Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5pae_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLN 134.A O no hydrogen 2.882 N/A ILE 1.A N ASP 185.A OD2 no hydrogen 2.740 N/A VAL 2.A N ASP 180.A O no hydrogen 2.797 N/A LYS 5.A N VAL 147.A O no hydrogen 3.012 N/A CYS 7.A N LEU 145.A O no hydrogen 2.835 N/A CYS 7.A SG PRO 8.A O no hydrogen 3.784 N/A LYS 9.A NZ ASP 65.A OD1 no hydrogen 3.524 N/A LYS 9.A NZ ASP 65.A OD2 no hydrogen 2.744 N/A LYS 9.A NZ ASP 67.A OD2 no hydrogen 2.746 N/A GLU 11.A N PRO 8.A O no hydrogen 2.818 N/A CYS 12.A SG.B SER 130.A OG no hydrogen 3.374 N/A GLN 15.A N CYS 12.A O no hydrogen 3.075 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.025 N/A VAL 16.A N GLY 28.A O no hydrogen 2.896 N/A LEU 17.A N VAL 55.A O no hydrogen 3.015 N/A LEU 18.A N CYS 26.A O no hydrogen 2.849 N/A LEU 19.A N ILE 53.A O no hydrogen 2.830 N/A VAL 20.A N ALA 23.A O no hydrogen 2.858 N/A ASN 21.A N ASN 51.A O no hydrogen 3.444 N/A ALA 23.A N VAL 20.A O no hydrogen 2.970 N/A GLN 24.A NE2 TRP 132.A O no hydrogen 2.954 N/A GLN 24.A NE2 GLY 184.A O no hydrogen 3.474 N/A LEU 25.A N LEU 18.A O no hydrogen 2.832 N/A CYS 26.A SG LEU 25.A O no hydrogen 2.945 N/A GLY 27.A N SER 186.A O no hydrogen 2.788 N/A GLY 28.A N VAL 16.A O no hydrogen 3.021 N/A THR 29.A N VAL 37.A O no hydrogen 2.823 N/A LEU 30.A N TRP 14.A O no hydrogen 2.897 N/A ILE 31.A N TRP 35.A O no hydrogen 2.956 N/A THR 33.A N ASN 32.A OD1.A no hydrogen 2.766 N/A ILE 34.A N ASN 32.A OD1.B no hydrogen 3.035 N/A TRP 35.A N ASN 32.A O no hydrogen 3.429 N/A VAL 36.A N LEU 94.A O no hydrogen 2.921 N/A VAL 37.A N THR 29.A O no hydrogen 2.831 N/A SER 38.A N ALA 92.A O no hydrogen 2.854 N/A SER 38.A OG GLY 27.A O no hydrogen 2.815 N/A ALA 39.A N SER 38.A OG no hydrogen 2.763 N/A HIS 41.A N ASP 90.A OD1 no hydrogen 2.857 N/A HIS 41.A ND1 ASP 90.A OD2 no hydrogen 2.673 N/A CYS 42.A N ALA 39.A O no hydrogen 3.187 N/A CYS 42.A SG SER 186.A O no hydrogen 3.875 N/A PHE 43.A N ALA 40.A O no hydrogen 3.011 N/A ASP 44.A N HIS 41.A O no hydrogen 3.235 N/A ARG 50.A N ASN 48.A OD1 no hydrogen 3.000 N/A ASN 51.A N ASN 48.A O no hydrogen 3.212 N/A ILE 53.A N LEU 19.A O no hydrogen 2.936 N/A ALA 54.A N ARG 71.A O no hydrogen 2.881 N/A VAL 55.A N LEU 17.A O no hydrogen 2.814 N/A LEU 56.A N GLN 69.A O no hydrogen 2.819 N/A HIS 59.A N GLU 58.A OE1 no hydrogen 2.863 N/A HIS 59.A NE2 GLU 144.A OE2 no hydrogen 2.969 N/A LEU 61.A N LEU 143.A O no hydrogen 