Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jbo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 7.A OD2 no hydrogen 2.810 N/A ASP 7.A N ALA 4.A O no hydrogen 3.035 N/A PHE 8.A N LEU 5.A O no hydrogen 3.352 N/A GLU 9.A N ARG 26.A O no hydrogen 2.908 N/A GLY 11.A N LEU 24.A O no hydrogen 2.646 N/A LEU 14.A N VAL 22.A O no hydrogen 2.653 N/A GLY 15.A N VAL 22.A O no hydrogen 3.302 N/A GLY 17.A N GLY 20.A O no hydrogen 2.857 N/A ASN 21.A ND2 TYR 23.A OH no hydrogen 3.216 N/A VAL 22.A N GLY 15.A O no hydrogen 2.955 N/A TYR 23.A N LEU 36.A O no hydrogen 2.790 N/A LEU 24.A N ARG 12.A O no hydrogen 2.858 N/A ALA 25.A N LEU 34.A O no hydrogen 2.825 N/A ARG 26.A N GLU 9.A O no hydrogen 3.058 N/A ARG 26.A NE GLU 9.A OE1 no hydrogen 3.280 N/A ARG 26.A NH2 GLU 9.A OE1 no hydrogen 2.725 N/A GLU 27.A N PHE 32.A O no hydrogen 2.994 N/A LYS 28.A N ASP 7.A O no hydrogen 2.853 N/A LYS 28.A NZ GLU 6.A O no hydrogen 2.679 N/A GLN 29.A N GLU 27.A OE2 no hydrogen 3.294 N/A SER 30.A N GLU 27.A OE1 no hydrogen 2.712 N/A SER 30.A OG GLU 27.A OE1 no hydrogen 2.670 N/A LYS 31.A N GLU 27.A O no hydrogen 2.702 N/A PHE 32.A N SER 30.A OG no hydrogen 3.295 N/A LEU 34.A N ALA 25.A O no hydrogen 2.778 N/A ALA 35.A N LEU 85.A O no hydrogen 2.882 N/A LEU 36.A N TYR 23.A O no hydrogen 2.820 N/A LYS 37.A N LEU 83.A O no hydrogen 3.022 N/A VAL 38.A N ASN 21.A O no hydrogen 2.843 N/A LEU 39.A N VAL 81.A O no hydrogen 2.831 N/A LYS 41.A N THR 79.A O no hydrogen 3.032 N/A GLN 43.A NE2 LYS 18.A O no hydrogen 3.337 N/A LEU 44.A N PHE 40.A O no hydrogen 2.922 N/A GLU 45.A N LYS 41.A O no hydrogen 2.964 N/A LYS 46.A N ALA 42.A O no hydrogen 2.897 N/A ALA 47.A N GLN 43.A O no hydrogen 2.986 N/A GLY 48.A N GLU 45.A O no hydrogen 2.878 N/A VAL 49.A N LEU 44.A O no hydrogen 2.867 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.658 N/A GLN 52.A N VAL 49.A O no hydrogen 3.184 N/A GLN 52.A NE2 GLY 151.A O no hydrogen 2.877 N/A ARG 55.A N HIS 51.A O no hydrogen 3.085 N/A GLU 56.A N GLN 52.A O no hydrogen 2.997 N/A VAL 57.A N LEU 53.A O no hydrogen 3.272 N/A GLU 58.A N ARG 54.A O no hydrogen 3.036 N/A ILE 59.A N ARG 55.A O no hydrogen 2.894 N/A GLN 60.A N GLU 56.A O no hydrogen 2.786 N/A GLN 60.A NE2 LEU 69.A O no hydrogen 3.239 N/A SER 61.A N VAL 57.A O no hydrogen 3.037 N/A SER 61.A OG GLU 58.A O no hydrogen 2.881 N/A SER 61.A OG HIS 62.A ND1 no hydrogen 2.768 N/A HIS 62.A N ILE 59.A O no hydrogen 3.189 N/A HIS 62.A ND1 GLU 58.A O no hydrogen 3.236 N/A HIS 62.A ND1 SER 61.A OG no hydrogen 2.768 N/A ARG 64.A N TYR 121.A OH no hydrogen 3.027 N/A ARG 64.A NH1 GLN 60.A O no hydrogen 3.228 N/A ARG 64.A NH1 LEU 63.A O no hydrogen 2.753 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 3.228 N/A ASN 67.A ND2 LEU 145.A O no hydrogen 2.820 N/A ILE 68.A N HIS 65.A O no hydrogen 3.095 N/A LEU 69.A N ILE 147.A O no hydrogen 2.763 N/A ARG 70.A N GLU 86.A OE1 no hydrogen 3.005 N/A TYR 