Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pr3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 131.A O no hydrogen 3.462 N/A ILE 1.A N ARG 132.A O no hydrogen 2.870 N/A ILE 1.A N ASP 184.A OD1 no hydrogen 3.539 N/A ILE 1.A N ASP 184.A OD2 no hydrogen 2.692 N/A VAL 2.A N ASP 179.A O no hydrogen 2.701 N/A GLY 4.A N GLU 178.A OE2 no hydrogen 2.984 N/A GLN 5.A N MET 145.A O no hydrogen 2.897 N/A CYS 7.A N LEU 143.A O no hydrogen 2.837 N/A LYS 8.A N GLU 11.A OE1 no hydrogen 2.806 N/A LYS 8.A NZ GLU 6.A OE1 no hydrogen 2.824 N/A GLY 10.A N ASN 103.A OD1 no hydrogen 2.630 N/A GLU 11.A N LYS 8.A O no hydrogen 2.906 N/A GLN 15.A N CYS 12.A O no hydrogen 3.235 N/A ALA 16.A N GLY 29.A O no hydrogen 2.901 N/A LEU 17.A N ARG 53.A O no hydrogen 2.910 N/A LEU 18.A N CYS 27.A O no hydrogen 2.890 N/A ILE 19.A N LYS 51.A O no hydrogen 2.961 N/A ASN 20.A N GLU 24.A O no hydrogen 2.985 N/A GLU 22.A N ASN 20.A OD1 no hydrogen 2.841 N/A ASN 23.A N ASN 20.A O no hydrogen 2.869 N/A ASN 23.A ND2 ASN 20.A O no hydrogen 3.602 N/A GLU 24.A N ASN 20.A OD1 no hydrogen 2.985 N/A PHE 26.A N LEU 18.A O no hydrogen 3.037 N/A CYS 27.A SG PHE 26.A O no hydrogen 3.149 N/A GLY 28.A N SER 185.A O no hydrogen 2.716 N/A GLY 29.A N ALA 16.A O no hydrogen 3.011 N/A THR 30.A N LEU 38.A O no hydrogen 2.768 N/A ILE 31.A N TRP 14.A O no hydrogen 2.806 N/A LEU 32.A N TYR 36.A O no hydrogen 2.932 N/A SER 33.A N TYR 36.A O no hydrogen 3.430 N/A TYR 36.A N SER 33.A OG no hydrogen 3.179 N/A TYR 36.A OH MET 232.A O no hydrogen 3.008 N/A ILE 37.A N LEU 92.A O no hydrogen 2.929 N/A LEU 38.A N THR 30.A O no hydrogen 2.855 N/A THR 39.A N ALA 90.A O no hydrogen 2.893 N/A THR 39.A OG1 GLY 28.A O no hydrogen 2.841 N/A ALA 40.A N THR 39.A OG1 no hydrogen 2.768 N/A HIS 42.A N ASP 88.A OD1 no hydrogen 2.859 N/A HIS 42.A ND1 ASP 88.A OD2 no hydrogen 2.666 N/A CYS 43.A N ALA 40.A O no hydrogen 3.149 N/A CYS 43.A SG SER 185.A O no hydrogen 3.461 N/A LEU 44.A N ALA 41.A O no hydrogen 3.040 N/A GLN 46.A N CYS 43.A O no hydrogen 3.308 N/A LYS 51.A N ILE 19.A O no hydrogen 2.951 N/A VAL 52.A N HIS 69.A O no hydrogen 2.825 N/A ARG 53.A N LEU 17.A O no hydrogen 2.815 N/A ARG 53.A NH1 ASN 23.A O no hydrogen 3.293 N/A ARG 53.A NH2 ASP 56.A OD2 no hydrogen 2.915 N/A VAL 54.A N ALA 67.A O no hydrogen 2.866 N/A ARG 57.A N ASP 56.A OD1 no hydrogen 2.816 N/A ARG 57.A NE CYS 7.A O no hydrogen 3.446 N/A ARG 57.A NH1 CYS 7.A O no hydrogen 3.048 N/A ASN 58.A N ASP 56.A OD1 no hydrogen 3.149 N/A ASN 58.A ND2 THR 141.A O no hydrogen 3.527 N/A THR 59.A N THR 141.A O no hydrogen 