Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kre_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 VAL 1.A O no hydrogen 3.343 N/A ARG 4.A NE LEU 2.A O no hydrogen 3.084 N/A ARG 4.A NH1 GLU 100.A OE1 no hydrogen 3.080 N/A ARG 4.A NH2 LEU 2.A O no hydrogen 2.791 N/A CYS 5.A N TYR 51.A O no hydrogen 2.959 N/A VAL 7.A N ILE 49.A O no hydrogen 2.804 N/A ALA 10.A N PHE 44.A O no hydrogen 2.970 N/A GLY 11.A N GLN 45.A O no hydrogen 2.850 N/A HIS 13.A NE2 SER 16.A OG no hydrogen 2.783 N/A SER 14.A N HIS 46.A O.A no hydrogen 2.973 N/A SER 14.A N HIS 46.A O.B no hydrogen 2.983 N/A ALA 15.A N HIS 46.A O.A no hydrogen 3.206 N/A ALA 15.A N HIS 46.A O.B no hydrogen 3.263 N/A SER 16.A N ARG 110.A O no hydrogen 2.919 N/A SER 16.A OG HIS 13.A NE2 no hydrogen 2.783 N/A SER 16.A OG GLU 101.A OE1 no hydrogen 2.670 N/A LEU 17.A N LYS 48.A O no hydrogen 2.798 N/A ILE 18.A N LEU 112.A O no hydrogen 2.912 N/A PHE 19.A N ILE 50.A O no hydrogen 2.871 N/A LEU 20.A N GLY 114.A O no hydrogen 2.777 N/A HIS 21.A ND1 GLY 22.A O no hydrogen 2.670 N/A GLY 24.A N ASN 68.A O no hydrogen 2.990 N/A ASP 25.A N GLY 22.A O no hydrogen 3.381 N/A GLY 27.A N THR 53.A OG1 no hydrogen 2.831 N/A GLY 29.A N SER 26.A OG no hydrogen 3.029 N/A LEU 30.A N SER 26.A O no hydrogen 3.010 N/A ARG 31.A N GLY 27.A O no hydrogen 2.995 N/A ARG 31.A NE ASP 41.A OD1 no hydrogen 2.816 N/A ARG 31.A NE ASP 41.A OD2 no hydrogen 3.466 N/A ARG 31.A NH2 ASP 41.A OD2 no hydrogen 2.848 N/A MET 32.A N GLN 28.A O no hydrogen 2.898 N/A TRP 33.A N GLY 29.A O no hydrogen 2.876 N/A ILE 34.A N LEU 30.A O no hydrogen 2.846 N/A LYS 35.A N ARG 31.A O no hydrogen 2.944 N/A GLN 36.A N MET 32.A O no hydrogen 3.018 N/A VAL 37.A N TRP 33.A O no hydrogen 2.927 N/A LEU 38.A N ILE 34.A O no hydrogen 2.923 N/A GLN 40.A N LYS 35.A O no hydrogen 3.086 N/A HIS 46.A NE2.B LEU 222.A O no hydrogen 2.739 N/A LYS 48.A N ALA 15.A O no hydrogen 3.008 N/A LYS 48.A NZ GLU 101.A OE1 no hydrogen 3.216 N/A LYS 48.A NZ GLU 101.A OE2 no hydrogen 2.762 N/A ILE 49.A N VAL 7.A O no hydrogen 2.804 N/A ILE 50.A N LEU 17.A O no hydrogen 2.730 N/A TYR 51.A N CYS 5.A O no hydrogen 2.891 N/A THR 53.A N GLN 3.A O no hydrogen 2.849 N/A ALA 54.A N HIS 21.A NE2 no hydrogen 2.925 N/A ARG 57.A N SER 67.A O no hydrogen 2.955 N/A ARG 57.A NE SER 58.A O no hydrogen 2.847 N/A ARG 57.A NH2 SER 58.A O no hydrogen 3.165 N/A TYR 59.A N GLY 65.A O no hydrogen 2.947 N/A THR 60.A N ASP 72.A OD1 no hydrogen 2.830 N/A THR 60.A OG1 ASP 72.A OD1 no hydrogen 3.453 N/A THR 60.A OG1 ASP 72.A OD2 no hydrogen 2.668 N/A MET 62.A N TYR 59.A O no hydrogen 3.100 N/A LYS 63.A N THR 