Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kap_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ASN 9.A O no hydrogen 2.959 N/A GLY 6.A N ASN 9.A OD1 no hydrogen 2.962 N/A ASN 9.A ND2 ASN 2.A O no hydrogen 2.996 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.812 N/A HIS 13.A N GLY 10.A O no hydrogen 2.861 N/A TRP 14.A N PRO 11.A O no hydrogen 3.362 N/A TRP 14.A NE1 GLY 4.A O no hydrogen 3.129 N/A TRP 14.A NE1 ASN 9.A O no hydrogen 3.104 N/A LYS 16.A N HIS 13.A O no hydrogen 3.117 N/A LYS 16.A NZ HIS 13.A ND1 no hydrogen 2.997 N/A PHE 18.A N TRP 14.A O no hydrogen 2.930 N/A ALA 21.A N PHE 18.A O no hydrogen 2.869 N/A LYS 22.A N PRO 19.A O no hydrogen 3.177 N/A GLY 23.A N ILE 20.A O no hydrogen 2.795 N/A ARG 25.A N GLU 202.A OE2 no hydrogen 2.961 N/A ARG 25.A NE GLY 193.A O no hydrogen 2.940 N/A ARG 25.A NH2 PRO 135.A O no hydrogen 3.080 N/A ARG 25.A NH2 GLY 193.A O no hydrogen 3.197 N/A ARG 25.A NH2 VAL 204.A O no hydrogen 2.983 N/A GLN 26.A NE2 LEU 200.A O no hydrogen 3.085 N/A GLN 26.A NE2 GLU 202.A OE2 no hydrogen 3.041 N/A SER 27.A N SER 194.A OG no hydrogen 2.857 N/A SER 27.A OG TYR 191.A OH no hydrogen 2.784 N/A ILE 31.A N THR 106.A O no hydrogen 2.756 N/A THR 33.A N ASP 108.A OD1 no hydrogen 2.818 N/A THR 33.A OG1 ASP 108.A OD1 no hydrogen 3.416 N/A THR 33.A OG1 ASP 108.A OD2 no hydrogen 2.642 N/A THR 35.A N ASP 32.A O no hydrogen 3.096 N/A THR 35.A N ASP 32.A OD1 no hydrogen 3.100 N/A THR 35.A OG1 ASP 32.A OD1 no hydrogen 2.804 N/A ALA 36.A N ASP 32.A O no hydrogen 3.037 N/A LYS 37.A N ILE 253.A O no hydrogen 3.275 N/A ASP 39.A N ALA 255.A O no hydrogen 2.943 N/A SER 41.A N ASP 39.A OD1 no hydrogen 2.987 N/A SER 41.A OG ASP 39.A OD1 no hydrogen 2.599 N/A SER 41.A OG ASP 39.A OD2 no hydrogen 3.202 N/A LEU 42.A N ASP 39.A O no hydrogen 2.865 N/A SER 46.A N LYS 78.A O no hydrogen 2.857 N/A SER 48.A N VAL 76.A O no hydrogen 2.890 N/A TYR 49.A OH HIS 120.A NE2 no hydrogen 2.728 N/A ALA 52.A N TYR 49.A O no hydrogen 3.065 N/A SER 54.A OG PHE 173.A O no hydrogen 2.713 N/A LEU 55.A N GLU 67.A O no hydrogen 2.836 N/A ARG 56.A NE GLU 67.A OE2 no hydrogen 2.820 N/A ARG 56.A NH1 GLU 67.A OE1 no hydrogen 2.787 N/A ARG 56.A NH1 GLU 67.A OE2 no hydrogen 3.350 N/A ILE 57.A N ALA 171.A O no hydrogen 2.884 N/A LEU 58.A N ASN 65.A O no hydrogen 2.865 N/A ASN 59.A N LYS 169.A O no hydrogen 2.847 N/A ASN 59.A ND2 ILE 164.A O no hydrogen 3.006 N/A ASN 