Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k77_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ASP 3.A OD1 no hydrogen 2.972 N/A THR 5.A OG1 ASP 3.A OD1 no hydrogen 2.678 N/A HIS 6.A N ASP 3.A O no hydrogen 3.176 N/A PHE 7.A N ILE 77.A O no hydrogen 2.844 N/A GLU 8.A N TYR 31.A OH no hydrogen 3.168 N/A ARG 10.A NE GLU 8.A OE1 no hydrogen 3.088 N/A ARG 10.A NH2 GLU 8.A OE1 no hydrogen 3.472 N/A PHE 11.A N GLU 8.A O no hydrogen 3.241 N/A LEU 12.A N LYS 9.A O no hydrogen 3.133 N/A LYS 13.A N ARG 30.A O no hydrogen 2.968 N/A LYS 13.A NZ ARG 10.A O no hydrogen 2.935 N/A ARG 14.A NH2 ASP 17.A OD1 no hydrogen 2.879 N/A ILE 15.A N LEU 28.A O no hydrogen 2.824 N/A ARG 16.A N LEU 28.A O no hydrogen 3.342 N/A LEU 18.A N VAL 26.A O no hydrogen 2.922 N/A GLY 19.A N VAL 26.A O no hydrogen 3.369 N/A LYS 25.A N SER 46.A O no hydrogen 3.077 N/A LYS 25.A NZ ASP 17.A OD1 no hydrogen 3.314 N/A VAL 26.A N GLY 19.A O no hydrogen 2.980 N/A GLU 27.A N VAL 44.A O no hydrogen 2.746 N/A LEU 28.A N ARG 16.A O no hydrogen 2.738 N/A CYS 29.A N VAL 42.A O no hydrogen 2.997 N/A ARG 30.A N LYS 13.A O no hydrogen 2.820 N/A ARG 30.A NH1 GLY 39.A O no hydrogen 2.694 N/A TYR 31.A N GLU 40.A O no hydrogen 2.954 N/A ASP 32.A N PHE 11.A O no hydrogen 2.745 N/A GLY 35.A N ASP 32.A O no hydrogen 2.886 N/A ASN 37.A N ASP 32.A OD2 no hydrogen 2.825 N/A THR 38.A N ASP 36.A OD1 no hydrogen 3.271 N/A THR 38.A OG1 ASP 36.A OD1 no hydrogen 2.724 N/A THR 38.A OG1 ASP 36.A OD2 no hydrogen 3.503 N/A GLY 39.A N ASP 32.A OD1 no hydrogen 2.975 N/A VAL 42.A N CYS 29.A O no hydrogen 2.852 N/A ALA 43.A N MET 86.A O no hydrogen 2.828 N/A VAL 44.A N GLU 27.A O no hydrogen 2.755 N/A LYS 45.A N LEU 84.A O no hydrogen 2.712 N/A LYS 45.A NZ GLU 59.A OE1 no hydrogen 3.002 N/A LYS 45.A NZ GLU 59.A OE2 no hydrogen 2.620 N/A LYS 45.A NZ ASP 151.A OD1 no hydrogen 2.791 N/A SER 46.A N LYS 25.A O no hydrogen 3.068 N/A LYS 48.A N PHE 23.A O no hydrogen 3.157 N/A LYS 48.A NZ GLY 21.A O no hydrogen 2.843 N/A LYS 48.A NZ HIS 22.A O no hydrogen 2.927 N/A LEU 56.A N HIS 52.A O no hydrogen 3.363 N/A LYS 57.A N ILE 53.A O no hydrogen 3.085 N/A LYS 58.A N ALA 54.A O no hydrogen 2.935 N/A GLU 59.A N ASP 55.A O no hydrogen 2.923 N/A ILE 60.A N LEU 56.A O no hydrogen 2.837 N/A GLU 61.A N LYS 57.A O no hydrogen 2.990 N/A ILE 62.A N LYS 58.A O no hydrogen 2.925 N/A LEU 63.A N GLU 59.A O no hydrogen 3.025 N/A ARG 64.A N ILE 60.A O no hydrogen 2.899 N/A ARG 