Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pe1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N GLU 35.A O no hydrogen 3.404 N/A LEU 5.A N ASP 211.A O no hydrogen 3.129 N/A VAL 6.A N GLU 37.A O no hydrogen 3.006 N/A ILE 7.A N VAL 213.A O no hydrogen 2.788 N/A ALA 8.A N VAL 39.A O no hydrogen 2.947 N/A GLY 9.A N MET 215.A O no hydrogen 3.415 N/A CYS 11.A N GLN 231.A OE1 no hydrogen 2.874 N/A CYS 11.A SG GLU 216.A OE2 no hydrogen 3.421 N/A CYS 11.A SG SER 226.A OG no hydrogen 3.076 N/A CYS 11.A SG ASP 227.A OD2 no hydrogen 3.782 N/A ILE 13.A N SER 43.A O no hydrogen 3.097 N/A GLU 14.A N ALA 12.A O no hydrogen 2.778 N/A GLU 16.A N TYR 62.A OH no hydrogen 3.018 N/A LEU 18.A N SER 15.A OG no hydrogen 3.038 N/A LEU 19.A N SER 15.A O no hydrogen 3.393 N/A LEU 20.A N GLU 16.A O no hydrogen 3.042 N/A LYS 21.A N GLU 17.A O no hydrogen 3.013 N/A VAL 22.A N LEU 18.A O no hydrogen 3.147 N/A GLY 23.A N LEU 19.A O no hydrogen 2.829 N/A GLU 24.A N LEU 20.A O no hydrogen 2.910 N/A ILE 26.A N VAL 22.A O no hydrogen 2.780 N/A LYS 27.A N GLY 23.A O no hydrogen 2.781 N/A LYS 27.A NZ GLU 31.A OE2 no hydrogen 3.403 N/A LYS 27.A NZ PHE 74.A O no hydrogen 2.781 N/A ARG 28.A N GLU 24.A O no hydrogen 3.050 N/A ARG 28.A NE GLU 25.A OE1 no hydrogen 2.866 N/A ARG 28.A NH2 GLU 25.A OE1 no hydrogen 3.462 N/A ARG 28.A NH2 GLU 25.A OE2 no hydrogen 2.664 N/A ARG 28.A NH2 GLU 238.A OE1 no hydrogen 3.020 N/A LEU 29.A N GLU 25.A O no hydrogen 3.000 N/A SER 30.A N ILE 26.A O no hydrogen 2.874 N/A SER 30.A OG LYS 27.A O no hydrogen 2.777 N/A GLU 31.A N LYS 27.A O no hydrogen 3.197 N/A GLU 31.A N ARG 28.A O no hydrogen 3.257 N/A LYS 32.A N ARG 28.A O no hydrogen 3.321 N/A LYS 32.A NZ GLU 238.A OE2 no hydrogen 2.517 N/A PHE 33.A N LEU 29.A O no hydrogen 2.679 N/A LYS 34.A NZ GLU 31.A O no hydrogen 2.436 N/A GLU 35.A N GLU 35.A OE1 no hydrogen 2.740 N/A VAL 36.A N PHE 33.A O no hydrogen 3.180 N/A GLU 37.A N PHE 4.A O no hydrogen 2.624 N/A VAL 39.A N VAL 6.A O no hydrogen 2.919 N/A PHE 40.A N LYS 77.A O no hydrogen 2.825 N/A LYS 41.A N ALA 8.A O no hydrogen 2.993 N/A LYS 41.A NZ CYS 11.A O no hydrogen 3.037 N/A LYS 41.A NZ SER 43.A OG no hydrogen 3.013 N/A LYS 41.A NZ GLU 216.A OE2 no hydrogen 3.046 N/A SER 42.A OG PRO 10.A O no hydrogen 2.719 N/A SER 43.A N CYS 11.A O no hydrogen 2.961 N/A SER 43.A OG CYS 11.A O no hydrogen 3.306 N/A SER 43.A OG ASP 81.A OD1 no hydrogen 2.773 N/A LYS 46.A N ARG 56.A O no hydrogen 2.837 N/A LYS 46.A NZ SER 43.A OG no hydrogen 3.289 N/A ARG 49.A NH1 PHE 55.A O no hydrogen 2.913 N/A ARG 49.A NH1 LEU 225.A O no hydrogen 2.985 N/A HIS 53.A N SER 51.A OG no hydrogen 2.972 N/A SER 54.A N SER 51.A O no hydrogen 3.176 N/A ARG 56.A NE ASP 45.A OD1 no hydrogen 3.071 N/A ARG 56.A NH2 ASP 45.A OD1 no hydrogen 3.377 N/A ARG 56.A NH2 ASP 