Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pe2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ THR 75.A O no hydrogen 2.999 N/A LYS 4.A NZ GLU 28.A OE2 no hydrogen 3.132 N/A ARG 5.A N ASP 8.A OD2 no hydrogen 2.757 N/A ARG 5.A NH1 GLU 7.A OE2 no hydrogen 2.850 N/A ASP 8.A N ARG 5.A O no hydrogen 3.043 N/A PHE 9.A N PRO 6.A O no hydrogen 3.075 N/A LYS 10.A N ARG 27.A O no hydrogen 2.828 N/A GLY 12.A N LEU 25.A O no hydrogen 2.706 N/A LEU 15.A N VAL 23.A O no hydrogen 2.756 N/A GLY 16.A N VAL 23.A O no hydrogen 3.308 N/A GLY 18.A N SER 21.A O no hydrogen 2.869 N/A THR 22.A N ILE 39.A O no hydrogen 3.050 N/A VAL 23.A N GLY 16.A O no hydrogen 2.842 N/A VAL 24.A N ILE 37.A O no hydrogen 2.843 N/A LEU 25.A N LYS 13.A O no hydrogen 2.917 N/A ALA 26.A N TYR 35.A O no hydrogen 2.869 N/A ARG 27.A N LYS 10.A O no hydrogen 2.915 N/A GLU 28.A N ARG 33.A O no hydrogen 2.881 N/A LEU 29.A N ASP 8.A O no hydrogen 2.906 N/A THR 31.A N GLU 28.A O no hydrogen 3.434 N/A THR 31.A OG1 GLU 28.A OE1 no hydrogen 2.471 N/A SER 32.A N GLU 28.A O no hydrogen 2.734 N/A SER 32.A OG THR 31.A O no hydrogen 2.485 N/A ARG 33.A N THR 31.A OG1 no hydrogen 3.076 N/A TYR 35.A N ALA 26.A O no hydrogen 2.876 N/A ALA 36.A N LEU 86.A O no hydrogen 3.058 N/A ILE 37.A N VAL 24.A O no hydrogen 2.880 N/A LYS 38.A N PHE 84.A O no hydrogen 2.875 N/A LYS 38.A NZ GLU 57.A OE2 no hydrogen 2.551 N/A ILE 39.A N THR 22.A O no hydrogen 2.782 N/A LEU 40.A N LEU 82.A O no hydrogen 2.881 N/A LYS 42.A N GLU 80.A O no hydrogen 2.846 N/A LYS 42.A NZ GLN 77.A OE1 no hydrogen 2.774 N/A LYS 42.A NZ ASP 78.A O no hydrogen 2.756 N/A ILE 45.A N GLU 41.A O no hydrogen 3.048 N/A ILE 46.A N LYS 42.A O no hydrogen 2.968 N/A LYS 47.A N ARG 43.A O no hydrogen 2.827 N/A GLU 48.A N HIS 44.A O no hydrogen 3.003 N/A ASN 49.A N ILE 46.A O no hydrogen 3.037 N/A LYS 50.A N ILE 45.A O no hydrogen 2.825 N/A TYR 53.A N LYS 50.A O no hydrogen 2.855 N/A VAL 54.A N LYS 50.A O no hydrogen 2.993 N/A THR 55.A N VAL 51.A O no hydrogen 2.918 N/A THR 55.A OG1 VAL 51.A O no hydrogen 2.795 N/A ARG 56.A N PRO 52.A O no hydrogen 2.970 N/A ARG 56.A NE GLY 152.A O no hydrogen 3.133 N/A GLU 57.A N TYR 53.A O no hydrogen 2.971 N/A ARG 58.A N VAL 54.A O no hydrogen 3.211 N/A ASP 59.A N THR 55.A O no hydrogen 2.978 N/A VAL 60.A N ARG 56.A O no hydrogen 2.836 N/A MET 61.A N GLU 57.A O no hydrogen 3.101 N/A SER 62.A N ARG 58.A O no hydrogen 3.297 N/A SER 62.A OG ARG 58.A O no hydrogen 3.174 N/A ARG 63.A N VAL 60.A O no hydrogen 3.034 N/A LEU 64.A N VAL 60.A O no hydrogen 3.283 N/A LEU 64.A N MET 61.A O no hydrogen 3.337 N/A ASP 65.A N TYR 122.A OH no hydrogen 2.854 N/A PHE 68.A N HIS 66.A ND1 no hydrogen 3.101 N/A PHE 69.A N HIS 66.A O no hydrogen 3.193 N/A VAL 70.A N ILE 148.A O no hydrogen 2.974 N/A LYS 71.A N SER 87.A OG no hydrogen 2.861 N/A TYR 73.A N GLY 85.A O