Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kce_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLU 5.A OE2 no hydrogen 3.053 N/A GLN 2.A N GLN 2.A OE1 no hydrogen 2.744 N/A GLN 2.A NE2 ARG 34.A O no hydrogen 3.114 N/A TYR 3.A OH VAL 169.A O no hydrogen 2.714 N/A GLU 5.A N LYS 1.A O no hydrogen 3.096 N/A LEU 6.A N GLN 2.A O no hydrogen 3.189 N/A MET 7.A N TYR 3.A O no hydrogen 3.081 N/A GLN 8.A N LEU 4.A O no hydrogen 3.199 N/A GLN 8.A NE2 GLN 8.A O no hydrogen 3.416 N/A GLN 8.A NE2 ASP 12.A OD1 no hydrogen 2.888 N/A LYS 9.A N GLU 5.A O no hydrogen 2.973 N/A VAL 10.A N LEU 6.A O no hydrogen 2.901 N/A LEU 11.A N MET 7.A O no hydrogen 3.033 N/A ASP 12.A N GLN 8.A O no hydrogen 2.736 N/A GLU 13.A N LYS 9.A O no hydrogen 2.843 N/A THR 15.A N SER 27.A O no hydrogen 2.793 N/A LYS 17.A N THR 25.A O no hydrogen 2.901 N/A LYS 17.A NZ ASP 204.A OD2 no hydrogen 3.103 N/A ARG 20.A NH1 ILE 263.A OXT no hydrogen 2.961 N/A ARG 20.A NH2 ILE 263.A OXT no hydrogen 3.269 N/A THR 21.A N ASP 19.A OD2 no hydrogen 3.180 N/A THR 21.A OG1 ASP 19.A OD1 no hydrogen 3.317 N/A THR 21.A OG1 ASP 19.A OD2 no hydrogen 2.614 N/A THR 21.A OG1 THR 23.A OG1 no hydrogen 2.690 N/A GLY 22.A N ASP 19.A O no hydrogen 2.819 N/A THR 23.A N THR 21.A OG1 no hydrogen 3.379 N/A THR 23.A OG1 THR 21.A OG1 no hydrogen 2.690 N/A GLY 24.A N ASP 19.A OD1 no hydrogen 2.815 N/A THR 25.A N LYS 17.A O no hydrogen 2.848 N/A LEU 26.A N LEU 207.A O no hydrogen 2.852 N/A SER 27.A N THR 15.A O no hydrogen 2.801 N/A SER 27.A OG ILE 28.A O no hydrogen 3.386 N/A SER 27.A OG ASP 204.A OD1 no hydrogen 2.828 N/A ILE 28.A N THR 205.A O no hydrogen 2.908 N/A GLY 30.A N GLY 203.A O no hydrogen 3.187 N/A GLN 32.A NE2 THR 201.A OG1 no hydrogen 3.010 N/A MET 33.A N TRP 200.A O no hydrogen 2.890 N/A ARG 34.A NH1 ASP 197.A OD2 no hydrogen 3.069 N/A PHE 35.A N PHE 198.A O no hydrogen 2.809 N/A LEU 37.A N GLY 196.A O no hydrogen 3.041 N/A GLN 38.A N ASN 36.A OD1 no hydrogen 2.989 N/A ASP 39.A N ASN 36.A O no hydrogen 2.980 N/A GLY 40.A N LEU 37.A O no hydrogen 3.381 N/A PHE 41.A N PRO 227.A O no hydrogen 2.833 N/A LEU 43.A N PHE 41.A O no hydrogen 2.802 N/A LYS 47.A NZ PHE 170.A O no hydrogen 3.085 N/A CYS 49.A N TYR 251.A OH no hydrogen 2.999 N/A CYS 49.A SG LYS 47.A O no hydrogen 3.922 N/A ARG 52.A NH2 ASN 74.A O no hydrogen 2.808 N/A SER 53.A N HIS 50.A O no hydrogen 3.285 N/A ILE 55.A N LEU 51.A O no hydrogen 