506 N/A ILE 28.A N GLN 24.A O no hydrogen 3.130 N/A ALA 29.A N VAL 25.A O no hydrogen 2.835 N/A LYS 30.A N SER 26.A O no hydrogen 2.933 N/A GLN 31.A N LYS 27.A O no hydrogen 2.931 N/A ALA 32.A N ILE 28.A O no hydrogen 2.848 N/A GLY 33.A N LYS 30.A O no hydrogen 3.067 N/A VAL 34.A N ALA 29.A O no hydrogen 3.033 N/A THR 38.A N ALA 35.A O no hydrogen 3.004 N/A THR 38.A OG1 ALA 35.A O no hydrogen 3.311 N/A ILE 39.A N ASP 36.A O no hydrogen 3.039 N/A LEU 41.A N GLY 37.A O no hydrogen 3.176 N/A TYR 42.A N ILE 39.A O no hydrogen 3.010 N/A PHE 43.A N ILE 39.A O no hydrogen 2.898 N/A LYS 44.A N ASP 48.A OD2 no hydrogen 2.823 N/A LYS 46.A NZ TYR 20.A O no hydrogen 3.093 N/A LYS 46.A NZ SER 23.A O no hydrogen 2.769 N/A ASP 48.A N ASN 45.A OD1 no hydrogen 2.916 N/A ILE 49.A N ASN 45.A O no hydrogen 3.043 N/A LEU 50.A N LYS 46.A O no hydrogen 3.081 N/A ILE 51.A N GLU 47.A O no hydrogen 3.087 N/A SER 52.A N ASP 48.A O no hydrogen 2.959 N/A SER 52.A OG ASP 48.A O no hydrogen 2.728 N/A SER 52.A OG ASP 48.A OD1 no hydrogen 3.316 N/A LEU 53.A N ILE 49.A O no hydrogen 2.848 N/A PHE 54.A N LEU 50.A O no hydrogen 3.142 N/A LYS 55.A N ILE 51.A O no hydrogen 2.800 N/A GLU 56.A N SER 52.A O no hydrogen 2.750 N/A LYS 57.A N LEU 53.A O no hydrogen 2.984 N/A MET 58.A N PHE 54.A O no hydrogen 2.917 N/A GLY 59.A N LYS 55.A O no hydrogen 3.020 N/A GLN 60.A N GLU 56.A O no hydrogen 3.236 N/A GLN 60.A NE2 GLU 56.A OE2 no hydrogen 2.772 N/A PHE 61.A N LYS 57.A O no hydrogen 2.842 N/A ILE 62.A N MET 58.A O no hydrogen 2.969 N/A GLU 63.A N GLY 59.A O no hydrogen 3.119 N/A ARG 64.A N GLN 60.A O no hydrogen 3.334 N/A MET 65.A N PHE 61.A O no hydrogen 3.268 N/A GLU 66.A N ILE 62.A O no hydrogen 2.556 N/A ASP 68.A N ARG 64.A O no hydrogen 3.241 N/A ILE 69.A N MET 65.A O no hydrogen 2.845 N/A LYS 72.A N ILE 69.A O no hydrogen 2.939 N/A ALA 73.A N GLU 77.A OE1 no hydrogen 3.172 N/A THR 74.A N GLU 77.A OE1 no hydrogen 2.908 N/A ALA 75.A N GLU 138.A OE1 no hydrogen 2.591 N/A LYS 76.A N GLU 138.A OE2 no hydrogen 3.052 N/A LYS 76.A NZ GLU 181.A OE2 no hydrogen 3.156 N/A GLU 77.A N THR 74.A OG1 no hydrogen 3.161 N/A LYS 78.A N THR 74.A O no hydrogen 3.028 N/A LYS 78.A NZ ILE 69.A O no hydrogen 3.344 N/A LYS 78.A NZ LYS 72.A O no hydrogen 3.219 N/A LEU 79.A N ALA 75.A O no hydrogen 2.886 N/A ALA 80.A N LYS 76.A O no hydrogen 2.900 N/A LEU 81.A N GLU 77.A O no hydrogen 3.259 N/A VAL 82.A N LYS 78.A O no hydrogen 2.960 N/A ILE 83.A N LEU 79.A O no hydrogen 2.922 N/A SER 84.A N ALA 80.A O no hydrogen 3.179 N/A SER 84.A OG ALA 80.A O no hydrogen 3.142 N/A SER 84.A OG LEU 81.A O no hydrogen 3.345 N/A LYS 85.A N LEU 81.A O no hydrogen 3.000 N/A LYS 85.A