72.A N ILE 84.A O no hydrogen 2.797 N/A GLY 73.A N ILE 84.A O no hydrogen 3.488 N/A PHE 75.A N TYR 82.A O no hydrogen 3.216 N/A ASP 77.A N ARG 80.A O no hydrogen 3.148 N/A THR 79.A N ASP 77.A OD1 no hydrogen 3.411 N/A ARG 80.A N ASP 77.A OD1 no hydrogen 3.065 N/A VAL 81.A N LEU 39.A O no hydrogen 2.687 N/A TYR 82.A N PHE 75.A O no hydrogen 2.856 N/A TYR 82.A OH ASP 77.A OD2 no hydrogen 2.667 N/A LEU 83.A N LYS 37.A O no hydrogen 2.977 N/A ILE 84.A N GLY 73.A O no hydrogen 3.021 N/A LEU 85.A N ALA 35.A O no hydrogen 2.666 N/A GLU 86.A N ARG 70.A O no hydrogen 2.927 N/A LEU 90.A N LEU 139.A O no hydrogen 3.009 N/A GLY 91.A N ALA 88.A O no hydrogen 3.088 N/A VAL 93.A N LEU 137.A O no hydrogen 2.866 N/A TYR 94.A N PRO 134.A O no hydrogen 3.266 N/A ARG 95.A N THR 92.A OG1 no hydrogen 2.931 N/A GLU 96.A N THR 92.A O no hydrogen 3.180 N/A LEU 97.A N VAL 93.A O no hydrogen 2.851 N/A GLN 98.A N TYR 94.A O no hydrogen 3.244 N/A LYS 99.A N ARG 95.A O no hydrogen 2.930 N/A LEU 100.A N GLU 96.A O no hydrogen 2.838 N/A SER 101.A N LEU 97.A O no hydrogen 2.596 N/A PHE 103.A N PHE 197.A O no hydrogen 2.658 N/A GLN 106.A NE2 ASN 261.A OD1 no hydrogen 2.935 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 2.817 N/A ARG 107.A NH1 TYR 111.A OH no hydrogen 3.485 N/A THR 108.A N ASP 104.A O no hydrogen 3.097 N/A THR 108.A OG1 ASP 104.A O no hydrogen 2.890 N/A ALA 109.A N GLU 105.A O no hydrogen 2.958 N/A THR 110.A N GLN 106.A O no hydrogen 3.129 N/A THR 110.A OG1 GLN 106.A O no hydrogen 2.800 N/A THR 110.A OG1 SER 263.A OG no hydrogen 2.959 N/A TYR 111.A N ARG 107.A O no hydrogen 2.972 N/A TYR 111.A OH GLU 96.A OE1 no hydrogen 2.632 N/A TYR 111.A OH GLU 96.A OE2 no hydrogen 3.176 N/A ILE 112.A N THR 108.A O no hydrogen 2.888 N/A THR 113.A N ALA 109.A O no hydrogen 2.927 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.711 N/A THR 113.A OG1 SER 262.A OG no hydrogen 2.720 N/A GLU 114.A N THR 110.A O no hydrogen 3.033 N/A LEU 115.A N TYR 111.A O no hydrogen 2.869 N/A ALA 116.A N ILE 112.A O no hydrogen 2.748 N/A ASN 117.A N THR 113.A O no hydrogen 2.947 N/A ASN 117.A ND2 PRO 265.A O no hydrogen 3.569 N/A ALA 118.A N GLU 114.A O no hydrogen 3.047 N/A LEU 119.A N LEU 115.A O no hydrogen 2.812 N/A SER 120.A N ALA 116.A O no hydrogen 2.711 N/A TYR 121.A N ASN 117.A O no hydrogen 2.886 N/A CYS 122.A N ALA 118.A O no hydrogen 3.007 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.314 N/A HIS 123.A N LEU 119.A O no hydrogen 2.909 N/A HIS 123.A NE2 ASP 186.A OD2 no hydrogen 2.630 N/A SER 124.A N SER 120.A O no hydrogen 3.270 N/A SER 124.A OG SER 120.A O no hydrogen 3.558 N/A SER 124.A OG TYR 121.A O no hydrogen 2.646 N/A LYS 125.A N TYR 121.A O no hydrogen 3.337 N/A LYS 125.A N CYS 122.A O no hydrogen 3.088 N/A ARG 126.A N HIS 123.A O no hydrogen 3.127 N/A VAL 127.A N CYS 122.A O no hydrogen 2.858 N/A ILE 128.A N VAL 154.A O no hydrogen 3.408 N/A HIS 129.A N