Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pxp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1 no hydrogen 2.461 N/A GLN 5.A N ARG 22.A O no hydrogen 3.095 N/A VAL 7.A N LYS 20.A O no hydrogen 2.868 N/A LYS 9.A NZ TYR 19.A OH no hydrogen 3.228 N/A ILE 10.A N VAL 18.A O no hydrogen 2.975 N/A GLY 11.A N VAL 18.A O no hydrogen 3.143 N/A VAL 18.A N GLY 11.A O no hydrogen 2.740 N/A TYR 19.A N LEU 32.A O no hydrogen 2.863 N/A LYS 20.A N GLU 8.A O no hydrogen 2.936 N/A ALA 21.A N VAL 30.A O no hydrogen 2.764 N/A ARG 22.A N GLN 5.A O no hydrogen 3.042 N/A ASN 23.A N GLU 28.A O no hydrogen 3.109 N/A LYS 24.A N ASN 3.A O no hydrogen 3.168 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.900 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.554 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.637 N/A GLY 27.A N ASN 23.A O no hydrogen 2.844 N/A VAL 29.A N GLU 28.A OE2 no hydrogen 3.150 N/A VAL 30.A N ALA 21.A O no hydrogen 2.993 N/A ALA 31.A N PHE 76.A O no hydrogen 2.911 N/A LEU 32.A N TYR 19.A O no hydrogen 2.628 N/A LYS 33.A N.A LEU 74.A O no hydrogen 2.766 N/A LYS 33.A N.B LEU 74.A O no hydrogen 2.596 N/A LYS 33.A NZ.B ASP 141.A OD1 no hydrogen 2.808 N/A LYS 34.A N VAL 17.A O no hydrogen 3.314 N/A ILE 35.A N LEU 72.A O no hydrogen 2.724 N/A ILE 45.A N PRO 41.A O no hydrogen 3.438 N/A ARG 46.A N SER 42.A O no hydrogen 3.140 N/A GLU 47.A N THR 43.A O no hydrogen 2.927 N/A ILE 48.A N ALA 44.A O no hydrogen 2.655 N/A SER 49.A N ILE 45.A O no hydrogen 2.797 N/A SER 49.A OG ILE 45.A O no hydrogen 2.807 N/A LEU 50.A N ARG 46.A O no hydrogen 3.337 N/A LEU 50.A N GLU 47.A O no hydrogen 3.179 N/A LEU 51.A N ILE 48.A O no hydrogen 3.106 N/A LYS 52.A N SER 49.A O no hydrogen 2.964 N/A GLU 53.A N LEU 50.A O no hydrogen 2.932 N/A ASN 58.A ND2 GLN 106.A OE1 no hydrogen 3.066 N/A ASN 58.A ND2 ILE 137.A O no hydrogen 3.229 N/A ILE 59.A N HIS 56.A O no hydrogen 2.980 N/A VAL 60.A N LEU 139.A O no hydrogen 2.966 N/A LYS 61.A N GLU 77.A OE2 no hydrogen 3.144 N/A LEU 63.A N VAL 75.A O no hydrogen 2.889 N/A ASP 64.A N VAL 75.A O no hydrogen 3.405 N/A ILE 66.A N TYR 73.A O no hydrogen 2.765 N/A ASN 70.A ND2 GLY 39.A O no hydrogen 3.637 N/A LYS 71.A N THR 68.A O no hydrogen 2.813 N/A LEU 72.A N ILE 35.A O no hydrogen 3.365 N/A TYR 73.A N ILE 66.A O no hydrogen 2.833 N/A LEU 74.A N LYS 33.A O.A no hydrogen 2.681 N/A LEU 74.A N LYS 33.A O.B no hydrogen 2.559 N/A VAL 75.A N ASP 64.A O no hydrogen 2.816 N/A PHE 76.A N ALA 31.A O no hydrogen 2.845 N/A GLU 77.A N LYS 61.A O no hydrogen 2.960 N/A LEU 83.A N LEU 129.A O no hydrogen 2.754 N/A LYS 84.A NZ ASP 88.A OD1 no hydrogen 3.445 N/A LYS 84.A NZ ASP 88.A OD2 no hydrogen 2.678 N/A LYS 85.A N ASP 82.A OD1 no hydrogen 2.870 N/A PHE 86.A N ASP 82.A O no hydrogen 3.262 