Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5s3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH GLU 22.A OE1 no hydrogen 2.701 N/A LEU 6.A N ILE 14.A O no hydrogen 2.795 N/A LYS 7.A NZ THR 9.A O no hydrogen 2.964 N/A LYS 7.A NZ ASP 10.A O no hydrogen 2.900 N/A LYS 7.A NZ TYR 13.A OH no hydrogen 2.694 N/A LEU 8.A N VAL 12.A O no hydrogen 2.816 N/A THR 9.A N VAL 12.A O no hydrogen 3.197 N/A THR 9.A OG1 ASN 11.A OD1 no hydrogen 3.375 N/A ASN 11.A N THR 9.A OG1 no hydrogen 3.286 N/A ASN 11.A ND2 VAL 143.A O no hydrogen 2.788 N/A ASN 11.A ND2 THR 145.A O no hydrogen 2.807 N/A VAL 12.A N THR 9.A OG1 no hydrogen 3.076 N/A TYR 13.A N VAL 147.A O.A no hydrogen 2.921 N/A TYR 13.A N VAL 147.A O.B no hydrogen 2.912 N/A ILE 14.A N LEU 6.A O no hydrogen 2.839 N/A LYS 15.A N LEU 149.A O no hydrogen 2.898 N/A LYS 15.A NZ SER 3.A O no hydrogen 2.898 N/A LYS 15.A NZ GLU 22.A OE1 no hydrogen 3.524 N/A LYS 15.A NZ GLU 22.A OE2 no hydrogen 2.975 N/A ALA 17.A N VAL 151.A O no hydrogen 2.998 N/A VAL 20.A N ASP 18.A OD1 no hydrogen 2.861 N/A GLU 21.A N ASP 18.A OD1 no hydrogen 3.472 N/A GLU 22.A N ASP 18.A O no hydrogen 2.824 N/A ALA 23.A N ILE 19.A O no hydrogen 2.834 N/A LYS 24.A N VAL 20.A O no hydrogen 2.954 N/A LYS 25.A N GLU 21.A O no hydrogen 3.016 N/A VAL 26.A N GLU 22.A O no hydrogen 2.852 N/A LYS 27.A N ALA 23.A O no hydrogen 2.703 N/A VAL 31.A N HIS 87.A O no hydrogen 3.013 N/A VAL 32.A N LEU 119.A O no hydrogen 2.835 N/A ASN 33.A N LEU 89.A O no hydrogen 2.898 N/A ASN 33.A ND2 HIS 90.A ND1 no hydrogen 2.942 N/A ALA 35.A N VAL 91.A O no hydrogen 3.007 N/A ASN 36.A ND2 LYS 40.A O no hydrogen 2.855 N/A TYR 38.A N ASN 36.A OD1 no hydrogen 3.150 N/A LEU 39.A N ASN 36.A O no hydrogen 2.946 N/A LYS 40.A N ASN 36.A OD1 no hydrogen 2.978 N/A LYS 40.A NZ ASP 62.A OD1 no hydrogen 2.733 N/A HIS 41.A N GLN 58.A OE1 no hydrogen 2.833 N/A HIS 41.A NE2 SER 61.A OG no hydrogen 2.829 N/A GLY 42.A N LYS 40.A O no hydrogen 3.042 N/A GLY 47.A N GLY 43.A O no hydrogen 2.908 N/A ALA 48.A N GLY 44.A O no hydrogen 3.124 N/A LEU 49.A N VAL 45.A O no hydrogen 2.830 N/A ASN 50.A N ALA 46.A O no hydrogen 2.858 N/A ASN 50.A ND2 ASN 55.A OD1 no hydrogen 2.865 N/A LYS 51.A N GLY 47.A O no hydrogen 2.959 N/A ALA 52.A N ALA 48.A O no hydrogen 3.060 N/A THR 53.A N LEU 49.A O no hydrogen 3.193 N/A THR 53.A N ASN 50.A O no hydrogen 2.972 N/A THR 53.A OG1 ASN 50.A O no hydrogen 2.761 N/A ASN 54.A N LYS 51.A O no hydrogen 2.934 N/A ASN 55.A N ASN 50.A O no hydrogen 3.131 N/A ALA 56.A N THR 53.A O no hydrogen 3.056 N/A MET 57.A N THR 53.A OG1 no hydrogen 2.932 N/A GLN 58.A N ASN 50.A OD1 no hydrogen 2.819 N/A GLN 58.A NE2 LEU 39.A