Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r1k_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 8.A N THR 5.A OG1 no hydrogen 3.056 N/A SER 10.A N ALA 6.A O no hydrogen 2.685 N/A LEU 11.A N ASN 7.A O no hydrogen 2.709 N/A ILE 12.A N GLN 8.A O no hydrogen 2.700 N/A ALA 13.A N LYS 9.A O no hydrogen 2.770 N/A ARG 14.A N SER 10.A O no hydrogen 2.732 N/A ARG 14.A NE TYR 18.A OH no hydrogen 3.554 N/A ARG 14.A NH2 TYR 18.A OH no hydrogen 3.266 N/A LEU 15.A N LEU 11.A O no hydrogen 2.451 N/A VAL 16.A N ILE 12.A O no hydrogen 2.813 N/A TRP 17.A N ALA 13.A O no hydrogen 3.017 N/A TYR 18.A N ARG 14.A O no hydrogen 2.964 N/A GLN 19.A N LEU 15.A O no hydrogen 2.923 N/A GLU 20.A N VAL 16.A O no hydrogen 3.460 N/A GLY 21.A N TRP 17.A O no hydrogen 2.740 N/A TYR 22.A N TYR 18.A O no hydrogen 2.617 N/A TYR 22.A N GLN 19.A O no hydrogen 3.214 N/A ASP 29.A N SER 26.A OG no hydrogen 2.998 N/A LEU 30.A N SER 26.A O no hydrogen 2.624 N/A LYS 31.A N GLU 27.A O no hydrogen 2.838 N/A ARG 32.A N GLU 28.A O no hydrogen 2.672 N/A ARG 32.A NH2 ASP 29.A OD1 no hydrogen 2.513 N/A VAL 33.A N ASP 29.A O no hydrogen 3.160 N/A THR 34.A N LEU 30.A O no hydrogen 3.194 N/A SER 39.A OG SER 39.A O no hydrogen 2.408 N/A SER 39.A OG LYS 117.A O no hydrogen 2.886 N/A ARG 44.A N ASP 40.A O no hydrogen 2.671 N/A GLN 45.A N MET 41.A O no hydrogen 3.063 N/A GLN 45.A NE2 VAL 33.A O no hydrogen 3.042 N/A ILE 46.A N PRO 42.A O no hydrogen 2.873 N/A THR 47.A N PHE 43.A O no hydrogen 3.024 N/A THR 47.A OG1 PHE 43.A O no hydrogen 2.401 N/A THR 47.A OG1 ARG 44.A O no hydrogen 2.728 N/A GLU 48.A N ARG 44.A O no hydrogen 2.654 N/A MET 49.A N GLN 45.A O no hydrogen 2.694 N/A THR 50.A N ILE 46.A O no hydrogen 3.077 N/A THR 50.A OG1 ILE 46.A O no hydrogen 2.389 N/A ILE 51.A N THR 47.A O no hydrogen 3.153 N/A LEU 52.A N GLU 48.A O no hydrogen 3.383 N/A THR 53.A N MET 49.A O no hydrogen 2.915 N/A THR 53.A OG1 MET 49.A O no hydrogen 3.106 N/A VAL 54.A N THR 50.A O no hydrogen 2.873 N/A GLN 55.A N ILE 51.A O no hydrogen 3.290 N/A LEU 56.A N LEU 52.A O no hydrogen 3.046 N/A ILE 57.A N THR 53.A O no hydrogen 2.919 N/A VAL 58.A N VAL 54.A O no hydrogen 2.803 N/A GLU 59.A N GLN 55.A O no hydrogen 2.915 N/A PHE 60.A N LEU 56.A O no hydrogen 2.889 N/A ALA 61.A N ILE 57.A O no hydrogen 3.090 N/A LYS 62.A N VAL 58.A O no hydrogen 3.175 N/A LYS 62.A N GLU 59.A O no hydrogen 3.116 N/A GLY 63.A N GLU 59.A O no hydrogen 3.097 N/A PHE 67.A N LEU 64.A O no hydrogen 3.000 N/A LYS 69.A N GLY 66.A O no hydrogen 3.082 N/A ILE 70.A N PHE 67.A O no hydrogen 2.957 N/A SER 71.A OG GLU 