Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3prg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 6.A N TYR 4.A O no hydrogen 3.195 N/A ASN 6.A N SER 9.A OG no hydrogen 2.954 N/A SER 9.A OG TYR 4.A O no hydrogen 3.357 N/A SER 9.A OG ASN 6.A O no hydrogen 2.919 N/A ALA 10.A N ASN 6.A O no hydrogen 2.987 N/A ASP 11.A N PRO 7.A O no hydrogen 3.311 N/A LEU 12.A N GLU 8.A O no hydrogen 3.252 N/A ARG 13.A N SER 9.A O no hydrogen 3.229 N/A ARG 13.A N ALA 10.A O no hydrogen 3.243 N/A ARG 13.A NH2 GLN 210.A OE1 no hydrogen 2.642 N/A ALA 14.A N ALA 10.A O no hydrogen 2.983 N/A LEU 15.A N ASP 11.A O no hydrogen 2.633 N/A ALA 16.A N LEU 12.A O no hydrogen 3.269 N/A LYS 17.A N ARG 13.A O no hydrogen 3.326 N/A HIS 18.A N ALA 14.A O no hydrogen 2.996 N/A HIS 18.A NE2 SER 92.A O no hydrogen 2.849 N/A LEU 19.A N LEU 15.A O no hydrogen 2.973 N/A TYR 20.A N ALA 16.A O no hydrogen 3.063 N/A ASP 21.A N LYS 17.A O no hydrogen 2.871 N/A SER 22.A N HIS 18.A O no hydrogen 3.026 N/A SER 22.A OG HIS 18.A O no hydrogen 2.729 N/A TYR 23.A N LEU 19.A O no hydrogen 2.964 N/A TYR 23.A OH ASP 171.A OD1 no hydrogen 2.530 N/A ILE 24.A N TYR 20.A O no hydrogen 3.016 N/A LYS 25.A N ASP 21.A O no hydrogen 3.110 N/A SER 26.A N TYR 23.A O no hydrogen 3.000 N/A SER 26.A OG SER 22.A O no hydrogen 2.700 N/A PHE 27.A N TYR 23.A O no hydrogen 3.002 N/A LYS 31.A N ASP 171.A OD1 no hydrogen 2.804 N/A LYS 31.A NZ LEU 169.A O no hydrogen 2.813 N/A ALA 32.A N ASP 171.A OD2 no hydrogen 2.897 N/A LYS 33.A N THR 30.A OG1 no hydrogen 3.418 N/A LYS 33.A NZ PRO 28.A O no hydrogen 3.497 N/A ALA 34.A N THR 30.A O no hydrogen 2.953 N/A ARG 35.A N LYS 31.A O no hydrogen 2.864 N/A ARG 35.A NE SER 122.A O no hydrogen 3.246 N/A ARG 35.A NH2 ALA 121.A O no hydrogen 2.890 N/A ARG 35.A NH2 SER 122.A O no hydrogen 3.306 N/A ARG 35.A NH2 MET 124.A O no hydrogen 2.439 N/A ALA 36.A N ALA 32.A O no hydrogen 3.202 N/A ILE 37.A N LYS 33.A O no hydrogen 3.107 N/A LEU 38.A N ALA 34.A O no hydrogen 3.106 N/A THR 39.A N ARG 35.A O no hydrogen 2.993 N/A THR 39.A N ALA 36.A O no hydrogen 3.102 N/A THR 39.A OG1 ARG 35.A O no hydrogen 2.680 N/A GLY 40.A N ILE 37.A O no hydrogen 3.125 N/A LYS 41.A N ALA 36.A O no hydrogen 3.117 N/A THR 42.A OG1 LYS 45.A O no hydrogen 2.827 N/A LYS 45.A NZ GLU 133.A O no hydrogen 3.160 N/A SER 46.A OG SER 46.A O no hydrogen 2.636 N/A PHE 48.A N GLN 135.A O no hydrogen 2.930 N/A ILE 50.A N