2.765 N/A SER 62.A N ASP 60.A OD1 no hydrogen 2.872 N/A SER 62.A OG ASP 60.A OD1 no hydrogen 2.710 N/A SER 62.A OG ASP 60.A OD2 no hydrogen 3.519 N/A GLU 63.A N ASP 60.A O no hydrogen 3.285 N/A ASP 65.A N GLU 68.A OE2 no hydrogen 2.897 N/A GLY 66.A N GLU 68.A OE1 no hydrogen 2.806 N/A ASP 67.A N ASP 65.A OD1 no hydrogen 3.104 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.844 N/A GLN 69.A N LEU 56.A O no hydrogen 2.818 N/A GLN 69.A NE2 VAL 101.A O no hydrogen 2.834 N/A ARG 71.A N ALA 54.A O no hydrogen 2.857 N/A ARG 71.A NE GLN 98.A O no hydrogen 3.316 N/A ARG 71.A NE PRO 99.A O no hydrogen 2.971 N/A ARG 71.A NH1 SER 70.A O no hydrogen 2.864 N/A ARG 71.A NH2 PRO 99.A O no hydrogen 3.026 N/A ARG 72.A N HIS 97.A ND1.B no hydrogen 2.885 N/A VAL 73.A N LEU 52.A O no hydrogen 3.149 N/A ALA 74.A N ARG 95.A O no hydrogen 2.803 N/A GLN 75.A N ARG 95.A O no hydrogen 3.307 N/A GLN 75.A NE2 ARG 237.A O no hydrogen 2.989 N/A GLN 75.A NE2 VAL 240.A O no hydrogen 3.119 N/A VAL 76.A N VAL 240.A O no hydrogen 2.889 N/A ILE 77.A N LEU 93.A O no hydrogen 2.798 N/A ILE 78.A N.A LEU 242.A O no hydrogen 2.950 N/A ILE 78.A N.B LEU 242.A O no hydrogen 2.985 N/A SER 80.A N ALA 244.A O no hydrogen 2.861 N/A TYR 82.A N PRO 79.A O no hydrogen 3.092 N/A TYR 82.A OH ASP 44.A OD1 no hydrogen 2.773 N/A TYR 82.A OH ASP 44.A OD2 no hydrogen 3.112 N/A GLY 85.A N ASP 44.A OD2 no hydrogen 2.925 N/A GLY 85.A N TYR 82.A OH no hydrogen 3.366 N/A THR 86.A N VAL 83.A O no hydrogen 3.166 N/A THR 86.A OG1 VAL 83.A O no hydrogen 2.629 N/A HIS 89.A ND1 TYR 224.A OH no hydrogen 2.717 N/A ILE 91.A N HIS 89.A O no hydrogen 2.915 N/A ALA 92.A N SER 38.A O no hydrogen 2.900 N/A LEU 93.A N ILE 77.A O no hydrogen 2.880 N/A LEU 94.A N VAL 36.A O no hydrogen 2.738 N/A ARG 95.A N GLN 75.A O no hydrogen 2.950 N/A LEU 96.A N ILE 34.A O no hydrogen 2.829 N/A HIS 97.A N ARG 72.A O no hydrogen 2.851 N/A VAL 100.A N THR 33.A O no hydrogen 2.889 N/A VAL 101.A N GLN 69.A OE1 no hydrogen 2.873 N/A THR 103.A N VAL 106.A O no hydrogen 2.975 N/A HIS 105.A N THR 103.A OG1 no hydrogen 3.014 N/A VAL 106.A N THR 103.A O no hydrogen 3.138 N/A VAL 107.A N PRO 13.A O no hydrogen 3.168 N/A LEU 109.A N LEU 30.A O no hydrogen 2.842 N/A CYS 110.A N TRP 198.A O no hydrogen 3.447 N/A CYS 110.A SG TRP 198.A O no hydrogen 3.684 N/A ARG 114.A NE.A GLU 226.A OE2 no hydrogen 3.114 N/A ARG 114.A NE.B GLU 118.A OE2 no hydrogen 2.740 N/A ARG 114.A NH2.B GLU 118.A OE2 no