Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hrx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N VAL 1.A O no hydrogen 2.966 N/A HIS 6.A N VAL 2.A O no hydrogen 3.000 N/A HIS 6.A NE2 ASP 74.A OD1 no hydrogen 3.292 N/A ASN 7.A N GLU 4.A O no hydrogen 3.260 N/A ASN 7.A ND2 ASP 48.A OD2 no hydrogen 3.054 N/A ASN 7.A ND2 THR 54.A O no hydrogen 2.978 N/A VAL 8.A N GLU 3.A O no hydrogen 2.970 N/A LYS 9.A N LEU 46.A O no hydrogen 2.814 N/A LYS 9.A NZ GLN 28.A OE1 no hydrogen 3.178 N/A ILE 11.A N VAL 44.A O no hydrogen 2.796 N/A THR 17.A OG1 GLU 15.A O no hydrogen 2.879 N/A ILE 18.A N ARG 43.A O no hydrogen 2.875 N/A VAL 19.A N ILE 88.A O no hydrogen 2.844 N/A LEU 20.A N VAL 45.A O no hydrogen 2.924 N/A GLY 21.A N VAL 90.A O no hydrogen 2.919 N/A HIS 22.A ND1 GLY 23.A O no hydrogen 2.755 N/A THR 26.A OG1 ASP 27.A O no hydrogen 3.384 N/A ASP 27.A N THR 26.A OG1 no hydrogen 2.690 N/A GLN 28.A N ASP 48.A OD1 no hydrogen 2.783 N/A GLN 28.A NE2 ASN 7.A O no hydrogen 2.757 N/A GLN 28.A NE2 ASP 48.A OD1 no hydrogen 3.167 N/A SER 29.A N ASP 27.A OD2 no hydrogen 3.013 N/A SER 29.A OG ASP 27.A OD2 no hydrogen 2.640 N/A VAL 30.A N ASP 27.A O no hydrogen 3.118 N/A TRP 31.A N GLN 28.A O no hydrogen 3.083 N/A LYS 32.A N SER 29.A O no hydrogen 3.083 N/A LYS 32.A NZ GLU 171.A OE1 no hydrogen 3.420 N/A LYS 32.A NZ GLU 171.A OE2 no hydrogen 3.054 N/A LEU 34.A N TRP 31.A O no hydrogen 3.041 N/A VAL 35.A N TRP 31.A O no hydrogen 2.980 N/A HIS 37.A N LEU 34.A O no hydrogen 2.949 N/A HIS 37.A ND1 HIS 33.A O no hydrogen 3.212 N/A LEU 38.A N VAL 35.A O no hydrogen 2.853 N/A VAL 39.A N VAL 35.A O no hydrogen 3.321 N/A ASP 41.A N LEU 38.A O no hydrogen 3.130 N/A TYR 42.A N LEU 38.A O no hydrogen 3.001 N/A ARG 43.A N ALA 16.A O no hydrogen 2.918 N/A ARG 43.A NE THR 17.A OG1 no hydrogen 3.083 N/A ARG 43.A NH2 THR 17.A OG1 no hydrogen 3.111 N/A VAL 44.A N ILE 11.A O no hydrogen 2.713 N/A VAL 45.A N ILE 18.A O no hydrogen 2.830 N/A LEU 46.A N LYS 9.A O no hydrogen 2.926 N/A ASP 48.A N HIS 6.A O no hydrogen 2.758 N/A ASN 49.A N HIS 22.A NE2 no hydrogen 2.906 N/A ASN 49.A ND2 HIS 22.A O no hydrogen 3.004 N/A GLY 51.A N THR 55.A OG1 no hydrogen 3.048 N/A ALA 52.A N ASN 49.A O no hydrogen 2.895 N/A THR 54.A OG1 ASP 48.A OD2 no hydrogen 2.666 N/A THR 55.A N ALA 52.A O no hydrogen 2.998 N/A THR 55.A OG1 ALA 52.A O no hydrogen 2.716 N/A ASP 58.A N ASN 56.A OD1 no hydrogen 2.921 N/A TYR 59.A N ASN 56.A O no hydrogen 3.118 N/A PHE 60.A N PRO 57.A O no hydrogen 2.984 N/A ARG 64.A N ASP 