2.914 N/A THR 59.A OG1 THR 141.A O no hydrogen 3.317 N/A GLU 63.A N GLU 66.A OE1 no hydrogen 2.733 N/A GLY 64.A N GLU 66.A OE2 no hydrogen 2.687 N/A GLU 66.A N GLU 66.A OE2 no hydrogen 2.699 N/A ALA 67.A N VAL 54.A O no hydrogen 2.990 N/A HIS 69.A N VAL 52.A O no hydrogen 2.732 N/A HIS 69.A ND1 THR 96.A O no hydrogen 3.073 N/A HIS 69.A ND1 THR 96.A OG1 no hydrogen 2.864 N/A GLU 72.A N ARG 93.A O no hydrogen 2.787 N/A VAL 73.A N ARG 93.A O no hydrogen 3.179 N/A ILE 75.A N VAL 91.A O no hydrogen 2.842 N/A LYS 76.A NZ LYS 76.A O no hydrogen 3.401 N/A HIS 77.A N ILE 89.A O no hydrogen 3.182 N/A ARG 79.A N HIS 77.A ND1 no hydrogen 2.983 N/A PHE 80.A N HIS 77.A O no hydrogen 3.229 N/A THR 84.A N THR 81.A O no hydrogen 3.196 N/A THR 84.A OG1 THR 81.A OG1 no hydrogen 2.714 N/A TYR 85.A N THR 81.A O no hydrogen 2.655 N/A ASP 86.A N THR 84.A OG1 no hydrogen 3.261 N/A PHE 87.A N ASP 86.A OD1 no hydrogen 2.899 N/A ILE 89.A N PHE 87.A O no hydrogen 2.903 N/A ALA 90.A N THR 39.A O no hydrogen 2.883 N/A VAL 91.A N ILE 75.A O no hydrogen 2.827 N/A LEU 92.A N ILE 37.A O no hydrogen 2.780 N/A ARG 93.A N VAL 73.A O no hydrogen 2.918 N/A ARG 93.A NE TYR 36.A OH no hydrogen 3.304 N/A ARG 93.A NH1 TYR 36.A OH no hydrogen 2.799 N/A LEU 94.A N PHE 35.A O no hydrogen 2.751 N/A LYS 95.A N GLU 70.A O no hydrogen 2.988 N/A LYS 95.A NZ GLU 70.A OE1 no hydrogen 3.338 N/A THR 96.A OG1 HIS 69.A ND1 no hydrogen 2.864 N/A ILE 98.A N GLU 34.A O no hydrogen 2.708 N/A ARG 101.A N VAL 104.A O no hydrogen 2.938 N/A ARG 101.A NE GLY 65.A O no hydrogen 3.282 N/A ASN 103.A ND2 ASP 9.A OD1 no hydrogen 2.913 N/A VAL 104.A N ARG 101.A O no hydrogen 2.835 N/A ALA 105.A N PRO 13.A O no hydrogen 2.987 N/A ALA 107.A N ILE 31.A O no hydrogen 2.994 N/A CYS 108.A N TYR 197.A O no hydrogen 3.125 N/A ARG 112.A NE ASP 113.A OD1 no hydrogen 3.304 N/A ARG 112.A NH1 ASP 113.A OD1 no hydrogen 3.230 N/A ARG 112.A NH1 ASP 113.A OD2 no hydrogen 3.557 N/A ALA 115.A N GLU 111.A O no hydrogen 2.912 N/A GLU 116.A N ARG 112.A O no hydrogen 3.008 N/A SER 117.A N ASP 113.A O no hydrogen 3.015 N/A SER 117.A OG ASP 113.A O no hydrogen 3.223 N/A MET 120.A N ALA 115.A O no hydrogen 2.974 N/A THR 121.A OG1 GLU 116.A O no hydrogen 3.394 N/A THR 121.A OG1 SER 117.A O no hydrogen 3.408 N/A GLN 122.A N LEU 119B.A O no hydrogen 3.031 N/A GLY 125.A N VAL 148.A O no hydrogen 2.944 N/A ILE 126.A N VAL 190.A O no hydrogen 2.659 N/A VAL 127.A N LEU 146.A O no hydrogen 2.930 N/A SER 128.A N PRO 188.A O no hydrogen 3.295 N/A GLY 129.A N LYS 144.A O no hydrogen 2.895 N/A GLY 131.A N ASP 184.A