Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2itp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 9.A NH1 TYR 303.A OH no hydrogen 3.418 N/A ARG 9.A NH2 TYR 303.A OH no hydrogen 3.317 N/A LEU 11.A N ILE 84.A O no hydrogen 2.819 N/A LYS 12.A N GLU 15.A OE2 no hydrogen 3.175 N/A GLU 15.A N LYS 12.A O no hydrogen 2.897 N/A PHE 16.A N GLU 13.A O no hydrogen 3.270 N/A LYS 17.A N LEU 34.A O no hydrogen 2.885 N/A LYS 18.A NZ GLU 50.A OE2 no hydrogen 3.234 N/A LYS 18.A NZ GLN 91.A OE1 no hydrogen 3.148 N/A ILE 19.A N LYS 32.A O no hydrogen 3.246 N/A LYS 20.A NZ VAL 21.A O no hydrogen 3.525 N/A LEU 22.A N VAL 30.A O no hydrogen 2.753 N/A SER 23.A N VAL 30.A O no hydrogen 3.427 N/A THR 29.A N GLU 50.A O no hydrogen 3.103 N/A VAL 30.A N SER 23.A O no hydrogen 2.940 N/A TYR 31.A N ILE 48.A O no hydrogen 2.861 N/A LYS 32.A N LYS 20.A O no hydrogen 3.034 N/A LEU 34.A N LYS 17.A O no hydrogen 2.850 N/A TRP 35.A N ILE 44.A O no hydrogen 3.073 N/A ILE 36.A N GLU 15.A O no hydrogen 2.797 N/A LYS 41.A NZ ASP 296.A OD2 no hydrogen 3.532 N/A LYS 43.A N ASP 296.A O no hydrogen 3.052 N/A LYS 43.A NZ ASP 293.A O no hydrogen 3.136 N/A ILE 44.A N TRP 35.A O no hydrogen 3.061 N/A VAL 46.A N GLY 33.A O no hydrogen 2.896 N/A ALA 47.A N THR 94.A O no hydrogen 2.766 N/A ILE 48.A N TYR 31.A O no hydrogen 3.029 N/A LYS 49.A N LEU 92.A O no hydrogen 2.719 N/A LYS 49.A NZ GLU 66.A OE1 no hydrogen 2.967 N/A GLU 50.A N THR 29.A O no hydrogen 3.065 N/A THR 55.A OG1 GLU 53.A O no hydrogen 3.540 N/A ALA 59.A N SER 56.A OG no hydrogen 3.368 N/A ASN 60.A ND2 SER 56.A O no hydrogen 3.286 N/A LYS 61.A N LYS 58.A O no hydrogen 3.081 N/A LYS 61.A NZ ASP 65.A OD2 no hydrogen 3.308 N/A GLU 62.A N ALA 59.A O no hydrogen 2.846 N/A ILE 63.A N ALA 59.A O no hydrogen 3.268 N/A ASP 65.A N GLU 62.A O no hydrogen 2.796 N/A GLU 66.A N GLU 62.A O no hydrogen 3.171 N/A ALA 67.A N ILE 63.A O no hydrogen 3.202 N/A TYR 68.A N LEU 64.A O no hydrogen 3.004 N/A VAL 69.A N ASP 65.A O no hydrogen 2.811 N/A MET 70.A N GLU 66.A O no hydrogen 2.644 N/A ALA 71.A N ALA 67.A O no hydrogen 2.853 N/A SER 72.A N VAL 69.A O no hydrogen 2.973 N/A SER 72.A OG ASN 4.A OD1 no hydrogen 3.079 N/A SER 72.A OG TYR 68.A O no hydrogen 2.577 N/A ASP 74.A N TYR 131.A OH no hydrogen 2.756 N/A HIS 77.A N ASN 75.A OD1 no hydrogen 2.932 N/A HIS 77.A ND1 VAL 155.A O no hydrogen 3.104 N/A VAL 78.A N ASN 