PHE 137.A O no hydrogen 2.815 N/A TYR 51.A N SER 55.A OG no hydrogen 2.908 N/A ASP 52.A N SER 55.A OG no hydrogen 2.843 N/A SER 55.A N ASP 52.A OD1 no hydrogen 2.794 N/A SER 55.A OG ASP 52.A O no hydrogen 2.792 N/A SER 55.A OG ASP 52.A OD1 no hydrogen 2.478 N/A LEU 56.A N ASP 52.A O no hydrogen 2.882 N/A MET 57.A N MET 53.A O no hydrogen 3.017 N/A MET 58.A N ASN 54.A O no hydrogen 3.070 N/A GLY 59.A N LEU 56.A O no hydrogen 3.106 N/A GLU 60.A N LEU 56.A O no hydrogen 3.204 N/A GLU 60.A N MET 57.A O no hydrogen 3.107 N/A LYS 62.A N GLY 59.A O no hydrogen 3.183 N/A SER 64.A OG ASP 252.A O no hydrogen 3.141 N/A ARG 70.A N GLU 66.A O no hydrogen 2.648 N/A ARG 70.A NE LYS 65.A O no hydrogen 3.580 N/A ARG 70.A NH1 GLU 60.A OE2 no hydrogen 2.777 N/A ARG 70.A NH2 LYS 65.A O no hydrogen 3.539 N/A ILE 71.A N VAL 67.A O no hydrogen 2.779 N/A PHE 72.A N ALA 68.A O no hydrogen 3.275 N/A GLN 73.A N ILE 69.A O no hydrogen 2.910 N/A GLN 73.A NE2 SER 254.A O no hydrogen 3.494 N/A GLY 74.A N ARG 70.A O no hydrogen 3.249 N/A CYS 75.A N ILE 71.A O no hydrogen 3.387 N/A CYS 75.A SG ILE 71.A O no hydrogen 3.603 N/A GLN 76.A N PHE 72.A O no hydrogen 3.411 N/A GLN 76.A NE2 SER 254.A O no hydrogen 3.036 N/A PHE 77.A N GLN 73.A O no hydrogen 3.207 N/A ARG 78.A N GLY 74.A O no hydrogen 3.013 N/A ARG 78.A NH1 ARG 78.A O no hydrogen 3.512 N/A ARG 78.A NH1 GLU 85.A OE1 no hydrogen 2.709 N/A ARG 78.A NH2 GLU 85.A OE1 no hydrogen 3.257 N/A ARG 78.A NH2 GLU 85.A OE2 no hydrogen 3.423 N/A SER 79.A N CYS 75.A O no hydrogen 2.814 N/A SER 79.A OG CYS 75.A O no hydrogen 2.866 N/A VAL 80.A N GLN 76.A O no hydrogen 3.221 N/A GLU 81.A N PHE 77.A O no hydrogen 3.194 N/A ALA 82.A N ARG 78.A O no hydrogen 2.734 N/A VAL 83.A N SER 79.A O no hydrogen 2.830 N/A GLN 84.A N VAL 80.A O no hydrogen 3.026 N/A GLU 85.A N GLU 81.A O no hydrogen 3.235 N/A ILE 86.A N ALA 82.A O no hydrogen 2.984 N/A THR 87.A N VAL 83.A O no hydrogen 2.875 N/A THR 87.A OG1 VAL 83.A O no hydrogen 2.758 N/A GLU 88.A N GLN 84.A O no hydrogen 3.004 N/A TYR 89.A N GLU 85.A O no hydrogen 2.960 N/A TYR 89.A OH ALA 175.A O no hydrogen 2.596 N/A ALA 90.A N ILE 86.A O no hydrogen 2.627 N/A LYS 91.A N THR 87.A O no hydrogen 3.023 N/A SER 92.A N TYR 89.A O no hydrogen 2.931 N/A SER 92.A OG TYR 89.A O no hydrogen 2.592 N/A ILE 93.A N ALA 90.A O no hydrogen 2.788 N/A PHE 96.A N ILE 93.A O no hydrogen 3.081 N/A ASN 98.A N GLY 95.A O no hydrogen 