Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ARG 22.A O no hydrogen 3.220 N/A VAL 7.A N LYS 20.A O no hydrogen 2.769 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 2.681 N/A ILE 10.A N VAL 18.A O no hydrogen 2.622 N/A GLY 11.A N VAL 18.A O no hydrogen 3.225 N/A VAL 18.A N GLY 11.A O no hydrogen 2.738 N/A TYR 19.A N LEU 32.A O no hydrogen 2.866 N/A LYS 20.A N GLU 8.A O no hydrogen 2.782 N/A ALA 21.A N VAL 30.A O no hydrogen 2.844 N/A ARG 22.A N GLN 5.A O no hydrogen 3.160 N/A ARG 22.A NE GLN 5.A OE1 no hydrogen 3.218 N/A ASN 23.A N GLU 28.A O no hydrogen 2.659 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.103 N/A THR 26.A N ASN 23.A OD1 no hydrogen 3.113 N/A GLY 27.A N ASN 23.A O no hydrogen 2.708 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.268 N/A VAL 30.A N ALA 21.A O no hydrogen 2.781 N/A ALA 31.A N PHE 77.A O no hydrogen 2.921 N/A LEU 32.A N TYR 19.A O no hydrogen 2.740 N/A LYS 33.A N LEU 75.A O no hydrogen 2.868 N/A LYS 33.A NZ ASP 142.A OD1 no hydrogen 3.011 N/A LYS 33.A NZ ASP 142.A OD2 no hydrogen 3.211 N/A LYS 34.A N VAL 17.A O no hydrogen 2.843 N/A ILE 35.A N LEU 73.A O no hydrogen 2.744 N/A LEU 37.A N ASN 71.A O no hydrogen 3.032 N/A SER 43.A N VAL 41.A O no hydrogen 2.945 N/A ILE 46.A N PRO 42.A O no hydrogen 2.668 N/A ARG 47.A N SER 43.A O no hydrogen 2.838 N/A GLU 48.A N THR 44.A O no hydrogen 3.050 N/A ILE 49.A N ALA 45.A O no hydrogen 3.220 N/A SER 50.A N ILE 46.A O no hydrogen 3.129 N/A SER 50.A OG ILE 46.A O no hydrogen 3.012 N/A LEU 51.A N ARG 47.A O no hydrogen 3.129 N/A LEU 51.A N GLU 48.A O no hydrogen 3.042 N/A LEU 52.A N ILE 49.A O no hydrogen 2.992 N/A LYS 53.A N SER 50.A O no hydrogen 3.113 N/A GLU 54.A N LEU 51.A O no hydrogen 3.231 N/A LEU 55.A N LEU 52.A O no hydrogen 3.124 N/A ASN 56.A ND2 LYS 53.A O no hydrogen 3.489 N/A HIS 57.A NE2 ASN 59.A OD1 no hydrogen 3.205 N/A ASN 59.A ND2 GLN 107.A OE1 no hydrogen 3.025 N/A ASN 59.A ND2 ILE 138.A O no hydrogen 3.101 N/A ILE 60.A N HIS 57.A O no hydrogen 3.020 N/A VAL 61.A N LEU 140.A O no hydrogen 2.760 N/A LYS 62.A N GLU 78.A OE2 no hydrogen 2.621 N/A LEU 64.A N VAL 76.A O no hydrogen 2.718 N/A ASP 65.A N VAL 76.A O no hydrogen 3.314 N/A ILE 67.A N TYR 74.A O no hydrogen 2.841 N/A THR 69.A N LYS 72.A O no hydrogen 2.968 N/A THR 69.A OG1 GLU 70.A OE1 no hydrogen 2.821 N/A LYS 72.A N THR 69.A O no hydrogen 3.003 N/A LEU 73.A N ILE 35.A O no hydrogen 2.872 N/A TYR 74.A N ILE 67.A O no hydrogen 2.744 N/A LEU 75.A N LYS 33.A O no hydrogen 2.856 N/A VAL 76.A N ASP 65.A O no hydrogen 2.896 N/A PHE 77.A N ALA 31.A O no hydrogen 2.752 N/A GLU 78.A N LYS 62.A O no hydrogen 2.997 N/A LEU 84.A N LEU 130.A O no hydrogen 2.716 N/A LYS 85.A NZ LYS 85.A O no hydrogen 2.726 N/A LYS 86.A N ASP 83.A OD1 no hydrogen 2.763 N/A PHE 87.A N ASP 83.A O no hydrogen 3.155 N/A MET 88.A N LEU 84.A O no hydrogen 2.726 N/A ASP 89.A N LYS 85.A O no hydrogen 2.935 N/A