N/A MET 87.A N LEU 83.A O no hydrogen 2.800 N/A ASP 88.A N LYS 84.A O no hydrogen 2.894 N/A ALA 89.A N LYS 85.A O no hydrogen 2.897 N/A SER 90.A N MET 87.A O no hydrogen 2.781 N/A SER 90.A OG PHE 86.A O no hydrogen 2.915 N/A ALA 91.A N ASP 88.A O no hydrogen 3.241 N/A THR 93.A OG1 SER 90.A O no hydrogen 3.537 N/A THR 93.A OG1 GLY 94.A O no hydrogen 3.346 N/A GLY 94.A N SER 90.A O no hydrogen 2.381 N/A LEU 99.A N PRO 96.A O no hydrogen 3.041 N/A ILE 100.A N PRO 96.A O no hydrogen 2.993 N/A LYS 101.A N LEU 97.A O no hydrogen 2.848 N/A LYS 101.A NZ PHE 281.A O no hydrogen 3.110 N/A LYS 101.A NZ ASP 284.A OD1 no hydrogen 2.697 N/A SER 102.A N PRO 98.A O no hydrogen 3.107 N/A SER 102.A OG THR 286.A O no hydrogen 3.455 N/A TYR 103.A N LEU 99.A O no hydrogen 2.884 N/A LEU 104.A N ILE 100.A O no hydrogen 2.981 N/A PHE 105.A N LYS 101.A O no hydrogen 3.071 N/A GLN 106.A N SER 102.A O no hydrogen 3.004 N/A GLN 106.A NE2 SER 102.A O no hydrogen 3.532 N/A GLN 106.A NE2 SER 102.A OG no hydrogen 3.063 N/A GLN 106.A NE2 GLY 135.A O no hydrogen 2.912 N/A LEU 107.A N TYR 103.A O no hydrogen 2.897 N/A LEU 108.A N LEU 104.A O no hydrogen 2.846 N/A GLN 109.A N PHE 105.A O no hydrogen 3.091 N/A GLN 109.A NE2 PHE 105.A O no hydrogen 3.440 N/A GLY 110.A N GLN 106.A O no hydrogen 3.012 N/A LEU 111.A N LEU 107.A O no hydrogen 2.886 N/A ALA 112.A N LEU 108.A O no hydrogen 2.790 N/A PHE 113.A N GLN 109.A O no hydrogen 2.922 N/A CYS 114.A N GLY 110.A O no hydrogen 3.001 N/A CYS 114.A SG GLY 110.A O no hydrogen 3.688 N/A HIS 115.A N LEU 111.A O no hydrogen 2.725 N/A SER 116.A N ALA 112.A O no hydrogen 2.972 N/A SER 116.A OG ALA 112.A O no hydrogen 3.361 N/A SER 116.A OG PHE 113.A O no hydrogen 2.833 N/A SER 116.A OG HIS 117.A ND1 no hydrogen 3.192 N/A HIS 117.A N CYS 114.A O no hydrogen 3.228 N/A HIS 117.A ND1 SER 116.A OG no hydrogen 3.192 N/A ARG 118.A N HIS 115.A O no hydrogen 3.269 N/A VAL 119.A N CYS 114.A O no hydrogen 2.855 N/A HIS 121.A N ASP 181.A OD2 no hydrogen 2.769 N/A ARG 122.A N ASP 181.A OD1 no hydrogen 2.819 N/A ARG 122.A NH1 ARG 122.A O no hydrogen 2.644 N/A LYS 125.A N ASN 128.A OD1 no hydrogen 3.059 N/A LYS 125.A NZ ASP 123.A OD2 no hydrogen 2.621 N/A ASN 128.A N LYS 125.A O no hydrogen 2.873 N/A ASN 128.A ND2 ASP 123.A O no hydrogen 2.911 N/A LEU 129.A N PRO 126.A O no hydrogen 3.389 N/A LEU 130.A N LYS 138.A O no hydrogen 2.741 N/A ILE 131.A N GLN 81.A O no hydrogen 2.721 N/A ASN 132.A N ALA 136.A O no hydrogen 3.279 N/A THR 133.A OG1 GLU 134.A OE1 no hydrogen 2.876 N/A THR 133.A OG1 GLU 134.A OE2 no hydrogen 3.564 N/A GLU 134.A N ASN 132.A OD1 no hydrogen 2.687 N/A GLY 135.A N ASN 132.A O no hydrogen 3.201 N/A ALA 136.A N ASN 132.A OD1 no hydrogen 3.171 N/A ILE 137.A N GLN 106.A OE1 no hydrogen 3.086 N/A LYS 138.A N