Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3une_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 4.A OG no hydrogen 3.005 N/A GLY 3.A N GLU 18.A OE2 no hydrogen 2.677 N/A SER 4.A N GLU 18.A OE2 no hydrogen 2.994 N/A SER 4.A OG SER 1.A OG no hydrogen 3.005 N/A SER 4.A OG GLU 18.A OE2 no hydrogen 3.361 N/A SER 5.A OG ASP 9.A OD1 no hydrogen 3.299 N/A SER 5.A OG ASP 9.A OD2 no hydrogen 2.685 N/A ALA 6.A N ASP 9.A OD2 no hydrogen 2.934 N/A HIS 11.A N PHE 8.A O no hydrogen 3.341 N/A ILE 12.A N PHE 8.A O no hydrogen 3.177 N/A THR 13.A OG1 THR 125.A O no hydrogen 3.536 N/A THR 13.A OG1 ASN 127.A O no hydrogen 2.721 N/A ILE 14.A N ILE 12.A O no hydrogen 2.834 N/A SER 16.A N ARG 20.A O no hydrogen 3.119 N/A SER 16.A OG ARG 20.A O no hydrogen 2.893 N/A GLY 19.A N SER 16.A O no hydrogen 2.805 N/A ARG 20.A N SER 16.A OG no hydrogen 2.907 N/A ARG 20.A NH1 TYR 22.A OH no hydrogen 3.058 N/A ARG 20.A NH2 GLU 25.A OE1 no hydrogen 2.825 N/A TYR 22.A OH SER 4.A O no hydrogen 3.397 N/A GLN 23.A NE2 ARG 10.A O no hydrogen 2.803 N/A GLU 25.A N LEU 21.A O no hydrogen 3.122 N/A TYR 26.A N TYR 22.A O no hydrogen 2.853 N/A ALA 27.A N VAL 24.A O no hydrogen 3.247 N/A LYS 29.A N TYR 26.A O no hydrogen 3.223 N/A ALA 30.A N TYR 26.A O no hydrogen 3.252 N/A GLN 33.A N ALA 30.A O no hydrogen 3.454 N/A THR 37.A N GLN 52.A OE1 no hydrogen 3.217 N/A THR 37.A OG1 GLN 52.A OE1 no hydrogen 3.544 N/A SER 38.A N ALA 167.A O no hydrogen 2.756 N/A SER 38.A OG THR 51.A OG1 no hydrogen 3.364 N/A SER 38.A OG THR 80.A OG1 no hydrogen 2.726 N/A VAL 39.A N VAL 50.A O no hydrogen 2.887 N/A ALA 40.A N THR 165.A O no hydrogen 2.804 N/A VAL 41.A N VAL 48.A O no hydrogen 3.170 N/A ARG 42.A N LYS 163.A O no hydrogen 2.860 N/A GLY 43.A N CYS 46.A O no hydrogen 2.771 N/A LYS 44.A N TRP 188.A O no hydrogen 3.402 N/A CYS 46.A SG PHE 190.A O no hydrogen 4.033 N/A ALA 47.A N VAL 219.A O no hydrogen 3.146 N/A VAL 48.A N VAL 41.A O no hydrogen 2.961 N/A ILE 49.A N GLY 217.A O no hydrogen 3.015 N/A VAL 50.A N VAL 39.A O no hydrogen 3.037 N/A THR 51.A N GLU 215.A O no hydrogen 3.348 N/A THR 51.A OG1 SER 38.A OG no hydrogen 3.364 N/A LYS 53.A N GLU 213.A O no hydrogen 2.717 N/A LYS 54.A NZ GLY 35.A O no hydrogen 3.244 N/A LEU 60.A N ASP 57.A O no hydrogen 3.439 N/A SER 63.A N ASP 61.A OD2 no hydrogen 3.328 N/A SER 63.A OG ASP 61.A OD2 no hydrogen 2.697 N/A THR 64.A OG1 ASP 61.A O no hydrogen 2.729 N/A THR 66.A OG1 LEU 68.A O no hydrogen 3.483 N/A THR 66.A OG1 GLU 215.A OE2 no hydrogen 2.684 N/A HIS 67.A N GLU 215.A OE1 no hydrogen 3.026 N/A HIS 67.A ND1 MET 79.A O no hydrogen 2.939 N/A LEU 68.A N THR 66.A OG1 no hydrogen 3.124 N/A PHE 69.A N CYS 77.A O no hydrogen 2.959 N/A ILE 71.A N ILE 75.A O no hydrogen 3.167 N/A THR 72.A N ILE 75.A O no hydrogen 3.011 N/A GLY 76.A N ILE 140.A O no hydrogen 3.102 N/A CYS 77.A