64.A NE GLU 61.A OE1 no hydrogen 2.656 N/A ARG 64.A NH2 GLU 61.A OE1 no hydrogen 3.311 N/A ARG 64.A NH2 GLU 61.A OE2 no hydrogen 2.858 N/A ASN 65.A N ILE 62.A O no hydrogen 3.274 N/A ASN 65.A ND2 GLU 61.A O no hydrogen 2.967 N/A LEU 66.A N LEU 63.A O no hydrogen 3.183 N/A TYR 67.A N TYR 123.A OH no hydrogen 2.866 N/A ASN 70.A N HIS 68.A ND1 no hydrogen 2.866 N/A ILE 71.A N HIS 68.A O no hydrogen 2.978 N/A VAL 72.A N ILE 149.A O no hydrogen 2.903 N/A LYS 73.A N GLU 87.A OE2 no hydrogen 2.935 N/A LYS 73.A NZ GLU 87.A OE1 no hydrogen 3.312 N/A LYS 75.A N ILE 85.A O no hydrogen 2.877 N/A LYS 75.A NZ GLU 40.A OE2 no hydrogen 3.280 N/A GLY 76.A N ILE 85.A O no hydrogen 3.143 N/A ILE 77.A N THR 5.A O no hydrogen 2.880 N/A CYS 78.A N LYS 83.A O no hydrogen 3.013 N/A CYS 78.A SG PHE 7.A O no hydrogen 3.473 N/A GLU 80.A N GLY 81.A O no hydrogen 3.273 N/A LYS 83.A N CYS 78.A O no hydrogen 2.781 N/A LEU 84.A N LYS 45.A O no hydrogen 2.817 N/A ILE 85.A N GLY 76.A O no hydrogen 2.903 N/A MET 86.A N ALA 43.A O no hydrogen 2.683 N/A GLU 87.A N LYS 73.A O no hydrogen 3.096 N/A GLY 92.A N LEU 89.A O no hydrogen 2.913 N/A SER 93.A N GLU 96.A OE1 no hydrogen 3.299 N/A SER 93.A OG GLU 96.A OE1 no hydrogen 2.823 N/A LEU 94.A N VAL 139.A O no hydrogen 2.928 N/A GLU 96.A N SER 93.A O no hydrogen 3.158 N/A TYR 97.A N SER 93.A O no hydrogen 2.901 N/A LEU 98.A N LEU 94.A O no hydrogen 2.953 N/A LYS 100.A N TYR 97.A O no hydrogen 3.370 N/A ASN 101.A N LEU 98.A O no hydrogen 3.097 N/A LYS 104.A N ASN 101.A O no hydrogen 2.910 N/A ILE 105.A N ASN 101.A O no hydrogen 3.091 N/A LYS 108.A NZ LEU 281.A O no hydrogen 3.338 N/A GLN 109.A N ASN 106.A OD1 no hydrogen 3.132 N/A GLN 110.A N ASN 106.A O no hydrogen 3.010 N/A GLN 110.A NE2 LEU 202.A O no hydrogen 2.870 N/A LEU 111.A N LEU 107.A O no hydrogen 2.910 N/A LYS 112.A N LYS 108.A O no hydrogen 3.091 N/A TYR 113.A N GLN 109.A O no hydrogen 2.898 N/A TYR 113.A OH GLU 144.A O no hydrogen 2.698 N/A ALA 114.A N GLN 110.A O no hydrogen 2.857 N/A VAL 115.A N LEU 111.A O no hydrogen 2.957 N/A GLN 116.A N LYS 112.A O no hydrogen 3.133 N/A GLN 116.A NE2 HIS 145.A O no hydrogen 2.763 N/A ILE 117.A N TYR 113.A O no hydrogen 2.950 N/A CYS 118.A N ALA 114.A O no hydrogen 3.040 N/A CYS 118.A SG ALA 114.A O no hydrogen 3.372 N/A LYS 119.A N VAL 115.A O no hydrogen 2.842 N/A GLY 120.A N GLN 116.A O no hydrogen 2.909 N/A MET 121.A N ILE 117.A O no hydrogen 2.880 N/A ASP 122.A N CYS 118.A