Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pp0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N PRO 2.A O no hydrogen 3.062 N/A ALA 5.A N ASN 3.A OD1 no hydrogen 3.236 N/A LEU 10.A N ILE 83.A O no hydrogen 2.801 N/A LYS 11.A N GLU 14.A OE1 no hydrogen 3.050 N/A GLU 14.A N LYS 11.A O no hydrogen 2.917 N/A LEU 15.A N GLU 12.A O no hydrogen 3.100 N/A ARG 16.A N ILE 33.A O no hydrogen 2.936 N/A LYS 17.A NZ GLN 90.A OE1 no hydrogen 2.723 N/A VAL 18.A N LYS 31.A O no hydrogen 2.840 N/A LEU 21.A N VAL 29.A O no hydrogen 2.772 N/A GLY 22.A N VAL 29.A O no hydrogen 3.340 N/A GLY 24.A N GLY 27.A O no hydrogen 2.821 N/A ALA 25.A N ASP 158.A OD1 no hydrogen 3.315 N/A ALA 25.A N ASP 158.A OD2 no hydrogen 2.788 N/A THR 28.A N VAL 49.A O no hydrogen 3.022 N/A VAL 29.A N GLY 22.A O no hydrogen 2.892 N/A TYR 30.A N ILE 47.A O no hydrogen 2.709 N/A LYS 31.A N LYS 19.A O no hydrogen 2.727 N/A GLY 32.A N VAL 45.A O no hydrogen 2.732 N/A ILE 33.A N ARG 16.A O no hydrogen 2.994 N/A TRP 34.A N ILE 43.A O no hydrogen 2.857 N/A TRP 34.A NE1 GLU 14.A OE2 no hydrogen 2.842 N/A ILE 35.A N GLU 14.A O no hydrogen 2.843 N/A ASP 37.A N GLU 14.A OE2 no hydrogen 3.304 N/A GLU 39.A N PRO 36.A O no hydrogen 2.917 N/A ASN 40.A N ASN 40.A OD1 no hydrogen 2.558 N/A ILE 43.A N TRP 34.A O no hydrogen 2.969 N/A VAL 45.A N GLY 32.A O no hydrogen 2.828 N/A ALA 46.A N THR 93.A O no hydrogen 2.960 N/A ILE 47.A N TYR 30.A O no hydrogen 2.735 N/A LYS 48.A N LEU 91.A O no hydrogen 2.759 N/A LYS 48.A NZ ALA 25.A O no hydrogen 2.746 N/A LYS 48.A NZ ASP 158.A OD1 no hydrogen 3.181 N/A LYS 48.A NZ ASP 158.A OD2 no hydrogen 2.888 N/A VAL 49.A N THR 28.A O no hydrogen 2.771 N/A LEU 50.A N VAL 89.A O no hydrogen 3.149 N/A THR 54.A OG1 ASN 59.A OD1 no hydrogen 3.342 N/A LYS 57.A NZ GLU 61.A OE1 no hydrogen 2.811 N/A ALA 58.A N SER 55.A OG no hydrogen 3.220 N/A ASN 59.A N SER 55.A O no hydrogen 2.951 N/A LYS 60.A N PRO 56.A O no hydrogen 2.884 N/A GLU 61.A N LYS 57.A O no hydrogen 2.903 N/A ILE 62.A N ALA 58.A O no hydrogen 2.831 N/A LEU 63.A N ASN 59.A O no hydrogen 3.019 N/A ASP 64.A N LYS 60.A O no hydrogen 3.004 N/A GLU 65.A N GLU 61.A O no hydrogen 3.114 N/A ALA 66.A N ILE 62.A O no hydrogen 2.988 N/A TYR 67.A N LEU 63.A O no hydrogen 2.800 N/A VAL 68.A N ASP 64.A O no hydrogen 3.011 N/A MET 69.A N GLU 65.A O no hydrogen 2.807 N/A ALA 70.A N ALA 66.A O no hydrogen 3.144 N/A GLY 71.A N VAL 68.A O no