ALA 90.A N LYS 86.A O no hydrogen 2.869 N/A SER 91.A N PHE 87.A O no hydrogen 2.926 N/A SER 91.A N MET 88.A O no hydrogen 3.154 N/A SER 91.A OG PHE 87.A O no hydrogen 2.850 N/A ALA 92.A N ASP 89.A O no hydrogen 3.147 N/A GLY 95.A N SER 91.A O no hydrogen 2.457 N/A LEU 100.A N PRO 97.A O no hydrogen 2.806 N/A ILE 101.A N PRO 97.A O no hydrogen 2.982 N/A LYS 102.A N LEU 98.A O no hydrogen 2.805 N/A LYS 102.A NZ PHE 282.A O no hydrogen 2.868 N/A LYS 102.A NZ ASP 285.A OD1 no hydrogen 2.641 N/A SER 103.A N PRO 99.A O no hydrogen 2.988 N/A SER 103.A OG THR 287.A O no hydrogen 3.301 N/A TYR 104.A N LEU 100.A O no hydrogen 2.865 N/A LEU 105.A N ILE 101.A O no hydrogen 2.845 N/A PHE 106.A N LYS 102.A O no hydrogen 2.970 N/A GLN 107.A N SER 103.A O no hydrogen 2.954 N/A GLN 107.A NE2 SER 103.A O no hydrogen 3.679 N/A GLN 107.A NE2 SER 103.A OG no hydrogen 3.145 N/A GLN 107.A NE2 GLY 136.A O no hydrogen 2.727 N/A LEU 108.A N TYR 104.A O no hydrogen 2.947 N/A LEU 109.A N LEU 105.A O no hydrogen 2.945 N/A GLN 110.A N PHE 106.A O no hydrogen 3.013 N/A GLN 110.A NE2 PHE 106.A O no hydrogen 3.659 N/A GLY 111.A N GLN 107.A O no hydrogen 2.910 N/A LEU 112.A N LEU 108.A O no hydrogen 2.900 N/A ALA 113.A N LEU 109.A O no hydrogen 2.737 N/A PHE 114.A N GLN 110.A O no hydrogen 2.987 N/A CYS 115.A N GLY 111.A O no hydrogen 3.018 N/A CYS 115.A SG.A GLY 111.A O no hydrogen 3.443 N/A CYS 115.A SG.B GLY 111.A O no hydrogen 3.519 N/A CYS 115.A SG.B LEU 112.A O no hydrogen 3.405 N/A CYS 115.A SG.B VAL 120.A O no hydrogen 3.532 N/A HIS 116.A N LEU 112.A O no hydrogen 2.773 N/A HIS 116.A NE2 ASP 182.A OD2 no hydrogen 2.937 N/A SER 117.A N ALA 113.A O no hydrogen 2.967 N/A SER 117.A OG ALA 113.A O no hydrogen 3.291 N/A SER 117.A OG PHE 114.A O no hydrogen 2.647 N/A HIS 118.A N PHE 114.A O no hydrogen 3.201 N/A HIS 118.A N CYS 115.A O no hydrogen 2.927 N/A ARG 119.A N HIS 116.A O no hydrogen 3.014 N/A VAL 120.A N CYS 115.A O no hydrogen 2.703 N/A HIS 122.A N ASP 182.A OD2 no hydrogen 2.735 N/A ARG 123.A N ASP 182.A OD1 no hydrogen 2.787 N/A ARG 123.A NE GLY 144.A O no hydrogen 3.311 N/A LYS 126.A N ASN 129.A OD1 no hydrogen 3.066 N/A LYS 126.A NZ ASP 124.A OD2 no hydrogen 3.050 N/A ASN 129.A N LYS 126.A O no hydrogen 2.923 N/A ASN 129.A ND2 ASP 124.A O no hydrogen 2.856 N/A LEU 130.A N PRO 127.A O no hydrogen 3.214 N/A LEU 131.A N LYS 139.A O no hydrogen 2.903 N/A ILE 132.A N GLN 82.A O no hydrogen 2.804 N/A ASN 133.A N ALA 137.A O no hydrogen 3.250 N/A GLU 135.A N ASN 133.A OD1 no hydrogen 3.045 N/A GLY 136.A N ASN 133.A O no hydrogen 3.235 N/A ALA 137.A N ASN 133.A OD1 no hydrogen 2.966 N/A ILE 138.A N GLN 107.A OE1 no hydrogen 3.192 N/A LYS 139.A N LEU 131.A O no hydrogen 2.685 N/A LYS 139.A NZ GLU 78.A OE1 no hydrogen 3.530 N/A LYS 139.A NZ GLU 78.A OE2 no hydrogen 3.545 N/A LEU 140.A N ASN 59.A O no hydrogen 2.805 N/A ALA 141.A N ASN 129.A O no hydrogen 2.987 N/A GLY 144.A