61.A OD2 no hydrogen 3.056 N/A ARG 64.A NE TYR 65.A OH no hydrogen 3.317 N/A ARG 64.A NE ASP 74.A OD2 no hydrogen 3.203 N/A ARG 64.A NH1 ASP 74.A OD2 no hydrogen 2.780 N/A TYR 65.A N ASP 61.A O no hydrogen 3.032 N/A TYR 65.A OH ASP 74.A OD1 no hydrogen 2.621 N/A TYR 65.A OH ASP 74.A OD2 no hydrogen 3.176 N/A SER 66.A N ASP 63.A O no hydrogen 3.253 N/A SER 66.A OG ASP 63.A O no hydrogen 2.635 N/A GLY 70.A N ASN 67.A O no hydrogen 3.303 N/A SER 72.A N LEU 68.A O no hydrogen 3.256 N/A SER 72.A OG LEU 68.A O no hydrogen 3.348 N/A SER 72.A OG ILE 98.A O no hydrogen 2.998 N/A PHE 73.A N GLU 69.A O no hydrogen 2.908 N/A ASP 74.A N GLY 70.A O no hydrogen 3.084 N/A LEU 75.A N TYR 71.A O no hydrogen 2.998 N/A ILE 76.A N SER 72.A O no hydrogen 3.064 N/A ALA 77.A N PHE 73.A O no hydrogen 2.966 N/A ILE 78.A N ASP 74.A O no hydrogen 2.966 N/A LEU 79.A N LEU 75.A O no hydrogen 2.961 N/A GLU 80.A N ILE 76.A O no hydrogen 2.812 N/A ASP 81.A N ALA 77.A O no hydrogen 2.966 N/A LEU 82.A N ILE 78.A O no hydrogen 3.068 N/A LYS 83.A N GLU 80.A O no hydrogen 3.181 N/A ILE 84.A N LEU 79.A O no hydrogen 2.973 N/A CYS 87.A N LEU 109.A O no hydrogen 2.966 N/A CYS 87.A SG LEU 109.A O no hydrogen 3.663 N/A ILE 88.A N THR 17.A O no hydrogen 3.060 N/A PHE 89.A N LYS 112.A O no hydrogen 2.951 N/A VAL 90.A N VAL 19.A O no hydrogen 2.853 N/A GLY 91.A N VAL 114.A O no hydrogen 2.852 N/A HIS 92.A N GLY 21.A O no hydrogen 3.003 N/A HIS 92.A NE2 HIS 244.A O no hydrogen 2.908 N/A SER 93.A N ILE 116.A O no hydrogen 2.614 N/A SER 93.A OG HIS 244.A NE2 no hydrogen 2.649 N/A SER 95.A N HIS 92.A O no hydrogen 3.089 N/A SER 95.A OG HIS 22.A O no hydrogen 2.641 N/A ALA 96.A N SER 93.A O no hydrogen 2.954 N/A MET 97.A N VAL 94.A O no hydrogen 2.974 N/A ILE 98.A N VAL 94.A O no hydrogen 3.098 N/A GLY 99.A N SER 95.A O no hydrogen 2.824 N/A VAL 100.A N ALA 96.A O no hydrogen 3.061 N/A LEU 101.A N MET 97.A O no hydrogen 2.841 N/A ALA 102.A N ILE 98.A O no hydrogen 2.890 N/A SER 103.A N GLY 99.A O no hydrogen 2.908 N/A SER 103.A OG VAL 100.A O no hydrogen 2.757 N/A LEU 104.A N VAL 100.A O no hydrogen 3.112 N/A LEU 104.A N LEU 101.A O no hydrogen 3.131 N/A ASN 105.A N LEU 101.A O no hydrogen 3.432 N/A ARG 106.A N ALA 102.A O no hydrogen 2.695 N/A ARG 106.A NE ASP 108.A OD1 no hydrogen 2.928 N/A ARG 106.A NE ASP 108.A OD2 no hydrogen 3.310 N/A ARG 106.A NH1 ASP 108.A OD2 no hydrogen 2.784 N/A ARG 106.A NH2 GLU 80.A OE1 no hydrogen 2.770 N/A LEU 109.A N ARG 106.A O no hydrogen 3.047 N/A PHE 110.A N PRO 107.A