Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kpz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ARG 198.A O no hydrogen 2.847 N/A ARG 2.A NH2 ARG 198.A O no hydrogen 3.151 N/A GLN 9.A N SER 6.A OG no hydrogen 3.084 N/A GLN 10.A N SER 6.A O no hydrogen 2.983 N/A ARG 11.A N GLU 7.A O no hydrogen 3.020 N/A ILE 12.A N GLU 8.A O no hydrogen 2.827 N/A ILE 13.A N GLN 9.A O no hydrogen 3.096 N/A ALA 14.A N GLN 10.A O no hydrogen 2.979 N/A ILE 15.A N ARG 11.A O no hydrogen 2.839 N/A LEU 16.A N ILE 12.A O no hydrogen 2.953 N/A LEU 17.A N ILE 13.A O no hydrogen 2.962 N/A ASP 18.A N ALA 14.A O no hydrogen 3.000 N/A ALA 19.A N ILE 15.A O no hydrogen 2.895 N/A HIS 20.A N LEU 16.A O no hydrogen 2.891 N/A HIS 21.A N LEU 17.A O no hydrogen 2.934 N/A LYS 22.A N ASP 18.A O no hydrogen 3.041 N/A THR 23.A N ALA 19.A O no hydrogen 3.170 N/A THR 23.A N HIS 20.A O no hydrogen 3.117 N/A THR 23.A OG1 ALA 19.A O no hydrogen 2.736 N/A THR 23.A OG1 HIS 20.A O no hydrogen 3.528 N/A TYR 24.A OH TYR 28.A OH no hydrogen 2.875 N/A THR 27.A N ASP 25.A OD1 no hydrogen 2.923 N/A THR 27.A OG1 ASP 25.A OD1 no hydrogen 2.618 N/A THR 27.A OG1 ASP 25.A OD2 no hydrogen 3.248 N/A TYR 28.A N ASP 25.A O no hydrogen 3.048 N/A TYR 28.A OH TYR 24.A OH no hydrogen 2.875 N/A SER 29.A N ASP 25.A OD2 no hydrogen 3.059 N/A SER 29.A OG ASP 25.A OD2 no hydrogen 2.704 N/A PHE 31.A N TYR 28.A O no hydrogen 3.314 N/A CYS 32.A SG SER 29.A O no hydrogen 3.777 N/A GLN 33.A N ASP 30.A O no hydrogen 2.839 N/A PHE 34.A N PHE 31.A O no hydrogen 3.183 N/A ARG 35.A N ASP 62.A OD1 no hydrogen 2.882 N/A ARG 35.A NE ASP 62.A OD1 no hydrogen 3.042 N/A ARG 35.A NE ASP 62.A OD2 no hydrogen 3.422 N/A ARG 35.A NH1 MET 242.A O no hydrogen 3.064 N/A ARG 35.A NH2 ASP 62.A OD2 no hydrogen 2.837 N/A ARG 35.A NH2 LEU 244.A O no hydrogen 3.019 N/A ARG 39.A NE ASP 129.A OD1 no hydrogen 2.636 N/A ARG 39.A NE ASP 129.A OD2 no hydrogen 3.357 N/A ARG 39.A NH1 ASP 122.A O no hydrogen 3.206 N/A ARG 39.A NH2 ASP 122.A O no hydrogen 3.041 N/A ARG 39.A NH2 ASP 129.A OD2 no hydrogen 3.441 N/A GLY 45.A N ASP 42.A O no hydrogen 2.815 N/A SER 46.A N ASP 42.A OD1 no hydrogen 2.718 N/A LEU 49.A N SER 46.A OG no hydrogen 3.008 N/A GLU 50.A N SER 46.A O no hydrogen 2.872 N/A LEU 51.A N VAL 47.A O no hydrogen 2.820 N/A SER 52.A N THR 48.A O no hydrogen 2.903 N/A SER 52.A OG THR 48.A O no hydrogen 3.275 N/A SER 52.A OG LEU 49.A O no hydrogen 2.718 N/A GLN 53.A