75.A O no hydrogen 3.167 N/A CYS 79.A N.A ILE 157.A O no hydrogen 2.845 N/A CYS 79.A N.B ILE 157.A O no hydrogen 2.857 N/A CYS 79.A SG.A LYS 156.A O no hydrogen 3.959 N/A CYS 79.A SG.A ILE 157.A O no hydrogen 3.564 N/A CYS 79.A SG.B THR 94.A OG1 no hydrogen 3.717 N/A LEU 81.A N MET 70.A O no hydrogen 3.280 N/A LEU 82.A N ILE 93.A O no hydrogen 2.783 N/A GLY 83.A N ILE 93.A O no hydrogen 3.478 N/A ILE 84.A N ARG 9.A O no hydrogen 2.787 N/A CYS 85.A N GLN 91.A O no hydrogen 2.858 N/A CYS 85.A SG LEU 11.A O no hydrogen 3.144 N/A THR 87.A OG1 THR 89.A O no hydrogen 2.269 N/A GLN 91.A N CYS 85.A O no hydrogen 2.943 N/A LEU 92.A N LYS 49.A O no hydrogen 2.827 N/A ILE 93.A N GLY 83.A O no hydrogen 2.983 N/A THR 94.A N ALA 47.A O no hydrogen 2.685 N/A THR 94.A OG1 ARG 80.A O no hydrogen 2.730 N/A GLN 95.A NE2 ASP 299.A OD1 no hydrogen 2.728 N/A LEU 96.A N PRO 45.A O no hydrogen 3.146 N/A PHE 99.A N VAL 149.A O no hydrogen 3.178 N/A GLY 100.A N MET 97.A O no hydrogen 2.955 N/A LEU 102.A N VAL 147.A O no hydrogen 2.784 N/A LEU 103.A N ALA 144.A O no hydrogen 3.210 N/A TYR 105.A N LEU 102.A O no hydrogen 3.014 N/A VAL 106.A N LEU 102.A O no hydrogen 2.976 N/A ARG 107.A N LEU 103.A O no hydrogen 3.306 N/A ARG 107.A NE GLY 215.A O no hydrogen 3.026 N/A ARG 107.A NH2 GLY 215.A O no hydrogen 2.898 N/A GLU 108.A N ASP 104.A O no hydrogen 2.970 N/A HIS 109.A N VAL 106.A O no hydrogen 2.831 N/A HIS 109.A ND1 TYR 105.A O no hydrogen 3.078 N/A LYS 110.A NZ PHE 214.A O no hydrogen 3.124 N/A ASN 112.A N HIS 109.A O no hydrogen 2.638 N/A ILE 113.A N LYS 110.A O no hydrogen 3.192 N/A SER 115.A N ASP 288.A OD2 no hydrogen 3.369 N/A SER 115.A OG ASP 288.A OD1 no hydrogen 3.049 N/A SER 115.A OG ASP 288.A OD2 no hydrogen 3.526 N/A GLN 116.A NE2 GLN 116.A O no hydrogen 3.603 N/A GLN 116.A NE2 ASN 120.A OD1 no hydrogen 3.241 N/A GLN 116.A NE2 ALA 276.A O no hydrogen 3.161 N/A TYR 117.A N GLY 114.A O no hydrogen 2.836 N/A TYR 117.A OH GLN 153.A OE1 no hydrogen 3.281 N/A LEU 118.A N GLY 114.A O no hydrogen 3.188 N/A LEU 119.A N SER 115.A O no hydrogen 2.973 N/A ASN 120.A N GLN 116.A O no hydrogen 3.070 N/A TRP 121.A N TYR 117.A O no hydrogen 2.821 N/A TRP 121.A NE1 PRO 152.A O no hydrogen 2.630 N/A CYS 122.A N LEU 118.A O no hydrogen 3.094 N/A CYS 122.A SG LEU 118.A O no hydrogen 3.228 N/A VAL 123.A N LEU 119.A O no hydrogen 2.954 N/A GLN 124.A N ASN 120.A