hydrogen 3.343 N/A TYR 76.A N SER 74.A OG no hydrogen 3.024 N/A VAL 77.A N SER 74.A O no hydrogen 3.499 N/A SER 78.A N ILE 156.A O no hydrogen 2.840 N/A SER 78.A OG ILE 156.A O no hydrogen 3.339 N/A SER 78.A OG THR 157.A OG1 no hydrogen 2.833 N/A LEU 80.A N MET 69.A O no hydrogen 2.818 N/A LEU 81.A N VAL 92.A O no hydrogen 2.824 N/A GLY 82.A N VAL 92.A O no hydrogen 3.340 N/A ILE 83.A N ARG 8.A O no hydrogen 2.788 N/A CYS 84.A N GLN 90.A O no hydrogen 2.749 N/A CYS 84.A SG LEU 10.A O no hydrogen 3.361 N/A THR 86.A OG1 THR 88.A O no hydrogen 2.604 N/A GLN 90.A N CYS 84.A O no hydrogen 2.893 N/A LEU 91.A N LYS 48.A O no hydrogen 2.799 N/A VAL 92.A N GLY 82.A O no hydrogen 2.899 N/A THR 93.A N ALA 46.A O no hydrogen 3.060 N/A THR 93.A OG1 ARG 79.A O no hydrogen 2.622 N/A LEU 95.A N PRO 44.A O no hydrogen 3.307 N/A GLY 99.A N MET 96.A O no hydrogen 3.110 N/A CYS 100.A SG ASP 103.A OD1 no hydrogen 3.540 N/A LEU 101.A N VAL 146.A O no hydrogen 2.819 N/A HIS 104.A N CYS 100.A O no hydrogen 3.061 N/A VAL 105.A N LEU 101.A O no hydrogen 2.941 N/A ARG 106.A N LEU 102.A O no hydrogen 3.251 N/A ARG 106.A NE GLY 212.A O no hydrogen 2.778 N/A ARG 106.A NH2 GLY 212.A O no hydrogen 2.885 N/A GLU 107.A N ASP 103.A O no hydrogen 2.930 N/A ASN 108.A N HIS 104.A O no hydrogen 2.846 N/A ASN 108.A ND2 HIS 104.A O no hydrogen 2.733 N/A ARG 111.A N ASN 108.A O no hydrogen 2.793 N/A LEU 112.A N ASN 108.A O no hydrogen 3.138 N/A GLY 113.A N ASP 116.A OD1 no hydrogen 3.083 N/A SER 114.A OG VAL 280.A O no hydrogen 3.414 N/A GLN 115.A NE2 ASN 119.A OD1 no hydrogen 3.154 N/A GLN 115.A NE2 ALA 273.A O no hydrogen 2.881 N/A LEU 117.A N GLY 113.A O no hydrogen 3.205 N/A LEU 118.A N SER 114.A O no hydrogen 3.050 N/A ASN 119.A N GLN 115.A O no hydrogen 2.908 N/A TRP 120.A N ASP 116.A O no hydrogen 2.923 N/A TRP 120.A NE1 PRO 151.A O no hydrogen 2.779 N/A CYS 121.A N LEU 117.A O no hydrogen 3.004 N/A CYS 121.A SG LEU 117.A O no hydrogen 3.213 N/A MET 122.A N LEU 118.A O no hydrogen 2.955 N/A GLN 123.A N ASN 119.A O no hydrogen 2.780 N/A GLN 123.A NE2 ASN 152.A O no hydrogen 2.800 N/A ILE 124.A N TRP 120.A O no hydrogen 2.837 N/A ALA 125.A N CYS 121.A O no hydrogen 3.135 N/A LYS 126.A N MET 122.A O no hydrogen 2.802 N/A GLY 127.A N GLN 123.A O no hydrogen 2.806 N/A MET 128.A N ILE 124.A O no hydrogen 2.889 N/A SER 129.A N ALA 125.A O no hydrogen 2.720 N/A TYR 130.A N LYS 126.A O no hydrogen 2.983 N/A