no hydrogen 2.778 N/A PHE 76.A N TYR 83.A O no hydrogen 3.020 N/A ASP 78.A N LYS 81.A O no hydrogen 3.019 N/A GLU 80.A N ASP 78.A OD1 no hydrogen 3.016 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.760 N/A LEU 82.A N LEU 40.A O no hydrogen 2.703 N/A TYR 83.A N PHE 76.A O no hydrogen 2.791 N/A TYR 83.A OH ASP 78.A OD2 no hydrogen 2.811 N/A PHE 84.A N LYS 38.A O no hydrogen 2.905 N/A GLY 85.A N PHE 74.A O no hydrogen 2.745 N/A LEU 86.A N ALA 36.A O no hydrogen 2.855 N/A SER 87.A N LYS 71.A O no hydrogen 3.109 N/A ASN 91.A N LEU 140.A O no hydrogen 2.951 N/A ASN 91.A ND2 ASN 141.A O no hydrogen 3.042 N/A ASN 91.A ND2 GLU 142.A O no hydrogen 3.668 N/A GLY 92.A N ALA 89.A O no hydrogen 3.017 N/A LEU 94.A N ILE 138.A O no hydrogen 2.807 N/A LYS 96.A N GLU 93.A O no hydrogen 3.018 N/A TYR 97.A N LEU 94.A O no hydrogen 3.038 N/A ILE 98.A N LEU 94.A O no hydrogen 3.152 N/A ARG 99.A N LEU 95.A O no hydrogen 3.027 N/A LYS 100.A N LYS 96.A O no hydrogen 2.891 N/A ILE 101.A N TYR 97.A O no hydrogen 3.049 N/A SER 103.A OG VAL 192.A O no hydrogen 3.083 N/A PHE 104.A N LEU 191.A O no hydrogen 2.856 N/A CYS 108.A N ASP 105.A OD2 no hydrogen 2.813 N/A CYS 108.A SG ASP 105.A OD2 no hydrogen 3.177 N/A CYS 108.A SG LYS 273.A O no hydrogen 3.365 N/A THR 109.A N ASP 105.A O no hydrogen 2.915 N/A THR 109.A OG1 PHE 104.A O no hydrogen 3.518 N/A THR 109.A OG1 ASP 105.A O no hydrogen 2.834 N/A ARG 110.A N GLU 106.A O no hydrogen 2.872 N/A ARG 110.A NH1 GLU 106.A OE2 no hydrogen 3.494 N/A ARG 110.A NH1 PHE 257.A O no hydrogen 3.346 N/A PHE 111.A N THR 107.A O no hydrogen 3.061 N/A TYR 112.A N CYS 108.A O no hydrogen 3.140 N/A TYR 112.A OH MET 144.A O no hydrogen 2.640 N/A THR 113.A N THR 109.A O no hydrogen 2.957 N/A THR 113.A OG1 THR 109.A O no hydrogen 2.729 N/A ALA 114.A N ARG 110.A O no hydrogen 2.983 N/A GLU 115.A N PHE 111.A O no hydrogen 3.083 N/A ILE 116.A N TYR 112.A O no hydrogen 3.087 N/A VAL 117.A N THR 113.A O no hydrogen 2.922 N/A SER 118.A N ALA 114.A O no hydrogen 2.962 N/A SER 118.A OG ALA 114.A O no hydrogen 2.894 N/A ALA 119.A N GLU 115.A O no hydrogen 3.037 N/A LEU 120.A N ILE 116.A O no hydrogen 2.985 N/A GLU 121.A N VAL 117.A O no hydrogen 2.917 N/A TYR 122.A N SER 118.A O no hydrogen 3.152 N/A LEU 123.A N ALA 119.A O no hydrogen 2.863 N/A HIS 124.A N LEU 120.A O no hydrogen 2.764 N/A HIS 124.A NE2 ASP 180.A OD2 no hydrogen 2.839 N/A GLY 125.A N GLU 121.A O no hydrogen 2.960 N/A LYS 126.A N LEU 123.A O no hydrogen 2.931 N/A LYS 126.A NZ TYR 122.A OH no hydrogen 3.335 N/A GLY 127.A N HIS 124.A O no hydrogen 3.033 N/A ILE 128.A N LEU 123.A O no hydrogen 3.208 N/A ILE 129.A N LYS 155.A O no hydrogen 2.724 N/A HIS 130.A N ASP 180.A OD2 no hydrogen 2.858 N/A HIS 130.A NE2 THR 149.A O no hydrogen 3.050 N/A ARG 131.A N ASP 180.A OD1 no hydrogen 3.009 N/A ARG 131.A NE THR 153.A O no