O no hydrogen 2.899 N/A GLN 124.A NE2 GLN 153.A O no hydrogen 2.953 N/A ILE 125.A N TRP 121.A O no hydrogen 2.861 N/A ALA 126.A N CYS 122.A O no hydrogen 3.001 N/A LYS 127.A N VAL 123.A O no hydrogen 2.888 N/A GLY 128.A N GLN 124.A O no hydrogen 3.025 N/A MET 129.A N ILE 125.A O no hydrogen 2.931 N/A ASN 130.A N ALA 126.A O no hydrogen 2.686 N/A TYR 131.A N LYS 127.A O no hydrogen 2.935 N/A LEU 132.A N GLY 128.A O no hydrogen 2.823 N/A GLU 133.A N MET 129.A O no hydrogen 2.861 N/A ASP 134.A N ASN 130.A O no hydrogen 2.909 N/A ARG 135.A N TYR 131.A O no hydrogen 3.066 N/A ARG 136.A N GLU 133.A O no hydrogen 2.649 N/A ARG 136.A NH2 LEU 166.A O no hydrogen 2.711 N/A LEU 137.A N LEU 132.A O no hydrogen 2.808 N/A VAL 138.A N LYS 164.A O no hydrogen 2.985 N/A HIS 139.A N ASP 200.A OD1 no hydrogen 2.687 N/A HIS 139.A NE2 THR 158.A O no hydrogen 2.778 N/A ARG 140.A N ASP 200.A OD2 no hydrogen 3.066 N/A ARG 140.A NH1 LEU 162.A O no hydrogen 2.641 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 2.883 N/A ALA 144.A N GLU 210.A OE2 no hydrogen 2.974 N/A ARG 145.A NH1 ASP 141.A OD1 no hydrogen 2.864 N/A ASN 146.A N ALA 143.A O no hydrogen 2.862 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.622 N/A ASN 146.A ND2 ASP 141.A OD2 no hydrogen 2.978 N/A VAL 147.A N ALA 144.A O no hydrogen 3.329 N/A LEU 148.A N LYS 156.A O no hydrogen 2.658 N/A VAL 149.A N GLY 100.A O no hydrogen 2.813 N/A LYS 150.A N HIS 154.A O no hydrogen 3.087 N/A LYS 150.A NZ ASP 299.A OD2 no hydrogen 3.350 N/A LYS 150.A NZ ASP 301.A OD2 no hydrogen 2.377 N/A THR 151.A N HIS 154.A O no hydrogen 3.493 N/A HIS 154.A N THR 151.A O no hydrogen 2.693 N/A HIS 154.A NE2 PRO 76.A O no hydrogen 2.847 N/A VAL 155.A N GLN 124.A OE1 no hydrogen 2.835 N/A LYS 156.A N LEU 148.A O no hydrogen 2.931 N/A LYS 156.A NZ GLN 95.A OE1 no hydrogen 2.952 N/A LYS 156.A NZ ASP 301.A OD1 no hydrogen 2.872 N/A LYS 156.A NZ ASP 301.A OD2 no hydrogen 3.214 N/A ILE 157.A N HIS 77.A O no hydrogen 2.927 N/A THR 158.A N ASN 146.A O no hydrogen 2.735 N/A ASP 159.A N THR 158.A OG1 no hydrogen 2.618 N/A ALA 163.A N PHE 160.A O no hydrogen 2.766 N/A LYS 164.A N VAL 138.A O no hydrogen 2.912 N/A LEU 166.A N ARG 136.A O no hydrogen 3.166 N/A GLY 167.A N GLU 170.A OE1 no hydrogen 3.201 N/A GLU 170.A N GLY 167.A O no hydrogen 3.013 N/A TYR 173.A N TYR 195.A O no hydrogen 2.993 N/A LYS 183.A NZ PRO 