O no hydrogen 2.794 N/A TYR 123.A N LYS 119.A O no hydrogen 3.078 N/A LEU 124.A N GLY 120.A O no hydrogen 2.945 N/A GLY 125.A N MET 121.A O no hydrogen 2.864 N/A SER 126.A N ASP 122.A O no hydrogen 3.049 N/A SER 126.A OG TYR 123.A O no hydrogen 2.546 N/A ARG 127.A N TYR 123.A O no hydrogen 3.143 N/A ARG 127.A N LEU 124.A O no hydrogen 3.040 N/A ARG 127.A NE TYR 123.A OH no hydrogen 3.223 N/A ARG 127.A NH2 TYR 123.A OH no hydrogen 3.315 N/A GLN 128.A N GLY 125.A O no hydrogen 3.123 N/A TYR 129.A N LEU 124.A O no hydrogen 3.191 N/A VAL 130.A N LYS 156.A O no hydrogen 2.806 N/A HIS 131.A N ASP 191.A OD2 no hydrogen 2.885 N/A ARG 132.A N ASP 191.A OD1 no hydrogen 3.052 N/A ARG 132.A NH1 LEU 154.A O no hydrogen 2.780 N/A ALA 136.A N GLU 201.A OE1 no hydrogen 2.984 N/A ASN 138.A N ALA 135.A O no hydrogen 2.836 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.768 N/A VAL 139.A N ALA 136.A O no hydrogen 3.050 N/A LEU 140.A N LYS 148.A O no hydrogen 2.733 N/A VAL 141.A N GLY 92.A O no hydrogen 2.815 N/A GLU 142.A N GLN 146.A O no hydrogen 2.746 N/A SER 143.A N GLN 146.A O no hydrogen 3.140 N/A HIS 145.A N SER 143.A OG no hydrogen 3.135 N/A GLN 146.A N SER 143.A O no hydrogen 3.290 N/A GLN 146.A NE2 GLU 69.A O no hydrogen 2.983 N/A VAL 147.A N GLN 116.A OE1 no hydrogen 2.784 N/A LYS 148.A N LEU 140.A O no hydrogen 2.849 N/A LYS 148.A NZ GLU 87.A OE2 no hydrogen 2.895 N/A ILE 149.A N ASN 70.A O no hydrogen 2.909 N/A GLY 150.A N ASN 138.A O no hydrogen 2.841 N/A GLY 153.A N ASP 151.A OD2 no hydrogen 3.209 N/A THR 155.A N PHE 152.A O no hydrogen 3.228 N/A THR 155.A OG1 PHE 152.A O no hydrogen 3.393 N/A LYS 156.A N VAL 130.A O no hydrogen 2.867 N/A ILE 158.A N GLN 128.A O no hydrogen 2.869 N/A THR 160.A OG1 GLN 128.A OE1 no hydrogen 3.234 N/A LYS 162.A N GLU 159.A O no hydrogen 2.968 N/A VAL 165.A N SER 184.A O no hydrogen 2.960 N/A SER 171.A N ASP 168.A O no hydrogen 3.321 N/A SER 171.A OG ASP 168.A O no hydrogen 3.012 N/A VAL 173.A N SER 171.A O no hydrogen 2.916 N/A TRP 175.A N PRO 172.A O no hydrogen 2.851 N/A TRP 175.A NE1 GLU 201.A OE1 no hydrogen 2.861 N/A TYR 176.A N VAL 173.A O no hydrogen 3.044 N/A TYR 176.A OH ARG 132.A O no hydrogen 2.831 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.836 N/A CYS 180.A N ALA 177.A O no hydrogen 3.046 N/A CYS 180.A SG LYS 185.A O no hydrogen 3.373 N/A LEU 181.A N ALA 177.A O no hydrogen 3.112 N/A MET 182.A N PRO 178.A O no hydrogen 2.620 N/A GLN 