O no hydrogen 2.806 N/A GLN 58.A NE2 GLN 58.A O no hydrogen 3.356 N/A GLN 58.A NE2 ASP 62.A OD1 no hydrogen 2.894 N/A VAL 59.A N ASN 55.A O no hydrogen 3.070 N/A GLU 60.A N ALA 56.A O no hydrogen 2.980 N/A SER 61.A N MET 57.A O no hydrogen 2.866 N/A SER 61.A OG HIS 41.A NE2 no hydrogen 2.829 N/A SER 61.A OG MET 57.A O no hydrogen 2.745 N/A ASP 62.A N GLN 58.A O no hydrogen 2.829 N/A ASP 63.A N VAL 59.A O no hydrogen 3.212 N/A TYR 64.A N GLU 60.A O no hydrogen 2.962 N/A ILE 65.A N SER 61.A O no hydrogen 2.896 N/A ALA 66.A N ASP 62.A O no hydrogen 2.901 N/A THR 67.A N ASP 63.A O no hydrogen 3.060 N/A THR 67.A OG1 ASP 63.A O no hydrogen 3.217 N/A ASN 68.A N TYR 64.A O no hydrogen 2.806 N/A ASN 68.A ND2 TYR 64.A O no hydrogen 3.053 N/A GLY 69.A N ILE 65.A O no hydrogen 2.782 N/A LEU 71.A N.A VAL 37.A O no hydrogen 2.912 N/A LEU 71.A N.B VAL 37.A O no hydrogen 2.909 N/A GLY 74.A N VAL 92.A O no hydrogen 2.723 N/A GLY 75.A N LYS 72.A O no hydrogen 2.878 N/A SER 76.A OG ASN 111.A OD1 no hydrogen 2.745 N/A CYS 77.A N HIS 90.A O no hydrogen 3.028 N/A LEU 79.A N CYS 88.A O no hydrogen 2.892 N/A SER 80.A N GLU 60.A OE2 no hydrogen 2.823 N/A GLY 81.A N LYS 86.A O no hydrogen 2.963 N/A HIS 82.A N SER 80.A OG no hydrogen 2.915 N/A HIS 82.A NE2 GLU 60.A OE1 no hydrogen 2.745 N/A ASN 83.A ND2 ALA 52.A O no hydrogen 2.910 N/A LEU 84.A N GLY 81.A O no hydrogen 2.850 N/A ALA 85.A N GLY 81.A O no hydrogen 3.178 N/A LYS 86.A N PRO 28.A O no hydrogen 3.074 N/A HIS 87.A N THR 29.A O no hydrogen 2.834 N/A CYS 88.A N LEU 79.A O no hydrogen 2.831 N/A CYS 88.A SG VAL 31.A O no hydrogen 3.560 N/A LEU 89.A N VAL 31.A O no hydrogen 2.886 N/A HIS 90.A N CYS 77.A O no hydrogen 2.864 N/A VAL 91.A N ASN 33.A O no hydrogen 3.005 N/A VAL 92.A N GLY 75.A O no hydrogen 2.934 N/A ASN 95.A N GLU 100.A OE1 no hydrogen 2.760 N/A VAL 96.A N PHE 128.A O no hydrogen 2.827 N/A ASN 97.A ND2 ILE 127.A O no hydrogen 2.835 N/A LYS 98.A N ASN 95.A O no hydrogen 3.005 N/A GLY 99.A N VAL 96.A O no hydrogen 2.924 N/A GLU 100.A N ASN 95.A O no hydrogen 3.104 N/A GLN 103.A N ASP 101.A OD1 no hydrogen 3.029 N/A LEU 104.A N ASP 101.A O no hydrogen 2.923 N/A LEU 105.A N ILE 102.A O no hydrogen 2.961 N/A LYS 106.A NZ THR 142.A OG1 no hydrogen 2.834 N/A ALA 108.A N LEU 104.A O no hydrogen 2.987 N/A TYR 109.A N LEU 105.A O no hydrogen 2.979 N/A TYR 109.A OH SER 135.A O no hydrogen 3.327 N/A TYR 109.A OH SER 135.A OG no hydrogen 2.661 N/A GLU 110.A N LYS 106.A O no hydrogen 2.954 N/A ASN 111.A N ALA 108.A O no hydrogen 3.197 N/A ASN 111.A ND2 GLY 74.A O no hydrogen 2.871 N/A ASN 111.A ND2 ALA 108.A O no hydrogen 2.852 N/A PHE 112.A N TYR 109.A O no