ASP 186.A OD2 no hydrogen 3.102 N/A HIS 129.A NE2 ALA 148.A O no hydrogen 3.007 N/A ARG 130.A N ASP 186.A OD1 no hydrogen 3.097 N/A ARG 130.A NH1 TRP 152.A O no hydrogen 2.439 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.131 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.805 N/A ASN 136.A N LYS 133.A O no hydrogen 2.859 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 3.251 N/A LEU 137.A N PRO 134.A O no hydrogen 3.142 N/A LEU 138.A N LYS 146.A O no hydrogen 2.752 N/A LEU 139.A N GLY 91.A O no hydrogen 2.783 N/A GLY 140.A N GLU 144.A O no hydrogen 2.817 N/A ALA 142.A N GLU 144.A OE1 no hydrogen 2.987 N/A GLY 143.A N GLY 140.A O no hydrogen 2.812 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.673 N/A LEU 145.A N GLU 114.A OE2 no hydrogen 3.245 N/A LYS 146.A N LEU 138.A O no hydrogen 2.534 N/A LYS 146.A NZ PRO 66.A O no hydrogen 2.783 N/A LYS 146.A NZ GLU 86.A OE2 no hydrogen 3.270 N/A ILE 147.A N ASN 67.A O no hydrogen 2.957 N/A ALA 148.A N ASN 136.A O no hydrogen 2.808 N/A PHE 150.A N GLU 56.A OE2 no hydrogen 3.082 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 3.001 N/A SER 153.A N PHE 150.A O no hydrogen 3.375 N/A SER 153.A OG ILE 128.A O no hydrogen 2.559 N/A VAL 154.A N ILE 128.A O no hydrogen 3.201 N/A TYR 170.A OH GLU 196.A OE1 no hydrogen 2.427 N/A TYR 170.A OH GLU 196.A OE2 no hydrogen 3.130 N/A LEU 171.A N LEU 168.A O no hydrogen 2.946 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.815 N/A MET 175.A N PRO 172.A O no hydrogen 3.117 N/A ILE 176.A N PRO 172.A O no hydrogen 3.266 N/A GLU 177.A N PRO 173.A O no hydrogen 3.047 N/A GLY 178.A N MET 175.A O no hydrogen 3.237 N/A ARG 179.A N GLU 174.A O no hydrogen 2.760 N/A HIS 181.A N SER 158.A O no hydrogen 3.333 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.735 N/A LYS 184.A N ASP 182.A OD1 no hydrogen 3.201 N/A LYS 184.A NZ ARG 246.A O no hydrogen 2.715 N/A LYS 184.A NZ PRO 247.A O no hydrogen 3.246 N/A VAL 185.A N ASP 182.A O no hydrogen 3.086 N/A ASP 186.A N GLU 183.A O no hydrogen 3.307 N/A LEU 187.A N LYS 184.A O no hydrogen 3.189 N/A TRP 188.A N LYS 184.A O no hydrogen 3.322 N/A SER 189.A N VAL 185.A O no hydrogen 3.101 N/A SER 189.A OG TYR 170.A O no hydrogen 3.226 N/A SER 189.A OG VAL 185.A O no hydrogen 3.126 N/A LEU 190.A N ASP 186.A O no hydrogen 2.989 N/A GLY 191.A N LEU 187.A O no hydrogen 3.201 N/A VAL 192.A N TRP 188.A O no hydrogen 3.046 N/A LEU 193.A N SER 189.A O no hydrogen 2.978 N/A CYS 194.A N LEU 190.A O no hydrogen 2.807 N/A TYR 195.A N GLY 191.A O no hydrogen 3.050 N/A TYR 195.A OH THR 222.A O no hydrogen 2.653 N/A GLU 196.A N VAL 192.A O no hydrogen 2.961 N/A PHE 197.A N LEU 193.A O no hydrogen 2.761 N/A LEU 198.A N CYS 194.A O no hydrogen 3.358 N/A VAL 199.A N TYR 195.A O no hydrogen 2.835 N/A GLY 200.A N GLU 196.A O no hydrogen 2.654 N/A GLU 205.A N PRO 202.A O no hydrogen 3.270 N/A TYR 209.A OH LEU 164.A O no