N LEU 49.A O no hydrogen 3.072 N/A LEU 54.A N GLU 50.A O no hydrogen 2.659 N/A SER 55.A OG VAL 38.A O no hydrogen 3.007 N/A MET 56.A N LYS 132.A O no hydrogen 3.490 N/A LEU 57.A N LEU 54.A O no hydrogen 3.126 N/A HIS 59.A ND1 ARG 35.A O no hydrogen 2.848 N/A HIS 59.A NE2 TYR 125.A OH no hydrogen 2.771 N/A LEU 60.A N MET 56.A O no hydrogen 2.993 N/A ALA 61.A N LEU 57.A O no hydrogen 2.706 N/A ASP 62.A N PRO 58.A O no hydrogen 3.050 N/A LEU 63.A N HIS 59.A O no hydrogen 2.947 N/A VAL 64.A N LEU 60.A O no hydrogen 2.800 N/A SER 65.A N ALA 61.A O no hydrogen 2.838 N/A SER 65.A OG THR 245.A OG1 no hydrogen 2.869 N/A TYR 66.A N ASP 62.A O no hydrogen 2.883 N/A TYR 66.A OH ASP 30.A OD2 no hydrogen 2.707 N/A SER 67.A N LEU 63.A O no hydrogen 2.899 N/A SER 67.A OG LEU 63.A O no hydrogen 2.781 N/A ILE 68.A N VAL 64.A O no hydrogen 2.851 N/A GLN 69.A N SER 65.A O no hydrogen 3.146 N/A LYS 70.A N TYR 66.A O no hydrogen 3.147 N/A VAL 71.A N SER 67.A O no hydrogen 2.866 N/A ILE 72.A N ILE 68.A O no hydrogen 2.871 N/A GLY 73.A N GLN 69.A O no hydrogen 3.078 N/A PHE 74.A N LYS 70.A O no hydrogen 2.800 N/A ALA 75.A N VAL 71.A O no hydrogen 2.839 N/A LYS 76.A N ILE 72.A O no hydrogen 3.121 N/A MET 77.A N PHE 74.A O no hydrogen 3.018 N/A ILE 78.A N ALA 75.A O no hydrogen 3.018 N/A PHE 81.A N ILE 78.A O no hydrogen 2.920 N/A ASP 83.A N GLY 80.A O no hydrogen 2.830 N/A LEU 84.A N PHE 81.A O no hydrogen 3.131 N/A ASP 88.A N THR 85.A OG1 no hydrogen 3.086 N/A GLN 89.A N THR 85.A O no hydrogen 2.868 N/A GLN 89.A NE2 LEU 84.A O no hydrogen 2.953 N/A ILE 90.A N SER 86.A O no hydrogen 3.001 N/A VAL 91.A N GLU 87.A O no hydrogen 3.104 N/A LEU 92.A N ASP 88.A O no hydrogen 3.012 N/A LEU 93.A N GLN 89.A O no hydrogen 3.038 N/A LYS 94.A N ILE 90.A O no hydrogen 2.958 N/A LYS 94.A NZ GLU 250.A OE1 no hydrogen 2.728 N/A SER 95.A N VAL 91.A O no hydrogen 3.077 N/A SER 95.A OG VAL 91.A O no hydrogen 2.847 N/A SER 95.A OG LEU 92.A O no hydrogen 3.151 N/A SER 96.A N LEU 92.A O no hydrogen 3.070 N/A SER 96.A OG LEU 92.A O no hydrogen 2.793 N/A ALA 97.A N LEU 93.A O no hydrogen 2.892 N/A VAL 100.A N SER 96.A O no hydrogen 2.894 N/A ILE 101.A N ALA 97.A O no hydrogen 3.077 N/A MET 102.A N ILE 98.A O no hydrogen 3.070 N/A LEU 103.A N GLU 99.A O no hydrogen 2.965 N/A ARG 104.A N VAL 100.A O no hydrogen 2.740 N/A ARG 104.A NH2 THR 23.A O no hydrogen 2.916 N/A SER 105.A N ILE 101.A O no hydrogen 2.887 N/A SER 105.A