2.868 N/A HIS 56.A N ARG 52.A O no hydrogen 3.189 N/A HIS 56.A ND1 TYR 70.A OH no hydrogen 3.124 N/A GLU 57.A N SER 53.A O no hydrogen 3.030 N/A LEU 58.A N ILE 54.A O no hydrogen 3.237 N/A LEU 59.A N ILE 55.A O no hydrogen 3.088 N/A TRP 60.A N HIS 56.A O no hydrogen 3.022 N/A TRP 60.A NE1 ASN 67.A O no hydrogen 2.807 N/A PHE 61.A N GLU 57.A O no hydrogen 2.972 N/A LEU 62.A N LEU 58.A O no hydrogen 3.009 N/A GLN 63.A N LEU 59.A O no hydrogen 3.001 N/A GLN 63.A N TRP 60.A O no hydrogen 3.173 N/A GLY 64.A N PHE 61.A O no hydrogen 3.007 N/A ASP 65.A N TRP 60.A O no hydrogen 3.362 N/A ASN 67.A N ASP 65.A OD1 no hydrogen 3.009 N/A ASN 67.A ND2 ASN 86.A O no hydrogen 2.954 N/A ASN 67.A ND2 ASP 88.A OD1 no hydrogen 2.755 N/A ILE 68.A N GLY 87.A O no hydrogen 2.995 N/A ALA 69.A N ASN 67.A OD1 no hydrogen 2.898 N/A TYR 70.A OH HIS 56.A ND1 no hydrogen 3.124 N/A HIS 72.A N ILE 68.A O no hydrogen 2.864 N/A HIS 72.A NE2 ASP 80.A OD1 no hydrogen 2.716 N/A HIS 72.A NE2 ASP 80.A OD2 no hydrogen 3.257 N/A GLU 73.A N ALA 69.A O no hydrogen 2.890 N/A ASN 74.A N LEU 71.A O no hydrogen 2.903 N/A ASN 75.A N HIS 72.A O no hydrogen 2.872 N/A VAL 76.A N LEU 71.A O no hydrogen 2.905 N/A TRP 79.A NE1 GLU 57.A OE2 no hydrogen 2.846 N/A ASP 80.A N THR 77.A O no hydrogen 3.314 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.842 N/A TRP 82.A N TRP 79.A O no hydrogen 3.291 N/A TRP 82.A NE1 ILE 263.A OXT no hydrogen 3.167 N/A ALA 83.A N ASP 80.A O no hydrogen 3.211 N/A ASP 84.A N ASP 88.A O no hydrogen 2.962 N/A ASN 86.A N ASP 84.A OD1 no hydrogen 2.822 N/A GLY 87.A N ASP 84.A O no hydrogen 2.846 N/A ASP 88.A N ASP 84.A OD1 no hydrogen 2.862 N/A LEU 89.A N THR 66.A O no hydrogen 3.079 N/A VAL 92.A N GLY 90.A O no hydrogen 2.675 N/A LYS 95.A NZ GLU 136.A OE1 no hydrogen 3.226 N/A GLN 96.A N VAL 92.A O no hydrogen 3.228 N/A GLN 96.A NE2 PRO 91.A O no hydrogen 2.887 N/A GLN 96.A NE2 GLU 136.A OE1 no hydrogen 2.974 N/A TRP 97.A N TYR 93.A O no hydrogen 2.957 N/A ARG 98.A N GLY 94.A O no hydrogen 3.213 N/A ARG 98.A NE ASP 109.A OD1 no hydrogen 3.018 N/A ARG 98.A NE ASP 109.A OD2 no hydrogen 3.365 N/A ARG 98.A NH1 LEU 62.A O no hydrogen 2.751 N/A ARG 98.A NH2 ASP 109.A OD2 no hydrogen 2.941 N/A ALA 99.A N LYS 95.A O no hydrogen 2.660 N/A TRP 100.A N ILE 108.A O no hydrogen 2.861 N/A THR 102.A N ARG 106.A O no hydrogen 2.972 N/A THR 102.A OG1 ASP 104.A OD1 no hydrogen 2.625 