45.A OD2 no hydrogen 2.870 N/A GLY 63.A N GLY 59.A O no hydrogen 3.045 N/A VAL 64.A N LEU 60.A O no hydrogen 2.885 N/A LYS 65.A N GLU 61.A O no hydrogen 3.037 N/A ALA 66.A N TYR 62.A O no hydrogen 2.903 N/A LEU 67.A N GLY 63.A O no hydrogen 2.869 N/A ARG 68.A N VAL 64.A O no hydrogen 2.791 N/A LYS 69.A N LYS 65.A O no hydrogen 3.077 N/A LYS 69.A NZ GLU 72.A OE2 no hydrogen 2.873 N/A VAL 70.A N ALA 66.A O no hydrogen 3.158 N/A LYS 71.A N LEU 67.A O no hydrogen 2.968 N/A LYS 71.A NZ VAL 94.A O no hydrogen 2.687 N/A LYS 71.A NZ ASP 96.A OD2 no hydrogen 2.971 N/A GLU 72.A N ARG 68.A O no hydrogen 2.963 N/A GLU 73.A N LYS 69.A O no hydrogen 2.750 N/A PHE 74.A N VAL 70.A O no hydrogen 2.958 N/A GLY 75.A N LYS 71.A O no hydrogen 2.821 N/A ILE 78.A N ASP 96.A OD2 no hydrogen 2.839 N/A THR 79.A N PHE 40.A O no hydrogen 2.923 N/A THR 79.A OG1 ILE 97.A O no hydrogen 2.605 N/A THR 80.A OG1 SER 42.A O no hydrogen 2.631 N/A ILE 82.A N GLN 99.A O no hydrogen 3.073 N/A HIS 83.A N GLN 87.A OE1 no hydrogen 2.710 N/A TRP 86.A NE1 GLU 84.A OE2 no hydrogen 3.172 N/A GLN 87.A N GLU 84.A O no hydrogen 3.038 N/A ALA 88.A N SER 85.A O no hydrogen 3.119 N/A VAL 91.A N GLN 87.A O no hydrogen 3.060 N/A ALA 92.A N ALA 88.A O no hydrogen 2.808 N/A GLU 93.A N PRO 90.A O no hydrogen 3.174 N/A VAL 94.A N VAL 91.A O no hydrogen 3.004 N/A ALA 95.A N VAL 91.A O no hydrogen 2.944 N/A ASP 96.A N ILE 78.A O no hydrogen 2.771 N/A ILE 97.A N ILE 78.A O no hydrogen 3.139 N/A ILE 98.A N ALA 120.A O no hydrogen 2.806 N/A GLN 99.A N THR 80.A O no hydrogen 2.891 N/A ILE 100.A N ASN 122.A O no hydrogen 2.881 N/A LEU 104.A N PRO 101.A O no hydrogen 2.894 N/A CYS 105.A N ALA 102.A O no hydrogen 3.394 N/A CYS 105.A SG ALA 102.A O no hydrogen 3.302 N/A GLN 107.A N LEU 104.A O no hydrogen 2.990 N/A LEU 111.A N GLN 107.A O no hydrogen 3.148 N/A LEU 112.A N THR 108.A O no hydrogen 2.907 N/A ALA 113.A N ASP 109.A O no hydrogen 2.821 N/A ALA 114.A N LEU 110.A O no hydrogen 2.988 N/A ALA 115.A N LEU 111.A O no hydrogen 2.910 N/A LYS 116.A N LEU 112.A O no hydrogen 3.126 N/A THR 117.A N ALA 114.A O no hydrogen 3.221 N/A THR 117.A OG1 ALA 114.A O no hydrogen 2.705 N/A GLY 118.A N ALA 115.A O no hydrogen 3.510 N/A ARG 119.A N THR 117.A OG1 no hydrogen 3.008 N/A ARG 119.A NE ALA 92.A O no hydrogen 2.833 N/A ARG 119.A NH2 ALA 92.A O no hydrogen 3.031 N/A ALA 120.A N ASP 96.A O no hydrogen 3.170 N/A VAL 121.A N GLU 148.A O no hydrogen 2.929 N/A ASN 122.A N ILE 98.A O no hydrogen 2.895 N/A VAL 123.A N TYR 150.A O no hydrogen 2.885 N/A LYS 124.A N ILE 100.A O no hydrogen 3.052 N/A LYS 124.A NZ ASP 182.A OD2 no hydrogen 3.019 N/A LYS 124.A NZ HIS 185.A ND1 no hydrogen 3.400 N/A LYS 125.A N THR 152.A O no hydrogen 2.866 N/A LYS 125.A NZ GLU 153.A OE1 no hydrogen 2.735 N/A LYS 125.A NZ GLU 153.A