59.A ND2 ASN 227.A O no hydrogen 3.203 N/A ASN 60.A N ALA 63.A O no hydrogen 3.075 N/A GLY 61.A N ASN 59.A OD1 no hydrogen 2.778 N/A HIS 62.A N ASN 60.A OD1 no hydrogen 2.938 N/A ALA 63.A N ASN 60.A OD1 no hydrogen 2.913 N/A ASN 65.A N LEU 58.A O no hydrogen 2.844 N/A VAL 66.A N PHE 91.A O no hydrogen 2.794 N/A GLU 67.A N ARG 56.A O no hydrogen 2.870 N/A PHE 68.A N ILE 89.A O no hydrogen 3.007 N/A ASP 69.A N THR 53.A O no hydrogen 2.882 N/A SER 71.A N ASP 69.A OD1 no hydrogen 2.857 N/A SER 71.A OG ASP 69.A OD1 no hydrogen 2.602 N/A SER 71.A OG ASP 69.A OD2 no hydrogen 3.339 N/A LYS 74.A N GLN 72.A O no hydrogen 2.986 N/A LYS 74.A NZ THR 53.A OG1 no hydrogen 3.035 N/A LYS 74.A NZ ASP 69.A OD2 no hydrogen 3.373 N/A VAL 76.A N SER 48.A O no hydrogen 3.004 N/A LEU 77.A N TYR 86.A O no hydrogen 2.850 N/A LYS 78.A N SER 46.A O no hydrogen 2.989 N/A GLY 80.A N PRO 44.A O no hydrogen 3.129 N/A LEU 82.A N GLY 79.A O no hydrogen 2.927 N/A TYR 86.A N LEU 77.A O no hydrogen 3.084 N/A TYR 86.A OH ASP 136.A O no hydrogen 2.978 N/A ARG 87.A N TRP 121.A O no hydrogen 2.811 N/A ARG 87.A NE ASP 73.A OD2 no hydrogen 2.506 N/A ARG 87.A NH1 ASP 70.A O no hydrogen 2.918 N/A ARG 87.A NH2 ASP 73.A OD2 no hydrogen 3.237 N/A LEU 88.A N ALA 75.A O no hydrogen 2.852 N/A ILE 89.A N VAL 119.A O no hydrogen 2.869 N/A PHE 91.A N VAL 66.A O no hydrogen 2.942 N/A HIS 92.A N HIS 117.A O no hydrogen 3.045 N/A HIS 92.A ND1 GLN 90.A OE1 no hydrogen 2.742 N/A HIS 94.A N GLU 115.A O no hydrogen 2.861 N/A HIS 94.A ND1 ASN 241.A O no hydrogen 2.751 N/A TRP 95.A N ASN 241.A OD1 no hydrogen 2.847 N/A TRP 95.A NE1 MET 238.A O no hydrogen 2.814 N/A GLY 96.A N ALA 113.A O no hydrogen 3.387 N/A SER 97.A N ASP 240.A OD1 no hydrogen 2.981 N/A SER 97.A OG ASP 240.A OD1 no hydrogen 3.555 N/A SER 97.A OG ASP 240.A OD2 no hydrogen 2.724 N/A GLN 101.A N LEU 98.A O no hydrogen 3.264 N/A GLN 101.A NE2 ASP 240.A OD1 no hydrogen 2.845 N/A SER 103.A N TYR 112.A O no hydrogen 2.948 N/A SER 103.A OG HIS 105.A O no hydrogen 2.763 N/A GLU 104.A N GLU 115.A OE1 no hydrogen 2.860 N/A HIS 105.A N GLU 115.A OE1 no hydrogen 2.830 N/A HIS 105.A ND1 GLU 115.A OE2 no hydrogen 2.841 N/A HIS 105.A NE2 TYR 191.A OH no hydrogen 2.606 N/A THR 106.A N VAL 29.A O no hydrogen 3.399 N/A THR 106.A OG1 ASP 30.A OD1 no hydrogen 2.641 N/A VAL 107.A N LYS 110.A O no hydrogen 2.993 N/A ASP 108.A N ILE 31.A O no hydrogen 2.864 N/A LYS 109.A N ASP 