N PHE 69.A O no hydrogen 2.992 N/A VAL 78.A N ILE 138.A O no hydrogen 3.165 N/A MET 79.A N HIS 67.A O no hydrogen 3.069 N/A THR 80.A N CYS 136.A O no hydrogen 3.050 N/A THR 80.A OG1 SER 38.A OG no hydrogen 2.726 N/A MET 82.A N GLY 134.A O no hydrogen 2.982 N/A SER 86.A N MET 82.A O no hydrogen 2.768 N/A SER 86.A OG MET 82.A O no hydrogen 2.750 N/A ARG 87.A N THR 83.A O no hydrogen 3.200 N/A ARG 87.A NH1 THR 83.A O no hydrogen 3.514 N/A GLN 89.A N ASP 85.A O no hydrogen 3.303 N/A VAL 90.A N SER 86.A O no hydrogen 3.230 N/A GLN 91.A N ARG 87.A O no hydrogen 3.034 N/A ARG 92.A N SER 88.A O no hydrogen 3.319 N/A ARG 92.A NE GLU 96.A OE2 no hydrogen 3.491 N/A ALA 93.A N GLN 89.A O no hydrogen 3.005 N/A ARG 94.A N VAL 90.A O no hydrogen 2.856 N/A ARG 94.A NE LYS 70.A O no hydrogen 2.767 N/A ARG 94.A NH2 LYS 70.A O no hydrogen 3.094 N/A TYR 95.A N GLN 91.A O no hydrogen 3.268 N/A GLU 96.A N ARG 92.A O no hydrogen 3.007 N/A ALA 97.A N ALA 93.A O no hydrogen 3.052 N/A ALA 98.A N ARG 94.A O no hydrogen 3.280 N/A ASN 99.A N TYR 95.A O no hydrogen 3.013 N/A TRP 100.A N GLU 96.A O no hydrogen 3.212 N/A TYR 102.A N ALA 98.A O no hydrogen 3.185 N/A LYS 103.A N ASN 99.A O no hydrogen 3.055 N/A TYR 104.A N TRP 100.A O no hydrogen 2.932 N/A LEU 113.A N PRO 109.A O no hydrogen 3.139 N/A CYS 114.A N VAL 110.A O no hydrogen 3.300 N/A LYS 115.A N ASP 111.A O no hydrogen 3.398 N/A ARG 116.A N MET 112.A O no hydrogen 3.098 N/A ILE 117.A N LEU 113.A O no hydrogen 3.273 N/A ALA 118.A N CYS 114.A O no hydrogen 3.125 N/A ASP 119.A N LYS 115.A O no hydrogen 3.092 N/A ILE 120.A N ARG 116.A O no hydrogen 3.187 N/A SER 121.A N ILE 117.A O no hydrogen 3.042 N/A SER 121.A OG ILE 117.A O no hydrogen 2.974 N/A SER 121.A OG ALA 118.A O no hydrogen 3.016 N/A VAL 123.A N ILE 120.A O no hydrogen 3.244 N/A THR 125.A N GLN 122.A O no hydrogen 2.993 N/A THR 125.A OG1 SER 121.A O no hydrogen 3.071 N/A THR 125.A OG1 ALA 156.A O no hydrogen 3.400 N/A GLN 126.A N GLN 122.A O no hydrogen 3.198 N/A ASN 127.A N VAL 123.A O no hydrogen 3.009 N/A ASN 127.A ND2 GLU 129.A OE1 no hydrogen 2.989 N/A ARG 131.A NH2 ASP 85.A OD1 no hydrogen 3.480 N/A CYS 135.A SG ASP 85.A O no hydrogen 3.443 N/A CYS 136.A N THR 80.A O no hydrogen 2.830 N/A CYS 136.A SG CYS 153.A O no hydrogen 3.505 N/A ILE 138.A N VAL 78.A O no hydrogen 3.147 N/A LEU 139.A N TYR 151.A O no hydrogen 2.738 N/A ILE 140.A N GLY 76.A O no hydrogen 2.782 N/A GLY 141.A N GLN 149.A O no hydrogen 3.285 N/A ASP 143.A N GLY 147.A O no hydrogen 2.724 N/A GLU 145.A N ASP 143.A OD2 no hydrogen 3.075 N/A GLY 147.A N ASP 143.A O no hydrogen 2.944 N/A GLN 149.A N GLY 141.A O no hydrogen 2.826 N/A TYR 151.A N LEU 139.A O no hydrogen 2.932 N/A TYR 151.A OH ASP 111.A OD1 no hydrogen 2.943 N/A TYR 151.A OH GLN 149.A OE1 no hydrogen 3.335 N/A LYS 152.A N CYS 160.A O no