Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N LEU 217.A O no hydrogen 2.863 N/A LEU 5.A N TYR 215.A O no hydrogen 2.838 N/A VAL 6.A N VAL 178.A O no hydrogen 3.145 N/A LEU 7.A N LEU 213.A O no hydrogen 2.760 N/A LEU 8.A N VAL 180.A O no hydrogen 2.835 N/A ARG 9.A NH1 ILE 207.A O no hydrogen 2.672 N/A HIS 10.A N ALA 182.A O no hydrogen 3.166 N/A HIS 10.A ND1 GLY 11.A O no hydrogen 2.581 N/A GLU 12.A N GLU 36.A OE1 no hydrogen 3.161 N/A SER 13.A N ASN 16.A OD1 no hydrogen 2.975 N/A THR 14.A N PRO 28.A O no hydrogen 3.174 N/A THR 14.A OG1 PRO 28.A O no hydrogen 3.539 N/A ASN 16.A N SER 13.A OG no hydrogen 3.361 N/A GLU 18.A N THR 14.A O no hydrogen 3.280 N/A LYS 20.A N TRP 15.A O no hydrogen 3.119 N/A LYS 20.A NZ GLU 18.A OE1 no hydrogen 3.405 N/A PHE 21.A N LEU 97.A O no hydrogen 3.285 N/A TRP 24.A N GLN 95.A OE1 no hydrogen 2.986 N/A THR 25.A N THR 22.A O no hydrogen 3.149 N/A THR 25.A OG1 THR 22.A O no hydrogen 2.675 N/A SER 30.A N GLU 12.A O no hydrogen 3.050 N/A SER 30.A OG GLU 12.A O no hydrogen 3.555 N/A SER 30.A OG GLU 12.A OE1 no hydrogen 3.163 N/A GLY 33.A N SER 30.A OG no hydrogen 3.206 N/A GLU 34.A N SER 30.A O no hydrogen 2.920 N/A GLU 35.A N GLU 31.A O no hydrogen 2.952 N/A GLU 36.A N LYS 32.A O no hydrogen 3.012 N/A ALA 37.A N GLY 33.A O no hydrogen 3.440 N/A ILE 38.A N GLU 34.A O no hydrogen 3.155 N/A ALA 39.A N GLU 35.A O no hydrogen 3.102 N/A ALA 40.A N GLU 36.A O no hydrogen 2.774 N/A GLY 41.A N ALA 37.A O no hydrogen 2.960 N/A LYS 42.A N ILE 38.A O no hydrogen 3.039 N/A TYR 43.A N ALA 39.A O no hydrogen 3.241 N/A LEU 44.A N ALA 40.A O no hydrogen 3.214 N/A LYS 45.A N GLY 41.A O no hydrogen 3.042 N/A GLU 46.A N LYS 42.A O no hydrogen 2.638 N/A LYS 47.A N TYR 43.A O no hydrogen 3.179 N/A ASN 48.A N LYS 45.A O no hydrogen 2.849 N/A PHE 49.A N LEU 44.A O no hydrogen 2.817 N/A ASP 52.A N LYS 177.A O no hydrogen 2.806 N/A VAL 53.A N LYS 177.A O no hydrogen 3.452 N/A VAL 54.A N PRO 79.A O no hydrogen 2.941 N/A TYR 55.A N MET 179.A O no hydrogen 2.916 N/A TYR 55.A OH ASP 171.A OD2 no hydrogen 2.536 N/A THR 56.A N VAL 81.A O no hydrogen 2.919 N/A THR 56.A OG1 ALA 181.A O no hydrogen 2.553 N/A SER 57.A OG HIS 183.A NE2 no hydrogen 2.839 N/A VAL 58.A N ASN 87.A OD1 no hydrogen 3.308 N/A LEU 59.A N SER 57.A OG no hydrogen 3.121 N/A LYS 60.A N ASP 26.A OD1 no hydrogen 2.745 N/A ARG 61.A NE HIS 10.A NE2 no hydrogen 3.256 N/A ARG 61.A NH1 THR 25.A O no hydrogen 2.823 N/A ARG 61.A NH2 GLY 23.A O no hydrogen 2.758 N/A ALA 62.A N LEU 59.A O no