Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wa0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N PHE 12.A O no hydrogen 2.655 N/A ARG 2.A N VAL 69.A O no hydrogen 2.785 N/A ARG 2.A NE GLU 9.A OE2 no hydrogen 2.592 N/A ILE 3.A N MET 10.A O no hydrogen 3.107 N/A VAL 4.A N PHE 71.A O no hydrogen 2.905 N/A THR 5.A N ALA 8.A O no hydrogen 2.883 N/A THR 5.A OG1 ASP 7.A OD1 no hydrogen 3.274 N/A THR 5.A OG1 ALA 8.A O no hydrogen 2.924 N/A ALA 8.A N THR 5.A OG1 no hydrogen 2.960 N/A MET 10.A N ILE 3.A O no hydrogen 2.842 N/A PHE 12.A N VAL 1.A O no hydrogen 2.882 N/A CYS 14.A SG GLU 15.A O no hydrogen 3.736 N/A TRP 18.A N GLU 15.A O no hydrogen 2.900 N/A LYS 19.A N ASP 22.A OD2 no hydrogen 2.977 N/A GLY 20.A N LYS 56.A O no hydrogen 3.396 N/A LYS 21.A N MET 54.A O no hydrogen 3.044 N/A ASP 22.A N LYS 19.A O no hydrogen 2.801 N/A LEU 23.A N LYS 19.A O no hydrogen 3.078 N/A PHE 24.A N GLY 20.A O no hydrogen 2.741 N/A ASP 25.A N LYS 21.A O no hydrogen 3.019 N/A LEU 26.A N ASP 22.A O no hydrogen 2.832 N/A VAL 27.A N LEU 23.A O no hydrogen 3.079 N/A CYS 28.A N PHE 24.A O no hydrogen 2.802 N/A CYS 28.A SG PHE 24.A O no hydrogen 3.407 N/A CYS 28.A SG THR 36.A OG1 no hydrogen 2.842 N/A ARG 29.A N ASP 25.A O no hydrogen 2.836 N/A THR 30.A N LEU 26.A O no hydrogen 3.013 N/A THR 30.A OG1 LEU 26.A O no hydrogen 2.535 N/A LEU 31.A N VAL 27.A O no hydrogen 3.018 N/A GLY 32.A N ARG 29.A O no hydrogen 3.160 N/A LEU 33.A N CYS 28.A O no hydrogen 2.846 N/A ARG 34.A N GLN 88.A OE1 no hydrogen 2.682 N/A PHE 39.A N THR 36.A O no hydrogen 3.090 N/A GLY 40.A N LEU 74.A O no hydrogen 3.144 N/A GLN 42.A N HIS 72.A O no hydrogen 2.734 N/A TYR 43.A N ALA 50.A O no hydrogen 3.044 N/A ILE 45.A N THR 48.A O no hydrogen 2.744 N/A THR 48.A N ILE 45.A O no hydrogen 2.921 N/A ALA 50.A N TYR 43.A O no hydrogen 2.735 N/A LEU 52.A N LEU 41.A O no hydrogen 2.945 N/A LYS 53.A N HIS 61.A NE2 no hydrogen 3.027 N/A ASP 55.A N ASP 55.A OD1 no hydrogen 2.379 N/A LYS 56.A NZ ASP 60.A OD1 no hydrogen 2.738 N/A VAL 58.A N TRP 18.A O no hydrogen 3.504 N/A ASP 60.A N LYS 57.A O no hydrogen 3.277 N/A HIS 61.A ND1 VAL 58.A O no hydrogen 3.158 N/A GLU 66.A N SER 64.A OG no hydrogen 3.279 N/A THR 70.A OG1 PRO 68.A O no hydrogen 3.447 N/A PHE 71.A N ARG 2.A O no hydrogen 2.978 N/A HIS 72.A N GLN 42.A O no hydrogen 