LEU 131.A N GLY 127.A O no hydrogen 3.075 N/A GLU 132.A N MET 128.A O no hydrogen 2.867 N/A ASP 133.A N SER 129.A O no hydrogen 3.089 N/A VAL 134.A N TYR 130.A O no hydrogen 3.117 N/A VAL 134.A N LEU 131.A O no hydrogen 3.140 N/A ARG 135.A N GLU 132.A O no hydrogen 2.954 N/A ARG 135.A NE LEU 165.A O no hydrogen 2.947 N/A ARG 135.A NH2 ASP 166.A O no hydrogen 2.527 N/A LEU 136.A N LEU 131.A O no hydrogen 2.816 N/A VAL 137.A N ARG 163.A O no hydrogen 3.081 N/A HIS 138.A N ASP 197.A OD1 no hydrogen 2.794 N/A HIS 138.A NE2 THR 157.A O no hydrogen 2.914 N/A ARG 139.A N ASP 197.A OD2 no hydrogen 2.922 N/A ARG 139.A NE LEU 161.A O no hydrogen 2.675 N/A ARG 139.A NH1 LEU 161.A O no hydrogen 3.113 N/A ASP 140.A N HIS 138.A ND1 no hydrogen 3.210 N/A ALA 143.A N GLU 207.A OE2 no hydrogen 2.908 N/A ARG 144.A NH1 ASP 140.A OD2 no hydrogen 3.305 N/A ASN 145.A N ALA 142.A O no hydrogen 2.743 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.877 N/A VAL 146.A N ALA 143.A O no hydrogen 3.209 N/A LEU 147.A N LYS 155.A O no hydrogen 2.633 N/A VAL 148.A N GLY 99.A O no hydrogen 2.918 N/A LYS 149.A N HIS 153.A O no hydrogen 2.891 N/A SER 150.A N HIS 153.A O no hydrogen 3.402 N/A SER 150.A OG ASN 152.A OD1 no hydrogen 3.256 N/A HIS 153.A N SER 150.A O no hydrogen 2.754 N/A HIS 153.A NE2 PRO 75.A O no hydrogen 2.651 N/A VAL 154.A N GLN 123.A OE1 no hydrogen 2.793 N/A LYS 155.A N LEU 147.A O no hydrogen 2.851 N/A LYS 155.A NZ PRO 75.A O no hydrogen 3.325 N/A ILE 156.A N TYR 76.A O no hydrogen 2.739 N/A THR 157.A N ASN 145.A O no hydrogen 2.770 N/A THR 157.A OG1 SER 78.A OG no hydrogen 2.833 N/A ASP 158.A N THR 157.A OG1 no hydrogen 2.537 N/A PHE 159.A N THR 157.A O no hydrogen 2.953 N/A GLY 160.A N ASP 158.A OD1 no hydrogen 2.859 N/A ALA 162.A N PHE 159.A O no hydrogen 3.038 N/A ARG 163.A N VAL 137.A O no hydrogen 2.986 N/A ARG 163.A NE TYR 172.A OH no hydrogen 3.102 N/A ARG 163.A NH1 ALA 162.A O no hydrogen 2.817 N/A LEU 165.A N ARG 135.A O no hydrogen 2.887 N/A GLU 169.A N ASP 166.A O no hydrogen 2.978 N/A TYR 172.A N PHE 192.A O no hydrogen 2.819 N/A ALA 174.A N ARG 190.A O no hydrogen 3.002 N/A LYS 180.A NZ TYR 216.A O no hydrogen 2.962 N/A LYS 180.A NZ ILE 219.A O no hydrogen 2.679 N/A TRP 181.A N PRO 178.A O no hydrogen 2.945 N/A TRP 181.A NE1 GLU 207.A OE2 no hydrogen 2.586 N/A MET 182.A N ILE 179.A O no hydrogen 3.035 N/A GLU 185.A N GLU 185.A OE2 no hydrogen 3.000 N/A SER 