218.A O no hydrogen 3.542 N/A LYS 183.A NZ TYR 219.A O no hydrogen 3.318 N/A LYS 183.A NZ ILE 222.A O no hydrogen 3.412 N/A TRP 184.A N PRO 181.A O no hydrogen 3.452 N/A TRP 184.A NE1 GLU 210.A OE2 no hydrogen 2.713 N/A MET 185.A N ILE 182.A O no hydrogen 2.906 N/A SER 189.A N ALA 186.A O no hydrogen 3.316 N/A SER 189.A OG ILE 194.A O no hydrogen 2.603 N/A ILE 190.A N ALA 186.A O no hydrogen 3.309 N/A LEU 191.A N LEU 187.A O no hydrogen 2.985 N/A HIS 192.A N GLU 188.A O no hydrogen 3.117 N/A ILE 194.A N GLU 188.A O no hydrogen 3.077 N/A TYR 195.A N TYR 173.A O no hydrogen 3.318 N/A THR 196.A N SER 199.A OG no hydrogen 2.690 N/A GLN 198.A NE2 ALA 259.A O no hydrogen 3.317 N/A GLN 198.A NE2 PRO 263.A O no hydrogen 3.090 N/A SER 199.A N THR 196.A O no hydrogen 2.825 N/A SER 199.A OG THR 196.A O no hydrogen 2.843 N/A ASP 200.A N THR 196.A O no hydrogen 3.092 N/A VAL 201.A N HIS 197.A O no hydrogen 2.924 N/A TRP 202.A N GLN 198.A O no hydrogen 3.361 N/A SER 203.A N SER 199.A O no hydrogen 3.371 N/A SER 203.A OG TRP 184.A O no hydrogen 2.590 N/A SER 203.A OG SER 199.A O no hydrogen 3.255 N/A TYR 204.A N ASP 200.A O no hydrogen 2.888 N/A TYR 204.A OH CYS 122.A O no hydrogen 2.542 N/A GLY 205.A N VAL 201.A O no hydrogen 2.972 N/A VAL 206.A N TRP 202.A O no hydrogen 3.218 N/A THR 207.A N SER 203.A O no hydrogen 2.768 N/A THR 207.A OG1 SER 203.A O no hydrogen 2.741 N/A VAL 208.A N TYR 204.A O no hydrogen 2.633 N/A TRP 209.A N GLY 205.A O no hydrogen 2.908 N/A TRP 209.A NE1 PRO 238.A O no hydrogen 2.775 N/A GLU 210.A N VAL 206.A O no hydrogen 2.733 N/A LEU 211.A N THR 207.A O no hydrogen 2.943 N/A MET 212.A N VAL 208.A O no hydrogen 2.836 N/A THR 213.A N TRP 209.A O no hydrogen 2.996 N/A THR 213.A N GLU 210.A O no hydrogen 3.211 N/A THR 213.A OG1 TRP 209.A O no hydrogen 3.162 N/A THR 213.A OG1 GLU 210.A O no hydrogen 3.334 N/A PHE 214.A N LEU 211.A O no hydrogen 2.934 N/A GLY 215.A N GLU 210.A O no hydrogen 2.785 N/A SER 216.A N THR 213.A OG1 no hydrogen 2.948 N/A SER 216.A OG THR 213.A O no hydrogen 3.348 N/A ASP 220.A N LYS 217.A O no hydrogen 3.190 N/A GLU 226.A N PRO 223.A O no hydrogen 2.854 N/A ILE 227.A N ALA 224.A O no hydrogen 3.254 N/A SER 229.A N GLU 226.A O no hydrogen 2.769 N/A ILE 230.A N GLU 226.A O no hydrogen 3.164 N/A LEU 231.A N ILE 227.A O no hydrogen 2.914 N/A GLU 232.A N SER 229.A O no hydrogen 2.686 N/A LYS 233.A N