Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k8s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N GLU 1.A O no hydrogen 2.910 N/A LEU 5.A N GLU 1.A O no hydrogen 3.052 N/A ARG 6.A N SER 2.A O no hydrogen 2.969 N/A ARG 6.A NH1 GLN 210.A OE1 no hydrogen 3.487 N/A ARG 6.A NH2 GLN 210.A OE1 no hydrogen 2.608 N/A ALA 7.A N ALA 3.A O no hydrogen 3.173 N/A LEU 8.A N ASP 4.A O no hydrogen 2.875 N/A ALA 9.A N LEU 5.A O no hydrogen 3.238 N/A LYS 10.A N ARG 6.A O no hydrogen 3.369 N/A LYS 10.A NZ ASP 14.A OD1 no hydrogen 3.269 N/A HIS 11.A N ALA 7.A O no hydrogen 2.949 N/A HIS 11.A NE2 SER 92.A O no hydrogen 2.838 N/A LEU 12.A N LEU 8.A O no hydrogen 2.875 N/A TYR 13.A N ALA 9.A O no hydrogen 2.788 N/A ASP 14.A N LYS 10.A O no hydrogen 2.910 N/A SER 15.A N HIS 11.A O no hydrogen 3.010 N/A SER 15.A OG SER 92.A OG no hydrogen 2.464 N/A TYR 16.A N LEU 12.A O no hydrogen 2.732 N/A ILE 17.A N TYR 13.A O no hydrogen 2.877 N/A LYS 18.A N ASP 14.A O no hydrogen 3.169 N/A SER 19.A N SER 15.A O no hydrogen 2.983 N/A SER 19.A OG SER 15.A O no hydrogen 3.373 N/A PHE 20.A N TYR 16.A O no hydrogen 2.825 N/A LYS 24.A N ASP 171.A OD1 no hydrogen 2.739 N/A LYS 24.A NZ LEU 169.A O no hydrogen 2.615 N/A ALA 25.A N ASP 171.A OD2 no hydrogen 3.058 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.045 N/A ALA 27.A N THR 23.A O no hydrogen 2.911 N/A ARG 28.A N LYS 24.A O no hydrogen 2.787 N/A ARG 28.A NH1.B MET 124.A O no hydrogen 3.052 N/A ARG 28.A NH2.B SER 122.A O no hydrogen 2.764 N/A ARG 28.A NH2.B MET 124.A O no hydrogen 2.669 N/A ALA 29.A N ALA 25.A O no hydrogen 3.088 N/A ALA 29.A N LYS 26.A O no hydrogen 2.967 N/A ILE 30.A N LYS 26.A O no hydrogen 3.181 N/A LEU 31.A N ALA 27.A O no hydrogen 3.168 N/A THR 32.A N ARG 28.A O no hydrogen 3.016 N/A THR 32.A OG1 ARG 28.A O no hydrogen 2.917 N/A THR 32.A OG1 ALA 29.A O no hydrogen 3.328 N/A GLY 33.A N ILE 30.A O no hydrogen 3.416 N/A ASP 37.A N THR 35.A OG1 no hydrogen 3.344 N/A PHE 41.A N GLN 135.A O no hydrogen 2.947 N/A ILE 43.A N PHE 137.A O no hydrogen 2.897 N/A TYR 44.A N SER 48.A OG no hydrogen 2.996 N/A ASP 45.A N SER 48.A OG no hydrogen 3.119 N/A SER 48.A N ASP 45.A OD1 no hydrogen 3.236 N/A SER 48.A OG ASP 45.A O no hydrogen 2.736 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.898 N/A LEU 49.A N ASP 45.A O no hydrogen 2.999 N/A MET 50.A N MET 46.A O no hydrogen 3.029 N/A MET 51.A N ASN 47.A O no hydrogen 3.118 N/A GLY 52.A N SER 48.A O no hydrogen 2.837 N/A ILE 56.A N GLY 52.A O no hydrogen 2.861 N/A LYS 57.A N ASP 54.A O no hydrogen 3.104 N/A PHE 58.A N GLU 53.A O no hydrogen 3.235 N/A THR 62.A OG1 PHE 58.A O no hydrogen 3.248 N/A GLN 65.A N GLN 65.A OE1 no hydrogen 2.626 N/A ALA 68.A N GLU 66.A OE1 no hydrogen 2.700 N/A ARG 70.A N GLU 66.A O no hydrogen 3.115 N/A ARG 70.A NH2 GLU 53.A OE1 no hydrogen 2.644 N/A ILE 71.A N VAL 67.A O no hydrogen 2.834 N/A PHE 72.A N ALA 68.A O no hydrogen 3.045 N/A GLN 