186.A N ALA 183.A O no hydrogen 2.973 N/A SER 186.A OG ARG 191.A O no hydrogen 2.701 N/A ILE 187.A N ALA 183.A O no hydrogen 3.082 N/A LEU 188.A N LEU 184.A O no hydrogen 2.928 N/A ARG 189.A N GLU 185.A O no hydrogen 2.956 N/A ARG 190.A N SER 186.A O no hydrogen 2.975 N/A ARG 190.A NE ALA 174.A O no hydrogen 3.319 N/A ARG 190.A NH1 ALA 174.A O no hydrogen 3.393 N/A ARG 191.A NE GLU 171.A OE1 no hydrogen 3.152 N/A ARG 191.A NE GLU 171.A OE2 no hydrogen 3.260 N/A PHE 192.A N TYR 172.A O no hydrogen 2.804 N/A THR 193.A N SER 196.A OG no hydrogen 3.248 N/A GLN 195.A NE2 SER 256.A O no hydrogen 3.486 N/A GLN 195.A NE2 PRO 260.A O no hydrogen 3.009 N/A SER 196.A N THR 193.A OG1 no hydrogen 3.118 N/A SER 196.A OG SER 186.A OG no hydrogen 3.321 N/A SER 196.A OG THR 193.A O no hydrogen 3.176 N/A ASP 197.A N THR 193.A O no hydrogen 3.175 N/A VAL 198.A N HIS 194.A O no hydrogen 3.095 N/A TRP 199.A N GLN 195.A O no hydrogen 3.408 N/A SER 200.A N SER 196.A O no hydrogen 3.306 N/A SER 200.A OG TRP 181.A O no hydrogen 2.660 N/A SER 200.A OG SER 196.A O no hydrogen 3.216 N/A TYR 201.A N ASP 197.A O no hydrogen 2.769 N/A TYR 201.A OH CYS 121.A O no hydrogen 2.600 N/A GLY 202.A N VAL 198.A O no hydrogen 2.966 N/A VAL 203.A N TRP 199.A O no hydrogen 3.182 N/A THR 204.A N SER 200.A O no hydrogen 2.900 N/A THR 204.A OG1 SER 200.A O no hydrogen 2.984 N/A VAL 205.A N TYR 201.A O no hydrogen 2.987 N/A TRP 206.A N GLY 202.A O no hydrogen 2.981 N/A TRP 206.A NE1 PRO 235.A O no hydrogen 2.747 N/A GLU 207.A N VAL 203.A O no hydrogen 2.809 N/A LEU 208.A N THR 204.A O no hydrogen 2.948 N/A MET 209.A N VAL 205.A O no hydrogen 2.968 N/A THR 210.A N TRP 206.A O no hydrogen 2.965 N/A THR 210.A OG1 TRP 206.A O no hydrogen 2.953 N/A THR 210.A OG1 GLU 207.A O no hydrogen 3.039 N/A PHE 211.A N LEU 208.A O no hydrogen 2.980 N/A GLY 212.A N GLU 207.A O no hydrogen 2.666 N/A ALA 213.A N THR 210.A OG1 no hydrogen 3.226 N/A ILE 219.A N TYR 216.A O no hydrogen 3.053 N/A GLU 223.A N PRO 220.A O no hydrogen 3.342 N/A ILE 224.A N ALA 221.A O no hydrogen 3.332 N/A LEU 227.A N GLU 223.A O no hydrogen 2.877 N/A LEU 228.A N ILE 224.A O no hydrogen 2.891 N/A GLU 229.A N PRO 225.A O no hydrogen 3.018 N/A LYS 230.A N ASP 226.A O no hydrogen 3.198 N/A LYS 230.A N LEU 227.A O no hydrogen 3.230 N/A LYS 230.A NZ ASP 226.A OD1 no hydrogen 2.972 N/A LYS 230.A NZ ASP 226.A OD2 no hydrogen 2.375 N/A GLY 231.A N LEU 228.A O no