N/A THR 102.A OG1 ARG 106.A O no hydrogen 3.319 N/A ARG 106.A N THR 102.A OG1 no hydrogen 3.004 N/A ARG 106.A NH1 ASP 104.A OD1 no hydrogen 2.792 N/A HIS 107.A ND1 ALA 99.A O no hydrogen 3.342 N/A ILE 108.A N TRP 100.A O no hydrogen 2.829 N/A GLN 110.A NE2 GLN 96.A O no hydrogen 2.763 N/A GLN 110.A NE2 SER 130.A O no hydrogen 2.857 N/A ILE 111.A N TRP 97.A O no hydrogen 3.355 N/A THR 112.A N ASP 109.A OD1 no hydrogen 3.362 N/A THR 112.A OG1 ASP 109.A OD2 no hydrogen 2.765 N/A THR 113.A N ASP 109.A O no hydrogen 3.090 N/A THR 113.A OG1 ASP 109.A O no hydrogen 3.397 N/A THR 113.A OG1 GLN 110.A O no hydrogen 2.749 N/A VAL 114.A N GLN 110.A O no hydrogen 2.948 N/A LEU 115.A N ILE 111.A O no hydrogen 3.006 N/A ASN 116.A N THR 112.A O no hydrogen 2.916 N/A GLN 117.A N THR 113.A O no hydrogen 2.886 N/A LEU 118.A N VAL 114.A O no hydrogen 2.862 N/A LYS 119.A N LEU 115.A O no hydrogen 3.146 N/A LYS 119.A N ASN 116.A O no hydrogen 3.256 N/A ASN 120.A N ASN 116.A O no hydrogen 2.828 N/A ASN 120.A ND2 ASN 116.A O no hydrogen 3.096 N/A ASP 121.A N GLN 117.A O no hydrogen 2.739 N/A SER 124.A N ASP 121.A O no hydrogen 2.848 N/A ARG 126.A N SER 124.A OG no hydrogen 3.118 N/A VAL 129.A N PHE 149.A O no hydrogen 2.924 N/A SER 130.A N GLN 110.A OE1 no hydrogen 2.949 N/A ALA 131.A N ALA 147.A O no hydrogen 2.894 N/A TRP 132.A N SER 130.A OG no hydrogen 3.179 N/A ASN 133.A N ALA 131.A O no hydrogen 2.945 N/A ASN 133.A ND2 GLN 96.A OE1 no hydrogen 2.814 N/A GLU 136.A N ASN 133.A O no hydrogen 2.929 N/A LEU 137.A N VAL 134.A O no hydrogen 3.412 N/A LYS 139.A N GLU 136.A O no hydrogen 2.851 N/A LYS 139.A NZ GLU 136.A OE2 no hydrogen 2.908 N/A MET 140.A N LEU 137.A O no hydrogen 3.172 N/A ALA 141.A N LEU 89.A O no hydrogen 2.795 N/A CYS 145.A N TYR 93.A OH no hydrogen 2.812 N/A CYS 145.A SG ALA 143.A O no hydrogen 3.936 N/A HIS 146.A ND1 TYR 180.A OH no hydrogen 2.649 N/A ALA 147.A N TYR 163.A O no hydrogen 3.192 N/A PHE 149.A N VAL 129.A O no hydrogen 2.931 N/A GLN 150.A N GLN 161.A O no hydrogen 2.886 N/A PHE 151.A N ILE 127.A O no hydrogen 2.852 N/A TYR 152.A N SER 159.A O no hydrogen 3.093 N/A ALA 154.A N LYS 157.A O no hydrogen 3.063 N/A LYS 157.A N ALA 154.A O no hydrogen 2.862 N/A LEU 158.A N GLU 194.A O no hydrogen 2.762 N/A SER 159.A N TYR 152.A O no hydrogen 2.729 N/A SER 159.A OG ASP 197.A O no hydrogen 3.448 N/A CYS 160.A N ASP 197.A O no hydrogen 3.004 N/A