hydrogen 2.920 N/A ILE 63.A N LEU 59.A O no hydrogen 3.081 N/A CYS 64.A N LYS 60.A O no hydrogen 2.667 N/A CYS 64.A SG.A LYS 60.A O no hydrogen 3.335 N/A THR 65.A OG1 ARG 61.A O no hydrogen 2.915 N/A ALA 66.A N ALA 62.A O no hydrogen 3.023 N/A TRP 67.A N ILE 63.A O no hydrogen 2.907 N/A ASN 68.A N CYS 64.A O no hydrogen 2.921 N/A ASN 68.A ND2 CYS 64.A O no hydrogen 2.827 N/A VAL 69.A N THR 65.A O no hydrogen 2.984 N/A LEU 70.A N ALA 66.A O no hydrogen 3.123 N/A LYS 71.A N TRP 67.A O no hydrogen 2.900 N/A THR 72.A N ASN 68.A O no hydrogen 2.987 N/A THR 72.A OG1 ASN 68.A O no hydrogen 2.745 N/A ALA 73.A N VAL 69.A O no hydrogen 2.893 N/A ASP 74.A N LYS 71.A O no hydrogen 3.236 N/A LEU 75.A N LEU 70.A O no hydrogen 2.841 N/A VAL 78.A N LEU 75.A O no hydrogen 3.228 N/A VAL 81.A N VAL 54.A O no hydrogen 2.817 N/A THR 83.A N THR 56.A O no hydrogen 2.953 N/A ARG 85.A N THR 83.A OG1 no hydrogen 3.199 N/A ARG 85.A NH1 ARG 159.A O no hydrogen 2.847 N/A LEU 86.A N THR 83.A O no hydrogen 3.293 N/A ASN 87.A N TRP 84.A O no hydrogen 2.948 N/A ASN 87.A ND2 TYR 139.A OH no hydrogen 2.977 N/A ARG 89.A N GLU 88.A OE1 no hydrogen 2.754 N/A ARG 89.A NH2 ARG 115.A O no hydrogen 3.475 N/A ARG 89.A NH2 ASN 185.A OD1 no hydrogen 3.400 N/A HIS 90.A N GLU 151.A OE1 no hydrogen 2.831 N/A CYS 91.A N GLN 95.A OE1 no hydrogen 3.277 N/A CYS 91.A SG ARG 89.A O no hydrogen 3.959 N/A GLY 92.A N HIS 90.A ND1 no hydrogen 2.968 N/A SER 93.A N PRO 123.A O no hydrogen 2.846 N/A SER 93.A OG PRO 123.A O no hydrogen 3.288 N/A LEU 94.A N CYS 91.A O no hydrogen 3.076 N/A GLN 95.A N GLY 92.A O no hydrogen 3.387 N/A GLY 96.A N PHE 21.A O no hydrogen 3.046 N/A LEU 97.A N LEU 94.A O no hydrogen 2.920 N/A ASN 98.A N GLU 101.A OE2 no hydrogen 3.062 N/A LYS 99.A N ASN 19.A O no hydrogen 2.906 N/A SER 100.A N ASN 98.A OD1 no hydrogen 2.758 N/A SER 100.A OG ASN 98.A OD1 no hydrogen 3.295 N/A THR 102.A N ASN 98.A O no hydrogen 3.210 N/A THR 102.A OG1 ASN 98.A O no hydrogen 2.793 N/A ALA 103.A N LYS 99.A O no hydrogen 3.273 N/A LYS 104.A N SER 100.A O no hydrogen 2.973 N/A LYS 105.A N GLU 101.A O no hydrogen 2.848 N/A TYR 106.A N THR 102.A O no hydrogen 2.900 N/A VAL 111.A N GLY 107.A O no hydrogen 3.213 N/A LYS 112.A N GLU 108.A O no hydrogen 3.131 N/A ILE 113.A N GLU 109.A O no hydrogen 3.281 N/A TRP 114.A N GLN 110.A O no hydrogen 3.326 N/A ARG 115.A N VAL 111.A O no hydrogen 3.317 N/A ARG 115.A N LYS 112.A O no hydrogen 3.251 N/A ARG 116.A N LYS 112.A O no hydrogen 2.918 N/A SER 117.A N ILE 113.A O no hydrogen 