Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pe1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ THR 75.A O no hydrogen 3.223 N/A LYS 4.A NZ GLU 28.A OE2 no hydrogen 3.129 N/A ARG 5.A N ASP 8.A OD2 no hydrogen 2.892 N/A ARG 5.A NE GLU 7.A OE2 no hydrogen 3.132 N/A ASP 8.A N ARG 5.A O no hydrogen 3.119 N/A PHE 9.A N PRO 6.A O no hydrogen 3.336 N/A LYS 10.A N ARG 27.A O no hydrogen 2.813 N/A GLY 12.A N LEU 25.A O no hydrogen 2.731 N/A LEU 15.A N VAL 23.A O no hydrogen 2.724 N/A GLY 16.A N VAL 23.A O no hydrogen 3.339 N/A GLY 18.A N SER 21.A O no hydrogen 2.966 N/A THR 22.A N ILE 39.A O no hydrogen 3.162 N/A VAL 23.A N GLY 16.A O no hydrogen 3.006 N/A VAL 24.A N ILE 37.A O no hydrogen 2.875 N/A LEU 25.A N LYS 13.A O no hydrogen 3.092 N/A ALA 26.A N TYR 35.A O no hydrogen 2.916 N/A ARG 27.A N LYS 10.A O no hydrogen 2.882 N/A ARG 27.A NH1 SER 32.A O no hydrogen 2.699 N/A GLU 28.A N ARG 33.A O no hydrogen 2.793 N/A LEU 29.A N ASP 8.A O no hydrogen 3.106 N/A THR 31.A OG1 GLU 28.A OE1 no hydrogen 2.453 N/A SER 32.A OG THR 31.A O no hydrogen 2.413 N/A ARG 33.A N THR 31.A OG1 no hydrogen 3.163 N/A TYR 35.A N ALA 26.A O no hydrogen 2.847 N/A ALA 36.A N LEU 86.A O no hydrogen 2.966 N/A ILE 37.A N VAL 24.A O no hydrogen 2.856 N/A LYS 38.A N PHE 84.A O no hydrogen 2.858 N/A LYS 38.A NZ GLU 57.A OE2 no hydrogen 2.595 N/A ILE 39.A N THR 22.A O no hydrogen 2.725 N/A LEU 40.A N LEU 82.A O no hydrogen 3.085 N/A LYS 42.A N GLU 80.A O no hydrogen 2.933 N/A LYS 42.A NZ GLN 77.A OE1 no hydrogen 2.701 N/A LYS 42.A NZ ASP 78.A O no hydrogen 3.001 N/A ARG 43.A N GLU 41.A OE1 no hydrogen 2.783 N/A HIS 44.A N GLU 41.A OE2 no hydrogen 2.559 N/A ILE 45.A N GLU 41.A O no hydrogen 3.001 N/A ILE 46.A N LYS 42.A O no hydrogen 3.022 N/A LYS 47.A N ARG 43.A O no hydrogen 2.990 N/A GLU 48.A N HIS 44.A O no hydrogen 3.287 N/A ASN 49.A N ILE 46.A O no hydrogen 2.920 N/A LYS 50.A N ILE 45.A O no hydrogen 2.880 N/A TYR 53.A N LYS 50.A O no hydrogen 2.779 N/A VAL 54.A N LYS 50.A O no hydrogen 3.140 N/A THR 55.A N VAL 51.A O no hydrogen 2.979 N/A THR 55.A OG1 PRO 52.A O no hydrogen 3.378 N/A ARG 56.A N PRO 52.A O no hydrogen 3.158 N/A ARG 56.A NH1 ALA 154.A O no hydrogen 3.127 N/A GLU 57.A N TYR 53.A O no hydrogen 3.075 N/A ARG 58.A N VAL 54.A O no hydrogen 3.340 N/A ASP 59.A N THR 55.A O no hydrogen 3.016 N/A VAL 60.A N ARG 56.A O no hydrogen 2.827 N/A MET 61.A N GLU 57.A O no hydrogen 2.973 N/A SER 62.A N ARG 58.A O no hydrogen 3.090 N/A SER 62.A OG ARG 58.A O no hydrogen 2.851 N/A ARG 63.A N VAL 60.A O no hydrogen 2.824 N/A ASP 65.A N TYR 122.A OH no hydrogen 2.949 N/A PHE 68.A N HIS 66.A ND1 no hydrogen 3.267 N/A VAL 70.A N ILE 148.A O no hydrogen 3.118 N/A LYS 71.A N SER 87.A OG no hydrogen 3.071 N/A TYR 73.A N GLY 85.A O no hydrogen 2.923 N/A PHE 76.A N TYR 83.A O no hydrogen 3.153 