NZ ASP 68.A OD2 no hydrogen 3.316 N/A HIS 86.A N VAL 82.A O no hydrogen 2.944 N/A HIS 86.A ND1 TYR 122.A OH no hydrogen 2.770 N/A PHE 87.A N ILE 83.A O no hydrogen 2.827 N/A SER 88.A N SER 84.A O no hydrogen 2.737 N/A SER 88.A OG SER 84.A O no hydrogen 2.695 N/A LEU 89.A N LYS 85.A O no hydrogen 2.933 N/A LEU 90.A N HIS 86.A O no hydrogen 3.450 N/A ALA 91.A N PHE 87.A O no hydrogen 2.937 N/A GLY 92.A N SER 88.A O no hydrogen 3.000 N/A HIS 94.A ND1 ASN 95.A OD1 no hydrogen 3.320 N/A LEU 96.A N ASP 93.A OD1 no hydrogen 3.048 N/A ALA 97.A N ASP 93.A O no hydrogen 3.100 N/A ILE 98.A N HIS 94.A O no hydrogen 3.275 N/A VAL 99.A N ASN 95.A O no hydrogen 3.014 N/A THR 100.A N LEU 96.A O no hydrogen 2.856 N/A THR 100.A OG1 LEU 96.A O no hydrogen 3.246 N/A THR 100.A OG1 ALA 97.A O no hydrogen 3.164 N/A THR 100.A OG1 GLN 101.A OE1 no hydrogen 3.003 N/A GLN 101.A N ALA 97.A O no hydrogen 3.080 N/A GLN 101.A NE2 ASP 157.A OD1 no hydrogen 3.076 N/A GLN 101.A NE2 THR 161.A OG1 no hydrogen 2.701 N/A LEU 102.A N ILE 98.A O no hydrogen 2.875 N/A GLU 103.A N ILE 98.A O no hydrogen 3.241 N/A LEU 104.A N VAL 99.A O no hydrogen 2.735 N/A ARG 105.A N LEU 102.A O no hydrogen 2.968 N/A ARG 105.A NE THR 100.A O no hydrogen 2.849 N/A ARG 105.A NH1 ASP 157.A OD2 no hydrogen 2.715 N/A ARG 105.A NH2 THR 100.A O no hydrogen 2.945 N/A ARG 105.A NH2 ASP 157.A OD1 no hydrogen 2.700 N/A ARG 105.A NH2 ASP 157.A OD2 no hydrogen 3.342 N/A GLN 106.A NE2 GLU 103.A O no hydrogen 2.556 N/A LEU 111.A N ASN 108.A OD1 no hydrogen 3.179 N/A ARG 112.A N ASN 108.A O no hydrogen 3.049 N/A ARG 112.A NH2 GLN 106.A O no hydrogen 2.895 N/A GLN 113.A N LEU 109.A O no hydrogen 3.062 N/A GLN 113.A N GLU 110.A O no hydrogen 3.033 N/A LYS 114.A N LEU 111.A O no hydrogen 3.041 N/A ILE 115.A N LEU 111.A O no hydrogen 3.210 N/A ASN 116.A N ARG 112.A O no hydrogen 3.122 N/A GLU 117.A N GLN 113.A O no hydrogen 3.228 N/A ILE 118.A N ILE 115.A O no hydrogen 3.024 N/A LEU 119.A N ILE 115.A O no hydrogen 3.321 N/A LYS 120.A N ASN 116.A O no hydrogen 3.147 N/A TYR 122.A OH HIS 86.A ND1 no hydrogen 2.770 N/A LEU 123.A N LEU 119.A O no hydrogen 3.031 N/A ASN 124.A N LYS 120.A O no hydrogen 2.836 N/A ILE 125.A N TYR 122.A O no hydrogen 2.987 N/A LEU 126.A N TYR 122.A O no hydrogen 3.358 N/A ASP 127.A N LEU 123.A O no hydrogen 3.032 N/A GLY 128.A N ASN 124.A O no hydrogen 2.958 N/A ILE 129.A N ILE 125.A O no hydrogen 2.937 N/A LEU 130.A N LEU 126.A O no hydrogen 3.012 N/A THR 131.A N ASP 127.A O no hydrogen 2.881 N/A THR 131.A OG1 ASP 127.A O no hydrogen 3.346 N/A THR 131.A OG1 GLY 128.A O no hydrogen 3.405 N/A GLU 132.A N GLY 128.A O no hydrogen 2.976 N/A GLY 133.A N ILE 