LEU 130.A O no hydrogen 2.562 N/A LYS 138.A NZ GLU 77.A OE1 no hydrogen 2.788 N/A LYS 138.A NZ GLU 77.A OE2 no hydrogen 3.242 N/A LEU 139.A N ASN 58.A O no hydrogen 3.116 N/A ALA 140.A N ASN 128.A O no hydrogen 2.890 N/A ALA 147.A N LEU 144.A O no hydrogen 3.245 N/A PHE 148.A N LEU 144.A O no hydrogen 3.184 N/A THR 156.A OG1 GLU 12.A OE1 no hydrogen 3.093 N/A HIS 157.A N THR 154.A O no hydrogen 2.823 N/A TRP 163.A NE1 GLY 201.A O no hydrogen 2.795 N/A TYR 164.A OH GLU 191.A OE1 no hydrogen 2.563 N/A ARG 165.A N LEU 162.A O no hydrogen 3.017 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.594 N/A ILE 169.A N ALA 166.A O no hydrogen 2.940 N/A LEU 170.A N ALA 166.A O no hydrogen 3.274 N/A LEU 171.A N PRO 167.A O no hydrogen 2.827 N/A GLY 172.A N ILE 169.A O no hydrogen 3.148 N/A CYS 173.A N GLU 168.A O no hydrogen 2.952 N/A ALA 179.A N SER 177.A OG no hydrogen 3.274 N/A VAL 180.A N SER 177.A O no hydrogen 3.077 N/A ASP 181.A N THR 178.A O no hydrogen 3.094 N/A TRP 183.A N ALA 179.A O no hydrogen 3.117 N/A SER 184.A N VAL 180.A O no hydrogen 3.175 N/A SER 184.A OG TYR 164.A O no hydrogen 2.795 N/A SER 184.A OG VAL 180.A O no hydrogen 3.112 N/A LEU 185.A N ASP 181.A O no hydrogen 2.936 N/A GLY 186.A N ILE 182.A O no hydrogen 2.943 N/A CYS 187.A N TRP 183.A O no hydrogen 2.997 N/A CYS 187.A SG TRP 183.A O no hydrogen 3.382 N/A ILE 188.A N SER 184.A O no hydrogen 2.900 N/A PHE 189.A N LEU 185.A O no hydrogen 2.767 N/A ALA 190.A N GLY 186.A O no hydrogen 2.949 N/A GLU 191.A N CYS 187.A O no hydrogen 3.042 N/A MET 192.A N ILE 188.A O no hydrogen 2.933 N/A VAL 193.A N PHE 189.A O no hydrogen 3.221 N/A THR 194.A N ALA 190.A O no hydrogen 3.000 N/A THR 194.A OG1 ALA 190.A O no hydrogen 3.299 N/A ARG 195.A N GLU 191.A O no hydrogen 2.695 N/A ARG 195.A NH1 ALA 91.A O no hydrogen 2.920 N/A GLY 201.A N PHE 199.A O no hydrogen 2.951 N/A GLY 201.A N GLN 207.A OE1 no hydrogen 2.954 N/A ASP 202.A N ASP 206.A OD2 no hydrogen 2.722 N/A ASP 206.A N SER 203.A OG no hydrogen 3.067 N/A GLN 207.A N SER 203.A O no hydrogen 2.771 N/A GLN 207.A NE2 PHE 199.A O no hydrogen 3.164 N/A LEU 208.A N GLU 204.A O no hydrogen 2.989 N/A PHE 209.A N ILE 205.A O no hydrogen 2.821 N/A ARG 210.A N ASP 206.A O no hydrogen 3.101 N/A ARG 210.A NE ASP 206.A OD2 no hydrogen 3.479 N/A ILE 211.A N GLN 207.A O no hydrogen 3.272 N/A PHE 212.A N LEU 208.A O no hydrogen 3.014 N/A ARG 213.A N PHE 209.A O no hydrogen 2.925 N/A THR 214.A N ARG 210.A O no hydrogen 3.298 N/A THR 214.A N ILE 211.A O no hydrogen 3.152 N/A THR 214.A OG1 ARG 210.A O no hydrogen 3.465 N/A LEU 215.A N ILE 211.A O no hydrogen 2.818 N/A GLY 216.A N PHE 212.A O no hydrogen 2.517 N/A THR 217.A N TRP 239.A O no hydrogen 3.060 N/A THR 217.A OG1 PRO 237.A O no hydrogen 2.829 N/A VAL 222.A N ASP 