N/A ASP 78.A N LYS 81.A O no hydrogen 3.130 N/A GLU 80.A N ASP 78.A OD1 no hydrogen 2.912 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.655 N/A LEU 82.A N LEU 40.A O no hydrogen 2.854 N/A TYR 83.A N PHE 76.A O no hydrogen 2.935 N/A TYR 83.A OH ASP 78.A OD2 no hydrogen 2.790 N/A PHE 84.A N LYS 38.A O no hydrogen 2.995 N/A GLY 85.A N PHE 74.A O no hydrogen 2.799 N/A LEU 86.A N ALA 36.A O no hydrogen 2.816 N/A SER 87.A N LYS 71.A O no hydrogen 3.228 N/A ASN 91.A N LEU 140.A O no hydrogen 2.997 N/A ASN 91.A ND2 ASN 141.A O no hydrogen 2.812 N/A GLY 92.A N ALA 89.A O no hydrogen 2.991 N/A LEU 94.A N ILE 138.A O no hydrogen 2.867 N/A LYS 96.A N GLU 93.A O no hydrogen 3.136 N/A TYR 97.A N LEU 94.A O no hydrogen 3.049 N/A ILE 98.A N LEU 94.A O no hydrogen 3.189 N/A ARG 99.A N LEU 95.A O no hydrogen 3.154 N/A LYS 100.A N LYS 96.A O no hydrogen 2.790 N/A ILE 101.A N TYR 97.A O no hydrogen 2.904 N/A SER 103.A OG VAL 192.A O no hydrogen 2.731 N/A PHE 104.A N LEU 191.A O no hydrogen 3.101 N/A CYS 108.A N ASP 105.A O no hydrogen 3.122 N/A CYS 108.A N ASP 105.A OD2 no hydrogen 2.772 N/A CYS 108.A SG ASP 105.A OD1 no hydrogen 3.919 N/A CYS 108.A SG ASP 105.A OD2 no hydrogen 3.361 N/A CYS 108.A SG LYS 273.A O no hydrogen 3.301 N/A THR 109.A N ASP 105.A O no hydrogen 3.000 N/A THR 109.A OG1 GLU 106.A O no hydrogen 3.481 N/A ARG 110.A N GLU 106.A O no hydrogen 3.006 N/A ARG 110.A NH1 GLU 106.A OE2 no hydrogen 3.066 N/A PHE 111.A N THR 107.A O no hydrogen 3.194 N/A TYR 112.A N CYS 108.A O no hydrogen 3.058 N/A TYR 112.A OH MET 144.A O no hydrogen 2.720 N/A THR 113.A N THR 109.A O no hydrogen 2.750 N/A THR 113.A OG1 THR 109.A O no hydrogen 2.842 N/A ALA 114.A N ARG 110.A O no hydrogen 3.111 N/A GLU 115.A N PHE 111.A O no hydrogen 3.119 N/A ILE 116.A N TYR 112.A O no hydrogen 3.120 N/A VAL 117.A N THR 113.A O no hydrogen 3.078 N/A SER 118.A N ALA 114.A O no hydrogen 2.941 N/A SER 118.A OG ALA 114.A O no hydrogen 2.989 N/A ALA 119.A N GLU 115.A O no hydrogen 3.036 N/A LEU 120.A N ILE 116.A O no hydrogen 3.092 N/A GLU 121.A N VAL 117.A O no hydrogen 3.132 N/A TYR 122.A N SER 118.A O no hydrogen 3.267 N/A LEU 123.A N ALA 119.A O no hydrogen 3.072 N/A HIS 124.A N LEU 120.A O no hydrogen 2.789 N/A HIS 124.A NE2 ASP 180.A OD2 no hydrogen 3.145 N/A GLY 125.A N GLU 121.A O no hydrogen 3.034 N/A LYS 126.A N LEU 123.A O no hydrogen 2.941 N/A LYS 126.A NZ ARG 63.A O no hydrogen 3.018 N/A GLY 127.A N HIS 124.A O no hydrogen 3.024 N/A ILE 128.A N LEU 123.A O no hydrogen 3.276 N/A ILE 129.A N LYS 155.A O no hydrogen 2.856 N/A HIS 130.A N ASP 180.A OD2 no hydrogen 2.889 N/A HIS 130.A NE2 THR 149.A O no hydrogen 2.912 N/A ARG 131.A N ASP 180.A OD1 no hydrogen 2.991 N/A ARG 131.A NE THR 153.A O no hydrogen 2.979 N/A ARG 131.A NH2 THR 153.A O no hydrogen 3.210 N/A ARG 131.A NH2 ALA 154.A