30.A OD1 no hydrogen 2.743 N/A LYS 110.A N VAL 107.A O no hydrogen 2.789 N/A TYR 112.A N SER 103.A OG no hydrogen 2.859 N/A ALA 113.A N LEU 145.A O no hydrogen 3.008 N/A ALA 114.A N LEU 145.A O no hydrogen 3.339 N/A GLU 115.A N HIS 94.A O no hydrogen 2.871 N/A LEU 116.A N ILE 143.A O no hydrogen 2.819 N/A HIS 117.A N HIS 92.A O no hydrogen 2.769 N/A HIS 117.A NE2 GLU 115.A OE2 no hydrogen 2.651 N/A LEU 118.A N LEU 141.A O no hydrogen 2.938 N/A VAL 119.A N GLN 90.A O no hydrogen 2.780 N/A HIS 120.A N ALA 139.A O no hydrogen 2.896 N/A HIS 120.A ND1 ALA 139.A O no hydrogen 3.018 N/A HIS 120.A NE2 TYR 49.A OH no hydrogen 2.728 N/A TRP 121.A N ARG 87.A O no hydrogen 2.985 N/A TRP 121.A NE1 ASP 70.A OD2 no hydrogen 2.833 N/A ASN 122.A N GLY 137.A O no hydrogen 2.812 N/A ASN 122.A ND2 ASP 136.A O no hydrogen 3.106 N/A THR 123.A N THR 85.A O no hydrogen 2.953 N/A THR 123.A OG1 THR 85.A O no hydrogen 3.368 N/A LYS 124.A N ASN 122.A OD1 no hydrogen 3.017 N/A LYS 124.A NZ TYR 125.A OH no hydrogen 3.434 N/A TYR 125.A N ASN 122.A O no hydrogen 3.041 N/A TYR 125.A OH ASP 136.A OD1 no hydrogen 2.569 N/A GLY 126.A N THR 123.A O no hydrogen 3.052 N/A ASP 127.A N TYR 125.A O no hydrogen 2.936 N/A LYS 130.A N ASP 127.A OD1 no hydrogen 2.839 N/A ALA 131.A N ASP 127.A O no hydrogen 2.948 N/A VAL 132.A N PHE 128.A O no hydrogen 2.951 N/A GLN 133.A N LYS 130.A O no hydrogen 3.194 N/A GLN 133.A NE2 GLY 129.A O no hydrogen 3.019 N/A GLN 134.A N ALA 131.A O no hydrogen 2.987 N/A GLY 137.A N GLN 134.A O no hydrogen 3.011 N/A LEU 138.A N CYS 203.A O no hydrogen 2.822 N/A ALA 139.A N HIS 120.A O no hydrogen 2.799 N/A VAL 140.A N THR 205.A O no hydrogen 3.142 N/A LEU 141.A N LEU 118.A O no hydrogen 3.005 N/A GLY 142.A N ILE 207.A O no hydrogen 2.746 N/A ILE 143.A N LEU 116.A O no hydrogen 2.910 N/A LEU 145.A N ALA 114.A O no hydrogen 2.859 N/A LYS 146.A N ILE 213.A O no hydrogen 2.940 N/A GLY 148.A N VAL 215.A O no hydrogen 2.721 N/A LYS 151.A N GLN 219.A OE1 no hydrogen 2.995 N/A LYS 151.A NZ LEU 182.A O no hydrogen 3.111 N/A LEU 154.A N LYS 151.A O no hydrogen 3.081 N/A GLN 155.A N PRO 152.A O no hydrogen 3.179 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 3.069 N/A GLN 155.A NE2 ASP 159.A OD2 no hydrogen 3.122 N/A VAL 157.A N LEU 154.A O no hydrogen 2.985 N/A VAL 158.A N LEU 154.A O no hydrogen 3.105 N/A ASP 159.A N GLN 155.A O no hydrogen 2.911 N/A VAL 160.A N VAL 157.A O no