OG MET 102.A O no hydrogen 2.812 N/A ASN 106.A N LEU 103.A O no hydrogen 3.082 N/A ASN 106.A ND2 GLN 147.A O no hydrogen 3.134 N/A ASN 106.A ND2 GLN 147.A OE1 no hydrogen 2.866 N/A GLU 107.A N ARG 104.A O no hydrogen 3.223 N/A SER 108.A N SER 105.A O no hydrogen 3.002 N/A SER 108.A OG SER 105.A O no hydrogen 3.082 N/A PHE 109.A N SER 105.A O no hydrogen 3.081 N/A THR 110.A N SER 115.A O no hydrogen 2.821 N/A ASP 112.A N THR 110.A OG1 no hydrogen 3.212 N/A SER 115.A N THR 110.A O no hydrogen 3.347 N/A SER 115.A OG ASP 113.A OD1 no hydrogen 2.679 N/A SER 115.A OG ASP 113.A OD2 no hydrogen 3.291 N/A SER 115.A OG THR 117.A OG1 no hydrogen 3.219 N/A TRP 116.A N TYR 125.A O no hydrogen 2.985 N/A TRP 116.A NE1 SER 105.A OG no hydrogen 3.036 N/A THR 117.A N SER 108.A O no hydrogen 2.963 N/A THR 117.A OG1 SER 115.A OG no hydrogen 3.219 N/A CYS 118.A N TYR 123.A O no hydrogen 2.934 N/A ASP 122.A N ASN 120.A OD1 no hydrogen 2.613 N/A TYR 123.A N ASN 120.A O no hydrogen 2.986 N/A LYS 124.A N GLN 121.A O no hydrogen 3.175 N/A LYS 124.A NZ ASP 113.A OD2 no hydrogen 2.837 N/A LYS 124.A NZ THR 117.A OG1 no hydrogen 3.100 N/A TYR 125.A N TRP 116.A O no hydrogen 2.817 N/A TYR 125.A OH HIS 59.A NE2 no hydrogen 2.771 N/A ARG 126.A N ASP 129.A OD2 no hydrogen 2.931 N/A ASP 129.A N ARG 126.A O no hydrogen 2.809 N/A VAL 130.A N VAL 127.A O no hydrogen 2.986 N/A THR 131.A N VAL 127.A O no hydrogen 3.098 N/A THR 131.A OG1 SER 128.A O no hydrogen 2.664 N/A LYS 132.A N SER 128.A O no hydrogen 3.151 N/A LYS 132.A NZ SER 128.A O no hydrogen 3.543 N/A ALA 133.A N VAL 130.A O no hydrogen 2.901 N/A GLY 134.A N THR 131.A O no hydrogen 2.888 N/A HIS 135.A N VAL 130.A O no hydrogen 3.363 N/A HIS 135.A ND1 GLN 230.A OE1 no hydrogen 3.052 N/A SER 136.A N GLN 230.A OE1 no hydrogen 2.960 N/A SER 136.A OG GLU 138.A OE1 no hydrogen 3.568 N/A LEU 139.A N SER 136.A O no hydrogen 3.146 N/A ILE 140.A N SER 136.A O no hydrogen 3.270 N/A GLU 141.A N LEU 137.A O no hydrogen 2.927 N/A LEU 143.A N LEU 139.A O no hydrogen 3.006 N/A ILE 144.A N ILE 140.A O no hydrogen 2.958 N/A LYS 145.A N GLU 141.A O no hydrogen 3.027 N/A PHE 146.A N PRO 142.A O no hydrogen 2.842 N/A GLN 147.A N LEU 143.A O no hydrogen 2.905 N/A GLN 147.A NE2 MET 102.A O no hydrogen 3.079 N/A VAL 148.A N ILE 144.A O no hydrogen 2.951 N/A GLY 149.A N LYS 145.A O no hydrogen 2.952 N/A LEU 150.A N PHE 146.A O no hydrogen 2.929 N/A LYS 151.A N GLN 147.A O no