73.A N ILE 69.A O no hydrogen 3.007 N/A GLY 74.A N ARG 70.A O no hydrogen 3.137 N/A CYS 75.A N ILE 71.A O no hydrogen 3.041 N/A CYS 75.A SG ILE 71.A O no hydrogen 3.645 N/A GLN 76.A N PHE 72.A O no hydrogen 3.141 N/A GLN 76.A NE2 PHE 72.A O no hydrogen 3.465 N/A PHE 77.A N GLN 73.A O no hydrogen 3.080 N/A ARG 78.A N GLY 74.A O no hydrogen 2.932 N/A ARG 78.A NH1.A GLU 81.A OE1 no hydrogen 2.691 N/A SER 79.A N CYS 75.A O no hydrogen 2.815 N/A SER 79.A OG CYS 75.A O no hydrogen 3.176 N/A VAL 80.A N GLN 76.A O no hydrogen 2.836 N/A GLU 81.A N PHE 77.A O no hydrogen 3.151 N/A ALA 82.A N ARG 78.A O no hydrogen 2.944 N/A VAL 83.A N SER 79.A O no hydrogen 2.852 N/A GLN 84.A N VAL 80.A O no hydrogen 3.334 N/A GLU 85.A N GLU 81.A O no hydrogen 3.172 N/A ILE 86.A N ALA 82.A O no hydrogen 2.834 N/A THR 87.A N VAL 83.A O no hydrogen 2.842 N/A THR 87.A OG1 VAL 83.A O no hydrogen 2.846 N/A GLU 88.A N GLN 84.A O no hydrogen 3.114 N/A GLU 88.A N GLU 85.A O no hydrogen 3.271 N/A TYR 89.A N GLU 85.A O no hydrogen 3.133 N/A TYR 89.A OH ALA 175.A O no hydrogen 2.911 N/A ALA 90.A N ILE 86.A O no hydrogen 2.932 N/A SER 92.A N TYR 89.A O no hydrogen 3.038 N/A SER 92.A OG SER 15.A OG no hydrogen 2.464 N/A SER 92.A OG TYR 89.A O no hydrogen 2.695 N/A ILE 93.A N ALA 90.A O no hydrogen 2.801 N/A PHE 96.A N ILE 93.A O no hydrogen 2.891 N/A ASN 98.A N GLY 95.A O no hydrogen 3.064 N/A LEU 99.A N PHE 96.A O no hydrogen 3.161 N/A ASN 102.A N ASP 100.A OD2 no hydrogen 3.032 N/A ASN 102.A ND2 ASP 100.A OD2 no hydrogen 2.934 N/A GLN 104.A N ASP 100.A O no hydrogen 3.256 N/A GLN 104.A NE2 LEU 99.A O no hydrogen 3.095 N/A VAL 105.A N LEU 101.A O no hydrogen 3.309 N/A THR 106.A N ASN 102.A O no hydrogen 2.891 N/A THR 106.A OG1 ASN 102.A O no hydrogen 3.131 N/A LEU 107.A N ASP 103.A O no hydrogen 2.661 N/A LEU 108.A N GLN 104.A O no hydrogen 3.065 N/A LYS 109.A N VAL 105.A O no hydrogen 2.818 N/A TYR 110.A N THR 106.A O no hydrogen 3.093 N/A GLY 111.A N LEU 108.A O no hydrogen 2.949 N/A VAL 112.A N LEU 108.A O no hydrogen 2.964 N/A ILE 115.A N GLY 111.A O no hydrogen 3.170 N/A ILE 116.A N VAL 112.A O no hydrogen 2.738 N/A TYR 117.A N HIS 113.A O no hydrogen 3.277 N/A THR 118.A N GLU 114.A O no hydrogen 3.218 N/A THR 118.A OG1 GLU 114.A O no hydrogen 2.815 N/A MET 119.A N ILE 115.A O no hydrogen 3.016 N/A LEU 120.A N ILE 116.A O no hydrogen 2.757 N/A ALA 121.A N TYR 117.A O no hydrogen 3.054 N/A ALA 121.A N THR 118.A O no hydrogen 3.216 N/A SER 122.A N MET 119.A O no hydrogen 2.718 N/A LEU 123.A N LEU 120.A O no hydrogen 2.973 N/A MET 124.A N ALA 121.A O no hydrogen 3.310 N/A ASN 125.A N GLY 128.A O no hydrogen 2.992 N/A LYS 126.A NZ ASP 127.A OD1 no hydrogen 3.448 N/A ASP 127.A N ASN 125.A OD1 no hydrogen 2.711 N/A GLY 128.A N ASN 125.A O no hydrogen 3.202 N/A GLY 128.A N ASN 125.A OD1 no hydrogen 3.003 N/A VAL 129.A N MET 138.A O no hydrogen 3.024 N/A LEU 130.A N LEU 123.A O no hydrogen 2.725 