183.A N GLU 179.A O no hydrogen 3.071 N/A SER 184.A N CYS 180.A O no hydrogen 3.211 N/A LYS 185.A N GLU 179.A O no hydrogen 3.338 N/A TYR 187.A N SER 190.A OG no hydrogen 2.720 N/A SER 190.A N TYR 187.A O no hydrogen 2.838 N/A SER 190.A OG GLU 179.A OE2 no hydrogen 2.678 N/A SER 190.A OG TYR 187.A O no hydrogen 3.066 N/A VAL 192.A N ILE 188.A O no hydrogen 3.181 N/A TRP 193.A N ALA 189.A O no hydrogen 3.286 N/A SER 194.A N SER 190.A O no hydrogen 3.141 N/A SER 194.A OG TRP 175.A O no hydrogen 2.718 N/A SER 194.A OG SER 190.A O no hydrogen 3.378 N/A PHE 195.A N ASP 191.A O no hydrogen 2.803 N/A GLY 196.A N VAL 192.A O no hydrogen 3.144 N/A VAL 197.A N TRP 193.A O no hydrogen 3.340 N/A THR 198.A N SER 194.A O no hydrogen 2.955 N/A THR 198.A OG1 SER 194.A O no hydrogen 3.233 N/A LEU 199.A N PHE 195.A O no hydrogen 2.659 N/A HIS 200.A N GLY 196.A O no hydrogen 3.097 N/A HIS 200.A NE2 PRO 243.A O no hydrogen 2.935 N/A GLU 201.A N VAL 197.A O no hydrogen 3.156 N/A LEU 202.A N THR 198.A O no hydrogen 3.046 N/A LEU 203.A N LEU 199.A O no hydrogen 3.015 N/A THR 204.A N HIS 200.A O no hydrogen 3.188 N/A THR 204.A N GLU 201.A O no hydrogen 3.245 N/A THR 204.A OG1 HIS 200.A O no hydrogen 3.300 N/A THR 204.A OG1 GLU 201.A O no hydrogen 3.304 N/A TYR 205.A N LEU 202.A O no hydrogen 3.055 N/A TYR 205.A OH ILE 105.A O no hydrogen 2.799 N/A CYS 206.A N GLU 201.A O no hydrogen 2.795 N/A CYS 206.A SG GLU 201.A O no hydrogen 3.935 N/A ASP 207.A N THR 204.A O no hydrogen 3.119 N/A SER 210.A N ASP 207.A O no hydrogen 3.077 N/A SER 210.A OG ASP 207.A OD2 no hydrogen 3.553 N/A SER 211.A N SER 208.A O no hydrogen 3.218 N/A SER 211.A OG SER 208.A O no hydrogen 3.232 N/A ALA 214.A N SER 211.A OG no hydrogen 3.187 N/A LEU 215.A N SER 211.A O no hydrogen 2.842 N/A PHE 216.A N PRO 212.A O no hydrogen 2.887 N/A LEU 217.A N MET 213.A O no hydrogen 2.877 N/A LYS 218.A N ALA 214.A O no hydrogen 3.263 N/A MET 219.A N LEU 215.A O no hydrogen 3.069 N/A ILE 220.A N PHE 216.A O no hydrogen 2.932 N/A GLY 221.A N LEU 217.A O no hydrogen 2.862 N/A HIS 224.A NE2 ILE 220.A O no hydrogen 2.877 N/A MET 227.A N HIS 224.A O no hydrogen 2.890 N/A THR 228.A N GLY 225.A O no hydrogen 2.910 N/A THR 228.A OG1 GLY 225.A O no hydrogen 2.803 N/A ARG 231.A N MET 227.A O no hydrogen 2.906 N/A LEU 232.A N THR 228.A O no hydrogen 2.837 N/A VAL 233.A N VAL 229.A O no hydrogen 2.911 N/A ASN 234.A N THR 230.A O no hydrogen 3.019 N/A THR 235.A N ARG 