Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5whe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N LEU 49.A O no hydrogen 2.877 N/A LYS 4.A N GLU 73.A OE1 no hydrogen 2.597 N/A LEU 5.A N ASP 51.A O no hydrogen 2.823 N/A VAL 6.A N GLY 74.A O no hydrogen 2.908 N/A VAL 7.A N LEU 53.A O no hydrogen 2.782 N/A VAL 8.A N LEU 76.A O no hydrogen 2.952 N/A VAL 13.A N ALA 10.A O no hydrogen 3.395 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.119 N/A LYS 15.A NZ ALA 10.A O no hydrogen 3.008 N/A SER 16.A OG ASP 54.A OD1 no hydrogen 3.491 N/A SER 16.A OG ASP 54.A OD2 no hydrogen 2.641 N/A LEU 18.A N GLY 14.A O no hydrogen 2.866 N/A THR 19.A N LYS 15.A O no hydrogen 3.172 N/A THR 19.A OG1 LYS 15.A O no hydrogen 3.061 N/A ILE 20.A N SER 16.A O no hydrogen 2.907 N/A GLN 21.A N ALA 17.A O no hydrogen 3.012 N/A GLN 21.A NE2 ALA 143.A O no hydrogen 3.311 N/A LEU 22.A N LEU 18.A O no hydrogen 2.934 N/A ILE 23.A N THR 19.A O no hydrogen 2.965 N/A GLN 24.A N ILE 20.A O no hydrogen 2.721 N/A ASN 25.A N GLN 21.A O no hydrogen 3.088 N/A HIS 26.A ND1 VAL 28.A O no hydrogen 2.761 N/A HIS 26.A NE2 GLN 24.A OE1 no hydrogen 3.092 N/A SER 36.A OG ARG 38.A O no hydrogen 3.255 N/A ARG 38.A N SER 36.A OG no hydrogen 3.345 N/A ARG 38.A NH1 GLU 2.A OE1 no hydrogen 2.134 N/A ARG 38.A NH1 ASP 51.A OD1 no hydrogen 2.907 N/A ARG 38.A NH2 GLU 2.A OE2 no hydrogen 3.283 N/A LYS 39.A N LEU 50.A O no hydrogen 2.815 N/A LYS 39.A NZ LEU 22.A O no hydrogen 3.103 N/A VAL 41.A N CYS 48.A O no hydrogen 2.900 N/A ILE 43.A N GLU 46.A O no hydrogen 2.949 N/A GLU 46.A N ILE 43.A O no hydrogen 3.190 N/A THR 47.A OG1 VAL 41.A O no hydrogen 3.548 N/A CYS 48.A N VAL 41.A O no hydrogen 2.621 N/A CYS 48.A SG GLU 46.A O no hydrogen 3.712 N/A LEU 49.A N THR 1.A O no hydrogen 3.041 N/A LEU 50.A N LYS 39.A O no hydrogen 2.733 N/A ASP 51.A N TYR 3.A O no hydrogen 2.981 N/A ILE 52.A N TYR 37.A O no hydrogen 2.824 N/A LEU 53.A N LEU 5.A O no hydrogen 2.762 N/A THR 55.A N VAL 7.A O no hydrogen 3.269 N/A THR 55.A OG1 VAL 7.A O no hydrogen 2.676 N/A ARG 65.A N SER 62.A OG no hydrogen 2.877 N/A ARG 65.A NH1 GLN 58.A O no hydrogen 2.983 N/A ASP 66.A N SER 62.A O no hydrogen 3.028 N/A GLN 67.A N ALA 63.A O no hydrogen 3.124 N/A TYR 68.A N MET 64.A O no hydrogen 2.936 N/A MET 69.A N ARG 65.A O no hydrogen 2.886 N/A ARG 70.A N ASP 66.A O no hydrogen 2.844 N/A ARG 70.A NE VAL 100.A O no hydrogen 2.910 N/A ARG 70.A NH1 GLN 67.A OE1 no hydrogen 3.165 N/A THR 71.A N GLN 67.A O no hydrogen 3.172 N/A THR 71.A N TYR 68.A O no hydrogen 3.281 N/A THR 71.A OG1 