N HIS 122.A O no hydrogen 2.866 N/A ALA 148.A N LEU 145.A O no hydrogen 2.699 N/A THR 155.A N GLU 159.A O no hydrogen 3.212 N/A THR 155.A OG1 THR 157.A OG1 no hydrogen 2.956 N/A THR 157.A OG1 THR 155.A OG1 no hydrogen 2.956 N/A THR 157.A OG1 GLU 159.A OE2 no hydrogen 3.116 N/A HIS 158.A N THR 155.A O no hydrogen 2.949 N/A TYR 165.A OH GLU 192.A OE1 no hydrogen 2.514 N/A TYR 165.A OH GLU 192.A OE2 no hydrogen 3.388 N/A ARG 166.A N LEU 163.A O no hydrogen 3.053 N/A ARG 166.A NH1.B ASP 124.A OD1 no hydrogen 2.931 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.684 N/A ILE 170.A N ALA 167.A O no hydrogen 3.133 N/A LEU 171.A N ALA 167.A O no hydrogen 3.323 N/A LEU 172.A N PRO 168.A O no hydrogen 2.903 N/A GLY 173.A N ILE 170.A O no hydrogen 3.012 N/A CYS 174.A N GLU 169.A O no hydrogen 2.898 N/A CYS 174.A SG.A GLU 169.A O no hydrogen 2.954 N/A CYS 174.A SG.A TYR 176.A O no hydrogen 3.871 N/A CYS 174.A SG.B TYR 176.A O no hydrogen 3.046 N/A ALA 180.A N SER 178.A OG no hydrogen 3.054 N/A VAL 181.A N SER 178.A O no hydrogen 2.975 N/A ASP 182.A N THR 179.A O no hydrogen 3.044 N/A TRP 184.A N ALA 180.A O no hydrogen 3.088 N/A SER 185.A N VAL 181.A O no hydrogen 3.212 N/A SER 185.A OG TYR 165.A O no hydrogen 2.696 N/A SER 185.A OG VAL 181.A O no hydrogen 3.147 N/A LEU 186.A N ASP 182.A O no hydrogen 2.979 N/A GLY 187.A N ILE 183.A O no hydrogen 2.883 N/A CYS 188.A N TRP 184.A O no hydrogen 2.986 N/A CYS 188.A SG TRP 164.A O no hydrogen 4.041 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.516 N/A ILE 189.A N SER 185.A O no hydrogen 2.954 N/A PHE 190.A N LEU 186.A O no hydrogen 2.850 N/A ALA 191.A N GLY 187.A O no hydrogen 2.994 N/A GLU 192.A N CYS 188.A O no hydrogen 3.082 N/A MET 193.A N ILE 189.A O no hydrogen 2.926 N/A VAL 194.A N PHE 190.A O no hydrogen 3.104 N/A THR 195.A N ALA 191.A O no hydrogen 2.854 N/A THR 195.A OG1 ALA 191.A O no hydrogen 3.130 N/A ARG 196.A N GLU 192.A O no hydrogen 2.697 N/A ARG 196.A NE ALA 92.A O no hydrogen 3.324 N/A ARG 196.A NH2 ALA 92.A O no hydrogen 3.192 N/A ARG 197.A N THR 195.A OG1 no hydrogen 3.229 N/A GLY 202.A N PHE 200.A O no hydrogen 2.906 N/A GLY 202.A N GLN 208.A OE1 no hydrogen 2.919 N/A ASP 203.A N ASP 207.A OD2 no hydrogen 2.959 N/A ASP 207.A N SER 204.A OG no hydrogen 2.910 N/A GLN 208.A N SER 204.A O no hydrogen 2.746 N/A GLN 208.A NE2 PHE 200.A O no hydrogen 2.885 N/A LEU 209.A N GLU 205.A O no hydrogen 2.926 N/A PHE 210.A N ILE 206.A O no hydrogen 2.773 N/A ARG 211.A N ASP 207.A O no hydrogen 2.897 N/A ARG 211.A NE ASP 207.A OD2 no hydrogen 2.942 N/A ILE 212.A N GLN 208.A O no hydrogen 3.130 N/A PHE 213.A N LEU 209.A O no hydrogen 2.957 N/A ARG 214.A N PHE 210.A O no hydrogen 2.793 N/A THR 215.A N ARG 211.A O no hydrogen 3.249 N/A THR 215.A N ILE 212.A O no hydrogen 3.151 N/A LEU 216.A N ILE 212.A O no hydrogen 2.809 N/A GLY 217.A N PHE 213.A O no hydrogen 2.652 N/A THR 218.A N TRP 240.A