3.145 N/A SER 117.A OG ILE 113.A O no hydrogen 2.839 N/A ILE 120.A N SER 117.A OG no hydrogen 3.248 N/A LEU 125.A N PHE 149.A O no hydrogen 3.044 N/A LYS 127.A NZ GLU 128.A OE2 no hydrogen 3.093 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.734 N/A ASP 129.A N ASP 126.A O no hydrogen 3.095 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.973 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 3.095 N/A ARG 131.A NH1 SER 93.A O no hydrogen 2.824 N/A ARG 131.A NH1 GLN 95.A O no hydrogen 2.757 N/A ARG 131.A NH2 ASP 129.A OD2 no hydrogen 3.120 N/A TRP 132.A N ASP 129.A O no hydrogen 2.985 N/A HIS 135.A N TRP 132.A O no hydrogen 3.041 N/A HIS 135.A NE2 LYS 127.A O no hydrogen 2.684 N/A ASN 136.A N PRO 133.A O no hydrogen 2.971 N/A VAL 138.A N ASN 136.A OD1 no hydrogen 2.920 N/A TYR 139.A N ASN 136.A O no hydrogen 2.990 N/A LYS 140.A N VAL 137.A O no hydrogen 2.982 N/A VAL 142.A N TYR 139.A O no hydrogen 3.076 N/A LYS 144.A NZ TYR 139.A O no hydrogen 3.478 N/A LYS 144.A NZ LYS 140.A O no hydrogen 2.752 N/A LYS 144.A NZ VAL 142.A O no hydrogen 2.847 N/A ALA 146.A N PRO 143.A O no hydrogen 2.956 N/A LEU 147.A N LYS 144.A O no hydrogen 3.110 N/A THR 150.A OG1 PRO 122.A O no hydrogen 2.800 N/A GLU 151.A N HIS 90.A O no hydrogen 3.064 N/A CYS 152.A N ASP 155.A OD2 no hydrogen 3.077 N/A CYS 152.A SG TYR 118.A O no hydrogen 3.591 N/A CYS 152.A SG ASP 155.A OD2 no hydrogen 3.476 N/A LYS 154.A N TYR 118.A O no hydrogen 2.974 N/A THR 156.A N CYS 152.A O no hydrogen 3.252 N/A THR 156.A OG1 GLU 151.A OE1 no hydrogen 3.208 N/A THR 156.A OG1 CYS 152.A O no hydrogen 3.563 N/A VAL 157.A N LEU 153.A O no hydrogen 2.875 N/A GLU 158.A N LYS 154.A O no hydrogen 2.967 N/A ARG 159.A N ASP 155.A O no hydrogen 3.026 N/A ARG 159.A N THR 156.A O no hydrogen 3.181 N/A ARG 159.A NE GLU 151.A OE2 no hydrogen 2.734 N/A ARG 159.A NH1 ARG 85.A O no hydrogen 2.892 N/A ARG 159.A NH1 ASN 87.A O no hydrogen 2.760 N/A ARG 159.A NH2 ASN 87.A O no hydrogen 2.801 N/A ARG 159.A NH2 GLU 151.A OE1 no hydrogen 2.855 N/A VAL 160.A N THR 156.A O no hydrogen 3.039 N/A LEU 161.A N VAL 157.A O no hydrogen 3.340 N/A TRP 164.A N VAL 160.A O no hydrogen 3.070 N/A PHE 165.A N LEU 161.A O no hydrogen 2.942 N/A ASP 166.A N PRO 162.A O no hydrogen 2.901 N/A HIS 167.A N PHE 163.A O no hydrogen 2.988 N/A ILE 168.A N PHE 163.A O no hydrogen 3.245 N/A ALA 169.A N TRP 164.A O no hydrogen 2.878 N/A ASP 171.A N HIS 167.A O no hydrogen 3.230 N/A ILE 172.A N ILE 168.A O no hydrogen 3.050 N/A LEU 173.A N ALA 