SER 229.A O no hydrogen 2.818 N/A GLU 235.A N ILE 230.A O no hydrogen 3.344 N/A ARG 236.A NE GLU 235.A O no hydrogen 2.397 N/A ARG 236.A NH2 LEU 231.A O no hydrogen 2.861 N/A GLN 239.A NE2 CYS 243.A O no hydrogen 3.082 N/A CYS 243.A N PRO 240.A O no hydrogen 2.685 N/A THR 244.A N TYR 282.A O no hydrogen 3.305 N/A THR 244.A OG1 TYR 282.A O no hydrogen 2.659 N/A VAL 247.A N THR 244.A O no hydrogen 3.081 N/A TYR 248.A N THR 244.A O no hydrogen 3.156 N/A TYR 248.A OH LEU 237.A O no hydrogen 2.431 N/A MET 249.A N ILE 245.A O no hydrogen 2.939 N/A MET 251.A N VAL 247.A O no hydrogen 3.241 N/A VAL 252.A N TYR 248.A O no hydrogen 3.014 N/A LYS 253.A N MET 249.A O no hydrogen 3.017 N/A CYS 254.A N ILE 250.A O no hydrogen 3.303 N/A CYS 254.A SG ILE 250.A O no hydrogen 3.513 N/A TRP 255.A N VAL 252.A O no hydrogen 2.972 N/A MET 256.A N LYS 253.A O no hydrogen 3.307 N/A SER 261.A N ASP 258.A O no hydrogen 2.775 N/A SER 261.A OG ASP 258.A OD2 no hydrogen 3.156 N/A ARG 262.A N ALA 259.A O no hydrogen 3.297 N/A ARG 262.A NE MET 256.A O no hydrogen 2.842 N/A ARG 262.A NH1 GLU 188.A OE2 no hydrogen 2.454 N/A ARG 262.A NH1 MET 256.A O no hydrogen 2.705 N/A ARG 262.A NH2 GLU 188.A OE1 no hydrogen 3.247 N/A ARG 262.A NH2 GLN 198.A O no hydrogen 2.924 N/A LYS 264.A N GLU 267.A OE1 no hydrogen 2.890 N/A GLU 267.A N LYS 264.A O no hydrogen 2.703 N/A LEU 268.A N LYS 264.A O no hydrogen 3.058 N/A ILE 269.A N PHE 265.A O no hydrogen 3.015 N/A ILE 270.A N ARG 266.A O no hydrogen 3.328 N/A GLU 271.A N GLU 267.A O no hydrogen 2.771 N/A PHE 272.A N LEU 268.A O no hydrogen 2.901 N/A SER 273.A N ILE 269.A O no hydrogen 2.835 N/A LYS 274.A N ILE 270.A O no hydrogen 2.984 N/A LYS 274.A NZ GLU 271.A OE1 no hydrogen 3.279 N/A MET 275.A N GLU 271.A O no hydrogen 3.196 N/A ALA 276.A N PHE 272.A O no hydrogen 2.625 N/A ARG 277.A N LYS 274.A O no hydrogen 2.882 N/A ASP 278.A N MET 275.A O no hydrogen 2.960 N/A ARG 281.A N ASP 278.A O no hydrogen 2.961 N/A TYR 282.A N PRO 279.A O no hydrogen 3.113 N/A LEU 283.A N PRO 279.A O no hydrogen 2.877 N/A VAL 284.A N ILE 242.A O no hydrogen 2.771 N/A ASP 288.A N ILE 285.A O no hydrogen 3.189 N/A VAL 298.A N LYS 43.A O no hydrogen 2.946 N/A ASP 301.A N ASP 299.A OD2 no hydrogen 2.605 N/A GLU 302.A N ASP 299.A O no hydrogen 2.806 N/A TYR 303.A N ALA 300.A O no hydrogen 2.961 N/A TYR 303.A OH GLU 40.A OE2 no hydrogen 1.825 N/A