OD1 no hydrogen 2.773 N/A ARG 132.A N GLN 182.A O no hydrogen 2.972 N/A ARG 132.A NE GLY 137.A O no hydrogen 3.108 N/A ARG 132.A NH1 GLY 137.A O no hydrogen 3.373 N/A THR 133.A OG1 HIS 134.A ND1 no hydrogen 2.747 N/A HIS 134.A ND1 THR 133.A OG1 no hydrogen 2.747 N/A GLY 137.A N HIS 134.A O no hydrogen 2.866 N/A GLN 139.A NE2 PHE 130.A O no hydrogen 2.531 N/A SER 140.A N GLY 131.A O no hydrogen 3.167 N/A SER 140.A OG ARG 142.A O no hydrogen 2.711 N/A ARG 142.A N SER 140.A OG no hydrogen 3.281 N/A LEU 143.A N ARG 57.A O no hydrogen 2.873 N/A LYS 144.A N GLY 129.A O no hydrogen 3.055 N/A LYS 144.A NZ ILE 1.A O no hydrogen 2.837 N/A LYS 144.A NZ GLY 3.A O no hydrogen 2.732 N/A MET 145.A N GLN 5.A O no hydrogen 2.772 N/A LEU 146.A N VAL 127.A O no hydrogen 2.787 N/A VAL 148.A N GLY 125.A O no hydrogen 2.870 N/A TYR 150.A N LYS 123.A O no hydrogen 2.994 N/A TYR 150.A OH THR 191.A OG1 no hydrogen 2.607 N/A VAL 151.A N CYS 170.A O no hydrogen 3.017 N/A ARG 153.A NH1 MET 168.A O no hydrogen 2.629 N/A ARG 153.A NH2 THR 165.A O no hydrogen 3.246 N/A ARG 153.A NH2 MET 168.A O no hydrogen 3.288 N/A SER 155.A N ASP 152.A OD2 no hydrogen 2.876 N/A CYS 156.A N ASP 152.A O no hydrogen 3.108 N/A CYS 156.A SG ASP 152.A O no hydrogen 3.847 N/A CYS 156.A SG ARG 153.A O no hydrogen 3.705 N/A LYS 157.A N ARG 153.A O no hydrogen 3.085 N/A LYS 157.A N ASN 154.A O no hydrogen 3.289 N/A LEU 158.A N ASN 154.A O no hydrogen 3.290 N/A SER 159.A OG CYS 156.A O no hydrogen 2.801 N/A SER 160.A N CYS 156.A O no hydrogen 2.970 N/A SER 160.A OG PHE 162.A O no hydrogen 2.638 N/A SER 161.A N GLU 207.A OE2 no hydrogen 2.812 N/A SER 161.A OG GLU 207.A OE1 no hydrogen 2.726 N/A SER 161.A OG GLU 207.A OE2 no hydrogen 3.310 N/A PHE 162.A N SER 160.A OG no hydrogen 2.959 N/A THR 165.A OG1 ASP 86.A OD1 no hydrogen 2.796 N/A GLN 166.A N GLN 166.A OE1 no hydrogen 2.463 N/A ASN 167.A N THR 165.A OG1 no hydrogen 3.184 N/A ASN 167.A ND2 ASP 86.A OD1 no hydrogen 2.924 N/A MET 168.A N THR 165.A O no hydrogen 3.042 N/A PHE 169.A N TYR 218.A O no hydrogen 2.965 N/A ALA 171.A N GLY 216.A O no hydrogen 3.057 N/A GLY 172.A N PRO 149.A O no hydrogen 2.848 N/A LYS 176.A NZ GLU 178.A OE1 no hydrogen 2.776 N/A GLN 177.A NE2 ALA 210.A O no hydrogen 3.020 N/A GLN 177.A NE2 THR 175B.A O no hydrogen 3.075 N/A GLU 178.A N LYS 176.A O no hydrogen 2.936 N/A ASP 179.A N VAL 2.A O no hydrogen 3.055 N/A ALA 180.A N ASP 179.A OD1 no hydrogen 2.648 N/A CYS 181.A N ASP 184.A OD2 no hydrogen 2.921 N/A CYS 181.A SG HIS 134.A O no hydrogen 4.033 N/A ASP 184.A N CYS 181.A O no hydrogen 