2.789 N/A PHE 73.A N VAL 4.A O no hydrogen 2.835 N/A LEU 74.A N GLY 40.A O no hydrogen 3.339 N/A ALA 75.A N GLN 98.A OE1 no hydrogen 2.851 N/A LYS 76.A N PHE 38.A O no hydrogen 2.583 N/A LYS 76.A NZ GLN 275.A OE1 no hydrogen 2.986 N/A PHE 77.A N PHE 38.A O no hydrogen 3.060 N/A GLU 80.A N GLU 85.A OE2 no hydrogen 3.074 N/A ASN 81.A N GLU 85.A OE2 no hydrogen 3.081 N/A ALA 82.A N GLN 189.A OE1 no hydrogen 2.921 N/A GLU 85.A N ASN 81.A O no hydrogen 2.929 N/A LEU 86.A N ALA 82.A O no hydrogen 2.935 N/A VAL 87.A N GLU 35.A OE2 no hydrogen 2.931 N/A GLN 88.A N GLU 35.A OE1 no hydrogen 3.453 N/A GLN 88.A NE2 GLY 32.A O no hydrogen 2.829 N/A THR 91.A OG1 GLU 35.A OE1 no hydrogen 3.041 N/A THR 91.A OG1 GLN 88.A O no hydrogen 2.840 N/A GLN 92.A N GLN 88.A O no hydrogen 3.204 N/A GLN 92.A NE2 LEU 86.A O no hydrogen 2.604 N/A HIS 93.A N GLU 89.A O no hydrogen 2.974 N/A HIS 93.A ND1 GLU 181.A OE1 no hydrogen 2.757 N/A LEU 94.A N ILE 90.A O no hydrogen 3.037 N/A PHE 95.A N THR 91.A O no hydrogen 3.008 N/A PHE 96.A N GLN 92.A O no hydrogen 2.813 N/A LEU 97.A N HIS 93.A O no hydrogen 3.085 N/A GLN 98.A N LEU 94.A O no hydrogen 3.173 N/A GLN 98.A NE2 ALA 75.A O no hydrogen 3.412 N/A VAL 99.A N PHE 95.A O no hydrogen 2.831 N/A LYS 100.A N PHE 96.A O no hydrogen 2.959 N/A LYS 101.A N LEU 97.A O no hydrogen 3.145 N/A LYS 101.A NZ ASP 105.A OD1 no hydrogen 3.000 N/A GLN 102.A N GLN 98.A O no hydrogen 3.008 N/A GLN 102.A NE2 TYR 78.A OH no hydrogen 2.651 N/A ILE 103.A N VAL 99.A O no hydrogen 2.954 N/A LEU 104.A N LYS 100.A O no hydrogen 2.962 N/A ASP 105.A N LYS 101.A O no hydrogen 2.907 N/A GLU 106.A N ILE 103.A O no hydrogen 3.149 N/A LYS 107.A N GLN 102.A O no hydrogen 2.733 N/A VAL 108.A N GLN 102.A O no hydrogen 3.238 N/A CYS 110.A SG PRO 111.A O no hydrogen 3.547 N/A SER 115.A N PRO 111.A O no hydrogen 2.893 N/A SER 115.A OG PRO 112.A O no hydrogen 2.708 N/A VAL 116.A N PRO 112.A O no hydrogen 3.076 N/A VAL 116.A N GLU 113.A O no hydrogen 3.171 N/A LEU 117.A N GLU 113.A O no hydrogen 3.154 N/A LEU 118.A N ALA 114.A O no hydrogen 2.859 N/A ALA 119.A N SER 115.A O no hydrogen 2.968 N/A SER 120.A N VAL 116.A O no hydrogen 2.960 N/A SER 120.A OG LEU 117.A O no hydrogen 2.834 N/A SER 120.A OG HIS 172.A NE2 no hydrogen 2.570 N/A TYR 121.A N LEU 117.A O no hydrogen 3.218 N/A ALA 122.A