231.A O no hydrogen 2.950 N/A THR 235.A OG1 ARG 231.A O no hydrogen 2.601 N/A LEU 236.A N LEU 232.A O no hydrogen 3.063 N/A LYS 237.A N VAL 233.A O no hydrogen 2.862 N/A GLU 238.A N ASN 234.A O no hydrogen 3.039 N/A GLY 239.A N LEU 236.A O no hydrogen 2.971 N/A LYS 240.A N THR 235.A O no hydrogen 3.291 N/A ARG 241.A NE TRP 260.A O no hydrogen 2.843 N/A ARG 241.A NH1 LEU 236.A O no hydrogen 2.961 N/A ARG 241.A NH1 LYS 240.A O no hydrogen 2.593 N/A ARG 241.A NH2 TRP 260.A O no hydrogen 3.060 N/A CYS 244.A SG PRO 245.A O no hydrogen 3.479 N/A CYS 244.A SG CYS 248.A O no hydrogen 3.334 N/A CYS 248.A N PRO 245.A O no hydrogen 3.088 N/A CYS 248.A SG PRO 249.A O no hydrogen 3.527 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.784 N/A VAL 252.A N PRO 249.A O no hydrogen 2.894 N/A TYR 253.A N PRO 249.A O no hydrogen 3.049 N/A TYR 253.A OH LEU 242.A O no hydrogen 2.651 N/A GLN 254.A N ASP 250.A O no hydrogen 2.739 N/A GLN 254.A NE2 ASP 250.A OD1 no hydrogen 2.890 N/A MET 256.A N VAL 252.A O no hydrogen 3.285 N/A ARG 257.A N TYR 253.A O no hydrogen 2.986 N/A ARG 257.A NH1 TYR 253.A OH no hydrogen 3.033 N/A LYS 258.A N GLN 254.A O no hydrogen 3.106 N/A CYS 259.A N MET 256.A O no hydrogen 2.989 N/A CYS 259.A SG LEU 255.A O no hydrogen 3.454 N/A TRP 260.A N ARG 257.A O no hydrogen 2.875 N/A ASN 266.A N GLN 263.A O no hydrogen 3.076 N/A ARG 267.A N PRO 264.A O no hydrogen 3.175 N/A ARG 267.A NE GLU 261.A O no hydrogen 2.758 N/A ARG 267.A NH1 GLU 179.A OE1 no hydrogen 3.437 N/A ARG 267.A NH1 GLU 179.A OE2 no hydrogen 2.760 N/A ARG 267.A NH1 ALA 189.A O no hydrogen 2.800 N/A ARG 267.A NH2 GLU 179.A OE1 no hydrogen 2.789 N/A ARG 267.A NH2 GLU 261.A O no hydrogen 3.331 N/A ARG 267.A NH2 PHE 262.A O no hydrogen 3.245 N/A THR 268.A N LYS 258.A O no hydrogen 3.077 N/A THR 268.A OG1 SER 269.A O no hydrogen 3.336 N/A THR 268.A OG1 ASN 272.A OD1 no hydrogen 2.766 N/A ASN 272.A N SER 269.A OG no hydrogen 3.087 N/A LEU 273.A N SER 269.A O no hydrogen 3.141 N/A ILE 274.A N PHE 270.A O no hydrogen 2.937 N/A GLU 275.A N GLN 271.A O no hydrogen 3.016 N/A GLY 276.A N ASN 272.A O no hydrogen 2.904 N/A PHE 277.A N LEU 273.A O no hydrogen 2.878 N/A GLU 278.A N ILE 274.A O no hydrogen 2.979 N/A ALA 279.A N GLU 275.A O no hydrogen 3.058 N/A LEU 280.A N GLY 276.A O no hydrogen 3.204 N/A LEU 281.A N PHE 277.A O no hydrogen 2.926 N/A LEU 281.A N GLU 278.A O no hydrogen 3.129 N/A LYS 282.A N GLU 278.A O no hydrogen 3.142 N/A