O no hydrogen 2.900 N/A THR 218.A OG1 PRO 238.A O no hydrogen 2.676 N/A VAL 223.A N ASP 220.A OD1 no hydrogen 3.129 N/A TRP 224.A N ASP 220.A O no hydrogen 2.867 N/A GLY 226.A N GLU 221.A OE1 no hydrogen 2.749 N/A VAL 227.A N TRP 224.A O no hydrogen 2.986 N/A THR 228.A N GLU 221.A OE2 no hydrogen 2.980 N/A THR 228.A OG1 GLU 221.A OE2 no hydrogen 2.641 N/A SER 229.A N GLY 226.A O no hydrogen 3.098 N/A SER 229.A OG GLY 226.A O no hydrogen 3.075 N/A MET 230.A N VAL 227.A O no hydrogen 3.062 N/A ASP 232.A N LEU 172.A O no hydrogen 2.875 N/A TYR 233.A N MET 230.A O no hydrogen 2.960 N/A PHE 237.A N LYS 234.A O no hydrogen 2.937 N/A TRP 240.A N THR 218.A OG1 no hydrogen 2.889 N/A ARG 242.A NH1 LEU 216.A O no hydrogen 3.106 N/A GLN 243.A N THR 215.A O no hydrogen 2.874 N/A SER 246.A N ASP 244.A OD1 no hydrogen 2.906 N/A SER 246.A OG ASP 244.A OD1 no hydrogen 2.839 N/A LYS 247.A N ASP 244.A O no hydrogen 3.233 N/A VAL 248.A N PHE 245.A O no hydrogen 2.908 N/A LEU 252.A N VAL 249.A O no hydrogen 2.831 N/A GLY 256.A N ASP 253.A OD1 no hydrogen 2.816 N/A ARG 257.A N ASP 253.A O no hydrogen 2.950 N/A ARG 257.A NH2 GLU 254.A OE2 no hydrogen 2.229 N/A SER 258.A N GLU 254.A O no hydrogen 2.841 N/A SER 258.A OG ASP 255.A O no hydrogen 3.408 N/A SER 258.A OG HIS 280.A NE2 no hydrogen 2.675 N/A LEU 259.A N ASP 255.A O no hydrogen 3.092 N/A LEU 260.A N GLY 256.A O no hydrogen 2.912 N/A SER 261.A N ARG 257.A O no hydrogen 2.916 N/A SER 261.A OG ARG 257.A O no hydrogen 3.532 N/A SER 261.A OG SER 258.A O no hydrogen 2.709 N/A GLN 262.A N SER 258.A O no hydrogen 3.112 N/A MET 263.A N LEU 259.A O no hydrogen 3.012 N/A MET 263.A N LEU 260.A O no hydrogen 3.000 N/A LEU 264.A N LEU 260.A O no hydrogen 2.973 N/A LEU 264.A N SER 261.A O no hydrogen 3.316 N/A TYR 266.A OH GLY 217.A O no hydrogen 2.627 N/A ASN 269.A N ASP 267.A OD1 no hydrogen 2.878 N/A LYS 270.A N ASP 267.A O no hydrogen 2.757 N/A ARG 271.A N ASP 267.A O no hydrogen 2.927 N/A ARG 271.A NE HIS 265.A O no hydrogen 2.847 N/A ARG 271.A NH1 GLU 169.A OE1 no hydrogen 3.468 N/A ARG 271.A NH1 GLU 169.A OE2 no hydrogen 2.890 N/A ARG 271.A NH1 ALA 180.A O no hydrogen 2.872 N/A ARG 271.A NH2 GLU 169.A OE1 no hydrogen 2.907 N/A ARG 271.A NH2 HIS 265.A O no hydrogen 3.109 N/A ARG 271.A NH2 TYR 266.A O no hydrogen 2.926 N/A ILE 272.A N GLN 262.A O no hydrogen 3.042 N/A ALA 276.A N SER 273.A OG no hydrogen 3.059 N/A ALA 277.A N SER 273.A O no hydrogen 2.883 N/A LEU 278.A N ALA 274.A O no hydrogen 3.004 N/A LEU 278.A N LYS 275.A O no hydrogen 3.247 N/A ALA 279.A N ALA 276.A O no hydrogen 2.960 N/A HIS 280.A N ALA 277.A O no hydrogen 2.988 N/A HIS 280.A NE2 SER 258.A OG no hydrogen 2.675 N/A PHE 282.A N HIS 280.A ND1 no hydrogen 2.945 N/A PHE 283.A N HIS 280.A O no hydrogen 2.972 N/A GLN 284.A N PRO 281.A O no hydrogen 3.054 N/A VAL 286.A N PHE 283.A O no hydrogen 3.181 N/A ARG 294.A NE HIS 292.A NE2 no hydrogen 3.254 N/A