GLN 67.A O no hydrogen 2.878 N/A GLY 72.A N MET 69.A O no hydrogen 2.922 N/A GLU 73.A N LYS 4.A O no hydrogen 2.827 N/A GLY 74.A N LYS 4.A O no hydrogen 3.341 N/A PHE 75.A N PRO 107.A O no hydrogen 3.107 N/A LEU 76.A N VAL 6.A O no hydrogen 2.867 N/A CYS 77.A N VAL 109.A O no hydrogen 2.834 N/A VAL 78.A N VAL 8.A O no hydrogen 2.920 N/A PHE 79.A N VAL 111.A O no hydrogen 2.885 N/A ALA 80.A N SER 86.A OG no hydrogen 2.979 N/A ILE 81.A N ASN 113.A O no hydrogen 3.063 N/A ASN 83.A N ALA 80.A O no hydrogen 2.926 N/A THR 84.A OG1 THR 121.A OG1 no hydrogen 3.179 N/A LYS 85.A NZ ASP 89.A OD1 no hydrogen 3.492 N/A LYS 85.A NZ ASP 89.A OD2 no hydrogen 2.696 N/A SER 86.A N ASN 83.A OD1 no hydrogen 3.082 N/A SER 86.A OG ASN 83.A O no hydrogen 2.727 N/A PHE 87.A N ASN 83.A O no hydrogen 3.261 N/A GLU 88.A N THR 84.A O no hydrogen 2.955 N/A ASP 89.A N LYS 85.A O no hydrogen 2.869 N/A ILE 90.A N PHE 87.A O no hydrogen 3.140 N/A HIS 92.A NE2 GLU 59.A OE1 no hydrogen 2.989 N/A TYR 93.A N ASP 89.A O no hydrogen 3.140 N/A ARG 94.A N ILE 90.A O no hydrogen 2.935 N/A GLU 95.A N HIS 91.A O no hydrogen 2.989 N/A GLN 96.A N HIS 92.A O no hydrogen 2.904 N/A ILE 97.A N TYR 93.A O no hydrogen 3.004 N/A LYS 98.A N ARG 94.A O no hydrogen 2.994 N/A LYS 98.A NZ GLU 95.A OE2 no hydrogen 3.030 N/A LYS 98.A NZ GLU 104.A OE1 no hydrogen 2.931 N/A ARG 99.A N GLU 95.A O no hydrogen 2.858 N/A ARG 99.A NH1 ASP 66.A OD2 no hydrogen 2.860 N/A ARG 99.A NH2 ASP 66.A OD1 no hydrogen 3.099 N/A ARG 99.A NH2 ASP 66.A OD2 no hydrogen 3.505 N/A VAL 100.A N GLN 96.A O no hydrogen 3.037 N/A LYS 101.A N ILE 97.A O no hydrogen 2.901 N/A LYS 101.A NZ ARG 70.A O no hydrogen 3.061 N/A LYS 101.A NZ GLY 72.A O no hydrogen 2.827 N/A ASP 102.A N ARG 99.A O no hydrogen 3.225 N/A SER 103.A N LYS 98.A O no hydrogen 3.205 N/A ASP 105.A N SER 103.A OG no hydrogen 2.994 N/A VAL 109.A N PHE 75.A O no hydrogen 2.986 N/A LEU 110.A N PRO 137.A O no hydrogen 2.959 N/A VAL 111.A N CYS 77.A O no hydrogen 2.815 N/A GLY 112.A N ILE 139.A O no hydrogen 2.995 N/A ASN 113.A N PHE 79.A O no hydrogen 2.756 N/A ASN 113.A ND2 VAL 13.A O no hydrogen 2.976 N/A LYS 114.A NZ GLY 12.A O no hydrogen 3.000 N/A CYS 115.A N THR 141.A O no hydrogen 3.077 N/A CYS 115.A SG.A THR 141.A O no hydrogen 3.126 N/A CYS 115.A SG.B GLY 112.A O no hydrogen 3.220 N/A CYS 115.A SG.B GLU 140.A OE2 no hydrogen 3.172 N/A CYS 115.A SG.B THR 141.A O no hydrogen 3.739 N/A LEU 117.A N LYS 114.A O no hydrogen 3.137 N/A ARG 120.A NH1 VAL 122.A O no hydrogen 2.813 N/A ARG 120.A NH2 GLU 140.A OE2 no hydrogen 3.523 