O no hydrogen 3.523 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.130 N/A LYS 134.A NZ ASP 132.A OD1 no hydrogen 3.507 N/A LYS 134.A NZ THR 161.A OG1 no hydrogen 2.445 N/A ASN 137.A N LYS 134.A O no hydrogen 2.796 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.591 N/A ASN 137.A ND2 ASP 150.A OD2 no hydrogen 3.322 N/A ILE 138.A N PRO 135.A O no hydrogen 3.241 N/A LEU 139.A N GLN 147.A O no hydrogen 2.991 N/A LEU 140.A N GLY 92.A O no hydrogen 2.606 N/A ASN 141.A N HIS 145.A O no hydrogen 3.007 N/A MET 144.A N ASN 141.A O no hydrogen 2.750 N/A HIS 145.A N ASN 141.A OD1 no hydrogen 2.901 N/A HIS 145.A ND1 GLU 115.A OE2 no hydrogen 2.765 N/A ILE 146.A N GLU 115.A OE1 no hydrogen 3.154 N/A GLN 147.A N LEU 139.A O no hydrogen 2.802 N/A ILE 148.A N PHE 68.A O no hydrogen 2.945 N/A THR 149.A N ASN 137.A O no hydrogen 3.100 N/A ALA 154.A N PHE 151.A O no hydrogen 3.319 N/A LYS 155.A N ILE 129.A O no hydrogen 2.857 N/A LEU 157.A N GLY 127.A O no hydrogen 2.906 N/A THR 161.A OG1 ASP 132.A OD1 no hydrogen 2.976 N/A GLN 163.A NE2 PHE 198.A O no hydrogen 3.631 N/A TYR 164.A N THR 161.A O no hydrogen 2.820 N/A VAL 165.A N ALA 162.A O no hydrogen 3.409 N/A SER 166.A OG SER 179.A OG no hydrogen 3.357 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.921 N/A LEU 169.A N SER 166.A O no hydrogen 3.142 N/A LEU 170.A N PRO 167.A O no hydrogen 3.177 N/A THR 171.A N GLU 168.A O no hydrogen 3.440 N/A THR 171.A OG1 PRO 167.A O no hydrogen 3.492 N/A THR 171.A OG1 GLU 168.A O no hydrogen 3.068 N/A THR 171.A OG1 GLU 172.A OE1 no hydrogen 3.338 N/A LYS 173.A N GLU 168.A O no hydrogen 3.106 N/A CYS 176.A N SER 179.A OG no hydrogen 3.181 N/A LYS 177.A NZ HIS 124.A O no hydrogen 3.068 N/A SER 178.A OG ALA 237.A O no hydrogen 2.775 N/A SER 179.A N CYS 176.A O no hydrogen 2.789 N/A SER 179.A OG SER 166.A OG no hydrogen 3.357 N/A SER 179.A OG GLU 168.A OE2 no hydrogen 2.946 N/A ASP 180.A N LYS 177.A O no hydrogen 3.123 N/A LEU 181.A N LYS 177.A O no hydrogen 3.429 N/A TRP 182.A N SER 178.A O no hydrogen 3.198 N/A ALA 183.A N SER 179.A O no hydrogen 3.303 N/A LEU 184.A N ASP 180.A O no hydrogen 2.905 N/A GLY 185.A N LEU 181.A O no hydrogen 3.114 N/A CYS 186.A N TRP 182.A O no hydrogen 3.129 N/A CYS 186.A SG GLN 163.A O no hydrogen 3.971 N/A CYS 186.A SG TRP 182.A O no hydrogen 3.459 N/A ILE 187.A N ALA 183.A O no hydrogen 2.987 N/A ILE 188.A N LEU 184.A O no hydrogen 2.975 N/A TYR 189.A N GLY 185.A O no hydrogen 3.231 N/A TYR 189.A OH ASP 216.A O no hydrogen 2.544 N/A GLN 190.A N CYS 186.A O no hydrogen 3.096 N/A GLN 190.A NE2 TYR 164.A OH no hydrogen 2.678 N/A LEU 191.A N ILE 187.A O no hydrogen 2.842 N/A VAL 192.A N ILE 188.A O no hydrogen 3.122 N/A ALA 193.A N TYR 189.A O no hydrogen 2.848 N/A GLY 194.A N GLN 190.A O no hydrogen 2.905 N/A LEU 205.A N ASN 202.A OD1 no