160.A OE2 no hydrogen 2.548 N/A SER 73.A OG GLU 160.A OE1 no hydrogen 3.006 N/A ASP 74.A N SER 71.A OG no hydrogen 2.799 N/A GLN 75.A N SER 71.A O no hydrogen 2.725 N/A ILE 76.A N GLN 72.A O no hydrogen 3.128 N/A THR 77.A N SER 73.A O no hydrogen 3.193 N/A THR 77.A OG1 SER 73.A O no hydrogen 3.007 N/A LEU 78.A N ASP 74.A O no hydrogen 2.635 N/A LEU 79.A N GLN 75.A O no hydrogen 2.908 N/A LYS 80.A N ILE 76.A O no hydrogen 2.965 N/A ALA 81.A N THR 77.A O no hydrogen 3.209 N/A ALA 81.A N LEU 78.A O no hydrogen 3.050 N/A CYS 82.A N LEU 78.A O no hydrogen 2.913 N/A CYS 82.A SG LEU 79.A O no hydrogen 3.239 N/A SER 83.A N LEU 79.A O no hydrogen 2.808 N/A SER 83.A OG LYS 80.A O no hydrogen 3.222 N/A VAL 86.A N CYS 82.A O no hydrogen 2.981 N/A MET 87.A N SER 83.A O no hydrogen 3.347 N/A MET 88.A N GLU 85.A O no hydrogen 3.230 N/A ARG 90.A N VAL 86.A O no hydrogen 2.864 N/A ARG 90.A NH2 TYR 22.A O no hydrogen 2.808 N/A ARG 90.A NH2 GLU 23.A O no hydrogen 3.553 N/A VAL 91.A N MET 87.A O no hydrogen 3.211 N/A VAL 91.A N MET 88.A O no hydrogen 3.234 N/A ALA 92.A N MET 88.A O no hydrogen 3.201 N/A ARG 93.A N LEU 89.A O no hydrogen 3.247 N/A ARG 93.A NE GLU 23.A OE2 no hydrogen 2.696 N/A ARG 93.A NH1 ASN 141.A OD1 no hydrogen 2.746 N/A ARG 93.A NH2 GLU 23.A OE2 no hydrogen 3.061 N/A ARG 93.A NH2 ASN 141.A OD1 no hydrogen 3.471 N/A ARG 94.A N VAL 91.A O no hydrogen 3.295 N/A TYR 95.A N ALA 92.A O no hydrogen 3.093 N/A TYR 95.A OH ASP 100.A OD1 no hydrogen 2.964 N/A ASP 96.A N SER 101.A O no hydrogen 3.175 N/A THR 99.A N ASP 96.A O no hydrogen 3.241 N/A THR 99.A N ASP 96.A OD2 no hydrogen 3.180 N/A THR 99.A OG1 ASP 96.A OD2 no hydrogen 2.340 N/A THR 99.A OG1 SER 101.A OG no hydrogen 2.827 N/A ASP 100.A N ALA 97.A O no hydrogen 3.328 N/A SER 101.A OG THR 99.A OG1 no hydrogen 2.827 N/A VAL 102.A N TYR 110.A O no hydrogen 2.921 N/A LEU 103.A N ARG 94.A O no hydrogen 2.911 N/A PHE 104.A N GLN 108.A O no hydrogen 2.802 N/A ASN 107.A N PHE 104.A O no hydrogen 2.686 N/A GLN 108.A N ASN 106.A OD1 no hydrogen 3.126 N/A TYR 110.A N VAL 102.A O no hydrogen 2.677 N/A ASN 114.A N THR 111.A O no hydrogen 2.855 N/A ASN 114.A ND2 ALA 109.A O no hydrogen 3.332 N/A TYR 115.A N THR 111.A O no hydrogen 3.201 N/A ARG 116.A N ARG 112.A O no hydrogen 3.204 N/A LYS 117.A N ASP 113.A O no hydrogen 3.241 N/A ALA 118.A N ASN 114.A O no hydrogen 3.091 N/A GLY 119.A N ARG 116.A O no hydrogen 2.346 N/A MET 120.A N TYR 115.A O no hydrogen 2.786 N/A VAL 123.A N MET 120.A O no hydrogen 3.015 N/A LEU 127.A N VAL 123.A O no hydrogen 3.210 N/A LEU 128.A N ILE 124.A O no