CYS 160.A SG GLN 150.A O no hydrogen 3.902 N/A GLN 161.A N GLN 150.A O no hydrogen 2.891 N/A LEU 162.A N VAL 199.A O no hydrogen 2.914 N/A TYR 163.A N PHE 148.A O no hydrogen 2.779 N/A GLN 164.A N THR 201.A O no hydrogen 2.840 N/A GLN 164.A NE2 SER 166.A O no hydrogen 3.184 N/A GLN 164.A NE2 ASN 176.A OD1 no hydrogen 2.866 N/A ARG 165.A N CYS 145.A O no hydrogen 2.917 N/A ARG 165.A NE PRO 144.A O no hydrogen 2.893 N/A ARG 165.A NH2 ALA 143.A O no hydrogen 3.047 N/A CYS 167.A N ASP 204.A O no hydrogen 2.797 N/A VAL 169.A N HIS 206.A O no hydrogen 2.901 N/A LEU 171.A N ASP 168.A OD1 no hydrogen 3.143 N/A LEU 173.A N ASP 168.A O no hydrogen 2.981 N/A ASN 176.A N GLY 172.A O no hydrogen 2.995 N/A ILE 177.A N LEU 173.A O no hydrogen 2.926 N/A ALA 178.A N PRO 174.A O no hydrogen 3.309 N/A SER 179.A N PHE 175.A O no hydrogen 2.920 N/A TYR 180.A N ASN 176.A O no hydrogen 3.244 N/A TYR 180.A OH HIS 146.A ND1 no hydrogen 2.649 N/A ALA 181.A N ILE 177.A O no hydrogen 3.112 N/A LEU 182.A N ALA 178.A O no hydrogen 3.044 N/A LEU 183.A N SER 179.A O no hydrogen 3.050 N/A VAL 184.A N TYR 180.A O no hydrogen 2.886 N/A HIS 185.A N ALA 181.A O no hydrogen 3.247 N/A MET 186.A N LEU 182.A O no hydrogen 3.062 N/A MET 187.A N LEU 183.A O no hydrogen 2.860 N/A ALA 188.A N VAL 184.A O no hydrogen 2.836 N/A GLN 189.A N HIS 185.A O no hydrogen 2.936 N/A GLN 189.A NE2 ARG 233.A O no hydrogen 3.193 N/A GLN 190.A N MET 186.A O no hydrogen 3.063 N/A GLN 190.A NE2 PRO 235.A O no hydrogen 3.217 N/A GLN 190.A NE2 TYR 241.A OH no hydrogen 2.936 N/A CYS 191.A N MET 187.A O no hydrogen 3.027 N/A CYS 191.A N ALA 188.A O no hydrogen 3.218 N/A CYS 191.A SG MET 187.A O no hydrogen 3.361 N/A ASP 192.A N GLN 189.A O no hydrogen 3.486 N/A LEU 193.A N ALA 188.A O no hydrogen 2.838 N/A GLU 194.A N GLY 156.A O no hydrogen 2.936 N/A GLY 196.A N LEU 158.A O no hydrogen 2.721 N/A ASP 197.A N SER 159.A OG no hydrogen 2.971 N/A PHE 198.A N PHE 35.A O no hydrogen 2.854 N/A VAL 199.A N CYS 160.A O no hydrogen 2.778 N/A TRP 200.A N MET 33.A O no hydrogen 2.778 N/A TRP 200.A NE1 GLN 164.A OE1 no hydrogen 2.909 N/A THR 201.A N LEU 162.A O no hydrogen 2.949 N/A THR 201.A OG1 GLN 161.A OE1 no hydrogen 2.768 N/A GLY 202.A N HIS 31.A O no hydrogen 2.962 N/A GLY 203.A N GLN 164.A O no hydrogen 2.808 N/A ASP 204.A N ARG 165.A O no hydrogen 2.853 N/A THR 205.A N ILE 28.A O no hydrogen 3.034 N/A THR 205.A OG1 