hydrogen 2.899 N/A LYS 151.A NZ ASN 106.A O no hydrogen 2.984 N/A LYS 152.A N VAL 148.A O no hydrogen 3.024 N/A LEU 153.A N LEU 150.A O no hydrogen 3.033 N/A ASN 154.A N LYS 151.A O no hydrogen 3.056 N/A HIS 156.A N GLU 159.A OE2 no hydrogen 2.818 N/A HIS 156.A ND1 TYR 196.A OH no hydrogen 2.708 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.656 N/A HIS 160.A N HIS 156.A O no hydrogen 2.989 N/A VAL 161.A N GLU 157.A O no hydrogen 3.004 N/A LEU 162.A N GLU 158.A O no hydrogen 3.262 N/A LEU 163.A N GLU 159.A O no hydrogen 2.963 N/A MET 164.A N HIS 160.A O no hydrogen 3.139 N/A ALA 165.A N VAL 161.A O no hydrogen 3.034 N/A ILE 166.A N LEU 162.A O no hydrogen 2.815 N/A CYS 167.A N LEU 163.A O no hydrogen 2.919 N/A CYS 167.A SG GLU 99.A OE1 no hydrogen 3.420 N/A ILE 168.A N MET 164.A O no hydrogen 3.111 N/A VAL 169.A N ALA 165.A O no hydrogen 3.035 N/A SER 170.A OG ILE 166.A O no hydrogen 3.244 N/A SER 170.A OG CYS 167.A O no hydrogen 2.801 N/A ARG 173.A NH1 GLU 99.A OE2 no hydrogen 3.019 N/A ARG 173.A NH2 GLU 99.A OE1 no hydrogen 2.972 N/A ARG 173.A NH2 CYS 167.A O no hydrogen 3.006 N/A VAL 176.A N ARG 173.A O no hydrogen 3.307 N/A GLN 177.A N ASP 88.A OD2 no hydrogen 2.782 N/A ASP 178.A N ASP 88.A OD1 no hydrogen 2.943 N/A LEU 181.A N ASP 178.A OD2 no hydrogen 3.064 N/A ILE 182.A N ASP 178.A O no hydrogen 3.187 N/A GLU 183.A N ALA 179.A O no hydrogen 2.831 N/A ALA 184.A N ALA 180.A O no hydrogen 2.972 N/A ILE 185.A N LEU 181.A O no hydrogen 3.005 N/A GLN 186.A N ILE 182.A O no hydrogen 2.837 N/A GLN 186.A NE2 ILE 166.A O no hydrogen 3.206 N/A ASP 187.A N GLU 183.A O no hydrogen 2.770 N/A ARG 188.A N ALA 184.A O no hydrogen 3.142 N/A ARG 188.A NH2 PRO 79.A O no hydrogen 3.129 N/A LEU 189.A N ILE 185.A O no hydrogen 3.237 N/A SER 190.A N GLN 186.A O no hydrogen 2.737 N/A SER 190.A OG GLN 186.A O no hydrogen 3.029 N/A ASN 191.A N ASP 187.A O no hydrogen 2.827 N/A THR 192.A N ARG 188.A O no hydrogen 3.255 N/A THR 192.A OG1 ARG 188.A O no hydrogen 2.822 N/A LEU 193.A N LEU 189.A O no hydrogen 2.973 N/A GLN 194.A N SER 190.A O no hydrogen 2.785 N/A THR 195.A N ASN 191.A O no hydrogen 2.863 N/A THR 195.A OG1 ASN 191.A O no hydrogen 2.691 N/A TYR 196.A N THR 192.A O no hydrogen 2.775 N/A TYR 196.A OH HIS 156.A ND1 no hydrogen 2.708 N/A ILE 197.A N LEU 193.A O no hydrogen 2.958 N/A ARG 198.A N GLN 194.A O no hydrogen 3.283 N/A ARG 198.A NE GLN 194.A O no hydrogen 3.260 N/A CYS 