hydrogen 2.803 N/A GLN 210.A N GLN 210.A OE1 no hydrogen 2.644 N/A THR 212.A N THR 208.A O no hydrogen 3.015 N/A THR 212.A OG1 PHE 204.A O no hydrogen 3.348 N/A THR 212.A OG1 THR 208.A O no hydrogen 3.133 N/A TYR 213.A N TYR 209.A O no hydrogen 2.816 N/A LYS 214.A N GLN 210.A O no hydrogen 3.338 N/A ARG 215.A N GLU 211.A O no hydrogen 2.915 N/A ILE 216.A N THR 212.A O no hydrogen 2.992 N/A SER 217.A N TYR 213.A O no hydrogen 3.008 N/A SER 217.A OG GLU 177.A OE2 no hydrogen 3.172 N/A ARG 218.A N LYS 214.A O no hydrogen 2.994 N/A ARG 218.A NH1 GLU 220.A OE1 no hydrogen 3.208 N/A VAL 219.A N ILE 216.A O no hydrogen 3.116 N/A GLU 220.A N ARG 215.A O no hydrogen 2.886 N/A VAL 227.A N PRO 224.A O no hydrogen 3.108 N/A THR 228.A OG1 GLU 105.A OE1 no hydrogen 2.586 N/A ARG 232.A N THR 228.A O no hydrogen 2.997 N/A ARG 232.A NE VAL 227.A O no hydrogen 2.806 N/A ARG 232.A NH2 VAL 227.A O no hydrogen 3.316 N/A ASP 233.A N GLU 229.A O no hydrogen 2.975 N/A LEU 234.A N GLY 230.A O no hydrogen 3.175 N/A ILE 235.A N ALA 231.A O no hydrogen 2.938 N/A SER 236.A N ARG 232.A O no hydrogen 2.969 N/A SER 236.A OG ARG 232.A O no hydrogen 2.716 N/A ARG 237.A N ASP 233.A O no hydrogen 2.987 N/A ARG 237.A NE ASP 233.A OD2 no hydrogen 2.771 N/A LEU 238.A N LEU 234.A O no hydrogen 3.091 N/A LEU 238.A N ILE 235.A O no hydrogen 3.016 N/A LEU 239.A N ILE 235.A O no hydrogen 2.928 N/A GLN 245.A N ASN 242.A O no hydrogen 3.226 N/A ARG 246.A N PRO 243.A O no hydrogen 2.969 N/A ARG 246.A NE LYS 240.A O no hydrogen 2.913 N/A ARG 246.A NH1 GLU 174.A OE2 no hydrogen 2.801 N/A ARG 246.A NH1 LYS 184.A O no hydrogen 2.933 N/A ARG 246.A NH2 GLU 174.A OE1 no hydrogen 2.886 N/A ARG 246.A NH2 GLU 174.A OE2 no hydrogen 3.402 N/A ARG 246.A NH2 LYS 240.A O no hydrogen 3.103 N/A MET 248.A N GLU 251.A OE2 no hydrogen 3.434 N/A ARG 250.A NH1 SER 266.A O no hydrogen 3.466 N/A GLU 251.A N MET 248.A O no hydrogen 3.054 N/A VAL 252.A N MET 248.A O no hydrogen 3.385 N/A LEU 253.A N LEU 249.A O no hydrogen 3.110 N/A GLU 254.A N ARG 250.A O no hydrogen 3.091 N/A HIS 255.A N VAL 252.A O no hydrogen 3.082 N/A HIS 255.A NE2 ASP 233.A OD2 no hydrogen 2.755 N/A TRP 257.A N HIS 255.A ND1 no hydrogen 3.318 N/A TRP 257.A NE1 GLU 105.A OE1 no hydrogen 2.830 N/A THR 259.A N HIS 255.A O no hydrogen 2.995 N/A THR 259.A OG1 HIS 255.A O no hydrogen 3.502 N/A THR 259.A OG1 PRO 256.A O no hydrogen 3.000 N/A ALA 260.A N PRO 256.A O no hydrogen 2.859 N/A ASN 261.A N TRP 257.A O no hydrogen 3.214 N/A ASN 261.A N ILE 258.A O no hydrogen 3.287 N/A ASN 261.A ND2 TRP 257.A O no hydrogen 2.769 N/A SER 262.A N ILE 258.A O no hydrogen 2.704 N/A SER 262.A OG ALA 109.A O no hydrogen 3.557 N/A SER 262.A OG THR 113.A OG1 no hydrogen 2.720 N/A SER 262.A OG LYS 264.A O no hydrogen 3.039 N/A SER 263.A N THR 110.A OG1 no hydrogen 2.977 N/A SER 263.A OG THR 110.A OG1 no hydrogen 2.959 N/A LYS 264.A NZ GLU 114.A OE2 no hydrogen 2.974 N/A