N/A ILE 131.A N GLY 136.A O no hydrogen 3.006 N/A SER 132.A OG ILE 56.A O no hydrogen 2.749 N/A GLY 134.A N ILE 131.A O no hydrogen 2.904 N/A GLN 135.A N SER 132.A O no hydrogen 2.925 N/A GLY 136.A N ILE 131.A O no hydrogen 2.960 N/A PHE 137.A N PHE 41.A O no hydrogen 3.077 N/A MET 138.A N VAL 129.A O no hydrogen 3.009 N/A THR 139.A N ILE 43.A O no hydrogen 3.142 N/A ARG 140.A N ASP 127.A O no hydrogen 2.451 N/A ARG 140.A NE GLU 155.A OE1 no hydrogen 3.368 N/A ARG 140.A NE GLU 155.A OE2 no hydrogen 3.095 N/A ARG 140.A NH1 LYS 126.A O no hydrogen 2.875 N/A ARG 140.A NH2 GLU 155.A OE2 no hydrogen 2.631 N/A PHE 142.A N THR 139.A OG1 no hydrogen 3.186 N/A LEU 143.A N THR 139.A O no hydrogen 3.314 N/A LYS 144.A N ARG 140.A O no hydrogen 2.955 N/A SER 145.A N GLU 141.A O no hydrogen 2.701 N/A SER 145.A N PHE 142.A O no hydrogen 3.155 N/A SER 145.A OG PHE 142.A O no hydrogen 2.619 N/A LEU 146.A N LEU 143.A O no hydrogen 3.288 N/A ARG 147.A NE GLU 66.A OE2 no hydrogen 2.575 N/A LYS 148.A NZ ASP 152.A OD1 no hydrogen 3.044 N/A GLY 151.A N ARG 147.A O no hydrogen 3.137 N/A ASP 152.A N PRO 149.A O no hydrogen 2.857 N/A PHE 153.A N PHE 150.A O no hydrogen 3.334 N/A LYS 157.A NZ HIS 239.A ND1 no hydrogen 2.869 N/A PHE 158.A N MET 154.A O no hydrogen 3.121 N/A PHE 158.A N GLU 155.A O no hydrogen 3.018 N/A GLU 159.A N GLU 155.A O no hydrogen 3.147 N/A PHE 160.A N PRO 156.A O no hydrogen 3.116 N/A ALA 161.A N LYS 157.A O no hydrogen 2.933 N/A VAL 162.A N PHE 158.A O no hydrogen 2.875 N/A LYS 163.A N GLU 159.A O no hydrogen 3.317 N/A PHE 164.A N PHE 160.A O no hydrogen 2.632 N/A ASN 165.A N ALA 161.A O no hydrogen 2.630 N/A ASN 165.A ND2 ALA 121.A O no hydrogen 3.088 N/A ALA 166.A N LYS 163.A O no hydrogen 3.151 N/A LEU 167.A N PHE 164.A O no hydrogen 3.003 N/A GLU 168.A N ASN 165.A O no hydrogen 2.851 N/A ASP 170.A N ASP 173.A OD2 no hydrogen 2.800 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.416 N/A SER 172.A OG ASP 170.A OD2 no hydrogen 3.175 N/A ASP 173.A N ASP 170.A O no hydrogen 2.801 N/A ASP 173.A N ASP 170.A OD1 no hydrogen 2.774 N/A LEU 174.A N ASP 170.A O no hydrogen 2.818 N/A ALA 175.A N ASP 171.A O no hydrogen 2.999 N/A PHE 177.A N ASP 173.A O no hydrogen 3.075 N/A ILE 178.A N LEU 174.A O no hydrogen 2.827 N/A ALA 179.A N ALA 175.A O no hydrogen 3.272 N/A VAL 180.A N ILE 176.A O no hydrogen 2.954 N/A ILE 181.A N PHE 177.A O no hydrogen 3.133 N/A ILE 182.A N ILE 178.A O no hydrogen 3.030 N/A LEU 183.A N ALA 179.A O no hydrogen 2.996 N/A SER 184.A OG ILE 181.A O no hydrogen 2.885 N/A ARG 187.A NH1 GLU 114.A OE2 no hydrogen 2.927 N/A ARG 187.A NH2 GLU 114.A OE1 no hydrogen 3.176 N/A ARG 187.A NH2 GLU 114.A OE2 no hydrogen 3.551 N/A ARG 187.A NH2 ILE 181.A O no hydrogen 3.242 N/A LEU 191.A N ASP 103.A OD1 no hydrogen 2.829 N/A ASN 192.A N ASP 103.A OD2 no hydrogen 3.208 N/A GLU 197.A N VAL 193.A O no hydrogen 2.983 N/A ASP 198.A N LYS 194.A O no hydrogen 