O no hydrogen 3.263 N/A SER 111.A N CYS 87.A O no hydrogen 2.965 N/A SER 111.A OG CYS 87.A O no hydrogen 3.489 N/A LYS 112.A NZ HIS 261.A O no hydrogen 2.731 N/A LYS 112.A NZ ILE 262.A O no hydrogen 3.192 N/A LYS 112.A NZ ASP 265.A OD1 no hydrogen 2.934 N/A ILE 113.A N PRO 206.A O no hydrogen 2.959 N/A VAL 114.A N PHE 89.A O no hydrogen 2.835 N/A MET 115.A N HIS 208.A O no hydrogen 2.670 N/A ILE 116.A N GLY 91.A O no hydrogen 2.903 N/A SER 117.A N LEU 210.A O no hydrogen 2.983 N/A SER 117.A OG HIS 244.A O no hydrogen 2.661 N/A ARG 121.A N SER 119.A OG no hydrogen 3.296 N/A ARG 121.A NH1 SER 194.A O no hydrogen 3.114 N/A ASN 124.A N PHE 132.A O no hydrogen 2.777 N/A ASN 124.A ND2 GLU 133.A OE1 no hydrogen 2.760 N/A ASP 125.A N TYR 128.A O no hydrogen 3.035 N/A ASP 127.A N ASP 125.A OD2 no hydrogen 2.917 N/A TYR 128.A N ASP 125.A O no hydrogen 3.138 N/A TYR 128.A OH ARG 121.A O no hydrogen 2.792 N/A GLY 130.A N ASN 124.A OD1 no hydrogen 2.643 N/A GLY 131.A N ASN 124.A OD1 no hydrogen 2.756 N/A PHE 132.A N TYR 122.A O no hydrogen 3.000 N/A GLN 134.A NE2 GLN 134.A O no hydrogen 3.280 N/A GLN 134.A NE2 ASN 138.A OD1 no hydrogen 3.022 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.749 N/A ASP 136.A N GLU 133.A O no hydrogen 3.075 N/A LEU 137.A N GLU 133.A O no hydrogen 3.305 N/A ASN 138.A N GLN 134.A O no hydrogen 2.911 N/A GLN 139.A N GLU 135.A O no hydrogen 3.281 N/A LEU 140.A N ASP 136.A O no hydrogen 2.889 N/A PHE 141.A N LEU 137.A O no hydrogen 2.929 N/A GLU 142.A N ASN 138.A O no hydrogen 3.216 N/A ALA 143.A N GLN 139.A O no hydrogen 3.130 N/A ILE 144.A N LEU 140.A O no hydrogen 3.062 N/A ARG 145.A N PHE 141.A O no hydrogen 2.938 N/A ARG 145.A NE GLU 142.A OE1 no hydrogen 3.083 N/A ARG 145.A NE GLU 142.A OE2 no hydrogen 3.503 N/A ARG 145.A NH2 GLU 142.A OE2 no hydrogen 3.048 N/A SER 146.A N GLU 142.A O no hydrogen 2.831 N/A ASN 147.A N ALA 143.A O no hydrogen 3.317 N/A TYR 148.A OH LEU 176.A O no hydrogen 2.470 N/A ALA 150.A N ASN 147.A OD1 no hydrogen 3.152 N/A TRP 151.A N ASN 147.A O no hydrogen 3.089 N/A CYS 152.A N TYR 148.A O no hydrogen 2.974 N/A CYS 152.A SG TYR 148.A O no hydrogen 3.221 N/A LEU 153.A N LYS 149.A O no hydrogen 3.121 N/A GLY 154.A N ALA 150.A O no hydrogen 3.075 N/A PHE 155.A N TRP 151.A O no hydrogen 2.722 N/A ALA 156.A N CYS 152.A O no hydrogen 2.972 N/A ALA 159.A N PHE 155.A O no hydrogen 2.948 N/A VAL 160.A N ALA 156.A O no hydrogen 2.946 N/A GLY 161.A N PRO 157.A O no hydrogen 2.920 N/A GLY 162.A N ASP 242.A OD2 no