hydrogen 3.198 N/A LEU 161.A N VAL 158.A O no hydrogen 3.209 N/A SER 163.A N VAL 160.A O no hydrogen 2.926 N/A SER 163.A OG VAL 160.A O no hydrogen 2.740 N/A ILE 164.A N LEU 161.A O no hydrogen 2.990 N/A LYS 165.A NZ.A GLU 235.A OE2 no hydrogen 3.402 N/A LYS 165.A NZ.B ASN 227.A OD1 no hydrogen 3.345 N/A LYS 167.A N ASN 229.A O no hydrogen 2.920 N/A GLY 168.A N ASN 59.A O no hydrogen 2.764 N/A LYS 169.A N THR 166.A O no hydrogen 3.105 N/A ALA 171.A N ILE 57.A O no hydrogen 2.892 N/A PHE 173.A N LEU 55.A O no hydrogen 2.986 N/A THR 174.A OG1 ASN 175.A OD1 no hydrogen 3.402 N/A PHE 176.A N SER 54.A OG no hydrogen 2.830 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 3.009 N/A ARG 179.A NE ASP 177.A OD1 no hydrogen 3.055 N/A ARG 179.A NE ASP 177.A OD2 no hydrogen 3.248 N/A ARG 179.A NH1 ASP 50.A OD1 no hydrogen 3.267 N/A ARG 179.A NH2 ASP 177.A OD2 no hydrogen 3.026 N/A GLY 180.A N ASP 177.A O no hydrogen 3.106 N/A LEU 181.A N PRO 178.A O no hydrogen 2.963 N/A LEU 182.A N ARG 179.A O no hydrogen 3.344 N/A GLU 184.A N GLU 211.A OE2 no hydrogen 3.216 N/A SER 185.A N GLU 211.A OE1 no hydrogen 2.817 N/A ASP 187.A N SER 185.A OG no hydrogen 3.092 N/A TYR 188.A N SER 256.A OG no hydrogen 2.927 N/A TYR 188.A OH LYS 43.A O no hydrogen 2.760 N/A TRP 189.A N VAL 208.A O no hydrogen 2.810 N/A THR 190.A N LYS 254.A O no hydrogen 2.854 N/A THR 190.A OG1 TRP 206.A O no hydrogen 2.740 N/A TYR 191.A N TRP 206.A O no hydrogen 3.215 N/A TYR 191.A OH SER 27.A OG no hydrogen 2.784 N/A TYR 191.A OH HIS 105.A NE2 no hydrogen 2.606 N/A GLY 193.A N VAL 204.A O no hydrogen 2.809 N/A SER 194.A N SER 27.A OG no hydrogen 2.901 N/A SER 194.A OG LEU 195.A O no hydrogen 2.796 N/A LEU 195.A N LEU 201.A O no hydrogen 2.930 N/A THR 196.A OG1 GLU 104.A OE1 no hydrogen 2.624 N/A THR 196.A OG1 GLU 104.A OE2 no hydrogen 3.422 N/A THR 197.A OG1 PRO 198.A O no hydrogen 3.288 N/A LEU 200.A N THR 197.A O no hydrogen 2.731 N/A CYS 203.A N LEU 201.A O no hydrogen 2.991 N/A CYS 203.A SG LEU 201.A O no hydrogen 3.734 N/A VAL 204.A N GLY 193.A O no hydrogen 3.232 N/A THR 205.A N LEU 138.A O no hydrogen 2.886 N/A TRP 206.A N TYR 191.A O no hydrogen 2.989 N/A TRP 206.A NE1 SER 194.A O no hydrogen 2.929 N/A ILE 207.A N VAL 140.A O no hydrogen 2.990 N/A VAL 208.A N TRP 189.A O no hydrogen 2.824 N/A LEU 209.A N GLY 142.A O no hydrogen 2.825 N/A LYS 210.A N ASP 187.A O no hydrogen 2.955 N/A LYS 210.A NZ ASP 187.A