Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f4k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A N ASP 7.A OD1 no hydrogen 2.971 N/A ASP 7.A N SER 4.A O no hydrogen 3.130 N/A PHE 12.A N ASP 9.A O no hydrogen 3.275 N/A ILE 13.A N ASP 9.A O no hydrogen 3.132 N/A CYS 14.A N PHE 10.A O no hydrogen 3.196 N/A CYS 14.A SG PHE 10.A O no hydrogen 3.134 N/A ASN 15.A N PHE 12.A O no hydrogen 3.057 N/A TYR 16.A OH GLN 206.A OE1 no hydrogen 2.824 N/A PHE 17.A N ILE 13.A O no hydrogen 3.411 N/A LYS 18.A N CYS 14.A O no hydrogen 3.094 N/A LYS 18.A NZ ASP 77.A OD1 no hydrogen 3.002 N/A LEU 19.A N TYR 16.A O no hydrogen 3.085 N/A LEU 20.A N PHE 17.A O no hydrogen 2.918 N/A GLN 23.A NE2 PHE 17.A O no hydrogen 2.968 N/A GLN 23.A NE2 LEU 20.A O no hydrogen 3.111 N/A GLN 23.A NE2 THR 54.A OG1 no hydrogen 3.274 N/A GLY 26.A N CYS 197.A O no hydrogen 3.161 N/A SER 27.A OG GLU 29.A OE1 no hydrogen 3.477 N/A ALA 30.A N SER 27.A OG no hydrogen 2.945 N/A THR 31.A N SER 27.A O no hydrogen 3.010 N/A THR 31.A OG1 SER 27.A O no hydrogen 3.251 N/A THR 31.A OG1 GLU 118.A OE1 no hydrogen 3.118 N/A ARG 32.A N PRO 28.A O no hydrogen 2.841 N/A LYS 33.A N GLU 29.A O no hydrogen 2.777 N/A ALA 34.A N ALA 30.A O no hydrogen 3.025 N/A VAL 35.A N THR 31.A O no hydrogen 3.043 N/A SER 36.A N ARG 32.A O no hydrogen 3.182 N/A SER 36.A N LYS 33.A O no hydrogen 3.262 N/A SER 36.A OG LYS 33.A O no hydrogen 2.611 N/A PHE 37.A N ALA 34.A O no hydrogen 3.161 N/A ILE 38.A N VAL 35.A O no hydrogen 3.159 N/A ASN 39.A ND2 GLN 252.A OE1 no hydrogen 3.633 N/A ASP 44.A N THR 42.A OG1 no hydrogen 3.104 N/A ALA 45.A N THR 42.A O no hydrogen 3.233 N/A LYS 46.A N ASP 113.A OD2 no hydrogen 2.944 N/A ILE 47.A N GLN 68.A O no hydrogen 2.804 N/A ALA 48.A N LEU 114.A O no hydrogen 3.045 N/A ASP 49.A N THR 70.A O no hydrogen 3.034 N/A ILE 50.A N TRP 116.A O no hydrogen 2.896 N/A GLY 51.A N ILE 72.A O no hydrogen 2.605 N/A CYS 52.A N ILE 72.A O no hydrogen 3.053 N/A CYS 52.A SG GLY 53.A O no hydrogen 3.700 N/A GLY 53.A N ASP 73.A OD1 no hydrogen 2.922 N/A THR 54.A N GLN 23.A OE1 no hydrogen 3.251 N/A THR 54.A OG1 LEU 20.A O no hydrogen 2.941 N/A GLY 55.A N CYS 52.A O no hydrogen 3.052 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 2.705 N/A GLN 57.A NE2 ASP 49.A OD2 no hydrogen 2.908 N/A GLN 57.A NE2 CYS 52.A O no hydrogen 2.872 N/A THR 58.A OG1 ASP 49.A OD2 no hydrogen 2.709 N/A THR 58.A OG1 GLY 55.A O no hydrogen 3.461 N/A LEU 59.A N GLY 55.A O no hydrogen 3.081 N/A LEU 61.A N GLN 57.A O no hydrogen 3.050 N/A ALA 62.A N THR 58.A O no hydrogen 3.055 N/A ASP 63.A N PHE 60.A O no hydrogen 3.095 N/A TYR 64.A N LEU 61.A O no hydrogen 3.215 N/A TYR 64.A OH PRO 28.A O no hydrogen 3.315 N/A VAL 65.A N LEU 61.A O no hydrogen 