hydrogen 3.324 N/A SER 117.A N GLU 113.A O no hydrogen 2.959 N/A GLU 118.A N ARG 114.A O no hydrogen 2.920 N/A ARG 119.A N THR 115.A O no hydrogen 2.832 N/A THR 120.A N PHE 116.A O no hydrogen 2.898 N/A LEU 121.A N PHE 116.A O no hydrogen 3.082 N/A ALA 122.A N SER 117.A O no hydrogen 2.884 N/A PHE 123.A N THR 120.A O no hydrogen 3.098 N/A VAL 124.A N LEU 121.A O no hydrogen 3.098 N/A SER 127.A N VAL 150.A O no hydrogen 2.980 N/A SER 127.A OG THR 192.A OG1 no hydrogen 2.552 N/A LEU 128.A N ALA 191.A O no hydrogen 2.911 N/A VAL 129.A N LEU 148.A O no hydrogen 2.934 N/A SER 130.A OG GLN 15.A OE1 no hydrogen 2.666 N/A GLY 131.A N MET 146.A O no hydrogen 2.951 N/A TRP 132.A NE1 HIS 59.A O no hydrogen 3.021 N/A GLY 133.A N ASP 185.A OD1 no hydrogen 2.775 N/A GLN 134.A N LYS 183.A O no hydrogen 2.857 N/A GLN 134.A NE2 LEU 136.A O no hydrogen 3.221 N/A LEU 135.A N ALA 140.A O no hydrogen 3.129 N/A GLY 139.A N LEU 136.A O no hydrogen 2.972 N/A ALA 142.A N TRP 132.A O no hydrogen 3.324 N/A ALA 142.A N GLY 133.A O no hydrogen 3.149 N/A LEU 145.A N HIS 59.A O no hydrogen 3.059 N/A MET 146.A N GLY 131.A O no hydrogen 3.115 N/A VAL 147.A N LYS 5.A O no hydrogen 2.785 N/A LEU 148.A N VAL 129.A O no hydrogen 2.812 N/A ASN 149.A ND2 SER 127.A O no hydrogen 3.134 N/A VAL 150.A N SER 127.A O no hydrogen 2.849 N/A ARG 152.A N ARG 125.A O no hydrogen 2.865 N/A LEU 153.A N CYS 171.A O no hydrogen 3.014 N/A CYS 158.A N MET 154.A O no hydrogen 2.913 N/A LEU 159.A N THR 155.A O no hydrogen 3.043 N/A GLN 160.A N GLN 156.A O no hydrogen 3.238 N/A GLN 161.A N ASP 157.A O no hydrogen 2.859 N/A SER 162.A OG CYS 158.A O no hydrogen 2.690 N/A ARG 163.A N GLY 213.A O no hydrogen 2.851 N/A TYR 168.A N THR 166.A OG1 no hydrogen 3.030 N/A MET 169.A N THR 166.A O no hydrogen 3.070 N/A PHE 170.A N TYR 218.A O no hydrogen 2.870 N/A ALA 172.A N GLY 216.A O no hydrogen 2.982 N/A GLY 173.A N PRO 151.A O no hydrogen 2.898 N/A SER 178.A N ASP 176.A OD1 no hydrogen 3.157 N/A SER 178.A OG ASP 176.A OD1 no hydrogen 2.676 N/A SER 178.A OG ASP 176.A OD2 no hydrogen 3.408 N/A LYS 179.A NZ SER 178.A OG no hydrogen 2.766 N/A ASP 180.A N VAL 2.A O no hydrogen 3.021 N/A SER 181.A N ASP 180.A OD1 no hydrogen 2.830 N/A SER 181.A OG TYR 218.A OH no hydrogen 2.924 N/A CYS 182.A N ASP 185.A OD2 no hydrogen 2.864 N/A CYS 182.A SG.B SER 181.A O no hydrogen 2.690 N/A ASP 185.A N CYS 182.A O no hydrogen 2.860 N/A SER 186.A OG SER 205.A O no hydrogen 2.612 