Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kc3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N GLN 3.A O no hydrogen 2.619 N/A SER 8.A OG GLY 9.A O no hydrogen 2.893 N/A LYS 13.A NZ ASP 80.A OD1 no hydrogen 3.024 N/A ASN 15.A ND2 ASP 19.A OD1 no hydrogen 3.517 N/A ASN 15.A ND2 ASP 20.A OD2 no hydrogen 3.205 N/A ILE 17.A N ASN 84.A OD1 no hydrogen 2.823 N/A ASP 19.A N ALA 16.A O no hydrogen 3.020 N/A ASP 20.A N ILE 17.A O no hydrogen 2.601 N/A TYR 21.A N ILE 17.A O no hydrogen 2.928 N/A TYR 21.A OH ASP 80.A OD2 no hydrogen 3.360 N/A LYS 22.A N PHE 40.A O no hydrogen 2.987 N/A THR 24.A N LYS 22.A O no hydrogen 3.146 N/A THR 24.A OG1 GLN 38.A O no hydrogen 2.928 N/A LEU 28.A N VAL 36.A O no hydrogen 2.824 N/A GLY 29.A N VAL 36.A O no hydrogen 3.481 N/A LEU 37.A N LEU 50.A O no hydrogen 2.875 N/A GLN 38.A N GLN 26.A O no hydrogen 3.065 N/A GLN 38.A NE2 ILE 39.A O no hydrogen 3.566 N/A GLN 38.A NE2 PHE 48.A O no hydrogen 2.743 N/A ILE 39.A N PHE 48.A O no hydrogen 3.103 N/A PHE 40.A N LYS 22.A O no hydrogen 2.999 N/A ASN 41.A N GLU 46.A O no hydrogen 2.877 N/A LYS 42.A N ASP 20.A O no hydrogen 2.937 N/A LYS 42.A NZ ILE 18.A O no hydrogen 2.837 N/A GLU 46.A N THR 44.A OG1 no hydrogen 3.338 N/A PHE 48.A N ILE 39.A O no hydrogen 2.976 N/A ALA 49.A N MET 96.A O no hydrogen 2.965 N/A LEU 50.A N LEU 37.A O no hydrogen 2.770 N/A LYS 51.A N ILE 94.A O no hydrogen 3.053 N/A LYS 51.A NZ ASN 33.A OD1 no hydrogen 2.800 N/A LYS 51.A NZ GLU 62.A OE2 no hydrogen 2.597 N/A LYS 51.A NZ ASP 162.A OD1 no hydrogen 3.477 N/A LEU 53.A N LEU 92.A O no hydrogen 2.893 N/A ASP 55.A N LYS 90.A O no hydrogen 3.080 N/A CYS 56.A SG GLN 54.A O no hydrogen 3.645 N/A ARG 60.A N CYS 56.A O no hydrogen 2.744 N/A ARG 60.A NE ASP 55.A OD1 no hydrogen 3.459 N/A ARG 60.A NE ASP 55.A OD2 no hydrogen 2.824 N/A ARG 60.A NH1 ASP 55.A OD2 no hydrogen 2.522 N/A ARG 60.A NH1 GLU 83.A OE2 no hydrogen 2.592 N/A ARG 61.A N PRO 57.A O no hydrogen 3.095 N/A GLU 62.A N LYS 58.A O no hydrogen 2.752 N/A VAL 63.A N ALA 59.A O no hydrogen 3.099 N/A GLU 64.A N ARG 60.A O no hydrogen 2.879 N/A LEU 65.A N ARG 61.A O no hydrogen 2.861 N/A HIS 66.A N GLU 62.A O no hydrogen 2.907 N/A HIS 66.A NE2 VAL 76.A O no hydrogen 2.830 N/A TRP 67.A N VAL 63.A O no hydrogen 2.960 N/A ARG 68.A N GLU 64.A O no hydrogen 3.134 N/A ARG 68.A NH1 ILE 135.A O no hydrogen 3.459 N/A ARG 68.A NH2 ILE 135.A O no hydrogen 3.532 N/A ALA 69.A N LEU 65.A O no hydrogen 2.725 N/A SER 70.A N HIS 66.A O no hydrogen 2.806 N/A SER 70.A N TRP 67.A O no hydrogen 2.967 N/A SER 70.A OG HIS 66.A O no hydrogen 2.766 N/A SER 70.A OG TRP 67.A O no hydrogen 3.171 N/A CYS 72.A N ALA 69.A O no hydrogen 3.079 N/A HIS 74.A ND1 LEU 158.A O no hydrogen 3.115 N/A ILE 75.A N CYS 72.A O no hydrogen 3.037 N/A VAL 76.A N LEU 160.A O no hydrogen 3.000 N/A ARG 77.A