3.109 N/A GLN 68.A N ALA 45.A O no hydrogen 2.867 N/A ILE 69.A N ARG 94.A O no hydrogen 2.657 N/A THR 70.A N ILE 47.A O no hydrogen 2.850 N/A GLY 71.A N LYS 96.A O no hydrogen 2.653 N/A ILE 72.A N ASP 49.A O no hydrogen 2.906 N/A ASP 73.A N ILE 98.A O no hydrogen 3.241 N/A PHE 75.A N ASP 73.A OD2 no hydrogen 3.173 N/A PHE 78.A N PHE 75.A O no hydrogen 3.171 N/A ILE 79.A N PHE 75.A O no hydrogen 3.452 N/A GLU 80.A N PRO 76.A O no hydrogen 2.952 N/A ILE 81.A N ASP 77.A O no hydrogen 3.154 N/A PHE 82.A N PHE 78.A O no hydrogen 2.739 N/A ASN 83.A N ILE 79.A O no hydrogen 2.960 N/A ASN 83.A ND2 GLY 97.A O no hydrogen 3.230 N/A GLU 84.A N GLU 80.A O no hydrogen 3.220 N/A ASN 85.A N ILE 81.A O no hydrogen 2.930 N/A ASN 85.A ND2 THR 54.A O no hydrogen 3.315 N/A ALA 86.A N PHE 82.A O no hydrogen 3.007 N/A VAL 87.A N ASN 83.A O no hydrogen 3.129 N/A LYS 88.A N GLU 84.A O no hydrogen 2.823 N/A ALA 89.A N ASN 85.A O no hydrogen 2.744 N/A ASN 90.A N VAL 87.A O no hydrogen 3.015 N/A CYS 91.A N ALA 86.A O no hydrogen 2.941 N/A CYS 91.A SG ALA 86.A O no hydrogen 3.726 N/A ARG 94.A N CYS 91.A O no hydrogen 3.216 N/A ARG 94.A NE GLY 67.A O no hydrogen 3.190 N/A ARG 94.A NH1 ALA 62.A O no hydrogen 2.910 N/A ARG 94.A NH2 VAL 65.A O no hydrogen 2.808 N/A ARG 94.A NH2 GLY 67.A O no hydrogen 2.878 N/A VAL 95.A N CYS 91.A O no hydrogen 2.892 N/A LYS 96.A N ILE 69.A O no hydrogen 2.998 N/A LYS 96.A NZ ALA 92.A O no hydrogen 2.739 N/A LYS 96.A NZ ASP 93.A O no hydrogen 3.516 N/A GLY 97.A N ASN 83.A OD1 no hydrogen 2.917 N/A ILE 98.A N GLY 71.A O no hydrogen 2.900 N/A GLY 100.A N ASP 73.A O no hydrogen 2.820 N/A SER 101.A OG ASN 104.A O no hydrogen 3.198 N/A GLN 108.A N GLU 111.A OE1 no hydrogen 2.773 N/A GLU 110.A N LYS 135.A O no hydrogen 2.745 N/A GLU 111.A N TYR 136.A O no hydrogen 3.068 N/A LEU 112.A N TYR 136.A O no hydrogen 2.969 N/A ASP 113.A N LYS 46.A O no hydrogen 2.876 N/A ILE 115.A N PHE 142.A O no hydrogen 3.003 N/A TRP 116.A N ALA 48.A O no hydrogen 2.715 N/A TRP 116.A NE1 GLU 118.A OE1 no hydrogen 2.789 N/A SER 117.A N ALA 144.A O no hydrogen 3.133 N/A SER 117.A OG ILE 50.A O no hydrogen 3.034 N/A GLY 119.A N SER 146.A O no hydrogen 3.354 N/A GLY 125.A N ASN 123.A OD1 no hydrogen 2.828 N/A PHE 126.A N TYR 167.A OH no hydrogen 3.187 N/A GLU 127.A N GLU 169.A OE2 no hydrogen 2.967 N/A ARG 128.A NE GLU 132.A OE2 no hydrogen 2.708 N/A ARG 128.A NH2 ASP 103.A OD2 no hydrogen 2.944 N/A GLY 129.A N GLY 125.A O no hydrogen 3.004 N/A MET 130.A N PHE 126.A O no hydrogen 2.937 N/A ASN 131.A N GLU 127.A O no hydrogen 3.112 N/A GLU 132.A N ARG 128.A O no hydrogen 2.878 N/A TRP 133.A N GLY 129.A O no hydrogen 2.921 N/A TRP 133.A NE1 MET 102.A O no hydrogen 2.881 N/A LYS 135.A NZ GLU 132.A