N LEU 118.A O no hydrogen 3.059 N/A VAL 123.A N ALA 119.A O no hydrogen 3.008 N/A GLN 124.A N SER 120.A O no hydrogen 3.029 N/A GLN 124.A NE2 ASP 129.A OD1 no hydrogen 3.031 N/A GLN 124.A NE2 ARG 175.A O no hydrogen 2.951 N/A ALA 125.A N TYR 121.A O no hydrogen 2.926 N/A LYS 126.A N ALA 122.A O no hydrogen 3.096 N/A LYS 126.A NZ GLU 143.A OE1 no hydrogen 3.453 N/A LYS 126.A NZ GLU 143.A OE2 no hydrogen 2.553 N/A TYR 127.A N VAL 123.A O no hydrogen 2.857 N/A TYR 127.A OH GLU 143.A OE2 no hydrogen 2.454 N/A ASP 131.A N HIS 135.A ND1 no hydrogen 2.805 N/A SER 133.A N ASP 131.A OD1 no hydrogen 3.026 N/A SER 133.A OG ASP 131.A OD1 no hydrogen 2.501 N/A HIS 135.A N ASP 131.A O no hydrogen 2.470 N/A GLY 138.A N GLU 162.A OE2 no hydrogen 2.848 N/A PHE 139.A N LYS 136.A O no hydrogen 3.056 N/A LEU 140.A N GLU 162.A OE1 no hydrogen 3.241 N/A ALA 141.A N GLY 138.A O no hydrogen 3.101 N/A GLU 143.A N LEU 140.A O no hydrogen 2.857 N/A ARG 149.A N GLU 106.A OE2 no hydrogen 3.127 N/A VAL 150.A N PRO 147.A O no hydrogen 3.008 N/A ILE 151.A N PRO 147.A O no hydrogen 3.232 N/A ASN 152.A N LYS 148.A O no hydrogen 2.737 N/A LEU 153.A N ARG 149.A O no hydrogen 3.215 N/A LEU 153.A N VAL 150.A O no hydrogen 3.169 N/A TYR 154.A N ILE 151.A O no hydrogen 3.288 N/A MET 160.A N THR 157.A OG1 no hydrogen 3.293 N/A TRP 161.A N THR 157.A O no hydrogen 3.018 N/A GLU 162.A N PRO 158.A O no hydrogen 2.830 N/A GLU 163.A N GLU 159.A O no hydrogen 3.070 N/A ARG 164.A N MET 160.A O no hydrogen 3.094 N/A ILE 165.A N TRP 161.A O no hydrogen 3.049 N/A THR 166.A N GLU 162.A O no hydrogen 2.784 N/A THR 166.A OG1 GLU 162.A O no hydrogen 2.789 N/A ALA 167.A N GLU 163.A O no hydrogen 2.983 N/A TYR 169.A N ILE 165.A O no hydrogen 2.787 N/A TYR 169.A OH GLY 128.A O no hydrogen 2.539 N/A ALA 170.A N THR 166.A O no hydrogen 2.797 N/A GLU 171.A N TRP 168.A O no hydrogen 2.975 N/A HIS 172.A N TYR 169.A O no hydrogen 2.935 N/A HIS 172.A NE2 SER 120.A OG no hydrogen 2.570 N/A ARG 173.A NH1 ARG 173.A O no hydrogen 3.304 N/A GLY 174.A N ASP 129.A OD1 no hydrogen 2.741 N/A ARG 175.A N HIS 172.A O no hydrogen 3.215 N/A ALA 176.A N GLU 179.A OE1 no hydrogen 3.037 N/A ALA 180.A N ALA 176.A O no hydrogen 2.908 N/A GLU 181.A N ARG 177.A O no hydrogen 3.097 N/A MET 182.A N ASP 178.A O no hydrogen 3.043 N/A GLU 183.A N GLU 