hydrogen 2.907 N/A ARG 131.A NH2 THR 153.A O no hydrogen 3.144 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.020 N/A LYS 134.A NZ ASP 132.A OD2 no hydrogen 3.358 N/A LYS 134.A NZ THR 161.A OG1 no hydrogen 2.461 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.600 N/A ASN 137.A N LYS 134.A O no hydrogen 2.724 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.663 N/A ASN 137.A ND2 ASP 150.A OD2 no hydrogen 3.106 N/A ILE 138.A N PRO 135.A O no hydrogen 3.378 N/A LEU 139.A N GLN 147.A O no hydrogen 2.908 N/A LEU 140.A N GLY 92.A O no hydrogen 2.782 N/A ASN 141.A N HIS 145.A O no hydrogen 2.991 N/A MET 144.A N ASN 141.A O no hydrogen 2.865 N/A HIS 145.A N ASN 141.A OD1 no hydrogen 2.922 N/A HIS 145.A ND1 GLU 115.A OE2 no hydrogen 2.589 N/A ILE 146.A N GLU 115.A OE1 no hydrogen 3.110 N/A GLN 147.A N LEU 139.A O no hydrogen 2.810 N/A ILE 148.A N PHE 68.A O no hydrogen 2.919 N/A THR 149.A N ASN 137.A O no hydrogen 2.987 N/A ALA 154.A N PHE 151.A O no hydrogen 3.020 N/A LYS 155.A N ILE 129.A O no hydrogen 2.834 N/A LEU 157.A N GLY 127.A O no hydrogen 2.830 N/A THR 161.A N ASP 132.A OD1 no hydrogen 2.896 N/A THR 161.A OG1 ASP 132.A OD1 no hydrogen 3.417 N/A TYR 164.A N THR 161.A O no hydrogen 2.953 N/A VAL 165.A N ALA 162.A O no hydrogen 3.129 N/A SER 166.A OG SER 179.A OG no hydrogen 3.418 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.783 N/A LEU 169.A N SER 166.A O no hydrogen 3.146 N/A LEU 170.A N PRO 167.A O no hydrogen 2.724 N/A THR 171.A N PRO 167.A O no hydrogen 2.880 N/A THR 171.A N GLU 168.A O no hydrogen 3.324 N/A THR 171.A OG1 PRO 167.A O no hydrogen 3.290 N/A GLU 172.A N GLU 168.A O no hydrogen 3.019 N/A LYS 173.A N GLU 168.A O no hydrogen 2.879 N/A CYS 176.A N SER 179.A OG no hydrogen 3.044 N/A CYS 176.A SG GLU 168.A OE2 no hydrogen 3.819 N/A LYS 177.A NZ HIS 124.A O no hydrogen 3.277 N/A LYS 177.A NZ GLU 244.A OE2 no hydrogen 2.724 N/A SER 178.A OG ALA 237.A O no hydrogen 2.634 N/A SER 179.A N CYS 176.A O no hydrogen 2.766 N/A SER 179.A OG SER 166.A OG no hydrogen 3.418 N/A SER 179.A OG GLU 168.A OE2 no hydrogen 2.734 N/A SER 179.A OG CYS 176.A O no hydrogen 3.169 N/A ASP 180.A N LYS 177.A O no hydrogen 2.965 N/A TRP 182.A N SER 178.A O no hydrogen 3.092 N/A ALA 183.A N SER 179.A O no hydrogen 3.265 N/A LEU 184.A N ASP 180.A O no hydrogen 2.850 N/A GLY 185.A N LEU 181.A O no hydrogen 2.994 N/A CYS 186.A N TRP 182.A O no hydrogen 3.043 N/A CYS 186.A SG GLN 163.A O no hydrogen 3.775 N/A CYS 186.A SG TRP 182.A O no hydrogen 3.609 N/A ILE 187.A N ALA 183.A O no hydrogen 2.862 N/A ILE 188.A N LEU 184.A O no hydrogen 2.855 N/A TYR 189.A N GLY 185.A O no hydrogen 3.112 N/A TYR 189.A OH ASP 216.A O no hydrogen 2.541 N/A GLN 190.A N CYS 186.A O no hydrogen 2.919 N/A GLN 190.A NE2 TYR 164.A OH no hydrogen 2.500 N/A LEU 191.A N ILE 187.A O no hydrogen 2.809 N/A