199.A N THR 195.A O no hydrogen 3.188 N/A CYS 199.A SG PRO 3.A O no hydrogen 3.867 N/A CYS 199.A SG THR 195.A O no hydrogen 3.367 N/A ARG 200.A N TYR 196.A O no hydrogen 2.782 N/A HIS 201.A N ILE 197.A O no hydrogen 3.188 N/A HIS 201.A ND1 GLU 159.A OE1 no hydrogen 2.553 N/A SER 206.A OG HIS 201.A O no hydrogen 3.423 N/A LYS 212.A N LEU 208.A O no hydrogen 3.101 N/A MET 213.A N LEU 209.A O no hydrogen 2.857 N/A ILE 214.A N TYR 210.A O no hydrogen 2.869 N/A GLN 215.A N ALA 211.A O no hydrogen 2.879 N/A LYS 216.A N LYS 212.A O no hydrogen 3.147 N/A LEU 217.A N MET 213.A O no hydrogen 3.343 N/A LEU 217.A N ILE 214.A O no hydrogen 3.019 N/A ALA 218.A N ILE 214.A O no hydrogen 3.276 N/A ASP 219.A N GLN 215.A O no hydrogen 2.977 N/A LEU 220.A N LYS 216.A O no hydrogen 2.983 N/A ARG 221.A N LEU 217.A O no hydrogen 3.288 N/A ARG 221.A N ALA 218.A O no hydrogen 2.999 N/A ARG 221.A NH1 ASP 172.A O no hydrogen 3.357 N/A ARG 221.A NH2 ASP 172.A OD2 no hydrogen 2.623 N/A SER 222.A N ALA 218.A O no hydrogen 3.340 N/A LEU 223.A N ASP 219.A O no hydrogen 3.014 N/A ASN 224.A N LEU 220.A O no hydrogen 2.842 N/A ASN 224.A ND2 SER 95.A O no hydrogen 2.877 N/A ASN 224.A ND2 GLU 99.A OE2 no hydrogen 2.628 N/A GLU 225.A N ARG 221.A O no hydrogen 3.093 N/A GLU 226.A N SER 222.A O no hydrogen 2.988 N/A HIS 227.A N LEU 223.A O no hydrogen 2.824 N/A SER 228.A N ASN 224.A O no hydrogen 3.009 N/A LYS 229.A N GLU 225.A O no hydrogen 3.125 N/A GLN 230.A N GLU 226.A O no hydrogen 3.052 N/A GLN 230.A NE2 SER 136.A OG no hydrogen 2.909 N/A GLN 230.A NE2 GLU 226.A OE1 no hydrogen 2.773 N/A TYR 231.A N HIS 227.A O no hydrogen 2.800 N/A ARG 232.A N SER 228.A O no hydrogen 3.085 N/A CYS 233.A N LYS 229.A O no hydrogen 3.331 N/A LEU 234.A N GLN 230.A O no hydrogen 2.995 N/A SER 235.A N TYR 231.A O no hydrogen 2.865 N/A SER 235.A OG ARG 232.A O no hydrogen 2.565 N/A PHE 236.A N CYS 233.A O no hydrogen 3.037 N/A GLN 237.A N LEU 234.A O no hydrogen 3.001 N/A CYS 240.A N GLN 237.A O no hydrogen 3.041 N/A CYS 240.A SG LEU 234.A O no hydrogen 3.299 N/A LYS 243.A N CYS 240.A O no hydrogen 2.821 N/A LEU 244.A N SER 241.A O no hydrogen 3.011 N/A THR 245.A OG1 SER 65.A OG no hydrogen 2.869 N/A VAL 248.A N THR 245.A OG1 no hydrogen 3.098 N/A LEU 249.A N THR 245.A O no hydrogen 2.884 N/A GLU 250.A N PRO 246.A O no hydrogen 3.098 N/A VAL 251.A N LEU 247.A O no hydrogen 3.018 N/A PHE 252.A N VAL 248.A O no hydrogen 3.039 N/A