GLY 203.A O no hydrogen 3.182 N/A HIS 206.A N CYS 167.A O no hydrogen 2.910 N/A HIS 206.A ND1 ASP 204.A O no hydrogen 3.106 N/A HIS 206.A ND1 ASP 204.A OD1 no hydrogen 2.929 N/A LEU 207.A N LEU 26.A O no hydrogen 2.937 N/A SER 209.A N GLY 24.A O no hydrogen 3.008 N/A SER 209.A OG THR 23.A O no hydrogen 2.886 N/A SER 209.A OG GLY 24.A O no hydrogen 3.278 N/A HIS 211.A N TYR 208.A O no hydrogen 2.967 N/A HIS 211.A NE2 PRO 260.A O no hydrogen 2.785 N/A GLN 214.A N GLN 214.A OE1 no hydrogen 2.654 N/A GLN 214.A NE2 ASN 210.A O no hydrogen 3.648 N/A GLN 214.A NE2 LYS 258.A O no hydrogen 3.423 N/A THR 215.A N HIS 211.A O no hydrogen 2.883 N/A THR 215.A OG1 HIS 211.A O no hydrogen 2.858 N/A HIS 216.A N MET 212.A O no hydrogen 3.064 N/A LEU 217.A N ASP 213.A O no hydrogen 2.998 N/A GLN 218.A N GLN 214.A O no hydrogen 2.905 N/A GLN 218.A NE2 THR 46.A OG1 no hydrogen 3.002 N/A LEU 219.A N THR 215.A O no hydrogen 2.951 N/A SER 220.A N LEU 217.A O no hydrogen 3.328 N/A SER 220.A OG LEU 217.A O no hydrogen 2.665 N/A ARG 221.A N GLN 218.A O no hydrogen 2.980 N/A ARG 221.A NH1 THR 46.A O no hydrogen 2.834 N/A ARG 221.A NH1 PRO 255.A O no hydrogen 2.773 N/A ARG 224.A N THR 45.A OG1 no hydrogen 2.824 N/A ARG 224.A NH1 ASP 252.A O no hydrogen 3.010 N/A LYS 228.A N GLU 249.A O no hydrogen 2.896 N/A LYS 228.A NZ ASP 39.A O no hydrogen 3.477 N/A LYS 228.A NZ LEU 226.A O no hydrogen 2.981 N/A ILE 230.A N GLU 247.A O no hydrogen 2.848 N/A LYS 232.A N ASP 245.A O no hydrogen 2.824 N/A LYS 232.A NZ GLU 244.A O no hydrogen 3.469 N/A LYS 232.A NZ GLU 247.A OE1 no hydrogen 2.911 N/A ARG 233.A NE ASP 245.A OD1 no hydrogen 3.118 N/A ARG 233.A NH2 ASP 240.A O no hydrogen 3.068 N/A ARG 233.A NH2 ASP 245.A OD2 no hydrogen 2.833 N/A LYS 234.A NZ ASP 192.A OD1 no hydrogen 3.323 N/A LYS 234.A NZ ASP 192.A OD2 no hydrogen 3.230 N/A SER 237.A OG ASP 240.A OD2 no hydrogen 2.962 N/A PHE 239.A N SER 237.A OG no hydrogen 3.248 N/A ASP 240.A N SER 237.A O no hydrogen 2.935 N/A TYR 241.A OH GLN 189.A OE1 no hydrogen 2.469 N/A ARG 242.A N ASP 245.A OD2 no hydrogen 2.910 N/A ASP 245.A N ARG 242.A O no hydrogen 3.002 N/A PHE 246.A N PHE 243.A O no hydrogen 3.302 N/A GLU 247.A N ILE 230.A O no hydrogen 2.961 N/A GLU 249.A N LYS 228.A O no hydrogen 2.940 N/A TYR 251.A OH VAL 44.A O no hydrogen 2.716 N/A HIS 254.A N THR 45.A O no hydrogen 2.759 N/A HIS 254.A NE2 GLU 222.A O no hydrogen 2.709 N/A