Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4bu1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 29.A O no hydrogen 2.700 N/A LYS 5.A N LYS 2.A O no hydrogen 3.250 N/A PHE 7.A N LEU 4.A O no hydrogen 2.995 N/A VAL 8.A N THR 42.A OG1 no hydrogen 2.958 N/A ILE 9.A N ALA 32.A O no hydrogen 2.763 N/A CYS 10.A N HIS 43.A O no hydrogen 3.142 N/A CYS 10.A SG CYS 11.A O no hydrogen 3.910 N/A CYS 10.A SG ARG 34.A O no hydrogen 3.506 N/A CYS 10.A SG SER 35.A O no hydrogen 3.950 N/A THR 12.A N ILE 45.A O no hydrogen 2.777 N/A THR 12.A OG1 THR 51.A OG1 no hydrogen 2.714 N/A SER 13.A OG ASP 48.A OD2.B no hydrogen 2.605 N/A LYS 17.A NZ GLU 21.A OE2.B no hydrogen 2.806 N/A GLN 18.A N ASP 15.A OD1 no hydrogen 2.959 N/A GLN 18.A NE2 GLU 70.A OE2 no hydrogen 3.570 N/A ARG 19.A N ASP 15.A O no hydrogen 2.789 N/A ARG 19.A NE ILE 14.A O no hydrogen 3.455 N/A ARG 19.A NH2 ILE 14.A O no hydrogen 2.998 N/A THR 20.A N LEU 16.A O no hydrogen 3.063 N/A THR 20.A OG1 LEU 16.A O no hydrogen 2.730 N/A GLU 21.A N LYS 17.A O no hydrogen 3.053 N/A ILE 22.A N GLN 18.A O no hydrogen 2.884 N/A SER 23.A N ARG 19.A O no hydrogen 2.823 N/A SER 23.A OG THR 20.A O no hydrogen 2.700 N/A THR 24.A N THR 20.A O no hydrogen 3.088 N/A THR 24.A OG1 THR 20.A O no hydrogen 3.018 N/A LYS 25.A N GLU 21.A O no hydrogen 2.844 N/A LYS 25.A NZ GLU 21.A OE2.A no hydrogen 2.734 N/A ALA 26.A N ILE 22.A O no hydrogen 2.866 N/A THR 27.A N SER 23.A O no hydrogen 3.182 N/A THR 27.A OG1 SER 23.A O no hydrogen 2.653 N/A LYS 28.A N THR 24.A O no hydrogen 2.978 N/A LEU 29.A N LYS 25.A O no hydrogen 2.933 N/A GLY 30.A N THR 27.A O no hydrogen 2.952 N/A ALA 31.A N ALA 26.A O no hydrogen 2.950 N/A ALA 32.A N PHE 7.A O no hydrogen 2.850 N/A ARG 34.A N ILE 9.A O no hydrogen 2.722 N/A ARG 34.A NE ASP 40.A OD1 no hydrogen 3.278 N/A ARG 34.A NE ASP 40.A OD2 no hydrogen 3.076 N/A ARG 34.A NH1 TYR 33.A O no hydrogen 3.236 N/A ARG 34.A NH2 ASP 40.A OD2 no hydrogen 2.760 N/A THR 38.A N ASP 36.A O no hydrogen 2.954 N/A THR 38.A OG1 ASP 40.A OD1 no hydrogen 2.633 N/A VAL 41.A N THR 38.A O no hydrogen 3.152 N/A THR 42.A N VAL 8.A O no hydrogen 2.877 N/A THR 42.A OG1 VAL 8.A O no hydrogen 3.215 N/A THR 42.A OG1 HIS 43.A ND1 no hydrogen 2.830 N/A HIS 43.A N VAL 8.A O no hydrogen 3.026 N/A HIS 43.A ND1 THR 42.A OG1 no hydrogen 2.830 N/A LEU 44.A N LYS 65.A O no hydrogen 2.947 N/A ILE 45.A N CYS 10.A O no hydrogen 2.864 N/A ALA 46.A N MET 67.A O no hydrogen 2.984 N/A GLY 47.A N THR 12.A O no hydrogen 2.780 N/A THR 51.A OG1 THR 12.A OG1 no hydrogen 2.714 N/A LYS 53.A NZ CYS 11.A O no hydrogen 2.935 N/A LYS 53.A NZ SER 35.A O no hydrogen 2.907 N/A TYR 54.A N THR 51.A OG1 no hydrogen 3.104 N/A LYS 55.A N THR 51.A O no hydrogen 3.054 N/A LYS 55.A NZ ASP 50.A OD1 no hydrogen 2.984 N/A PHE 56.A N