hydrogen 2.961 N/A PHE 130.A N ASP 126.A O no hydrogen 3.088 N/A CYS 131.A N LEU 127.A O no hydrogen 3.287 N/A CYS 131.A SG VAL 91.A O no hydrogen 4.006 N/A CYS 131.A SG LEU 127.A O no hydrogen 3.181 N/A ARG 132.A N LEU 128.A O no hydrogen 3.054 N/A CYS 133.A N HIS 129.A O no hydrogen 2.982 N/A CYS 133.A SG HIS 129.A NE2 no hydrogen 3.692 N/A CYS 133.A SG HIS 129.A O no hydrogen 3.494 N/A MET 134.A N PHE 130.A O no hydrogen 2.970 N/A MET 134.A N CYS 131.A O no hydrogen 3.045 N/A TYR 135.A N CYS 131.A O no hydrogen 2.837 N/A TYR 135.A N ARG 132.A O no hydrogen 3.248 N/A SER 136.A N ARG 132.A O no hydrogen 3.326 N/A MET 138.A N TYR 135.A O no hydrogen 2.669 N/A ASP 140.A N HIS 143.A ND1 no hydrogen 2.973 N/A VAL 142.A N ASP 140.A OD1 no hydrogen 2.805 N/A HIS 143.A N ASP 140.A OD1 no hydrogen 2.882 N/A TYR 144.A N ASP 140.A O no hydrogen 3.190 N/A ALA 145.A N ASN 141.A O no hydrogen 3.105 N/A LEU 146.A N VAL 142.A O no hydrogen 2.709 N/A LEU 147.A N HIS 143.A O no hydrogen 2.655 N/A THR 148.A N TYR 144.A O no hydrogen 2.952 N/A THR 148.A OG1 TYR 144.A O no hydrogen 2.811 N/A ALA 149.A N ALA 145.A O no hydrogen 3.052 N/A ILE 150.A N LEU 146.A O no hydrogen 2.932 N/A VAL 151.A N LEU 147.A O no hydrogen 2.958 N/A ILE 152.A N THR 148.A O no hydrogen 3.154 N/A PHE 153.A N ALA 149.A O no hydrogen 3.268 N/A SER 154.A N VAL 151.A O no hydrogen 3.064 N/A SER 154.A OG ILE 150.A O no hydrogen 3.569 N/A ARG 156.A NH1 GLU 85.A OE1 no hydrogen 2.963 N/A ARG 156.A NH2 GLU 85.A OE2 no hydrogen 3.300 N/A ARG 156.A NH2 VAL 151.A O no hydrogen 3.243 N/A GLU 160.A N ASP 74.A OD1 no hydrogen 2.693 N/A GLN 161.A N ASP 74.A OD2 no hydrogen 3.280 N/A GLN 161.A NE2 GLU 160.A OE2 no hydrogen 3.362 N/A LEU 164.A N GLN 161.A O no hydrogen 2.735 N/A VAL 165.A N GLN 161.A O no hydrogen 3.423 N/A GLU 166.A N PRO 162.A O no hydrogen 3.165 N/A GLU 167.A N LEU 164.A O no hydrogen 2.766 N/A ILE 168.A N LEU 164.A O no hydrogen 3.092 N/A GLN 169.A N VAL 165.A O no hydrogen 2.744 N/A GLN 169.A NE2 ILE 150.A O no hydrogen 2.910 N/A GLN 169.A NE2 SER 154.A OG no hydrogen 3.171 N/A ARG 170.A N GLU 166.A O no hydrogen 2.855 N/A TYR 171.A N GLU 167.A O no hydrogen 2.991 N/A TYR 172.A OH PRO 65.A O no hydrogen 2.913 N/A LEU 173.A N GLN 169.A O no hydrogen 2.757 N/A ASN 174.A N ARG 170.A O no hydrogen 2.821 N/A THR 175.A N TYR 171.A O no hydrogen 2.714 N/A THR 175.A OG1 TYR 171.A O no hydrogen 3.277 N/A LEU 176.A N TYR 172.A O no hydrogen 3.032 N/A ARG 177.A N LEU 173.A O no hydrogen 3.222 N/A VAL 178.A N ASN 174.A O no hydrogen 3.067 N/A TYR 179.A N THR 175.A O no