O no hydrogen 2.983 N/A TYR 136.A N TRP 133.A O no hydrogen 3.086 N/A LEU 137.A N SER 134.A O no hydrogen 2.776 N/A LYS 138.A N LEU 112.A O no hydrogen 2.846 N/A LYS 138.A NZ GLU 110.A O no hydrogen 3.420 N/A LYS 139.A NZ GLU 110.A OE2 no hydrogen 3.094 N/A GLY 140.A N LYS 253.A O no hydrogen 2.864 N/A GLY 141.A N LYS 138.A O no hydrogen 2.921 N/A PHE 142.A N ASP 113.A O no hydrogen 3.171 N/A ILE 143.A N GLY 251.A O no hydrogen 2.945 N/A ALA 144.A N ILE 115.A O no hydrogen 2.942 N/A VAL 145.A N TYR 249.A O no hydrogen 3.005 N/A SER 146.A N SER 117.A O no hydrogen 3.001 N/A GLU 147.A N VAL 247.A O no hydrogen 2.738 N/A SER 149.A N GLY 245.A O no hydrogen 2.830 N/A SER 149.A OG TYR 249.A OH no hydrogen 2.715 N/A TRP 150.A N SER 171.A O no hydrogen 2.945 N/A PHE 151.A N TYR 243.A O no hydrogen 2.831 N/A THR 152.A OG1 GLU 154.A O no hydrogen 2.899 N/A ARG 155.A NH1 GLU 160.A OE2 no hydrogen 2.931 N/A ARG 155.A NH2 THR 152.A O no hydrogen 3.261 N/A GLU 160.A N PRO 156.A O no hydrogen 3.270 N/A ASP 161.A N ALA 157.A O no hydrogen 2.837 N/A PHE 162.A N GLU 158.A O no hydrogen 3.170 N/A TRP 163.A N ILE 159.A O no hydrogen 3.167 N/A MET 164.A N GLU 160.A O no hydrogen 2.805 N/A ASP 165.A N PHE 162.A O no hydrogen 3.246 N/A ALA 166.A N PHE 162.A O no hydrogen 2.879 N/A TYR 167.A N TRP 163.A O no hydrogen 2.815 N/A TYR 167.A OH GLU 147.A OE1 no hydrogen 3.365 N/A TYR 167.A OH GLU 147.A OE2 no hydrogen 2.548 N/A ILE 170.A N TYR 167.A O no hydrogen 3.244 N/A SER 171.A OG VAL 172.A O no hydrogen 3.419 N/A THR 175.A N VAL 172.A O no hydrogen 3.221 N/A CYS 176.A N VAL 172.A O no hydrogen 3.443 N/A CYS 176.A SG SER 171.A OG no hydrogen 3.679 N/A CYS 176.A SG VAL 172.A O no hydrogen 3.995 N/A CYS 176.A SG TYR 249.A OH no hydrogen 3.353 N/A ILE 177.A N ILE 173.A O no hydrogen 3.051 N/A ASP 178.A N PRO 174.A O no hydrogen 2.951 N/A LYS 179.A N THR 175.A O no hydrogen 2.903 N/A MET 180.A N CYS 176.A O no hydrogen 2.868 N/A GLU 181.A N ILE 177.A O no hydrogen 3.006 N/A ARG 182.A N ASP 178.A O no hydrogen 3.041 N/A ARG 182.A NE ASP 178.A OD2 no hydrogen 3.444 N/A ALA 183.A N LYS 179.A O no hydrogen 3.184 N/A ALA 183.A N MET 180.A O no hydrogen 3.206 N/A GLY 184.A N GLU 181.A O no hydrogen 3.088 N/A TYR 185.A N MET 180.A O no hydrogen 3.414 N/A TYR 185.A OH MET 130.A O no hydrogen 2.923 N/A THR 186.A N GLN 252.A O no hydrogen 2.779 N/A THR 188.A N THR 186.A O no hydrogen 2.775 N/A THR 188.A OG1 THR 186.A O no hydrogen 3.220 N/A ALA 189.A N ILE 250.A O no hydrogen 3.047 N/A PHE 191.A N PHE 248.A O no hydrogen 3.062 N/A LEU 193.A N TYR 246.A O no hydrogen 3.064 N/A ASN 196.A ND2 GLU 200.A OE1 no hydrogen 3.108 N/A CYS 197.A N PRO 194.A O no hydrogen 2.973 N/A CYS 197.A SG SER 27.A OG no