N GLU 97.A OE2 no hydrogen 2.503 N/A VAL 79.A N VAL 95.A O no hydrogen 2.871 N/A ASP 80.A N VAL 95.A O no hydrogen 3.279 N/A TYR 82.A N LEU 93.A O no hydrogen 2.875 N/A TYR 82.A OH ASP 20.A OD2 no hydrogen 2.835 N/A GLU 83.A N LYS 13.A O no hydrogen 2.965 N/A ASN 84.A N CYS 91.A O no hydrogen 3.170 N/A ASN 84.A ND2 ASN 15.A O no hydrogen 2.735 N/A ASN 84.A ND2 GLU 83.A O no hydrogen 2.698 N/A TYR 86.A N ARG 89.A O no hydrogen 2.963 N/A ARG 89.A N TYR 86.A O no hydrogen 3.122 N/A CYS 91.A N ASN 84.A O no hydrogen 2.932 N/A CYS 91.A SG LEU 53.A O no hydrogen 3.556 N/A CYS 91.A SG LYS 90.A O no hydrogen 3.134 N/A LEU 92.A N LEU 53.A O no hydrogen 2.759 N/A LEU 93.A N TYR 82.A O no hydrogen 2.855 N/A ILE 94.A N LYS 51.A O no hydrogen 2.796 N/A VAL 95.A N ASP 80.A O no hydrogen 2.739 N/A MET 96.A N ALA 49.A O no hydrogen 2.687 N/A GLU 97.A N ARG 77.A O no hydrogen 2.931 N/A ASP 100.A N THR 150.A O no hydrogen 2.749 N/A GLY 101.A N TYR 149.A O no hydrogen 3.027 N/A GLY 101.A N THR 150.A O no hydrogen 3.052 N/A LEU 104.A N LEU 147.A O no hydrogen 2.949 N/A ARG 107.A N GLU 103.A O no hydrogen 2.880 N/A ARG 107.A NE GLY 101.A O no hydrogen 3.124 N/A ARG 107.A NH2 SER 151.A O no hydrogen 2.658 N/A ARG 107.A NH2 ARG 153.A O no hydrogen 3.447 N/A ILE 108.A N LEU 104.A O no hydrogen 3.071 N/A GLN 109.A N PHE 105.A O no hydrogen 2.786 N/A ASP 110.A N ARG 107.A O no hydrogen 3.293 N/A ARG 111.A NH1 GLU 117.A OE1 no hydrogen 2.831 N/A ARG 111.A NH2 ALA 112.A O no hydrogen 3.118 N/A ARG 111.A NH2 GLU 117.A OE1 no hydrogen 2.679 N/A THR 114.A N GLU 117.A OE2 no hydrogen 3.004 N/A THR 114.A OG1 GLU 117.A OE2 no hydrogen 3.078 N/A GLU 115.A N THR 275.A O no hydrogen 3.047 N/A ARG 116.A N THR 114.A OG1 no hydrogen 2.971 N/A ARG 116.A NH1 VAL 272.A O no hydrogen 2.941 N/A GLU 117.A N THR 114.A OG1 no hydrogen 3.310 N/A ALA 118.A N THR 114.A O no hydrogen 2.992 N/A SER 119.A N GLU 115.A O no hydrogen 3.007 N/A SER 119.A OG TRP 265.A O no hydrogen 2.436 N/A GLU 120.A N ARG 116.A O no hydrogen 2.896 N/A ILE 121.A N GLU 117.A O no hydrogen 2.778 N/A MET 122.A N ALA 118.A O no hydrogen 2.841 N/A LYS 123.A N SER 119.A O no hydrogen 2.654 N/A LYS 123.A NZ MET 267.A O no hydrogen 3.365 N/A SER 124.A N GLU 120.A O no hydrogen 3.141 N/A ILE 125.A N ILE 121.A O no hydrogen 3.152 N/A GLY 126.A N MET 122.A O no hydrogen 2.805 N/A GLU 127.A N LYS 123.A O no hydrogen 2.846 N/A ALA 128.A N SER 124.A O no hydrogen 3.277 N/A ILE 129.A N ILE 125.A O no hydrogen 3.088 N/A GLN 130.A N GLY 126.A O no hydrogen 2.882 N/A TYR 131.A N GLU 127.A O no hydrogen 2.927 N/A LEU 132.A N ALA 128.A O no hydrogen 3.032 N/A HIS 133.A N ILE 129.A O no hydrogen 2.822 N/A HIS 133.A NE2 ASP 189.A OD2 no hydrogen 2.741 N/A SER 134.A N GLN 130.A O no hydrogen 2.859 N/A SER 134.A OG GLN 130.A O no hydrogen 3.472 N/A SER 134.A