129.A O no hydrogen 3.105 N/A ILE 134.A N LEU 130.A O no hydrogen 2.738 N/A GLN 135.A N THR 131.A O no hydrogen 2.978 N/A GLN 135.A NE2 THR 131.A O no hydrogen 3.226 N/A SER 136.A N GLU 132.A O no hydrogen 3.049 N/A SER 136.A OG GLU 132.A O no hydrogen 3.432 N/A SER 136.A OG GLY 133.A O no hydrogen 3.263 N/A GLY 137.A N ILE 134.A O no hydrogen 3.198 N/A GLU 138.A N GLY 133.A O no hydrogen 2.810 N/A ILE 139.A N GLY 133.A O no hydrogen 3.022 N/A LEU 147.A N ASP 144.A OD1 no hydrogen 3.003 N/A ALA 148.A N ASP 144.A O no hydrogen 2.893 N/A ARG 149.A N VAL 145.A O no hydrogen 2.929 N/A ARG 149.A NE ASP 127.A OD1 no hydrogen 2.986 N/A ARG 149.A NH2 ASP 127.A OD2 no hydrogen 3.002 N/A GLN 150.A N ARG 146.A O.A no hydrogen 3.072 N/A GLN 150.A N ARG 146.A O.B no hydrogen 3.071 N/A GLN 150.A NE2 ARG 146.A O.A no hydrogen 2.904 N/A GLN 150.A NE2 ARG 146.A O.B no hydrogen 2.879 N/A MET 151.A N LEU 147.A O no hydrogen 2.862 N/A ILE 152.A N ALA 148.A O no hydrogen 2.804 N/A PHE 153.A N ARG 149.A O no hydrogen 2.918 N/A GLY 154.A N GLN 150.A O no hydrogen 2.827 N/A THR 155.A N MET 151.A O no hydrogen 2.908 N/A THR 155.A OG1 MET 151.A O no hydrogen 2.815 N/A ILE 156.A N ILE 152.A O no hydrogen 3.030 N/A ASP 157.A N PHE 153.A O no hydrogen 2.767 N/A GLU 158.A N GLY 154.A O no hydrogen 2.906 N/A THR 159.A N THR 155.A O no hydrogen 3.090 N/A THR 159.A OG1 THR 155.A O no hydrogen 2.764 N/A VAL 160.A N ILE 156.A O no hydrogen 3.086 N/A THR 161.A N ASP 157.A O no hydrogen 2.881 N/A THR 161.A OG1 ASP 157.A O no hydrogen 3.076 N/A THR 162.A N GLU 158.A O no hydrogen 2.873 N/A THR 162.A OG1 GLU 158.A O no hydrogen 3.064 N/A THR 162.A OG1 GLU 158.A OE2 no hydrogen 3.031 N/A TRP 163.A N THR 159.A O no hydrogen 3.181 N/A TRP 163.A NE1 TYR 170.A O no hydrogen 2.840 N/A VAL 164.A N VAL 160.A O no hydrogen 2.847 N/A MET 165.A N THR 161.A O no hydrogen 2.759 N/A ASN 166.A N THR 162.A O no hydrogen 3.094 N/A ASN 166.A ND2 THR 162.A O no hydrogen 2.693 N/A ASP 167.A N VAL 164.A O no hydrogen 2.965 N/A GLN 168.A N TRP 163.A O no hydrogen 2.813 N/A GLN 168.A NE2 HIS 94.A O no hydrogen 3.183 N/A LYS 169.A N ASN 166.A O no hydrogen 3.301 N/A LEU 175.A N LEU 172.A O no hydrogen 2.909 N/A SER 176.A N VAL 173.A O no hydrogen 3.129 N/A SER 176.A OG VAL 173.A O no hydrogen 2.539 N/A VAL 179.A N LEU 175.A O no hydrogen 2.993 N/A LEU 180.A N SER 176.A O no hydrogen 2.957 N/A GLU 181.A N ASN 177.A O no hydrogen 2.915 N/A LEU 182.A N SER 178.A O no hydrogen 2.975 N/A LEU 183.A N VAL 179.A O no hydrogen 3.037 N/A VAL 184.A N LEU 180.A O no hydrogen 2.876 N/A SER 185.A N GLU 181.A O no hydrogen 2.886 N/A GLY 186.A N LEU 182.A O no hydrogen 2.761 N/A