60.A O no hydrogen 2.817 N/A GLY 64.A N TYR 59.A O no hydrogen 3.007 N/A GLY 65.A N MET 62.A O no hydrogen 3.100 N/A SER 67.A N ARG 57.A O no hydrogen 2.922 N/A TRP 70.A NE1 HIS 21.A O no hydrogen 2.822 N/A ASP 72.A N SER 86.A OG no hydrogen 2.963 N/A ARG 73.A N ASP 72.A OD1 no hydrogen 2.823 N/A ARG 73.A NH1 ASN 145.A OD1 no hydrogen 2.770 N/A THR 77.A N LYS 75.A O no hydrogen 3.163 N/A ASP 79.A N THR 77.A OG1 no hydrogen 3.050 N/A CYS 80.A SG LYS 75.A O no hydrogen 3.982 N/A CYS 80.A SG THR 77.A O no hydrogen 3.892 N/A CYS 80.A SG PRO 81.A O no hydrogen 3.655 N/A HIS 83.A NE2 GLU 85.A OE2 no hydrogen 3.110 N/A SER 86.A OG HIS 83.A O no hydrogen 3.064 N/A ILE 87.A N HIS 83.A O no hydrogen 3.216 N/A ASP 88.A N LEU 84.A O no hydrogen 2.786 N/A VAL 89.A N GLU 85.A O no hydrogen 3.151 N/A MET 90.A N SER 86.A O no hydrogen 3.196 N/A CYS 91.A N ILE 87.A O no hydrogen 2.850 N/A CYS 91.A SG ILE 87.A O no hydrogen 3.484 N/A GLN 92.A N ASP 88.A O no hydrogen 3.228 N/A GLN 92.A N VAL 89.A O no hydrogen 3.232 N/A GLN 92.A NE2 GLN 92.A O no hydrogen 3.249 N/A VAL 93.A N VAL 89.A O no hydrogen 3.261 N/A LEU 94.A N MET 90.A O no hydrogen 2.940 N/A THR 95.A N CYS 91.A O no hydrogen 2.929 N/A THR 95.A OG1 CYS 91.A O no hydrogen 2.694 N/A THR 95.A OG1 HIS 131.A NE2 no hydrogen 2.878 N/A ASP 96.A N GLN 92.A O no hydrogen 3.211 N/A LEU 97.A N VAL 93.A O no hydrogen 3.392 N/A ILE 98.A N LEU 94.A O no hydrogen 2.995 N/A ASP 99.A N THR 95.A O no hydrogen 2.772 N/A GLU 100.A N ASP 96.A O no hydrogen 2.970 N/A GLU 101.A N LEU 97.A O no hydrogen 3.250 N/A VAL 102.A N ILE 98.A O no hydrogen 3.008 N/A LYS 103.A N ASP 99.A O no hydrogen 2.906 N/A SER 104.A N GLU 100.A O no hydrogen 3.086 N/A SER 104.A N GLU 101.A O no hydrogen 3.189 N/A SER 104.A OG GLU 101.A O no hydrogen 2.737 N/A GLY 105.A N VAL 102.A O no hydrogen 2.941 N/A ILE 106.A N GLU 101.A O no hydrogen 3.356 N/A LYS 108.A NZ HIS 131.A ND1 no hydrogen 3.568 N/A ARG 110.A N LYS 107.A O no hydrogen 2.818 N/A ARG 110.A NE SER 14.A O no hydrogen 3.057 N/A ARG 110.A NH1 PRO 223.A O no hydrogen 2.739 N/A ARG 110.A NH2 SER 14.A OG no hydrogen 2.837 N/A ARG 110.A NH2 PRO 223.A O no hydrogen 3.132 N/A ILE 111.A N LYS 108.A O no hydrogen 3.135 N/A LEU 112.A N SER 16.A O no hydrogen 2.988 N/A ILE 113.A N GLY 136.A O no hydrogen 3.271 N/A GLY 114.A N ILE 18.A O no hydrogen 2.992 N/A GLY 115.A N PHE 138.A O no hydrogen 3.127 N/A PHE 116.A N LEU 20.A O no hydrogen 2.964 N/A SER 117.A N LEU 140.A O no hydrogen 2.780 N/A SER 117.A OG HIS 204.A NE2 no hydrogen 3.282 N/A GLY 119.A N PHE 116.A O no hydrogen 2.900 N/A GLY 120.A N SER 