OE2 no hydrogen 3.450 N/A GLN 127.A N GLN 127.A OE1 no hydrogen 2.573 N/A LEU 129.A N GLY 126.A O no hydrogen 2.963 N/A ASP 133.A N ALA 130.A O no hydrogen 2.976 N/A THR 134.A N PRO 131.A O no hydrogen 3.236 N/A THR 134.A OG1 PRO 131.A O no hydrogen 2.712 N/A LYS 135.A N TRP 132.A O no hydrogen 3.345 N/A VAL 138.A N THR 134.A O no hydrogen 3.087 N/A GLU 139.A N LYS 135.A O no hydrogen 3.013 N/A LYS 140.A N ASN 136.A O no hydrogen 2.906 N/A LYS 140.A NZ THR 108.A OG1 no hydrogen 2.759 N/A LEU 141.A N VAL 137.A O no hydrogen 3.008 N/A LYS 142.A N VAL 138.A O no hydrogen 2.777 N/A PHE 143.A N GLU 139.A O no hydrogen 2.890 N/A GLY 144.A N LYS 140.A O no hydrogen 3.022 N/A GLY 145.A N LYS 142.A O no hydrogen 3.038 N/A ALA 146.A N LEU 141.A O no hydrogen 2.887 N/A TYR 150.A N VAL 121.A O no hydrogen 2.955 N/A TYR 150.A OH GLU 148.A OE1 no hydrogen 2.447 N/A LEU 151.A N LYS 178.A O no hydrogen 2.965 N/A THR 152.A N VAL 123.A O no hydrogen 2.884 N/A THR 152.A OG1 ASN 122.A OD1 no hydrogen 2.657 N/A GLU 153.A N ILE 180.A O no hydrogen 2.759 N/A ARG 154.A NH1 ARG 154.A O no hydrogen 2.844 N/A GLY 155.A N GLU 153.A OE2 no hydrogen 2.671 N/A THR 156.A N VAL 164.A O no hydrogen 2.832 N/A THR 157.A N GLN 127.A O no hydrogen 2.960 N/A THR 157.A OG1 GLN 127.A O no hydrogen 3.400 N/A PHE 158.A N ASN 162.A O no hydrogen 3.002 N/A VAL 164.A N THR 156.A O no hydrogen 2.941 N/A ARG 168.A N ASP 166.A OD1 no hydrogen 3.188 N/A ARG 168.A NE ASP 166.A OD1 no hydrogen 2.942 N/A ARG 168.A NE ASP 166.A OD2 no hydrogen 3.314 N/A ARG 168.A NH2 ASP 166.A OD2 no hydrogen 2.895 N/A SER 169.A N ASP 166.A O no hydrogen 2.933 N/A SER 169.A OG GLU 153.A OE1 no hydrogen 2.557 N/A SER 169.A OG ASP 166.A O no hydrogen 3.439 N/A LEU 170.A N PHE 167.A O no hydrogen 3.250 N/A ILE 172.A N ARG 168.A O no hydrogen 3.311 N/A MET 173.A N SER 169.A O no hydrogen 2.881 N/A LYS 174.A N LEU 170.A O no hydrogen 3.152 N/A LYS 174.A NZ ASP 211.A OD1 no hydrogen 3.140 N/A LYS 174.A NZ ASP 211.A OD2 no hydrogen 2.924 N/A GLN 175.A N ILE 172.A O no hydrogen 3.083 N/A TRP 176.A N MET 173.A O no hydrogen 2.988 N/A TRP 176.A NE1 THR 134.A OG1 no hydrogen 2.707 N/A ALA 177.A N MET 173.A O no hydrogen 3.144 N/A LYS 178.A N ILE 149.A O no hydrogen 3.438 N/A VAL 179.A N ASP 211.A OD2 no hydrogen 2.776 N/A ILE 180.A N LEU 151.A O no hydrogen 2.785 N/A TYR 181.A N GLY 212.A O no hydrogen 2.918 N/A ASP 182.A N GLU 153.A O no hydrogen 2.975 N/A ALA 183.A N PHE 214.A O no hydrogen 2.919 N/A THR 184.A N ASP 182.A OD1 no hydrogen 3.090 N/A THR 184.A OG1 ASP 182.A OD1 no hydrogen 3.540 N/A HIS 185.A N ASP 182.A OD1 no hydrogen 2.805 N/A HIS 185.A ND1 ASP 182.A OD2 no hydrogen 2.690 N/A SER 186.A OG ASP 182.A O no hydrogen 2.679 N/A GLN 188.A N HIS 185.A O no hydrogen 3.141 N/A GLN 188.A NE2 THR 230.A OG1 