hydrogen 3.339 N/A LYS 152.A NZ ASP 154.A OD1 no hydrogen 2.796 N/A CYS 153.A N MET 137.A O no hydrogen 3.147 N/A CYS 153.A SG MET 137.A O no hydrogen 3.796 N/A ASP 154.A N TYR 158.A O no hydrogen 2.861 N/A GLY 157.A N ASP 154.A O no hydrogen 3.097 N/A CYS 160.A N LYS 152.A O no hydrogen 3.435 N/A CYS 160.A SG GLY 161.A O no hydrogen 3.354 N/A PHE 162.A N VAL 150.A O no hydrogen 2.784 N/A THR 165.A N ALA 40.A O no hydrogen 2.729 N/A ALA 167.A N SER 38.A O no hydrogen 2.934 N/A GLN 171.A NE2 ALA 166.A O no hydrogen 2.814 N/A SER 174.A N LYS 170.A O no hydrogen 3.405 N/A SER 174.A OG LYS 170.A O no hydrogen 2.569 N/A SER 174.A OG GLN 171.A O no hydrogen 3.058 N/A THR 175.A N GLN 171.A O no hydrogen 3.040 N/A THR 175.A OG1 GLN 171.A O no hydrogen 2.983 N/A THR 175.A OG1 THR 172.A O no hydrogen 3.097 N/A SER 176.A OG THR 172.A O no hydrogen 3.346 N/A PHE 177.A N SER 174.A O no hydrogen 3.116 N/A LEU 178.A N SER 174.A O no hydrogen 3.197 N/A GLU 179.A N THR 175.A O no hydrogen 3.368 N/A VAL 182.A N LEU 178.A O no hydrogen 3.021 N/A LYS 183.A N GLU 179.A O no hydrogen 3.100 N/A THR 193.A N THR 189.A O no hydrogen 3.052 N/A THR 193.A OG1 THR 189.A O no hydrogen 2.593 N/A VAL 194.A N PHE 190.A O no hydrogen 3.378 N/A GLU 195.A N GLU 191.A O no hydrogen 3.258 N/A THR 196.A N GLN 192.A O no hydrogen 3.246 N/A THR 196.A OG1 GLN 192.A O no hydrogen 2.574 N/A ALA 197.A N THR 193.A O no hydrogen 3.301 N/A ILE 198.A N VAL 194.A O no hydrogen 3.092 N/A THR 199.A N GLU 195.A O no hydrogen 3.147 N/A THR 199.A OG1 GLU 195.A O no hydrogen 2.707 N/A THR 199.A OG1 THR 196.A O no hydrogen 3.103 N/A CYS 200.A N THR 196.A O no hydrogen 3.305 N/A CYS 200.A SG SER 174.A O no hydrogen 3.836 N/A SER 202.A N THR 199.A O no hydrogen 3.159 N/A THR 203.A N THR 199.A O no hydrogen 2.834 N/A THR 203.A OG1 THR 199.A O no hydrogen 2.736 N/A THR 203.A OG1 CYS 200.A O no hydrogen 3.534 N/A VAL 204.A N CYS 200.A O no hydrogen 3.499 N/A SER 206.A OG LEU 205.A O no hydrogen 2.706 N/A GLU 213.A N LYS 210.A O no hydrogen 3.092 N/A GLU 215.A N THR 51.A O no hydrogen 3.126 N/A GLY 217.A N ILE 49.A O no hydrogen 3.108 N/A VAL 218.A N ARG 227.A O no hydrogen 3.228 N/A VAL 219.A N ALA 47.A O no hydrogen 3.178 N/A THR 220.A N ASN 223.A O no hydrogen 3.268 N/A VAL 221.A N ASP 45.A O no hydrogen 3.062 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.803 N/A PHE 226.A N GLU 73.A O no hydrogen 2.869 N/A ARG 227.A NH2 GLU 233.A OE1 no hydrogen 3.535 N/A LEU 229.A N VAL 216.A O no hydrogen 3.048 N/A THR 230.A OG1 LEU 229.A O no hydrogen 2.507 N/A GLU 233.A N THR 230.A O no hydrogen 3.137 N/A ILE 234.A N THR 230.A O no hydrogen 3.043 N/A HIS 237.A N ILE 234.A O no hydrogen 3.266 N/A LEU 238.A N ILE 234.A O no hydrogen 3.180 N/A VAL 239.A N ASP 235.A O no hydrogen 3.062 N/A LEU 241.A N LEU 238.A O no hydrogen 3.345 N/A