219.A OD1 no hydrogen 2.905 N/A TRP 223.A N ASP 219.A O no hydrogen 2.778 N/A GLY 225.A N GLU 220.A OE1 no hydrogen 2.637 N/A GLY 225.A N GLU 220.A OE2 no hydrogen 3.170 N/A VAL 226.A N TRP 223.A O no hydrogen 3.016 N/A THR 227.A N GLU 220.A OE2 no hydrogen 2.994 N/A THR 227.A OG1 GLU 220.A OE2 no hydrogen 2.516 N/A SER 228.A N GLY 225.A O no hydrogen 2.915 N/A MET 229.A N VAL 226.A O no hydrogen 2.973 N/A ASP 231.A N LEU 171.A O no hydrogen 2.937 N/A TYR 232.A N MET 229.A O no hydrogen 3.204 N/A PHE 236.A N LYS 233.A O no hydrogen 2.762 N/A LYS 238.A NZ TYR 232.A OH no hydrogen 3.122 N/A LYS 238.A NZ PHE 236.A O no hydrogen 3.411 N/A TRP 239.A N THR 217.A OG1 no hydrogen 2.828 N/A ARG 241.A NH1 LEU 215.A O no hydrogen 3.041 N/A GLN 242.A N THR 214.A O no hydrogen 2.937 N/A SER 245.A N ASP 243.A OD1 no hydrogen 2.673 N/A SER 245.A OG ASP 243.A OD1 no hydrogen 2.595 N/A LYS 246.A N ASP 243.A O no hydrogen 3.079 N/A VAL 247.A N PHE 244.A O no hydrogen 3.078 N/A VAL 248.A N PHE 244.A O no hydrogen 3.099 N/A LEU 251.A N VAL 248.A O no hydrogen 3.082 N/A GLY 255.A N ASP 252.A OD1 no hydrogen 2.771 N/A ARG 256.A N ASP 252.A O no hydrogen 2.844 N/A SER 257.A N GLU 253.A O no hydrogen 2.799 N/A SER 257.A OG HIS 279.A NE2 no hydrogen 3.252 N/A LEU 258.A N ASP 254.A O no hydrogen 2.942 N/A LEU 259.A N GLY 255.A O no hydrogen 2.858 N/A SER 260.A N ARG 256.A O no hydrogen 3.015 N/A GLN 261.A N SER 257.A O no hydrogen 3.200 N/A MET 262.A N LEU 258.A O no hydrogen 3.042 N/A MET 262.A N LEU 259.A O no hydrogen 3.048 N/A LEU 263.A N SER 260.A O no hydrogen 3.244 N/A HIS 264.A ND1 LYS 269.A O no hydrogen 3.176 N/A TYR 265.A OH GLY 216.A O no hydrogen 2.527 N/A ASN 268.A N ASP 266.A OD1 no hydrogen 2.738 N/A LYS 269.A N ASP 266.A O no hydrogen 2.770 N/A LYS 269.A NZ ASP 266.A OD2 no hydrogen 3.026 N/A ARG 270.A N ASP 266.A O no hydrogen 3.074 N/A ARG 270.A NE HIS 264.A O no hydrogen 2.844 N/A ARG 270.A NH1 GLU 168.A OE1 no hydrogen 3.562 N/A ARG 270.A NH1 GLU 168.A OE2 no hydrogen 2.704 N/A ARG 270.A NH1 ALA 179.A O no hydrogen 2.862 N/A ARG 270.A NH2 GLU 168.A OE1 no hydrogen 2.918 N/A ARG 270.A NH2 HIS 264.A O no hydrogen 3.170 N/A ARG 270.A NH2 TYR 265.A O no hydrogen 2.883 N/A ILE 271.A N GLN 261.A O no hydrogen 3.097 N/A ALA 275.A N SER 272.A OG no hydrogen 3.166 N/A ALA 276.A N SER 272.A O no hydrogen 2.910 N/A LEU 277.A N ALA 273.A O no hydrogen 3.202 N/A LEU 277.A N LYS 274.A O no hydrogen 3.171 N/A ALA 278.A N ALA 275.A O no hydrogen 2.960 N/A HIS 279.A N ALA 276.A O no hydrogen 3.107 N/A HIS 279.A NE2 SER 257.A OG no hydrogen 3.252 N/A PHE 281.A N HIS 279.A ND1 no hydrogen 2.986 N/A PHE 282.A N HIS 279.A O no hydrogen 3.028 N/A GLN 283.A N PRO 280.A O no hydrogen 3.143 N/A VAL 285.A N PHE 282.A O no hydrogen 3.196 N/A