PRO 52.A O no hydrogen 2.976 N/A ALA 57.A N LYS 53.A O no hydrogen 3.142 N/A ALA 58.A N TYR 54.A O no hydrogen 3.014 N/A LYS 59.A N LYS 55.A O no hydrogen 3.139 N/A LYS 59.A NZ GLU 173.A OE2 no hydrogen 3.538 N/A LYS 59.A NZ TYR 176.A OH no hydrogen 2.672 N/A SER 60.A N PHE 56.A O no hydrogen 2.762 N/A ARG 61.A N ALA 57.A O no hydrogen 2.958 N/A ARG 61.A NE ASP 63.A OD1 no hydrogen 2.873 N/A ARG 61.A NE ASP 63.A OD2 no hydrogen 3.411 N/A ARG 61.A NH2 VAL 41.A O no hydrogen 2.822 N/A ARG 61.A NH2 ASP 63.A OD2 no hydrogen 2.731 N/A ILE 64.A N ARG 61.A O no hydrogen 3.264 N/A LYS 65.A N THR 42.A O no hydrogen 3.242 N/A MET 67.A N LEU 44.A O no hydrogen 2.833 N/A SER 68.A N HIS 91.A O no hydrogen 3.016 N/A GLU 70.A N SER 68.A OG no hydrogen 3.037 N/A TRP 71.A N SER 68.A O no hydrogen 3.251 N/A TRP 71.A NE1 LEU 86.A O no hydrogen 3.385 N/A VAL 74.A N GLU 70.A O no hydrogen 2.991 N/A LEU 75.A N TRP 71.A O no hydrogen 2.841 N/A TYR 76.A N ILE 72.A O no hydrogen 2.770 N/A GLU 77.A N PRO 73.A O no hydrogen 3.283 N/A SER 78.A N VAL 74.A O no hydrogen 2.865 N/A SER 78.A OG VAL 74.A O no hydrogen 3.105 N/A TRP 79.A N LEU 75.A O no hydrogen 2.876 N/A TRP 79.A NE1 SER 1.A OG no hydrogen 3.307 N/A VAL 80.A N TYR 76.A O no hydrogen 2.965 N/A GLN 81.A N GLU 77.A O no hydrogen 2.914 N/A GLN 81.A NE2 GLU 77.A OE2 no hydrogen 3.050 N/A GLY 82.A N TRP 79.A O no hydrogen 3.172 N/A GLU 83.A N SER 78.A O no hydrogen 2.963 N/A HIS 91.A N VAL 88.A O no hydrogen 2.941 N/A LEU 93.A N ILE 66.A O no hydrogen 2.769 N/A THR 95.A OG1 ASN 169.A OD1 no hydrogen 2.998 N/A LEU 96.A N HIS 121.A O no hydrogen 2.783 N/A PHE 97.A N PRO 94.A O no hydrogen 3.128 N/A LYS 98.A NZ GLY 47.A O no hydrogen 3.085 N/A LYS 98.A NZ ASP 48.A OD1.B no hydrogen 2.697 N/A LYS 98.A NZ ASP 48.A OD2.B no hydrogen 3.284 N/A CYS 99.A N LEU 96.A O no hydrogen 3.050 N/A CYS 99.A SG PHE 97.A O no hydrogen 3.942 N/A ARG 100.A N THR 134.A OG1 no hydrogen 2.823 N/A ARG 100.A NE ASP 132.A OD2 no hydrogen 3.017 N/A VAL 101.A N THR 124.A O no hydrogen 2.774 N/A CYS 102.A N HIS 135.A O no hydrogen 2.976 N/A CYS 102.A SG CYS 126.A O no hydrogen 3.228 N/A THR 104.A N ILE 137.A O no hydrogen 2.809 N/A ASN 105.A ND2 THR 140.A O no hydrogen 3.155 N/A ASN 105.A ND2 SER 142.A O no hydrogen 2.798 N/A ARG 111.A N GLY 107.A O no hydrogen 3.025 N/A ARG 111.A NE ILE 106.A O no hydrogen 2.852 N/A ARG 111.A NH2 ILE 106.A O no hydrogen 2.984 N/A SER 112.A N GLN 108.A OE1 no hydrogen 2.960 N/A SER 112.A OG GLN 108.A OE1 no hydrogen 2.937 N/A ARG 113.A N PRO 109.A O no hydrogen 3.022 N/A ARG 113.A NH1 GLU 110.A OE2 no hydrogen 2.530 N/A ILE 114.A N GLU 110.A O no hydrogen 2.801 N/A GLU 115.A N ARG 111.A O no hydrogen 3.163 N/A ASN 116.A N SER 112.A O no hydrogen 2.962 N/A TYR 117.A N ARG 113.A O no hydrogen 