169.A O no hydrogen 2.963 N/A ALA 174.A N PRO 170.A O no hydrogen 2.966 N/A ASN 175.A N ILE 172.A O no hydrogen 2.928 N/A LYS 176.A N ASP 171.A O no hydrogen 3.113 N/A LYS 177.A N ASP 52.A OD2 no hydrogen 2.843 N/A MET 179.A N VAL 53.A O no hydrogen 3.225 N/A VAL 180.A N VAL 6.A O no hydrogen 2.761 N/A ALA 181.A N TYR 55.A O no hydrogen 2.901 N/A ALA 182.A N LEU 8.A O no hydrogen 2.956 N/A HIS 183.A N SER 186.A OG no hydrogen 3.184 N/A HIS 183.A ND1 HIS 10.A NE2 no hydrogen 2.995 N/A HIS 183.A NE2 SER 57.A OG no hydrogen 2.839 N/A ASN 185.A ND2 GLU 88.A OE1 no hydrogen 2.649 N/A SER 186.A OG LEU 86.A O no hydrogen 2.927 N/A SER 186.A OG HIS 183.A O no hydrogen 3.134 N/A LEU 187.A N HIS 183.A O no hydrogen 2.813 N/A ARG 188.A N GLY 184.A O no hydrogen 2.776 N/A ARG 188.A NH1 VAL 202.A O no hydrogen 3.195 N/A ARG 188.A NH1 LEU 205.A O no hydrogen 3.311 N/A ARG 188.A NH2 ASN 185.A OD1 no hydrogen 2.771 N/A GLY 189.A N ASN 185.A O no hydrogen 3.057 N/A LEU 190.A N SER 186.A O no hydrogen 3.220 N/A VAL 191.A N LEU 187.A O no hydrogen 2.863 N/A LYS 192.A N ARG 188.A O no hydrogen 2.858 N/A LYS 192.A NZ LEU 197.A O no hydrogen 2.966 N/A HIS 193.A N GLY 189.A O no hydrogen 3.464 N/A LEU 194.A N LEU 190.A O no hydrogen 2.957 N/A ASP 195.A N VAL 191.A O no hydrogen 2.969 N/A ASN 196.A N HIS 193.A O no hydrogen 3.012 N/A ASN 196.A ND2 HIS 193.A O no hydrogen 3.677 N/A LEU 197.A N LYS 192.A O no hydrogen 2.797 N/A ASP 201.A N SER 198.A OG no hydrogen 3.229 N/A VAL 202.A N SER 198.A O no hydrogen 3.105 N/A LEU 203.A N GLU 199.A O no hydrogen 3.154 N/A GLU 204.A N ALA 200.A O no hydrogen 3.217 N/A LEU 205.A N VAL 202.A O no hydrogen 3.343 N/A THR 209.A OG1 GLU 36.A OE2 no hydrogen 2.685 N/A GLY 210.A N ARG 9.A O no hydrogen 2.836 N/A LEU 213.A N LEU 7.A O no hydrogen 2.728 N/A VAL 214.A N TYR 227.A O no hydrogen 2.791 N/A TYR 215.A N LEU 5.A O no hydrogen 2.743 N/A TYR 215.A OH ASP 195.A OD2 no hydrogen 2.585 N/A GLU 216.A N LYS 225.A O no hydrogen 2.926 N/A LEU 217.A N TYR 3.A O no hydrogen 2.923 N/A ASP 218.A N LYS 222.A O no hydrogen 2.939 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.731 N/A ASN 220.A N ASP 218.A OD1 no hydrogen 2.934 N/A LEU 221.A N ASP 218.A O no hydrogen 2.857 N/A LYS 222.A N ASP 218.A OD1 no hydrogen 2.814 N/A ILE 224.A N GLU 216.A O no hydrogen 2.690 N/A LYS 225.A N GLU 216.A O no hydrogen 3.465 N/A TYR 227.A N VAL 214.A O no hydrogen 3.020 N/A LEU 229.A N PRO 212.A O no hydrogen 3.072 N/A LEU 230.A N TYR 228.A O no hydrogen 3.027 N/A