hydrogen 3.389 N/A TRP 198.A N GLU 195.A O no hydrogen 2.767 N/A THR 199.A N GLU 195.A O no hydrogen 3.150 N/A THR 199.A OG1 GLU 195.A O no hydrogen 3.534 N/A HIS 201.A N ASN 196.A O no hydrogen 3.043 N/A TYR 202.A N TRP 198.A O no hydrogen 3.180 N/A PHE 203.A N TRP 198.A O no hydrogen 2.726 N/A ALA 204.A N THR 199.A O no hydrogen 2.876 N/A GLN 206.A N PHE 203.A O no hydrogen 2.941 N/A GLN 206.A NE2 TYR 202.A O no hydrogen 3.094 N/A ASP 207.A N ALA 204.A O no hydrogen 2.621 N/A GLU 208.A N PRO 205.A O no hydrogen 3.294 N/A ARG 210.A N GLN 206.A O no hydrogen 3.183 N/A ARG 210.A NH2 ASP 207.A OD1 no hydrogen 2.890 N/A THR 212.A OG1 VAL 209.A O no hydrogen 3.261 N/A PHE 213.A N VAL 209.A O no hydrogen 3.160 N/A MET 214.A N ARG 210.A O no hydrogen 2.859 N/A LYS 215.A N GLU 211.A O no hydrogen 3.001 N/A GLU 216.A N THR 212.A O no hydrogen 3.048 N/A HIS 217.A N PHE 213.A O no hydrogen 2.929 N/A ASN 220.A N HIS 217.A O no hydrogen 3.073 N/A ALA 223.A N ASN 220.A OD1 no hydrogen 2.951 N/A MET 224.A N ASN 220.A O no hydrogen 3.025 N/A ASP 225.A N LYS 221.A O no hydrogen 3.074 N/A PHE 226.A N THR 222.A O no hydrogen 3.116 N/A MET 227.A N ALA 223.A O no hydrogen 3.082 N/A LYS 228.A N MET 224.A O no hydrogen 3.060 N/A GLY 229.A N ASP 225.A O no hydrogen 3.070 N/A GLN 230.A N PHE 226.A O no hydrogen 3.010 N/A GLN 230.A NE2 GLN 206.A OE1 no hydrogen 3.461 N/A GLN 231.A N MET 227.A O no hydrogen 2.980 N/A TYR 232.A N LYS 228.A O no hydrogen 2.936 N/A TYR 232.A OH GLU 158.A OE2 no hydrogen 3.102 N/A GLU 233.A N GLY 229.A O no hydrogen 3.061 N/A ARG 234.A N GLN 230.A O no hydrogen 3.070 N/A ARG 234.A NH2 PHE 203.A O no hydrogen 3.247 N/A SER 235.A N GLN 231.A O no hydrogen 3.082 N/A SER 235.A OG TYR 232.A O no hydrogen 2.998 N/A LEU 236.A N TYR 232.A O no hydrogen 2.836 N/A TYR 237.A N GLU 233.A O no hydrogen 3.206 N/A TYR 237.A N ARG 234.A O no hydrogen 3.192 N/A SER 238.A N ARG 234.A O no hydrogen 3.369 N/A LYS 239.A N SER 235.A O no hydrogen 3.273 N/A TYR 240.A N LEU 236.A O no hydrogen 2.818 N/A TYR 240.A OH GLU 158.A OE1 no hydrogen 2.584 N/A TYR 243.A N TYR 240.A O no hydrogen 2.833 N/A GLY 245.A N SER 149.A O no hydrogen 3.232 N/A TYR 246.A OH GLY 119.A O no hydrogen 2.970 N/A VAL 247.A N GLU 147.A O no hydrogen 2.727 N/A PHE 248.A N PHE 191.A O no hydrogen 2.887 N/A TYR 249.A N VAL 145.A O no hydrogen 2.761 N/A TYR 249.A OH SER 149.A OG no hydrogen 2.715 N/A ILE 250.A N ALA 189.A O no hydrogen 2.788 N/A GLY 251.A N ILE 143.A O no hydrogen 2.992 N/A GLN 252.A N THR 186.A O no hydrogen 3.033 N/A LYS 253.A N GLY 141.A O no hydrogen 2.920 N/A LYS 253.A NZ SER 134.A O no hydrogen 3.131 N/A LYS 253.A NZ LEU 137.A O no hydrogen 2.752 N/A ARG 254.A N GLY 184.A O no hydrogen 2.970 N/A