hydrogen 3.144 N/A GLU 232.A N LEU 227.A O no hydrogen 3.194 N/A ARG 233.A NE TRP 252.A O no hydrogen 2.814 N/A ARG 233.A NH1 TRP 252.A O no hydrogen 2.657 N/A ARG 233.A NH2 LEU 228.A O no hydrogen 2.842 N/A ARG 233.A NH2 GLU 232.A O no hydrogen 2.979 N/A GLN 236.A NE2 CYS 240.A O no hydrogen 2.966 N/A CYS 240.A N PRO 237.A O no hydrogen 2.945 N/A THR 241.A N PHE 279.A O no hydrogen 3.153 N/A THR 241.A OG1 PHE 279.A O no hydrogen 2.581 N/A VAL 244.A N THR 241.A O no hydrogen 3.082 N/A TYR 245.A N THR 241.A O no hydrogen 3.080 N/A TYR 245.A OH LEU 234.A O no hydrogen 2.523 N/A MET 246.A N ILE 242.A O no hydrogen 2.697 N/A MET 248.A N VAL 244.A O no hydrogen 3.342 N/A VAL 249.A N TYR 245.A O no hydrogen 2.866 N/A LYS 250.A N MET 246.A O no hydrogen 2.840 N/A CYS 251.A N ILE 247.A O no hydrogen 3.131 N/A CYS 251.A N MET 248.A O no hydrogen 2.882 N/A CYS 251.A SG ILE 247.A O no hydrogen 3.296 N/A TRP 252.A N VAL 249.A O no hydrogen 3.082 N/A GLU 257.A N ASP 255.A OD2 no hydrogen 2.788 N/A CYS 258.A N ASP 255.A O no hydrogen 3.190 N/A ARG 259.A NE MET 253.A O no hydrogen 2.751 N/A ARG 259.A NH1 GLU 185.A OE2 no hydrogen 2.615 N/A ARG 259.A NH1 MET 253.A O no hydrogen 3.116 N/A ARG 259.A NH1 ILE 254.A O no hydrogen 3.519 N/A ARG 259.A NH2 GLU 185.A OE1 no hydrogen 3.064 N/A ARG 259.A NH2 GLN 195.A O no hydrogen 2.875 N/A ARG 261.A N GLU 264.A OE1 no hydrogen 2.842 N/A LEU 265.A N ARG 261.A O no hydrogen 3.059 N/A VAL 266.A N PHE 262.A O no hydrogen 2.945 N/A SER 267.A N ARG 263.A O no hydrogen 3.277 N/A SER 267.A OG.A ARG 263.A O no hydrogen 2.933 N/A SER 267.A OG.B GLU 264.A O no hydrogen 3.059 N/A GLU 268.A N GLU 264.A O no hydrogen 2.832 N/A PHE 269.A N LEU 265.A O no hydrogen 2.882 N/A SER 270.A N VAL 266.A O no hydrogen 2.798 N/A SER 270.A OG VAL 266.A O no hydrogen 2.570 N/A ARG 271.A N SER 267.A O no hydrogen 2.931 N/A MET 272.A N GLU 268.A O no hydrogen 3.133 N/A ALA 273.A N PHE 269.A O no hydrogen 2.850 N/A ARG 274.A N ARG 271.A O no hydrogen 3.282 N/A ASP 275.A N MET 272.A O no hydrogen 3.060 N/A ARG 278.A N ASP 275.A O no hydrogen 3.029 N/A PHE 279.A N PRO 276.A O no hydrogen 2.898 N/A VAL 280.A N PRO 276.A O no hydrogen 2.988 N/A VAL 281.A N ILE 239.A O no hydrogen 2.752 N/A ASN 284.A N VAL 281.A O no hydrogen 3.041 N/A ASN 284.A ND2 PRO 238.A O no hydrogen 3.040 N/A GLU 285.A N ILE 282.A O no hydrogen 3.183 N/A ASP 286.A N GLN 283.A O no hydrogen 3.277 N/A