117.A O no hydrogen 3.047 N/A CYS 121.A N SER 117.A O no hydrogen 3.434 N/A CYS 121.A SG PHE 143.A O no hydrogen 3.867 N/A MET 122.A N MET 118.A O no hydrogen 2.924 N/A ALA 123.A N GLY 119.A O no hydrogen 2.932 N/A MET 124.A N GLY 120.A O no hydrogen 2.946 N/A HIS 125.A N CYS 121.A O no hydrogen 3.078 N/A LEU 126.A N MET 122.A O no hydrogen 3.039 N/A ALA 127.A N ALA 123.A O no hydrogen 2.933 N/A TYR 128.A N MET 124.A O no hydrogen 2.882 N/A TYR 128.A OH PRO 162.A O no hydrogen 2.716 N/A ARG 129.A N HIS 125.A O no hydrogen 3.124 N/A ARG 129.A NH1 ASP 88.A OD1 no hydrogen 2.933 N/A ARG 129.A NH1 HIS 125.A ND1 no hydrogen 3.073 N/A ARG 129.A NH2 ASP 88.A OD1 no hydrogen 2.824 N/A ASN 130.A N LEU 126.A O no hydrogen 3.182 N/A HIS 131.A N LEU 126.A O no hydrogen 2.904 N/A HIS 131.A NE2 THR 95.A OG1 no hydrogen 2.878 N/A GLN 132.A NE2 TYR 128.A O no hydrogen 2.858 N/A GLN 132.A NE2 SER 157.A OG no hydrogen 2.893 N/A ASP 133.A N ASP 133.A OD1 no hydrogen 2.716 N/A VAL 134.A N HIS 131.A O no hydrogen 3.287 N/A ALA 135.A N ILE 111.A O no hydrogen 2.802 N/A VAL 137.A N GLU 163.A O no hydrogen 2.898 N/A PHE 138.A N ILE 113.A O no hydrogen 3.066 N/A ALA 139.A N PHE 165.A O no hydrogen 2.978 N/A LEU 140.A N GLY 115.A O no hydrogen 2.922 N/A SER 141.A N CYS 167.A O no hydrogen 2.919 N/A SER 142.A OG SER 117.A O no hydrogen 2.665 N/A SER 142.A OG LEU 140.A O no hydrogen 3.373 N/A LEU 144.A N THR 183.A OG1 no hydrogen 2.918 N/A ASN 145.A ND2 CYS 80.A O no hydrogen 2.901 N/A LYS 146.A N ASN 78.A O no hydrogen 2.837 N/A LYS 146.A NZ GLU 182.A OE1 no hydrogen 3.076 N/A LYS 146.A NZ GLU 182.A OE2 no hydrogen 3.227 N/A SER 148.A OG GLU 82.A OE1 no hydrogen 2.740 N/A ALA 149.A N GLU 82.A OE2 no hydrogen 2.738 N/A VAL 150.A N SER 148.A OG no hydrogen 3.039 N/A TYR 151.A N SER 148.A O no hydrogen 3.038 N/A GLN 152.A N SER 148.A O no hydrogen 3.397 N/A GLN 152.A NE2 ALA 147.A O no hydrogen 3.251 N/A ALA 153.A N ALA 149.A O no hydrogen 2.970 N/A LEU 154.A N VAL 150.A O no hydrogen 2.976 N/A GLN 155.A N TYR 151.A O no hydrogen 2.979 N/A LYS 156.A N GLN 152.A O no hydrogen 3.380 N/A SER 157.A N LEU 154.A O no hydrogen 3.109 N/A SER 157.A OG ALA 153.A O no hydrogen 2.804 N/A LEU 164.A N THR 193.A O no hydrogen 3.008 N/A PHE 165.A N VAL 137.A O no hydrogen 2.868 N/A GLN 166.A N LYS 195.A O no hydrogen 2.825 N/A GLN 166.A NE2 SER 142.A O no hydrogen 3.422 N/A GLN 166.A NE2 ALA 180.A O no hydrogen 3.416 N/A CYS 167.A N ALA 139.A O no hydrogen 3.040 N/A HIS 168.A N HIS 197.A O no hydrogen 2.893 N/A HIS 168.A NE2 VAL 175.A O no hydrogen 2.779 N/A THR 170.A N PHE 199.A O no hydrogen 