N/A GLY 187.A N VAL 204.A O no hydrogen 2.879 N/A GLY 188.A N ASP 185.A O no hydrogen 3.103 N/A HIS 190.A N GLY 202.A O no hydrogen 2.962 N/A HIS 190.A ND1 THR 201.A OG1 no hydrogen 2.764 N/A ALA 191.A N LEU 128.A O no hydrogen 2.855 N/A THR 192.A N TYR 199.A O no hydrogen 2.876 N/A THR 192.A OG1 SER 127.A OG no hydrogen 2.552 N/A THR 192.A OG1 THR 201.A OG1 no hydrogen 2.647 N/A TYR 194.A N THR 197.A O no hydrogen 2.873 N/A ARG 195.A NE TYR 194.A OH no hydrogen 2.765 N/A ARG 195.A NH2 TYR 194.A OH no hydrogen 2.732 N/A THR 197.A N TYR 194.A O no hydrogen 3.226 N/A TYR 199.A N THR 192.A O no hydrogen 2.891 N/A LEU 200.A N CYS 110.A O no hydrogen 2.920 N/A THR 201.A N HIS 190.A O no hydrogen 3.007 N/A THR 201.A OG1 HIS 190.A ND1 no hydrogen 2.764 N/A THR 201.A OG1 HIS 190.A O no hydrogen 3.065 N/A THR 201.A OG1 THR 192.A OG1 no hydrogen 2.647 N/A GLY 202.A N HIS 190.A O no hydrogen 3.087 N/A ILE 203.A N THR 219.A O no hydrogen 3.228 N/A VAL 204.A N GLY 188.A O no hydrogen 3.035 N/A SER 205.A N VAL 217.A O no hydrogen 3.265 N/A SER 205.A OG ASP 90.A OD2 no hydrogen 2.666 N/A TRP 206.A NE1 THR 86.A O no hydrogen 2.992 N/A ALA 210.A N ASP 180.A OD2 no hydrogen 2.894 N/A GLY 213.A N SER 175.A O no hydrogen 2.743 N/A HIS 214.A N THR 211.A O no hydrogen 3.115 N/A TYR 218.A N PHE 170.A O no hydrogen 2.871 N/A TYR 218.A OH SER 181.A OG no hydrogen 2.924 N/A THR 219.A N ILE 203.A O no hydrogen 2.934 N/A THR 219.A OG1 ASP 90.A O no hydrogen 2.721 N/A ARG 220.A N TYR 168.A O no hydrogen 2.851 N/A ARG 220.A NE MET 169.A O no hydrogen 2.990 N/A ARG 220.A NH2 MET 169.A O no hydrogen 2.846 N/A VAL 221.A N THR 201.A O no hydrogen 3.245 N/A GLN 223.A N ARG 220.A O no hydrogen 3.112 N/A TYR 224.A N VAL 221.A O no hydrogen 2.850 N/A TYR 224.A OH HIS 89.A ND1 no hydrogen 2.717 N/A LEU 228.A N TYR 224.A O no hydrogen 2.858 N/A GLN 229.A N ILE 225.A O no hydrogen 2.873 N/A LYS 230.A N GLU 226.A O no hydrogen 2.989 N/A LEU 231.A N TRP 227.A O no hydrogen 3.155 N/A MET 232.A N LEU 228.A O no hydrogen 2.954 N/A ARG 233.A N LYS 230.A O no hydrogen 3.143 N/A SER 234.A N LEU 231.A O no hydrogen 3.012 N/A SER 234.A OG LEU 231.A O no hydrogen 2.680 N/A ARG 237.A N GLN 75.A OE1 no hydrogen 3.027 N/A LEU 242.A N VAL 76.A O no hydrogen 2.875 N/A ARG 243.A NH2 SER 80.A O no hydrogen 2.998 N/A ALA 244.A N ILE 78.A O.A no hydrogen 3.031 N/A ALA 244.A N ILE 78.A O.B no hydrogen 2.982 N/A PHE 246.A N SER 80.A OG no hydrogen 3.043 N/A