no hydrogen 2.644 N/A LEU 189.A N GLY 192.A O no hydrogen 2.853 N/A MET 194.A N VAL 187.A O no hydrogen 3.138 N/A ARG 195.A NE GLN 231.A O no hydrogen 2.735 N/A ARG 195.A NH2 ALA 228.A O no hydrogen 2.623 N/A ARG 195.A NH2 GLN 231.A O no hydrogen 2.794 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 3.019 N/A PHE 197.A N MET 194.A O no hydrogen 3.041 N/A ILE 198.A N ARG 195.A O no hydrogen 3.085 N/A LEU 201.A N PHE 197.A O no hydrogen 3.197 N/A ILE 202.A N ILE 198.A O no hydrogen 3.012 N/A ARG 203.A N PHE 199.A O no hydrogen 3.035 N/A ALA 204.A N PRO 200.A O no hydrogen 3.115 N/A ALA 205.A N LEU 201.A O no hydrogen 2.989 N/A VAL 206.A N ILE 202.A O no hydrogen 3.245 N/A ALA 207.A N ARG 203.A O no hydrogen 3.002 N/A VAL 208.A N ALA 204.A O no hydrogen 2.899 N/A GLY 209.A N ALA 205.A O no hydrogen 2.906 N/A CYS 210.A SG ALA 205.A O no hydrogen 3.802 N/A CYS 210.A SG GLY 212.A O no hydrogen 3.426 N/A ASP 211.A N VAL 179.A O no hydrogen 2.783 N/A VAL 213.A N LEU 5.A O no hydrogen 2.783 N/A PHE 214.A N TYR 181.A O no hydrogen 2.778 N/A MET 215.A N ILE 7.A O no hydrogen 2.772 N/A GLU 216.A N THR 184.A OG1 no hydrogen 3.097 N/A THR 217.A N GLY 9.A O no hydrogen 2.931 N/A THR 217.A OG1 LEU 232.A O no hydrogen 2.813 N/A HIS 218.A N LEU 232.A O no hydrogen 3.033 N/A HIS 218.A NE2 GLU 14.A OE1 no hydrogen 2.797 N/A GLU 220.A N HIS 218.A ND1 no hydrogen 3.069 N/A LYS 223.A N GLU 220.A O no hydrogen 2.987 N/A LYS 223.A NZ GLU 220.A OE1 no hydrogen 2.725 N/A ALA 224.A N PRO 221.A O no hydrogen 2.801 N/A LEU 225.A N GLU 14.A OE2 no hydrogen 2.887 N/A THR 230.A N ASP 227.A O no hydrogen 3.250 N/A GLN 231.A N ASP 227.A O no hydrogen 2.985 N/A GLN 231.A NE2 SER 226.A O no hydrogen 2.839 N/A LEU 232.A N GLU 216.A O no hydrogen 2.922 N/A LEU 234.A N HIS 218.A O no hydrogen 3.003 N/A GLN 236.A N PRO 233.A O no hydrogen 2.946 N/A LEU 237.A N LEU 234.A O no hydrogen 3.115 N/A ILE 240.A N GLN 236.A O no hydrogen 3.201 N/A ILE 241.A N LEU 237.A O no hydrogen 3.012 N/A GLU 242.A N GLU 238.A O no hydrogen 2.951 N/A ALA 243.A N GLY 239.A O no hydrogen 3.060 N/A ILE 244.A N ILE 240.A O no hydrogen 2.927 N/A LEU 245.A N ILE 241.A O no hydrogen 3.063 N/A GLU 246.A N GLU 242.A O no hydrogen 3.013 N/A ILE 247.A N ALA 243.A O no hydrogen 2.944 N/A ARG 248.A N ILE 244.A O no hydrogen 2.718 N/A ARG 248.A NH2 GLU 2.A O no hydrogen 2.683 N/A GLU 249.A N LEU 245.A O no hydrogen 2.907 N/A VAL 250.A N GLU 246.A O no hydrogen 3.180 N/A ALA 251.A N ILE 247.A O no hydrogen 2.915 N/A SER 252.A N ARG 248.A O no hydrogen 2.823 N/A SER 252.A OG GLU 249.A O no hydrogen 2.707 N/A TYR 254.A N ALA 251.A O no hydrogen 2.775 N/A TYR 255.A N SER 252.A O no hydrogen 3.101 N/A TYR 255.A OH VAL 206.A O no hydrogen 2.550 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.776 N/A