2.898 N/A ALA 171.A N VAL 202.A O no hydrogen 3.162 N/A ASP 172.A N GLY 169.A O no hydrogen 3.276 N/A LEU 174.A N ASP 172.A OD1 no hydrogen 2.798 N/A VAL 175.A N ASP 172.A OD1 no hydrogen 2.963 N/A HIS 177.A ND1 GLU 181.A OE2 no hydrogen 2.883 N/A HIS 177.A NE2 SER 198.A OG.A no hydrogen 2.765 N/A HIS 177.A NE2 SER 198.A OG.B no hydrogen 2.925 N/A TRP 179.A N LEU 176.A O no hydrogen 3.028 N/A ALA 180.A N LEU 176.A O no hydrogen 3.384 N/A GLU 181.A N HIS 177.A O no hydrogen 2.850 N/A GLU 182.A N SER 178.A O no hydrogen 3.000 N/A THR 183.A N TRP 179.A O no hydrogen 3.154 N/A THR 183.A OG1 LEU 144.A O no hydrogen 3.513 N/A THR 183.A OG1 TRP 179.A O no hydrogen 2.925 N/A ASN 184.A N ALA 180.A O no hydrogen 2.998 N/A ASN 184.A ND2 GLN 166.A OE1 no hydrogen 2.890 N/A SER 185.A N GLU 181.A O no hydrogen 2.922 N/A SER 185.A OG GLU 181.A O no hydrogen 2.777 N/A MET 186.A N GLU 182.A O no hydrogen 2.846 N/A LEU 187.A N THR 183.A O no hydrogen 2.983 N/A LYS 188.A N ASN 184.A O no hydrogen 2.980 N/A SER 189.A N SER 185.A O no hydrogen 2.964 N/A SER 189.A OG SER 185.A O no hydrogen 3.468 N/A SER 189.A OG MET 186.A O no hydrogen 2.739 N/A LEU 190.A N MET 186.A O no hydrogen 3.099 N/A LEU 190.A N LEU 187.A O no hydrogen 3.045 N/A GLY 191.A N LYS 188.A O no hydrogen 3.088 N/A VAL 192.A N LEU 187.A O no hydrogen 3.109 N/A THR 194.A OG1 VAL 192.A O no hydrogen 3.318 N/A LYS 195.A N LEU 164.A O no hydrogen 3.031 N/A HIS 197.A N GLN 166.A O no hydrogen 2.780 N/A SER 198.A OG.A HIS 177.A NE2 no hydrogen 2.765 N/A SER 198.A OG.B HIS 177.A NE2 no hydrogen 2.925 N/A PHE 199.A N HIS 168.A O no hydrogen 2.791 N/A TYR 203.A N GLU 205.A OE2 no hydrogen 2.843 N/A HIS 204.A ND1 ASP 172.A OD2 no hydrogen 2.764 N/A SER 207.A N GLU 210.A OE1 no hydrogen 3.092 N/A GLU 210.A N SER 207.A OG no hydrogen 3.078 N/A LEU 211.A N SER 207.A O no hydrogen 3.115 N/A ASP 212.A N LYS 208.A O no hydrogen 2.949 N/A ILE 213.A N THR 209.A O no hydrogen 2.962 N/A LEU 214.A N GLU 210.A O no hydrogen 2.910 N/A LYS 215.A N LEU 211.A O no hydrogen 2.850 N/A LYS 215.A NZ THR 43.A O no hydrogen 3.113 N/A LEU 216.A N ASP 212.A O no hydrogen 3.244 N/A TRP 217.A N ILE 213.A O no hydrogen 3.051 N/A TRP 217.A NE1 GLU 163.A OE2 no hydrogen 2.919 N/A ILE 218.A N LEU 214.A O no hydrogen 2.877 N/A LEU 219.A N LYS 215.A O no hydrogen 3.090 N/A THR 220.A N LEU 216.A O no hydrogen 3.316 N/A THR 220.A N TRP 217.A O no hydrogen 3.033 N/A THR 220.A OG1 TRP 217.A O no hydrogen 2.688 N/A LYS 221.A N TRP 217.A O no hydrogen 3.173 N/A LYS 221.A NZ GLU 163.A OE1 no hydrogen 2.808 N/A LEU 222.A N ILE 218.A O no hydrogen 2.833 N/A