hydrogen 3.092 N/A ILE 206.A N ASN 202.A O no hydrogen 3.205 N/A PHE 207.A N GLU 203.A O no hydrogen 3.052 N/A GLN 208.A N TYR 204.A O no hydrogen 3.038 N/A LYS 209.A N LEU 205.A O no hydrogen 3.192 N/A LYS 209.A NZ GLU 214.A OE1 no hydrogen 2.608 N/A ILE 210.A N ILE 206.A O no hydrogen 3.091 N/A ILE 211.A N PHE 207.A O no hydrogen 3.325 N/A LYS 212.A N GLN 208.A O no hydrogen 3.330 N/A LEU 213.A N ILE 210.A O no hydrogen 3.076 N/A GLU 214.A N LYS 209.A O no hydrogen 2.735 N/A ARG 226.A N PHE 222.A O no hydrogen 2.723 N/A ARG 226.A NE GLU 230.A OE1 no hydrogen 2.892 N/A ASP 227.A N PRO 223.A O no hydrogen 2.857 N/A LEU 228.A N LYS 224.A O no hydrogen 3.272 N/A VAL 229.A N ALA 225.A O no hydrogen 3.182 N/A GLU 230.A N ARG 226.A O no hydrogen 3.030 N/A LYS 231.A N LEU 228.A O no hydrogen 2.977 N/A LYS 231.A NZ ASP 227.A OD1 no hydrogen 2.998 N/A LYS 231.A NZ ASP 227.A OD2 no hydrogen 3.151 N/A LEU 232.A N VAL 229.A O no hydrogen 3.226 N/A LEU 233.A N VAL 229.A O no hydrogen 2.815 N/A VAL 234.A N LEU 232.A O no hydrogen 2.873 N/A THR 238.A N ASP 236.A OD1 no hydrogen 2.774 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.601 N/A THR 238.A OG1 ASP 236.A OD2 no hydrogen 3.402 N/A LYS 239.A N ASP 236.A O no hydrogen 3.091 N/A LYS 239.A NZ ASP 236.A OD2 no hydrogen 3.529 N/A ARG 240.A N ALA 237.A O no hydrogen 3.356 N/A ARG 240.A NE VAL 234.A O no hydrogen 2.809 N/A ARG 240.A NH1 GLU 168.A OE1 no hydrogen 3.393 N/A ARG 240.A NH1 GLU 168.A OE2 no hydrogen 3.078 N/A ARG 240.A NH1 SER 178.A O no hydrogen 2.893 N/A ARG 240.A NH2 GLU 168.A OE1 no hydrogen 3.027 N/A ARG 240.A NH2 VAL 234.A O no hydrogen 2.848 N/A LEU 241.A N LYS 231.A O no hydrogen 3.089 N/A CYS 243.A N ARG 240.A O no hydrogen 3.168 N/A CYS 243.A SG ALA 237.A O no hydrogen 3.790 N/A CYS 243.A SG THR 238.A O no hydrogen 3.243 N/A CYS 243.A SG ARG 240.A O no hydrogen 3.305 N/A CYS 243.A SG GLU 245.A OE2 no hydrogen 3.475 N/A GLU 245.A N GLU 245.A OE2 no hydrogen 2.929 N/A MET 246.A N CYS 243.A O no hydrogen 3.043 N/A GLU 247.A N GLU 244.A O no hydrogen 2.770 N/A GLY 248.A N CYS 243.A O no hydrogen 2.770 N/A TYR 249.A OH HIS 124.A ND1 no hydrogen 2.601 N/A LYS 253.A N TYR 249.A O no hydrogen 3.000 N/A LYS 253.A NZ GLU 121.A OE2 no hydrogen 2.864 N/A ALA 254.A N GLY 250.A O no hydrogen 3.268 N/A HIS 255.A N LEU 252.A O no hydrogen 3.391 N/A HIS 255.A NE2 ASP 227.A OD2 no hydrogen 2.763 N/A PHE 257.A N HIS 255.A ND1 no hydrogen 3.186 N/A PHE 258.A N HIS 255.A O no hydrogen 2.952 N/A GLU 259.A N PRO 256.A O no hydrogen 3.178 N/A VAL 261.A N PHE 258.A O no hydrogen 2.883 N/A GLN 268.A N ASN 265.A O no hydrogen 2.808 N/A GLN 269.A N LEU 266.A O no hydrogen 3.148 N/A GLN 269.A NE2 THR 262.A O no hydrogen 3.063 N/A GLN 269.A NE2 ASN 265.A OD1 no hydrogen 2.798 N/A THR 275.A OG1 LEU 274.A O no hydrogen 2.565 N/A