OG TYR 131.A O no hydrogen 2.770 N/A ILE 135.A N TYR 131.A O no hydrogen 3.172 N/A ILE 135.A N LEU 132.A O no hydrogen 3.053 N/A ASN 136.A N HIS 133.A O no hydrogen 2.825 N/A ILE 137.A N LEU 132.A O no hydrogen 2.844 N/A ALA 138.A N LYS 167.A O no hydrogen 3.090 N/A HIS 139.A N ASP 189.A OD2 no hydrogen 2.813 N/A HIS 139.A NE2 THR 161.A O no hydrogen 2.846 N/A ARG 140.A N ASP 189.A OD1 no hydrogen 2.796 N/A ARG 140.A NH1 PHE 165.A O no hydrogen 2.445 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 2.912 N/A ASN 146.A N LYS 143.A O no hydrogen 2.911 N/A LEU 147.A N PRO 144.A O no hydrogen 3.291 N/A LEU 148.A N LYS 159.A O no hydrogen 2.697 N/A TYR 149.A N GLY 102.A O no hydrogen 2.891 N/A THR 150.A N ILE 157.A O no hydrogen 2.978 N/A THR 150.A OG1 ILE 157.A O no hydrogen 3.012 N/A ALA 156.A N ARG 153.A O no hydrogen 2.926 N/A LYS 159.A N LEU 148.A O no hydrogen 2.700 N/A LYS 159.A NZ GLU 97.A OE1 no hydrogen 2.862 N/A LYS 159.A NZ GLU 97.A OE2 no hydrogen 2.923 N/A LEU 160.A N HIS 74.A O no hydrogen 2.739 N/A THR 161.A N ASN 146.A O no hydrogen 2.815 N/A GLY 164.A N ASP 162.A OD1 no hydrogen 2.854 N/A ALA 166.A N PHE 163.A O no hydrogen 3.227 N/A LYS 167.A N ALA 138.A O no hydrogen 3.208 N/A LYS 167.A NZ ASP 185.A OD1 no hydrogen 3.509 N/A THR 169.A N ASN 136.A O no hydrogen 2.855 N/A THR 169.A OG1 ASN 136.A O no hydrogen 3.121 N/A THR 169.A OG1 GLU 182.A OE2 no hydrogen 2.896 N/A VAL 174.A N PRO 171.A O no hydrogen 2.935 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.905 N/A VAL 178.A N ALA 175.A O no hydrogen 2.946 N/A LEU 179.A N PRO 176.A O no hydrogen 2.936 N/A GLY 180.A N GLU 177.A O no hydrogen 3.033 N/A LYS 186.A NZ HIS 133.A O no hydrogen 3.228 N/A LYS 186.A NZ GLU 182.A OE1 no hydrogen 3.510 N/A SER 187.A N TYR 184.A O no hydrogen 3.322 N/A SER 187.A OG TYR 184.A O no hydrogen 2.901 N/A CYS 188.A N ASP 185.A O no hydrogen 3.446 N/A CYS 188.A SG ASP 185.A O no hydrogen 3.307 N/A SER 192.A N CYS 188.A O no hydrogen 2.889 N/A SER 192.A OG VAL 142.A O no hydrogen 3.197 N/A LEU 193.A N ASP 189.A O no hydrogen 2.963 N/A GLY 194.A N MET 190.A O no hydrogen 2.901 N/A VAL 195.A N TRP 191.A O no hydrogen 2.922 N/A ILE 196.A N SER 192.A O no hydrogen 3.000 N/A MET 197.A N LEU 193.A O no hydrogen 2.844 N/A TYR 198.A N GLY 194.A O no hydrogen 2.953 N/A TYR 198.A OH GLU 226.A O no hydrogen 2.406 N/A ILE 199.A N VAL 195.A O no hydrogen 2.952 N/A LEU 200.A N ILE 196.A O no hydrogen 2.781 N/A LEU 201.A N MET 197.A O no hydrogen 2.958 N/A LEU 201.A N TYR 198.A O no hydrogen 2.932 N/A CYS 202.A N ILE 199.A O no hydrogen 3.054 N/A CYS 202.A SG TYR 198.A O no hydrogen 3.574 N/A CYS 202.A SG TYR 204.A O no hydrogen 3.274 N/A GLY 203.A N ILE 199.A O no hydrogen 2.916 N/A TYR 204.A OH GLU 231.A OE1 no hydrogen 2.697 N/A SER 209.A OG ILE 212.A O no hydrogen 2.775 