N/A THR 121.A N ILE 81.A O no hydrogen 2.920 N/A THR 121.A OG1 THR 84.A OG1 no hydrogen 3.179 N/A VAL 122.A N ILE 81.A O no hydrogen 2.998 N/A GLN 126.A N ASP 123.A OD2 no hydrogen 2.767 N/A GLN 128.A N THR 124.A O no hydrogen 2.952 N/A ASP 129.A N LYS 125.A O no hydrogen 2.961 N/A LEU 130.A N GLN 126.A O no hydrogen 2.984 N/A ALA 131.A N ALA 127.A O no hydrogen 2.919 N/A ARG 132.A N GLN 128.A O no hydrogen 3.048 N/A SER 133.A N ASP 129.A O no hydrogen 3.013 N/A SER 133.A OG LEU 130.A O no hydrogen 2.403 N/A TYR 134.A N LEU 130.A O no hydrogen 3.098 N/A TYR 134.A N ALA 131.A O no hydrogen 2.970 N/A GLY 135.A N ARG 132.A O no hydrogen 3.031 N/A ILE 136.A N ALA 131.A O no hydrogen 2.959 N/A ILE 139.A N LEU 110.A O no hydrogen 2.953 N/A THR 141.A N GLY 112.A O no hydrogen 2.922 N/A THR 141.A OG1 ASN 113.A OD1 no hydrogen 2.832 N/A SER 142.A N GLN 147.A O no hydrogen 2.904 N/A SER 142.A OG ASP 116.A OD1 no hydrogen 2.736 N/A SER 142.A OG THR 145.A OG1 no hydrogen 3.228 N/A ALA 143.A N ASN 113.A OD1 no hydrogen 3.282 N/A THR 145.A N SER 142.A OG no hydrogen 3.035 N/A THR 145.A OG1 SER 142.A OG no hydrogen 3.228 N/A ARG 146.A NH1 ASP 150.A OD1 no hydrogen 2.530 N/A ARG 146.A NH1 ASP 150.A OD2 no hydrogen 3.502 N/A ARG 146.A NH2 GLN 21.A O no hydrogen 2.598 N/A ARG 146.A NH2 GLN 21.A OE1 no hydrogen 3.139 N/A GLN 147.A N THR 145.A OG1 no hydrogen 3.311 N/A VAL 149.A N ARG 146.A O no hydrogen 3.175 N/A ALA 152.A N GLY 148.A O no hydrogen 2.879 N/A ALA 152.A N VAL 149.A O no hydrogen 3.150 N/A PHE 153.A N VAL 149.A O no hydrogen 3.385 N/A TYR 154.A N ASP 150.A O no hydrogen 2.888 N/A THR 155.A N ASP 151.A O no hydrogen 3.001 N/A THR 155.A OG1 ASP 151.A O no hydrogen 2.688 N/A THR 155.A OG1 ASP 151.A OD1 no hydrogen 3.027 N/A LEU 156.A N ALA 152.A O no hydrogen 3.189 N/A VAL 157.A N PHE 153.A O no hydrogen 3.064 N/A ARG 158.A N TYR 154.A O no hydrogen 2.989 N/A ARG 158.A NE ASP 44.A OD1 no hydrogen 3.261 N/A ARG 158.A NE ASP 44.A OD2 no hydrogen 2.989 N/A ARG 158.A NH2 ASP 44.A OD1 no hydrogen 3.312 N/A GLU 159.A N THR 155.A O no hydrogen 2.991 N/A ILE 160.A N LEU 156.A O no hydrogen 2.983 N/A ARG 161.A N VAL 157.A O no hydrogen 3.001 N/A ARG 161.A NE TYR 3.A OH no hydrogen 3.077 N/A ARG 161.A NH1 ILE 43.A O no hydrogen 2.782 N/A ARG 161.A NH2 ILE 43.A O no hydrogen 3.201 N/A ARG 161.A NH2 GLU 46.A O no hydrogen 3.235 N/A LYS 162.A N ARG 158.A O no hydrogen 3.339 N/A LYS 162.A NZ GLU 159.A OE2 no hydrogen 2.773 N/A HIS 163.A N ILE 160.A O no hydrogen 2.961 N/A HIS 163.A NE2 ASP 105.A O no hydrogen 2.926 N/A