VAL 192.A N ILE 188.A O no hydrogen 3.047 N/A ALA 193.A N TYR 189.A O no hydrogen 2.693 N/A GLY 194.A N GLN 190.A O no hydrogen 2.734 N/A LEU 205.A N ASN 202.A OD1 no hydrogen 2.844 N/A ILE 206.A N ASN 202.A O no hydrogen 3.102 N/A PHE 207.A N GLU 203.A O no hydrogen 2.992 N/A GLN 208.A N TYR 204.A O no hydrogen 3.073 N/A LYS 209.A N LEU 205.A O no hydrogen 3.213 N/A LYS 209.A NZ GLU 214.A OE1 no hydrogen 2.840 N/A ILE 210.A N ILE 206.A O no hydrogen 3.012 N/A ILE 211.A N PHE 207.A O no hydrogen 3.203 N/A LYS 212.A N GLN 208.A O no hydrogen 3.292 N/A LEU 213.A N ILE 210.A O no hydrogen 2.847 N/A GLU 214.A N LYS 209.A O no hydrogen 2.798 N/A PHE 221.A N PRO 218.A O no hydrogen 3.281 N/A ARG 226.A N PHE 222.A O no hydrogen 2.804 N/A ARG 226.A NE GLU 230.A OE1 no hydrogen 2.810 N/A ARG 226.A NH2 GLU 230.A OE1 no hydrogen 3.373 N/A ASP 227.A N PRO 223.A O no hydrogen 2.956 N/A LEU 228.A N LYS 224.A O no hydrogen 3.083 N/A VAL 229.A N ALA 225.A O no hydrogen 3.032 N/A GLU 230.A N ARG 226.A O no hydrogen 3.053 N/A LYS 231.A N LEU 228.A O no hydrogen 2.878 N/A LYS 231.A NZ ASP 227.A OD1 no hydrogen 3.142 N/A LYS 231.A NZ ASP 227.A OD2 no hydrogen 3.136 N/A LEU 232.A N VAL 229.A O no hydrogen 3.141 N/A LEU 233.A N VAL 229.A O no hydrogen 2.801 N/A THR 238.A N ASP 236.A OD1 no hydrogen 2.799 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.710 N/A THR 238.A OG1 ASP 236.A OD2 no hydrogen 3.216 N/A LYS 239.A N ASP 236.A O no hydrogen 3.076 N/A ARG 240.A NE VAL 234.A O no hydrogen 2.815 N/A ARG 240.A NH1 GLU 168.A OE2 no hydrogen 2.987 N/A ARG 240.A NH1 SER 178.A O no hydrogen 2.940 N/A ARG 240.A NH2 GLU 168.A OE1 no hydrogen 2.807 N/A ARG 240.A NH2 VAL 234.A O no hydrogen 3.130 N/A ARG 240.A NH2 LEU 235.A O no hydrogen 3.338 N/A LEU 241.A N LYS 231.A O no hydrogen 2.951 N/A CYS 243.A N ARG 240.A O no hydrogen 3.070 N/A CYS 243.A SG ALA 237.A O no hydrogen 3.727 N/A CYS 243.A SG ARG 240.A O no hydrogen 3.136 N/A CYS 243.A SG GLU 245.A OE2 no hydrogen 3.538 N/A GLU 245.A N GLU 245.A OE2 no hydrogen 2.768 N/A MET 246.A N CYS 243.A O no hydrogen 3.018 N/A GLU 247.A N GLU 244.A O no hydrogen 2.777 N/A GLY 248.A N CYS 243.A O no hydrogen 2.875 N/A TYR 249.A OH HIS 124.A ND1 no hydrogen 2.679 N/A LYS 253.A N TYR 249.A O no hydrogen 2.815 N/A LYS 253.A NZ GLU 121.A OE2 no hydrogen 3.003 N/A ALA 254.A N GLY 250.A O no hydrogen 2.971 N/A ALA 254.A N PRO 251.A O no hydrogen 3.226 N/A HIS 255.A N LEU 252.A O no hydrogen 3.074 N/A HIS 255.A NE2 ASP 227.A OD2 no hydrogen 2.608 N/A PHE 257.A N HIS 255.A ND1 no hydrogen 3.001 N/A PHE 258.A N HIS 255.A O no hydrogen 2.872 N/A GLU 259.A N PRO 256.A O no hydrogen 3.067 N/A VAL 261.A N PHE 258.A O no hydrogen 2.797 N/A GLN 268.A N ASN 265.A O no hydrogen 2.932 N/A GLN 269.A N LEU 266.A O no hydrogen 2.957 N/A GLN 269.A NE2 THR 262.A O no hydrogen 2.965 N/A