179.A O no hydrogen 2.912 N/A TYR 184.A N ALA 180.A O no hydrogen 2.974 N/A LEU 185.A N GLU 181.A O no hydrogen 3.142 N/A LYS 186.A N MET 182.A O no hydrogen 2.917 N/A LYS 186.A NZ GLU 183.A OE1 no hydrogen 3.286 N/A LYS 186.A NZ GLU 183.A OE2 no hydrogen 3.316 N/A ILE 187.A N GLU 183.A O no hydrogen 3.329 N/A ALA 188.A N TYR 184.A O no hydrogen 2.972 N/A GLN 189.A N LEU 185.A O no hydrogen 2.917 N/A GLN 189.A NE2 ASN 81.A OD1 no hydrogen 3.593 N/A ASP 190.A N ILE 187.A O no hydrogen 3.211 N/A LEU 191.A N ALA 188.A O no hydrogen 2.975 N/A TYR 194.A N LEU 191.A O no hydrogen 3.288 N/A VAL 196.A N MET 193.A O no hydrogen 3.458 N/A ASN 197.A N VAL 213.A O no hydrogen 2.916 N/A ASN 197.A ND2 VAL 213.A O no hydrogen 3.084 N/A TYR 198.A OH ARG 226.A O no hydrogen 2.760 N/A PHE 199.A N LEU 211.A O no hydrogen 2.727 N/A ILE 201.A N LEU 209.A O no hydrogen 2.948 N/A ARG 202.A N ASN 263.A O no hydrogen 3.088 N/A ARG 202.A NH1 GLY 206.A O no hydrogen 3.273 N/A ASN 203.A N THR 207.A O no hydrogen 3.043 N/A LYS 204.A NZ LYS 261.A O no hydrogen 2.709 N/A GLY 206.A N ASN 203.A O no hydrogen 2.813 N/A GLY 206.A N ASN 203.A OD1 no hydrogen 3.243 N/A THR 207.A N ASN 203.A OD1 no hydrogen 2.840 N/A LEU 209.A N ILE 201.A O no hydrogen 3.038 N/A LEU 210.A N TYR 221.A O no hydrogen 2.845 N/A LEU 211.A N PHE 199.A O no hydrogen 2.641 N/A GLY 212.A N HIS 219.A O no hydrogen 2.766 N/A VAL 213.A N ASN 197.A O no hydrogen 2.943 N/A ASP 214.A N GLY 217.A O no hydrogen 3.160 N/A LEU 216.A N ASP 214.A OD1 no hydrogen 3.259 N/A GLY 217.A N ASP 214.A O no hydrogen 3.340 N/A GLY 217.A N ASP 214.A OD1 no hydrogen 3.157 N/A LEU 218.A N PHE 233.A O no hydrogen 3.044 N/A HIS 219.A N GLY 212.A O no hydrogen 3.014 N/A HIS 219.A ND1 SER 232.A OG no hydrogen 2.621 N/A HIS 219.A NE2 ASP 214.A OD1 no hydrogen 2.830 N/A ILE 220.A N ILE 231.A O no hydrogen 2.846 N/A TYR 221.A N LEU 210.A O no hydrogen 2.859 N/A GLU 224.A N ASP 222.A OD1 no hydrogen 2.937 N/A ASN 225.A N ASP 222.A O no hydrogen 2.849 N/A LEU 227.A N ASN 225.A OD1 no hydrogen 2.822 N/A THR 228.A N ASN 225.A OD1 no hydrogen 3.254 N/A LYS 230.A N ILE 220.A O no hydrogen 2.772 N/A ILE 231.A N ILE 220.A O no hydrogen 3.315 N/A SER 232.A OG HIS 219.A ND1 no hydrogen 2.621 N/A PHE 233.A N LEU 218.A O no hydrogen 2.749 N/A TRP 235.A N LEU 216.A O no