2.957 N/A ILE 199.A N PRO 195.A O no hydrogen 2.979 N/A GLN 200.A N ILE 196.A O no hydrogen 3.069 N/A GLN 200.A NE2 VAL 180.A O no hydrogen 3.169 N/A ASP 201.A N GLU 197.A O no hydrogen 3.094 N/A ASN 202.A ND2 ASP 198.A O no hydrogen 3.608 N/A LEU 203.A N ILE 199.A O no hydrogen 2.914 N/A LEU 204.A N GLN 200.A O no hydrogen 2.546 N/A GLN 205.A N ASP 201.A O no hydrogen 2.905 N/A ALA 206.A N ASN 202.A O no hydrogen 2.974 N/A LEU 207.A N LEU 203.A O no hydrogen 2.714 N/A GLU 208.A N LEU 204.A O no hydrogen 2.955 N/A LEU 209.A N GLN 205.A O no hydrogen 2.928 N/A GLN 210.A N ALA 206.A O no hydrogen 2.976 N/A GLN 210.A NE2 ASP 173.A OD1 no hydrogen 3.022 N/A LEU 211.A N LEU 207.A O no hydrogen 2.916 N/A LYS 212.A N GLU 208.A O no hydrogen 3.014 N/A LEU 213.A N LEU 209.A O no hydrogen 3.078 N/A ASN 214.A N GLN 210.A O no hydrogen 2.998 N/A ASN 214.A ND2 ASP 170.A OD2 no hydrogen 2.905 N/A ASN 214.A ND2 ASP 173.A OD1 no hydrogen 3.492 N/A ASN 214.A ND2 HIS 215.A NE2 no hydrogen 2.769 N/A HIS 215.A N LEU 211.A O no hydrogen 2.784 N/A HIS 215.A NE2 ASP 173.A OD2 no hydrogen 2.643 N/A SER 218.A N HIS 215.A O no hydrogen 3.045 N/A LYS 224.A N GLN 220.A O no hydrogen 2.805 N/A LYS 224.A NZ SER 219.A O no hydrogen 2.689 N/A LEU 225.A N LEU 221.A O no hydrogen 2.688 N/A LEU 226.A N PHE 222.A O no hydrogen 2.932 N/A GLN 227.A N ALA 223.A O no hydrogen 2.978 N/A LYS 228.A N LYS 224.A O no hydrogen 3.233 N/A LYS 228.A NZ ASP 231.A OD2 no hydrogen 3.468 N/A MET 229.A N LEU 226.A O no hydrogen 3.038 N/A THR 230.A N GLN 227.A O no hydrogen 2.684 N/A ASP 231.A N GLN 227.A O no hydrogen 3.400 N/A LEU 232.A N LYS 228.A O no hydrogen 2.887 N/A ARG 233.A N MET 229.A O no hydrogen 3.197 N/A ARG 233.A NH1 ASP 186.A OD2 no hydrogen 2.825 N/A ARG 233.A NH2 ASP 186.A OD1 no hydrogen 3.133 N/A GLN 234.A N THR 230.A O no hydrogen 3.090 N/A GLN 234.A NE2 GLN 234.A O no hydrogen 3.573 N/A ILE 235.A N ASP 231.A O no hydrogen 2.925 N/A VAL 236.A N LEU 232.A O no hydrogen 2.861 N/A THR 237.A N ARG 233.A O no hydrogen 3.035 N/A GLU 238.A N GLN 234.A O no hydrogen 3.010 N/A HIS 239.A N ILE 235.A O no hydrogen 3.037 N/A VAL 240.A N VAL 236.A O no hydrogen 3.116 N/A GLN 241.A N THR 237.A O no hydrogen 3.239 N/A LEU 242.A N GLU 238.A O no hydrogen 3.011 N/A LEU 243.A N HIS 239.A O no hydrogen 2.854 N/A GLN 244.A N VAL 240.A O no hydrogen 2.935 N/A GLN 244.A NE2 VAL 240.A O no hydrogen 3.570 N/A VAL 245.A N GLN 241.A O no hydrogen 3.412 N/A ILE 246.A N LEU 242.A O no hydrogen 3.182 N/A ILE 246.A N LEU 243.A O no hydrogen 2.731 N/A LYS 247.A N LEU 243.A O no hydrogen 3.010 N/A LYS 248.A N GLN 244.A O no hydrogen 3.109 N/A THR 249.A N VAL 245.A O no hydrogen 3.271 N/A THR 249.A OG1 VAL 245.A O no hydrogen 3.485 N/A GLN 256.A N HIS 252.A O no hydrogen 3.033 N/A GLU 257.A N PRO 253.A O no hydrogen 3.158 N/A GLU 257.A N LEU 254.A O no hydrogen 3.310 N/A ILE 258.A N LEU 255.A O no hydrogen 2.986 N/A