2.795 N/A LEU 99.A N PHE 96.A O no hydrogen 3.180 N/A ASN 102.A N ASP 100.A OD1 no hydrogen 2.783 N/A ASN 102.A ND2 GLY 189.A O no hydrogen 3.640 N/A ASP 103.A N ASP 100.A O no hydrogen 2.700 N/A GLN 104.A N ASP 100.A O no hydrogen 3.175 N/A GLN 104.A NE2 VAL 97.A O no hydrogen 3.077 N/A GLN 104.A NE2 LEU 99.A O no hydrogen 2.707 N/A VAL 105.A N LEU 101.A O no hydrogen 3.197 N/A THR 106.A N ASN 102.A O no hydrogen 3.075 N/A THR 106.A OG1 ASN 102.A O no hydrogen 2.971 N/A LEU 107.A N ASP 103.A O no hydrogen 2.746 N/A LEU 108.A N GLN 104.A O no hydrogen 3.155 N/A LYS 109.A N VAL 105.A O no hydrogen 2.726 N/A LYS 109.A NZ ASP 265.A OD2 no hydrogen 2.534 N/A TYR 110.A N THR 106.A O no hydrogen 3.114 N/A TYR 110.A N LEU 107.A O no hydrogen 3.256 N/A GLY 111.A N LEU 107.A O no hydrogen 2.976 N/A VAL 112.A N LEU 108.A O no hydrogen 2.835 N/A HIS 113.A NE2 TYR 263.A OH no hydrogen 3.287 N/A ILE 115.A N GLY 111.A O no hydrogen 3.115 N/A ILE 116.A N VAL 112.A O no hydrogen 2.867 N/A TYR 117.A N HIS 113.A O no hydrogen 3.176 N/A THR 118.A N ILE 115.A O no hydrogen 3.144 N/A THR 118.A OG1 GLU 114.A O no hydrogen 2.812 N/A MET 119.A N ILE 115.A O no hydrogen 3.057 N/A LEU 120.A N ILE 116.A O no hydrogen 3.097 N/A SER 122.A N MET 119.A O no hydrogen 3.285 N/A SER 122.A OG MET 119.A O no hydrogen 3.465 N/A LEU 123.A N LEU 120.A O no hydrogen 2.906 N/A MET 124.A N ALA 121.A O no hydrogen 3.134 N/A ASN 125.A N GLY 128.A O no hydrogen 3.068 N/A ASP 127.A N ASN 125.A OD1 no hydrogen 2.842 N/A GLY 128.A N ASN 125.A O no hydrogen 3.292 N/A GLY 128.A N ASN 125.A OD1 no hydrogen 2.727 N/A VAL 129.A N MET 138.A O no hydrogen 2.928 N/A LEU 130.A N LEU 123.A O no hydrogen 3.077 N/A ILE 131.A N GLY 136.A O no hydrogen 2.779 N/A GLY 134.A N ILE 131.A O no hydrogen 3.223 N/A GLN 135.A N ILE 131.A O no hydrogen 3.198 N/A GLN 135.A N SER 132.A O no hydrogen 3.184 N/A GLN 135.A NE2 SER 132.A O no hydrogen 3.222 N/A GLY 136.A N ILE 131.A O no hydrogen 3.031 N/A PHE 137.A N PHE 48.A O no hydrogen 3.065 N/A MET 138.A N VAL 129.A O no hydrogen 2.646 N/A THR 139.A N ILE 50.A O no hydrogen 3.034 N/A ARG 140.A N ASP 127.A O no hydrogen 2.886 N/A ARG 140.A NE LYS 126.A O no hydrogen 3.508 N/A LEU 143.A N THR 139.A O no hydrogen 3.260 N/A LYS 144.A N ARG 140.A O no hydrogen 3.299 N/A LYS 144.A NZ GLU 141.A OE2 no hydrogen 3.086 N/A SER 145.A N GLU 141.A O no hydrogen 3.249 N/A SER 145.A OG PHE 