hydrogen 2.963 N/A ASP 165.A N ASP 163.A OD2 no hydrogen 2.870 N/A SER 166.A N ASP 163.A O no hydrogen 3.232 N/A SER 166.A OG ASP 163.A O no hydrogen 3.174 N/A VAL 169.A N SER 166.A OG no hydrogen 3.212 N/A GLN 170.A N SER 166.A O no hydrogen 3.173 N/A GLU 171.A N ILE 167.A O no hydrogen 2.730 N/A PHE 172.A N ALA 168.A O no hydrogen 3.012 N/A SER 173.A N VAL 169.A O no hydrogen 3.083 N/A SER 173.A OG GLN 170.A O no hydrogen 3.474 N/A ARG 174.A N GLN 170.A O no hydrogen 3.298 N/A THR 175.A N GLU 171.A O no hydrogen 3.056 N/A THR 175.A OG1 GLY 25.A O no hydrogen 2.805 N/A THR 175.A OG1 GLU 171.A O no hydrogen 3.424 N/A THR 175.A OG1 PHE 172.A O no hydrogen 3.187 N/A LEU 176.A N PHE 172.A O no hydrogen 2.887 N/A PHE 177.A N SER 173.A O no hydrogen 3.002 N/A ASN 178.A N ARG 174.A O no hydrogen 2.928 N/A MET 179.A N LEU 176.A O no hydrogen 3.122 N/A ARG 180.A NE ASP 182.A OD1 no hydrogen 2.697 N/A ARG 180.A NH2 ASP 182.A OD2 no hydrogen 2.932 N/A ALA 184.A N ARG 180.A O no hydrogen 2.995 N/A LEU 185.A N PRO 181.A O no hydrogen 3.162 N/A SER 186.A N ASP 182.A O no hydrogen 3.108 N/A VAL 187.A N ILE 183.A O no hydrogen 2.806 N/A GLY 188.A N ALA 184.A O no hydrogen 2.921 N/A GLN 189.A N LEU 185.A O no hydrogen 3.115 N/A THR 190.A N SER 186.A O no hydrogen 3.027 N/A THR 190.A OG1 SER 186.A O no hydrogen 2.980 N/A ILE 191.A N VAL 187.A O no hydrogen 2.965 N/A PHE 192.A N GLY 188.A O no hydrogen 3.011 N/A GLN 193.A N GLN 189.A O no hydrogen 2.972 N/A SER 194.A N ILE 191.A O no hydrogen 3.090 N/A SER 194.A OG ILE 191.A O no hydrogen 2.724 N/A MET 196.A N PRO 120.A O no hydrogen 2.687 N/A ARG 197.A N ASP 195.A OD2 no hydrogen 3.269 N/A ARG 197.A NE ASP 195.A OD1 no hydrogen 3.442 N/A ARG 197.A NE ASP 195.A OD2 no hydrogen 2.764 N/A ARG 197.A NH1 ASP 125.A OD1 no hydrogen 2.788 N/A ARG 197.A NH2 ASP 195.A OD1 no hydrogen 2.727 N/A GLN 198.A NE2 ASP 195.A OD1 no hydrogen 3.096 N/A GLN 198.A NE2 ASP 195.A OD2 no hydrogen 3.468 N/A ILE 199.A N MET 196.A O no hydrogen 3.292 N/A LEU 200.A N ARG 197.A O no hydrogen 3.437 N/A PHE 202.A N ILE 199.A O no hydrogen 3.136 N/A VAL 203.A N LEU 200.A O no hydrogen 3.263 N/A CYS 207.A N GLU 233.A O no hydrogen 3.054 N/A CYS 207.A SG VAL 205.A O no hydrogen 3.350 N/A HIS 208.A N ILE 113.A O no hydrogen 2.816 N/A HIS 208.A ND1 HIS 261.A ND1 no hydrogen 2.796 N/A ILE 209.A N VAL 235.A O no hydrogen 2.745 N/A LEU 210.A N MET 115.A O no hydrogen 2.838 N/A GLN 211.A N GLU 237.A O no hydrogen 3.479 N/A GLN 211.A NE2 PRO 219.A O no hydrogen 3.553 