OD2 no hydrogen 3.033 N/A ILE 213.A N PHE 144.A O no hydrogen 2.864 N/A SER 214.A OG.B SER 149.A O no hydrogen 2.776 N/A VAL 215.A N LYS 146.A O no hydrogen 2.909 N/A SER 216.A N GLN 219.A OE1 no hydrogen 3.108 N/A SER 217.A OG.A GLU 218.A OE1 no hydrogen 2.992 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.742 N/A GLN 219.A N SER 216.A OG no hydrogen 3.083 N/A GLN 219.A NE2 LYS 151.A O no hydrogen 2.999 N/A GLN 219.A NE2 GLN 155.A OE1 no hydrogen 2.902 N/A VAL 220.A N SER 216.A O no hydrogen 3.016 N/A LEU 221.A N SER 217.A O.A no hydrogen 2.839 N/A LEU 221.A N SER 217.A O.B no hydrogen 2.878 N/A LYS 222.A N GLU 218.A O no hydrogen 3.341 N/A LYS 222.A N GLN 219.A O no hydrogen 3.190 N/A PHE 223.A N GLN 219.A O no hydrogen 3.485 N/A ARG 224.A N VAL 220.A O no hydrogen 3.230 N/A ARG 224.A NE GLY 96.A O no hydrogen 2.848 N/A ARG 224.A NH2 ASP 99.A OD1 no hydrogen 2.823 N/A LYS 225.A N LYS 222.A O no hydrogen 3.195 N/A LEU 226.A N PHE 223.A O no hydrogen 3.196 N/A ASN 227.A N LYS 165.A O.A no hydrogen 2.892 N/A ASN 227.A N LYS 165.A O.B no hydrogen 2.869 N/A ASN 227.A ND2 GLU 235.A OE2 no hydrogen 2.845 N/A PHE 228.A N GLU 236.A O no hydrogen 2.892 N/A ASN 229.A ND2 ASN 227.A OD1 no hydrogen 3.189 N/A ASN 229.A ND2 GLY 230.A O no hydrogen 3.016 N/A GLY 230.A N GLU 233.A OE1 no hydrogen 2.922 N/A GLU 233.A N GLY 230.A O no hydrogen 3.173 N/A GLU 236.A N ASN 229.A OD1 no hydrogen 2.749 N/A MET 238.A N LEU 226.A O no hydrogen 2.715 N/A ASN 241.A N TRP 95.A O no hydrogen 3.333 N/A ASN 241.A ND2 HIS 62.A O no hydrogen 2.981 N/A TRP 242.A NE1 ASP 240.A OD1 no hydrogen 2.981 N/A ARG 243.A N GLU 104.A OE2 no hydrogen 2.804 N/A ARG 243.A NH1 GLN 26.A OE1 no hydrogen 2.768 N/A ARG 243.A NH1 SER 27.A O no hydrogen 2.829 N/A ARG 243.A NH2 ALA 21.A O no hydrogen 3.136 N/A ARG 243.A NH2 GLN 26.A OE1 no hydrogen 3.319 N/A GLN 246.A N PRO 28.A O no hydrogen 2.797 N/A GLN 246.A NE2 PRO 244.A O no hydrogen 2.814 N/A LYS 249.A NZ GLY 23.A O no hydrogen 2.991 N/A ARG 251.A NE LEU 248.A O no hydrogen 2.825 N/A ARG 251.A NH1 GLN 26.A O no hydrogen 3.011 N/A ARG 251.A NH1 PRO 192.A O no hydrogen 2.916 N/A ARG 251.A NH2 GLN 26.A O no hydrogen 2.771 N/A ARG 251.A NH2 PRO 247.A O no hydrogen 2.857 N/A LYS 254.A N THR 190.A O no hydrogen 2.990 N/A ALA 255.A N LYS 37.A O no hydrogen 2.855 N/A SER 256.A N TYR 188.A O no hydrogen 2.823 N/A SER 256.A OG TYR 188.A O no hydrogen 3.384 N/A