142.A O no hydrogen 2.593 N/A ARG 147.A NH1 GLU 66.A OE2 no hydrogen 3.539 N/A ARG 147.A NH1 GLU 250.A OE2 no hydrogen 2.603 N/A ARG 147.A NH2 GLU 250.A OE2 no hydrogen 3.100 N/A LYS 157.A NZ PHE 153.A O no hydrogen 2.738 N/A LYS 157.A NZ HIS 239.A ND1 no hydrogen 2.713 N/A PHE 158.A N MET 154.A O no hydrogen 3.133 N/A GLU 159.A N GLU 155.A O no hydrogen 3.078 N/A PHE 160.A N PRO 156.A O no hydrogen 3.117 N/A ALA 161.A N LYS 157.A O no hydrogen 2.848 N/A VAL 162.A N PHE 158.A O no hydrogen 3.104 N/A LYS 163.A N GLU 159.A O no hydrogen 3.426 N/A LYS 163.A NZ GLU 159.A O no hydrogen 3.253 N/A PHE 164.A N PHE 160.A O no hydrogen 2.768 N/A ASN 165.A N ALA 161.A O no hydrogen 2.601 N/A ASN 165.A ND2 ALA 121.A O no hydrogen 3.089 N/A ALA 166.A N VAL 162.A O no hydrogen 3.286 N/A ALA 166.A N LYS 163.A O no hydrogen 3.304 N/A LEU 167.A N PHE 164.A O no hydrogen 2.953 N/A GLU 168.A N ASN 165.A O no hydrogen 2.946 N/A ASP 170.A N ASP 173.A OD2 no hydrogen 2.795 N/A SER 172.A OG ASP 170.A OD2 no hydrogen 2.981 N/A ASP 173.A N ASP 170.A OD1 no hydrogen 3.019 N/A LEU 174.A N ASP 170.A O no hydrogen 3.077 N/A ALA 175.A N ASP 171.A O no hydrogen 3.034 N/A PHE 177.A N ASP 173.A O no hydrogen 2.939 N/A ILE 178.A N LEU 174.A O no hydrogen 2.819 N/A VAL 180.A N ILE 176.A O no hydrogen 3.025 N/A ILE 181.A N PHE 177.A O no hydrogen 3.075 N/A ILE 182.A N ILE 178.A O no hydrogen 3.168 N/A LEU 183.A N ALA 179.A O no hydrogen 3.347 N/A SER 184.A N ILE 182.A O no hydrogen 2.968 N/A SER 184.A OG ILE 181.A O no hydrogen 2.645 N/A LEU 191.A N ASP 103.A OD1 no hydrogen 2.732 N/A LEU 191.A N ASP 103.A OD2 no hydrogen 3.346 N/A ILE 196.A N VAL 193.A O no hydrogen 2.964 N/A GLU 197.A N VAL 193.A O no hydrogen 3.132 N/A ASP 198.A N LYS 194.A O no hydrogen 2.896 N/A ILE 199.A N PRO 195.A O no hydrogen 3.285 N/A GLN 200.A N ILE 196.A O no hydrogen 3.000 N/A GLN 200.A NE2 VAL 180.A O no hydrogen 3.125 N/A ASP 201.A N GLU 197.A O no hydrogen 2.707 N/A ASN 202.A N ASP 198.A O no hydrogen 3.325 N/A LEU 203.A N ILE 199.A O no hydrogen 2.986 N/A LEU 204.A N GLN 200.A O no hydrogen 2.725 N/A GLN 205.A N ASP 201.A O no hydrogen 3.025 N/A GLN 205.A NE2 ASP 201.A OD2 no hydrogen 3.055 N/A ALA 206.A N ASN 202.A O no hydrogen 3.138 N/A LEU 207.A N LEU 203.A O no hydrogen 2.944 N/A GLU 208.A N LEU 204.A O no hydrogen 3.105 N/A LEU 209.A N GLN 205.A O no hydrogen 3.047 N/A GLN 210.A N ALA 206.A O no