N/A SER 212.A OG SER 241.A OG no hydrogen 2.787 N/A SER 212.A OG GLY 243.A O no hydrogen 2.656 N/A VAL 213.A N ILE 239.A O no hydrogen 2.870 N/A LYS 214.A N SER 241.A O no hydrogen 3.338 N/A ALA 217.A N ASP 215.A OD1 no hydrogen 2.888 N/A VAL 218.A N ASP 215.A O no hydrogen 3.219 N/A VAL 222.A N PRO 219.A O no hydrogen 2.946 N/A SER 223.A N VAL 220.A O no hydrogen 3.111 N/A SER 223.A OG VAL 220.A O no hydrogen 2.838 N/A TYR 225.A N VAL 221.A O no hydrogen 2.943 N/A LEU 226.A N VAL 222.A O no hydrogen 2.925 N/A HIS 227.A N SER 223.A O no hydrogen 2.988 N/A HIS 227.A ND1 SER 234.A OG no hydrogen 2.693 N/A ALA 228.A N GLU 224.A O no hydrogen 2.902 N/A ASN 229.A N TYR 225.A O no hydrogen 3.004 N/A ASN 229.A ND2 TYR 225.A O no hydrogen 2.905 N/A LEU 230.A N LEU 226.A O no hydrogen 2.907 N/A GLY 231.A N LEU 200.A O no hydrogen 3.090 N/A CYS 232.A SG GLU 233.A O no hydrogen 3.570 N/A SER 234.A OG HIS 227.A ND1 no hydrogen 2.693 N/A VAL 235.A N CYS 207.A O no hydrogen 3.153 N/A GLU 237.A N ILE 209.A O no hydrogen 2.993 N/A ILE 239.A N GLN 211.A O no hydrogen 2.718 N/A SER 241.A N ILE 239.A O no hydrogen 2.673 N/A SER 241.A OG SER 212.A OG no hydrogen 2.787 N/A GLY 243.A N LYS 214.A O no hydrogen 2.853 N/A HIS 244.A N ALA 159.A O no hydrogen 3.012 N/A HIS 244.A ND1 ASP 215.A OD1 no hydrogen 2.751 N/A HIS 244.A ND1 ASP 215.A OD2 no hydrogen 3.059 N/A HIS 244.A NE2 SER 93.A OG no hydrogen 2.649 N/A GLN 247.A N GLN 247.A OE1 no hydrogen 2.824 N/A LEU 248.A N LEU 245.A O no hydrogen 3.230 N/A SER 249.A N LEU 245.A O no hydrogen 3.132 N/A SER 249.A OG LEU 245.A O no hydrogen 3.156 N/A SER 250.A N PRO 246.A O no hydrogen 2.817 N/A SER 253.A N SER 250.A O no hydrogen 3.328 N/A SER 253.A OG SER 250.A O no hydrogen 3.463 N/A VAL 254.A N SER 250.A O no hydrogen 2.998 N/A ILE 255.A N PRO 251.A O no hydrogen 2.819 N/A ILE 258.A N VAL 254.A O no hydrogen 3.167 N/A LEU 259.A N ILE 255.A O no hydrogen 2.967 N/A ARG 260.A N PRO 256.A O no hydrogen 3.115 N/A ARG 260.A NH1 GLU 237.A OE2 no hydrogen 2.815 N/A ARG 260.A NH2 GLU 237.A OE1 no hydrogen 2.678 N/A ARG 260.A NH2 GLU 237.A OE2 no hydrogen 3.480 N/A HIS 261.A N VAL 257.A O no hydrogen 3.152 N/A HIS 261.A ND1 HIS 208.A ND1 no hydrogen 2.796 N/A HIS 261.A NE2 GLU 237.A OE2 no hydrogen 2.842 N/A ILE 262.A N ILE 258.A O no hydrogen 2.909 N/A ARG 263.A N LEU 259.A O no hydrogen 2.724 N/A ARG 263.A NH2 HIS 37.A O no hydrogen 3.296 N/A ASN 264.A N ARG 260.A O no hydrogen 2.824 N/A ASN 264.A ND2 ARG 260.A O no hydrogen 2.903 N/A