hydrogen 2.952 N/A TYR 179.A OH ASP 140.A OD2 no hydrogen 2.779 N/A ILE 180.A N LEU 176.A O no hydrogen 3.191 N/A ILE 180.A N ARG 177.A O no hydrogen 3.189 N/A LEU 181.A N ARG 177.A O no hydrogen 2.999 N/A ASN 182.A ND2 PRO 2.A O no hydrogen 2.734 N/A GLN 183.A N TYR 179.A O no hydrogen 3.188 N/A SER 187.A N SER 185.A O no hydrogen 2.080 N/A CYS 190.A N SER 187.A O no hydrogen 3.066 N/A CYS 190.A SG ILE 180.A O no hydrogen 3.460 N/A CYS 190.A SG SER 185.A O no hydrogen 3.959 N/A ALA 191.A N PRO 188.A O no hydrogen 2.913 N/A ILE 193.A N ARG 189.A O no hydrogen 3.019 N/A PHE 194.A N CYS 190.A O no hydrogen 3.366 N/A GLY 195.A N ALA 191.A O no hydrogen 2.729 N/A LYS 196.A N VAL 192.A O no hydrogen 3.176 N/A ILE 197.A N ILE 193.A O no hydrogen 3.155 N/A LEU 198.A N PHE 194.A O no hydrogen 3.089 N/A GLY 199.A N GLY 195.A O no hydrogen 2.812 N/A GLY 199.A N LYS 196.A O no hydrogen 3.187 N/A ILE 200.A N ILE 197.A O no hydrogen 2.807 N/A LEU 201.A N LEU 198.A O no hydrogen 3.105 N/A GLU 203.A N GLY 199.A O no hydrogen 3.448 N/A ILE 204.A N ILE 200.A O no hydrogen 2.982 N/A ARG 205.A N LEU 201.A O no hydrogen 3.267 N/A ARG 205.A N THR 202.A O no hydrogen 3.103 N/A LEU 207.A N GLU 203.A O no hydrogen 3.141 N/A GLY 208.A N ARG 205.A O no hydrogen 3.215 N/A MET 209.A N ARG 205.A O no hydrogen 3.291 N/A GLN 210.A N THR 206.A O no hydrogen 3.281 N/A ASN 211.A N LEU 207.A O no hydrogen 3.242 N/A SER 212.A N GLY 208.A O no hydrogen 3.197 N/A ASN 213.A N MET 209.A O no hydrogen 2.868 N/A ASN 213.A ND2 TYR 122.A OH no hydrogen 3.552 N/A MET 214.A N GLN 210.A O no hydrogen 2.917 N/A CYS 215.A N ASN 211.A O no hydrogen 2.901 N/A CYS 215.A SG ASN 211.A O no hydrogen 3.332 N/A ILE 216.A N SER 212.A O no hydrogen 2.764 N/A SER 217.A N ASN 213.A O no hydrogen 2.611 N/A SER 217.A OG ASN 213.A O no hydrogen 3.091 N/A SER 217.A OG MET 214.A O no hydrogen 3.339 N/A LEU 218.A N CYS 215.A O no hydrogen 3.174 N/A LYS 219.A N CYS 215.A O no hydrogen 2.936 N/A LYS 219.A NZ GLU 230.A OE1 no hydrogen 2.684 N/A LYS 219.A NZ VAL 235.A O no hydrogen 3.311 N/A LYS 219.A NZ ALA 236.A O no hydrogen 2.724 N/A LEU 220.A N ILE 216.A O no hydrogen 2.958 N/A LYS 221.A NZ GLY 119.A O no hydrogen 3.444 N/A ASN 222.A N LYS 219.A O no hydrogen 2.694 N/A GLU 230.A N PRO 226.A O no hydrogen 2.903 N/A GLU 231.A N PRO 227.A O no hydrogen 2.788 N/A ILE 232.A N PHE 228.A O no hydrogen 3.066 N/A TRP 233.A N LEU 229.A O no hydrogen 2.948 N/A TRP 233.A NE1 SER 83.A OG no hydrogen 2.569 N/A ASP 234.A N GLU 231.A O no hydrogen 3.092 N/A VAL 235.A N GLU 230.A O no hydrogen 3.016 N/A