hydrogen 2.990 N/A LEU 211.A N LEU 207.A O no hydrogen 3.024 N/A LYS 212.A N GLU 208.A O no hydrogen 3.131 N/A LYS 212.A N LEU 209.A O no hydrogen 3.229 N/A LYS 212.A NZ HIS 3.A NE2 no hydrogen 2.576 N/A LEU 213.A N LEU 209.A O no hydrogen 3.174 N/A ASN 214.A N GLN 210.A O no hydrogen 2.848 N/A ASN 214.A ND2 ASP 170.A OD2 no hydrogen 3.404 N/A ASN 214.A ND2 ASP 173.A OD1 no hydrogen 3.077 N/A ASN 214.A ND2 ASP 173.A OD2 no hydrogen 3.415 N/A ASN 214.A ND2 HIS 215.A NE2 no hydrogen 3.454 N/A HIS 215.A N LEU 211.A O no hydrogen 2.974 N/A HIS 215.A NE2 ASP 173.A OD2 no hydrogen 2.793 N/A SER 218.A OG HIS 215.A O no hydrogen 3.223 N/A GLN 220.A NE2 SER 219.A O no hydrogen 3.472 N/A ALA 223.A N GLN 220.A OE1 no hydrogen 2.638 N/A LYS 224.A N GLN 220.A O no hydrogen 3.474 N/A LEU 225.A N LEU 221.A O no hydrogen 2.658 N/A LEU 226.A N PHE 222.A O no hydrogen 3.037 N/A GLN 227.A N ALA 223.A O no hydrogen 3.288 N/A LYS 228.A N LYS 224.A O no hydrogen 2.992 N/A MET 229.A N LEU 225.A O no hydrogen 3.019 N/A THR 230.A N GLN 227.A O no hydrogen 2.770 N/A ASP 231.A N GLN 227.A O no hydrogen 3.223 N/A GLN 234.A N THR 230.A O no hydrogen 3.278 N/A ILE 235.A N ASP 231.A O no hydrogen 3.259 N/A VAL 236.A N LEU 232.A O no hydrogen 3.079 N/A THR 237.A N ARG 233.A O no hydrogen 3.151 N/A THR 237.A OG1 ARG 233.A O no hydrogen 2.863 N/A GLU 238.A N GLN 234.A O no hydrogen 2.955 N/A HIS 239.A N ILE 235.A O no hydrogen 2.875 N/A VAL 240.A N VAL 236.A O no hydrogen 2.855 N/A GLN 241.A N THR 237.A O no hydrogen 3.009 N/A LEU 242.A N GLU 238.A O no hydrogen 3.172 N/A LEU 243.A N HIS 239.A O no hydrogen 2.922 N/A GLN 244.A N VAL 240.A O no hydrogen 3.055 N/A GLN 244.A N GLN 241.A O no hydrogen 2.681 N/A VAL 245.A N GLN 241.A O no hydrogen 3.210 N/A ILE 246.A N LEU 242.A O no hydrogen 3.372 N/A LYS 248.A N GLN 244.A O no hydrogen 3.199 N/A THR 249.A OG1 VAL 245.A O no hydrogen 2.563 N/A THR 249.A OG1 LYS 248.A O no hydrogen 2.788 N/A GLU 250.A N ILE 246.A O no hydrogen 3.072 N/A LEU 258.A N HIS 256.A ND1 no hydrogen 3.064 N/A GLN 260.A N HIS 256.A O no hydrogen 3.043 N/A GLU 261.A N PRO 257.A O no hydrogen 3.188 N/A ILE 262.A N LEU 259.A O no hydrogen 3.052 N/A TYR 263.A N LEU 259.A O no hydrogen 2.975 N/A TYR 263.A OH HIS 113.A NE2 no hydrogen 3.287 N/A LYS 264.A N GLN 260.A O no hydrogen 3.071 N/A ASP 265.A N ILE 262.A O no hydrogen 3.079 N/A LEU 266.A N TYR 263.A O no hydrogen 3.125 N/A