3.037 N/A VAL 118.A N ILE 114.A O no hydrogen 3.002 N/A LEU 119.A N GLU 115.A O no hydrogen 3.076 N/A LYS 120.A N ASN 116.A O no hydrogen 3.025 N/A HIS 121.A N TYR 117.A O no hydrogen 3.056 N/A GLY 122.A N LEU 119.A O no hydrogen 3.285 N/A GLY 123.A N VAL 118.A O no hydrogen 2.822 N/A THR 124.A N CYS 99.A O no hydrogen 2.946 N/A CYS 126.A N VAL 101.A O no hydrogen 2.674 N/A THR 130.A OG1 ASP 132.A OD1 no hydrogen 2.574 N/A THR 130.A OG1 ASP 132.A OD2 no hydrogen 3.207 N/A VAL 133.A N THR 130.A O no hydrogen 3.199 N/A THR 134.A N ARG 100.A O no hydrogen 2.881 N/A THR 134.A OG1 ARG 100.A O no hydrogen 3.307 N/A THR 134.A OG1 HIS 135.A ND1 no hydrogen 2.845 N/A HIS 135.A N ARG 100.A O no hydrogen 3.179 N/A HIS 135.A ND1 THR 134.A OG1 no hydrogen 2.845 N/A LEU 136.A N ASN 155.A O no hydrogen 2.770 N/A ILE 137.A N CYS 102.A O no hydrogen 2.931 N/A ALA 138.A N VAL 157.A O no hydrogen 2.984 N/A GLY 139.A N THR 104.A O no hydrogen 2.863 N/A THR 140.A OG1 SER 142.A OG no hydrogen 2.949 N/A SER 142.A OG THR 140.A OG1 no hydrogen 2.949 N/A LYS 145.A NZ LEU 103.A O no hydrogen 2.800 N/A LYS 145.A NZ PRO 127.A O no hydrogen 2.712 N/A GLU 147.A N GLY 143.A O no hydrogen 2.932 N/A TYR 148.A N ARG 144.A O no hydrogen 3.077 N/A ALA 149.A N LYS 145.A O no hydrogen 2.981 N/A LEU 150.A N TYR 146.A O no hydrogen 3.234 N/A LYS 151.A N GLU 147.A O no hydrogen 3.376 N/A TRP 152.A N TYR 148.A O no hydrogen 2.828 N/A LYS 153.A N LEU 150.A O no hydrogen 3.251 N/A ILE 154.A N ALA 149.A O no hydrogen 2.785 N/A VAL 157.A N LEU 136.A O no hydrogen 2.897 N/A CYS 158.A N PHE 177.A O no hydrogen 2.851 N/A CYS 158.A SG PHE 177.A O no hydrogen 3.745 N/A TRP 161.A N CYS 158.A O no hydrogen 3.112 N/A TRP 161.A NE1 LEU 172.A O no hydrogen 2.998 N/A LEU 162.A N VAL 159.A O no hydrogen 2.976 N/A TRP 163.A N VAL 159.A O no hydrogen 3.272 N/A GLN 164.A N GLU 160.A O no hydrogen 2.751 N/A GLN 164.A NE2 GLU 160.A OE1 no hydrogen 2.642 N/A SER 165.A N TRP 161.A O no hydrogen 2.967 N/A SER 165.A OG TRP 161.A O no hydrogen 2.654 N/A ILE 166.A N LEU 162.A O no hydrogen 3.035 N/A GLN 167.A N TRP 163.A O no hydrogen 3.115 N/A ARG 168.A N GLN 164.A O no hydrogen 2.995 N/A ARG 168.A NE ALA 58.A O no hydrogen 2.775 N/A ARG 168.A NH1 ARG 168.A O no hydrogen 2.765 N/A ARG 168.A NH2 ALA 58.A O no hydrogen 3.373 N/A ASN 169.A N ILE 166.A O no hydrogen 3.151 N/A ALA 170.A N SER 165.A O no hydrogen 3.074 N/A VAL 171.A N TYR 54.A OH no hydrogen 2.841 N/A LEU 172.A N SER 165.A OG no hydrogen 3.222 N/A GLN 175.A N GLN 175.A OE1 no hydrogen 2.886 N/A GLN 175.A NE2 GLU 173.A OE1 no hydrogen 2.973 N/A GLN 175.A NE2 TYR 176.A OH no hydrogen 3.544 N/A PHE 177.A N PRO 174.A O no hydrogen 2.925 N/A GLN 178.A NE2 VAL 156.A O no hydrogen 3.318 N/A GLN 178.A NE2 PRO 174.A O no hydrogen 2.679 N/A