hydrogen 2.884 N/A ASN 113.A N GLU 110.A O no hydrogen 3.007 N/A ASN 113.A ND2 THR 142.A O no hydrogen 3.080 N/A GLN 114.A N ASN 111.A O no hydrogen 3.237 N/A HIS 115.A N PHE 112.A O no hydrogen 3.088 N/A LEU 118.A N ASN 146.A O no hydrogen 2.892 N/A LEU 119.A N VAL 30.A O no hydrogen 2.969 N/A ALA 120.A N TYR 148.A O no hydrogen 2.853 N/A LEU 123.A N TYR 109.A OH no hydrogen 2.958 N/A SER 124.A OG PRO 94.A O no hydrogen 2.721 N/A ALA 125.A N LEU 122.A O no hydrogen 3.311 N/A PHE 128.A N ALA 125.A O no hydrogen 3.099 N/A GLY 129.A N GLY 126.A O no hydrogen 2.964 N/A ALA 130.A N SER 124.A O no hydrogen 2.850 N/A ILE 133.A N ASP 131.A OD1 no hydrogen 2.936 N/A SER 135.A N ASP 131.A O no hydrogen 2.987 N/A SER 135.A OG TYR 109.A OH no hydrogen 2.661 N/A SER 135.A OG LEU 123.A O no hydrogen 2.549 N/A LEU 136.A N PRO 132.A O no hydrogen 2.905 N/A ARG 137.A N ILE 133.A O no hydrogen 3.109 N/A ARG 137.A NE ASP 141.A OD2 no hydrogen 3.022 N/A ARG 137.A NH1 ASP 141.A OD1 no hydrogen 3.006 N/A ARG 137.A NH2 LEU 165.A OXT no hydrogen 3.393 N/A VAL 138.A N HIS 134.A O no hydrogen 2.904 N/A CYS 139.A N SER 135.A O no hydrogen 2.862 N/A VAL 140.A N LEU 136.A O no hydrogen 2.921 N/A ASP 141.A N ARG 137.A O no hydrogen 2.958 N/A THR 142.A N CYS 139.A O no hydrogen 3.145 N/A THR 142.A OG1 VAL 138.A O no hydrogen 2.699 N/A VAL 143.A N CYS 139.A O no hydrogen 2.878 N/A ARG 144.A N ASN 113.A OD1 no hydrogen 2.736 N/A THR 145.A OG1 PHE 112.A O no hydrogen 2.997 N/A THR 145.A OG1 HIS 115.A O no hydrogen 3.020 N/A ASN 146.A N GLU 116.A O.A no hydrogen 2.980 N/A ASN 146.A N GLU 116.A O.B no hydrogen 2.966 N/A VAL 147.A N.A ASN 11.A O no hydrogen 2.955 N/A VAL 147.A N.B ASN 11.A O no hydrogen 2.931 N/A TYR 148.A N LEU 118.A O no hydrogen 2.877 N/A LEU 149.A N TYR 13.A O no hydrogen 2.844 N/A ALA 150.A N ALA 120.A O no hydrogen 2.928 N/A VAL 151.A N LYS 15.A O no hydrogen 2.866 N/A LYS 154.A NZ ASP 158.A OD2 no hydrogen 3.334 N/A LEU 156.A N ASP 153.A OD2 no hydrogen 2.844 N/A TYR 157.A N ASP 153.A O no hydrogen 2.861 N/A ASP 158.A N LYS 154.A O no hydrogen 2.882 N/A LYS 159.A N ASN 155.A O no hydrogen 3.070 N/A LEU 160.A N LEU 156.A O no hydrogen 2.817 N/A VAL 161.A N TYR 157.A O no hydrogen 2.904 N/A SER 162.A N.A ASP 158.A O no hydrogen 2.922 N/A SER 162.A N.B ASP 158.A O no hydrogen 2.918 N/A SER 162.A OG.A ASP 158.A O no hydrogen 3.025 N/A SER 162.A OG.A LYS 159.A O no hydrogen 3.332 N/A SER 162.A OG.B ASP 158.A O no hydrogen 3.148 N/A SER 163.A N LYS 159.A O no hydrogen 3.020 N/A SER 163.A OG LYS 159.A O no hydrogen 2.624 N/A SER 163.A OG LEU 160.A O no hydrogen 3.549 N/A PHE 164.A N VAL 161.A O no hydrogen 3.202 N/A