2.911 N/A GLY 186.A N VAL 203.A O no hydrogen 2.777 N/A GLY 187.A N ASP 184.A O no hydrogen 2.939 N/A HIS 189.A N GLY 201.A O no hydrogen 3.148 N/A HIS 189.A ND1 THR 200.A OG1 no hydrogen 2.751 N/A VAL 190.A N ILE 126.A O no hydrogen 2.835 N/A THR 191.A N PHE 198.A O no hydrogen 2.891 N/A THR 191.A OG1 TYR 150.A OH no hydrogen 2.607 N/A THR 191.A OG1 THR 200.A OG1 no hydrogen 2.873 N/A ARG 192.A NH1 ASP 195.A OD1 no hydrogen 2.663 N/A PHE 193.A N THR 196.A O no hydrogen 2.881 N/A THR 196.A N PHE 193.A O no hydrogen 3.060 N/A PHE 198.A N THR 191.A O no hydrogen 2.980 N/A VAL 199.A N CYS 108.A O no hydrogen 2.834 N/A THR 200.A N HIS 189.A O no hydrogen 2.874 N/A THR 200.A OG1 HIS 189.A ND1 no hydrogen 2.751 N/A THR 200.A OG1 HIS 189.A O no hydrogen 3.251 N/A THR 200.A OG1 THR 191.A OG1 no hydrogen 2.873 N/A GLY 201.A N HIS 189.A O no hydrogen 2.980 N/A ILE 202.A N THR 219.A O no hydrogen 3.136 N/A VAL 203.A N GLY 187.A O no hydrogen 3.047 N/A SER 204.A N ILE 217.A O no hydrogen 3.070 N/A SER 204.A OG ASP 88.A OD2 no hydrogen 2.648 N/A TRP 205.A N ILE 217.A O no hydrogen 2.993 N/A CYS 209.A N GLU 135.A OE1 no hydrogen 2.873 N/A CYS 209.A SG ALA 180.A O no hydrogen 3.921 N/A ALA 210.A N ASP 179.A OD2 no hydrogen 3.024 N/A LYS 214.A N ARG 211.A O no hydrogen 3.079 N/A LYS 214.A NZ SER 159.A O no hydrogen 2.684 N/A LYS 214.A NZ SER 161.A OG no hydrogen 3.012 N/A LYS 214.A NZ GLU 207.A OE1 no hydrogen 3.224 N/A LYS 214.A NZ GLU 207.A OE2 no hydrogen 2.954 N/A GLY 216.A N ALA 171.A O no hydrogen 3.021 N/A ILE 217.A N TRP 205.A O no hydrogen 2.703 N/A TYR 218.A N PHE 169.A O no hydrogen 2.903 N/A THR 219.A N ILE 202.A O no hydrogen 2.890 N/A THR 219.A OG1 ASP 88.A O no hydrogen 2.685 N/A LYS 220.A N ASN 167.A O no hydrogen 2.840 N/A LYS 220.A NZ GLU 116.A OE2 no hydrogen 3.382 N/A VAL 221.A N THR 200.A O no hydrogen 3.234 N/A THR 222.A OG1 GLU 116.A OE2 no hydrogen 3.274 N/A ALA 223.A N LYS 220.A O no hydrogen 3.026 N/A PHE 224.A N VAL 221.A O no hydrogen 2.837 N/A ILE 228.A N PHE 224.A O no hydrogen 2.778 N/A ASP 229.A N LEU 225.A O no hydrogen 2.984 N/A ARG 230.A N LYS 226.A O no hydrogen 2.994 N/A SER 231.A N TRP 227.A O no hydrogen 2.955 N/A SER 231.A OG TRP 227.A O no hydrogen 2.823 N/A MET 232.A N ILE 228.A O no hydrogen 2.957 N/A LYS 233.A N ARG 230.A O no hydrogen 3.323 N/A THR 234.A OG1 ARG 230.A O no hydrogen 2.996 N/A THR 118A.A N TRP 114.A O no hydrogen 2.720 N/A THR 118A.A OG1 TRP 114.A O no hydrogen 3.382 N/A GLY 213A.A N ASP 174A.A O no hydrogen 2.910 N/A LEU 119B.A N ALA 115.A O no hydrogen 2.857 N/A