N/A HIS 211.A N SER 209.A OG no hydrogen 2.855 N/A LYS 217.A N SER 213.A O no hydrogen 3.304 N/A THR 218.A N PRO 214.A O no hydrogen 3.281 N/A THR 218.A OG1 PRO 214.A O no hydrogen 2.757 N/A ARG 219.A N GLY 215.A O no hydrogen 2.952 N/A ARG 219.A NH2 TYR 208.A O no hydrogen 3.070 N/A ILE 220.A N MET 216.A O no hydrogen 2.801 N/A ARG 221.A N LYS 217.A O no hydrogen 3.001 N/A MET 222.A N THR 218.A O no hydrogen 2.553 N/A GLY 223.A N ILE 220.A O no hydrogen 2.765 N/A GLN 224.A N ARG 219.A O no hydrogen 3.000 N/A TRP 232.A N PRO 228.A O no hydrogen 3.074 N/A SER 233.A N PRO 230.A O no hydrogen 2.855 N/A SER 233.A OG ASN 229.A OD1 no hydrogen 3.147 N/A SER 233.A OG PRO 230.A O no hydrogen 2.522 N/A VAL 235.A N TRP 232.A O no hydrogen 2.904 N/A VAL 239.A N SER 236.A OG no hydrogen 2.952 N/A LYS 240.A N SER 236.A O no hydrogen 3.050 N/A LYS 240.A NZ VAL 235.A O no hydrogen 3.379 N/A MET 241.A N GLU 237.A O no hydrogen 2.584 N/A LEU 242.A N GLU 238.A O no hydrogen 3.066 N/A ILE 243.A N VAL 239.A O no hydrogen 3.256 N/A ARG 244.A N LYS 240.A O no hydrogen 3.105 N/A ASN 245.A N MET 241.A O no hydrogen 3.244 N/A ASN 245.A N LEU 242.A O no hydrogen 2.668 N/A LEU 246.A N ILE 243.A O no hydrogen 2.918 N/A LEU 247.A N ILE 243.A O no hydrogen 2.781 N/A LYS 248.A NZ GLN 253.A OE1 no hydrogen 3.085 N/A GLN 253.A N GLU 250.A O no hydrogen 2.697 N/A ARG 254.A N PRO 251.A O no hydrogen 3.180 N/A ARG 254.A NE LYS 248.A O no hydrogen 2.692 N/A ARG 254.A NH1 SER 187.A O no hydrogen 2.636 N/A ARG 254.A NH2 LYS 248.A O no hydrogen 3.310 N/A ARG 254.A NH2 THR 249.A O no hydrogen 3.262 N/A MET 255.A N ASN 245.A O no hydrogen 3.272 N/A THR 256.A N GLU 259.A OE1 no hydrogen 3.120 N/A GLU 259.A N THR 256.A OG1 no hydrogen 3.170 N/A PHE 260.A N THR 256.A O no hydrogen 2.775 N/A MET 261.A N ILE 257.A O no hydrogen 2.654 N/A ASN 262.A N THR 258.A O no hydrogen 3.166 N/A ASN 262.A N GLU 259.A O no hydrogen 3.224 N/A HIS 263.A N PHE 260.A O no hydrogen 2.998 N/A TRP 265.A N HIS 263.A ND1 no hydrogen 3.150 N/A TRP 265.A NE1 GLU 115.A OE2 no hydrogen 3.108 N/A ILE 266.A N HIS 263.A O no hydrogen 2.805 N/A MET 267.A N HIS 263.A O no hydrogen 2.931 N/A GLN 268.A N PRO 264.A O no hydrogen 3.198 N/A LYS 271.A N GLN 268.A O no hydrogen 2.835 N/A VAL 272.A N SER 269.A O no hydrogen 3.038 N/A THR 275.A OG1 PRO 276.A O no hydrogen 3.541 N/A LEU 277.A N PHE 113.A O no hydrogen 2.807 N/A THR 279.A OG1 LEU 200.A O no hydrogen 2.620 N/A SER 280.A OG ILE 108.A O no hydrogen 3.247 N/A ARG 281.A NH1 HIS 278.A ND1 no hydrogen 3.097 N/A ARG 281.A NH2 HIS 278.A ND1 no hydrogen 3.386 N/A VAL 282.A N HIS 278.A O no hydrogen 2.985 N/A LEU 283.A N THR 279.A O no hydrogen 2.844 N/A LYS 284.A N SER 280.A O no hydrogen 2.838 N/A LYS 284.A NZ GLN 109.A O no hydrogen 3.325 N/A GLU 285.A N ARG 281.A O no hydrogen 3.123 N/A