hydrogen 3.124 N/A TRP 235.A NE1 ASP 214.A O no hydrogen 3.068 N/A GLU 237.A N PRO 234.A O no hydrogen 2.828 N/A ILE 238.A N TRP 235.A O no hydrogen 3.382 N/A ARG 239.A N LYS 251.A O no hydrogen 2.996 N/A ASN 240.A N LYS 251.A O no hydrogen 3.356 N/A SER 242.A N THR 249.A O no hydrogen 2.992 N/A SER 242.A OG ASN 240.A OD1 no hydrogen 2.759 N/A SER 244.A N GLU 247.A O no hydrogen 3.174 N/A GLU 247.A N SER 244.A O no hydrogen 3.161 N/A PHE 248.A N PHE 262.A O no hydrogen 2.922 N/A THR 249.A N SER 242.A O no hydrogen 2.832 N/A ILE 250.A N PHE 260.A O no hydrogen 2.691 N/A LYS 251.A N ASN 240.A O no hydrogen 3.010 N/A LEU 253.A N GLU 237.A O no hydrogen 3.027 N/A LYS 256.A N ASP 254.A OD1 no hydrogen 3.342 N/A ILE 257.A N ASP 254.A O no hydrogen 3.328 N/A PHE 260.A N ILE 250.A O no hydrogen 3.085 N/A PHE 262.A N PHE 248.A O no hydrogen 3.221 N/A ASN 263.A N ARG 202.A O no hydrogen 2.708 N/A SER 264.A N LYS 246.A O no hydrogen 2.915 N/A SER 264.A OG ASN 270.A OD1 no hydrogen 2.477 N/A ASN 270.A ND2 TYR 243.A OH no hydrogen 3.173 N/A ASN 270.A ND2 SER 264.A O no hydrogen 3.145 N/A LYS 271.A N LEU 267.A O no hydrogen 3.337 N/A LEU 272.A N ARG 268.A O no hydrogen 3.252 N/A ILE 273.A N VAL 269.A O no hydrogen 2.912 N/A LEU 274.A N ASN 270.A O no hydrogen 3.148 N/A GLN 275.A N LYS 271.A O no hydrogen 2.748 N/A LEU 276.A N LEU 272.A O no hydrogen 2.705 N/A CYS 277.A N ILE 273.A O no hydrogen 2.779 N/A CYS 277.A SG ILE 273.A O no hydrogen 3.117 N/A ILE 278.A N LEU 274.A O no hydrogen 2.875 N/A GLY 279.A N GLN 275.A O no hydrogen 2.864 N/A ASN 280.A N LEU 276.A O no hydrogen 2.799 N/A ASN 280.A ND2 LEU 276.A O no hydrogen 2.991 N/A HIS 281.A N CYS 277.A O no hydrogen 2.867 N/A ASP 282.A N ILE 278.A O no hydrogen 2.956 N/A LEU 283.A N GLY 279.A O no hydrogen 3.093 N/A PHE 284.A N ASN 280.A O no hydrogen 2.874 N/A MET 285.A N HIS 281.A O no hydrogen 2.987 N/A ARG 286.A N ASP 282.A O no hydrogen 3.039 N/A ARG 287.A NE GLU 85.A OE1 no hydrogen 2.538 N/A ARG 287.A NH1 GLU 80.A OE2 no hydrogen 2.829 N/A ARG 287.A NH2 GLU 85.A OE1 no hydrogen 3.289 N/A ARG 288.A N MET 285.A O no hydrogen 2.954 N/A ARG 288.A NH1 GLU 80.A OE1 no hydrogen 3.244 N/A ARG 288.A NH1 GLU 80.A OE2 no hydrogen 3.369 N/A ARG 288.A NH1 PHE 284.A O no hydrogen 3.382 N/A ARG 288.A NH2 GLU 80.A OE1 no hydrogen 3.467 N/A