Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u51_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N VAL 68.A O no hydrogen 3.019 N/A ARG 4.A NH1 GLU 71.A O no hydrogen 3.273 N/A ARG 4.A NH1 PRO 73.A O no hydrogen 2.663 N/A ARG 4.A NH2 GLU 71.A O no hydrogen 3.061 N/A SER 6.A N PRO 3.A O no hydrogen 2.961 N/A SER 6.A OG PRO 3.A O no hydrogen 2.688 N/A LEU 7.A N ARG 4.A O no hydrogen 3.116 N/A ARG 8.A N THR 25.A O no hydrogen 3.052 N/A GLU 10.A N MET 23.A O no hydrogen 2.877 N/A LYS 12.A NZ GLN 15.A OE1 no hydrogen 3.127 N/A LYS 12.A NZ GLU 20.A OE2 no hydrogen 3.180 N/A LEU 13.A N VAL 21.A O no hydrogen 2.713 N/A GLY 16.A N GLY 19.A O no hydrogen 2.781 N/A GLY 19.A N GLY 16.A O no hydrogen 3.428 N/A GLU 20.A N THR 36.A O no hydrogen 2.899 N/A GLU 20.A N THR 36.A OG1 no hydrogen 3.096 N/A VAL 21.A N GLY 14.A O no hydrogen 3.002 N/A TRP 22.A N ILE 34.A O no hydrogen 2.831 N/A MET 23.A N VAL 11.A O no hydrogen 2.797 N/A GLY 24.A N VAL 32.A O no hydrogen 3.076 N/A THR 25.A N ARG 8.A O no hydrogen 2.966 N/A THR 25.A OG1 GLU 10.A OE2 no hydrogen 2.669 N/A TRP 26.A N THR 30.A O no hydrogen 2.752 N/A ASN 27.A N SER 6.A O no hydrogen 3.169 N/A THR 29.A N TRP 26.A O no hydrogen 3.184 N/A THR 29.A OG1 THR 30.A OG1 no hydrogen 2.987 N/A THR 30.A OG1 TRP 26.A O no hydrogen 3.497 N/A THR 30.A OG1 THR 29.A OG1 no hydrogen 2.987 N/A VAL 32.A N GLY 24.A O no hydrogen 2.959 N/A ALA 33.A N THR 78.A O no hydrogen 3.355 N/A ILE 34.A N TRP 22.A O no hydrogen 2.631 N/A LYS 35.A N ILE 76.A O no hydrogen 2.975 N/A LYS 35.A NZ ASP 144.A OD1 no hydrogen 2.511 N/A THR 36.A N GLU 20.A O no hydrogen 2.745 N/A LEU 37.A N ILE 74.A O no hydrogen 3.021 N/A LYS 38.A N PHE 18.A O no hydrogen 3.137 N/A THR 41.A OG1 LYS 38.A O no hydrogen 2.976 N/A PHE 47.A N SER 43.A O no hydrogen 2.992 N/A LEU 48.A N PRO 44.A O no hydrogen 2.664 N/A GLN 49.A N ALA 46.A O no hydrogen 2.908 N/A GLU 50.A N ALA 46.A O no hydrogen 3.403 N/A ALA 51.A N PHE 47.A O no hydrogen 3.049 N/A GLN 52.A N GLN 49.A O no hydrogen 3.191 N/A VAL 53.A N GLU 50.A O no hydrogen 3.225 N/A MET 54.A N ALA 51.A O no hydrogen 2.782 N/A LYS 55.A N GLN 52.A O no hydrogen 3.332 N/A ARG 58.A N TYR 116.A OH no hydrogen 2.887 N/A LYS 61.A N HIS 59.A ND1 no hydrogen 3.182 N/A LYS 61.A NZ GLN 109.A OE1 no hydrogen 2.842 N/A LEU 62.A N HIS 59.A O no hydrogen 3.362 N/A VAL 63.A N VAL 142.A O no hydrogen 3.010 N/A GLN 64.A N GLU 79.A OE2 no hydrogen 3.127 N/A GLN 64.A NE2 LEU 65.A O no hydrogen 2.906 N/A TYR 66.A N VAL 77.A O no hydrogen 2.648 N/A ALA 67.A N VAL 77.A O no hydrogen 2.964 N/A VAL 69.A N TYR 75.A O no hydrogen 2.778 N/A SER 70.A OG GLU 1.A OE1 no hydrogen 3.465 N/A TYR 75.A N VAL 69.A O no hydrogen 3.334 N/A ILE 76.A N LYS 35.A O no hydrogen 2.778 N/A VAL 77.A N ALA 67.A O no hydrogen 2.723 N/A THR 78.A N ALA 33.A O no hydrogen 3.004 N/A THR 78.A OG1 GLU 79.A O no hydrogen 3.475 N/A GLU 79.A N GLN 64.A O no hydrogen 2.954 N/A SER 82.A OG GLU 136.A OE2 no hydrogen 3.173 N/A LYS 83.A N VAL 134.A O no hydrogen 3.081 N/A GLY 84.A N MET 81.A O no hydrogen 3.010 N/A LEU 86.A N ILE 132.A O no hydrogen 2.674 N/A LEU 87.A N ALA 129.A O no hydrogen 3.309 N/A ASP 88.A N SER 85.A OG no hydrogen 3.054 N/A PHE 89.A N SER 85.A O no hydrogen 2.933 N/A LEU 90.A N LEU 86.A O no hydrogen 2.730 N/A LYS 91.A N LEU 87.A O no hydrogen 2.892 N/A GLY 95.A N GLY 92.A O no hydrogen 3.171 N/A LYS 96.A N GLU 93.A O no hydrogen 3.387 N/A TYR 97.A N MET 94.A O no hydrogen 2.697 N/A LEU 98.A N MET 94.A O no hydrogen 2.943 N/A ARG 99.A N GLN 102.A OE1 no hydrogen 2.802 N/A ARG 99.A NH1 LYS 96.A O no hydrogen 3.004 N/A ARG 99.A NH2 GLY 253.A O no hydrogen 3.567 N/A LEU 100.A N LEU 256.A O no hydrogen 3.081 N/A LEU 103.A N ARG 99.A O no hydrogen 3.075 N/A VAL 104.A N LEU 100.A O no hydrogen 2.717 N/A ASP 105.A N PRO 101.A O no hydrogen 2.942 N/A MET 106.A N GLN 102.A O no hydrogen 2.913 N/A ALA 107.A N LEU 103.A O no hydrogen 2.893 N/A ALA 108.A N VAL 104.A O no hydrogen 3.169 N/A GLN 109.A N ASP 105.A O no hydrogen 3.321 N/A GLN 109.A NE2 ASP 105.A O no hydrogen 3.435 N/A GLN 109.A NE2 LEU 138.A O no hydrogen 2.961 N/A ILE 110.A N MET 106.A O no hydrogen 3.243 N/A ALA 111.A N ALA 107.A O no hydrogen 2.819 N/A SER 112.A N ALA 108.A O no hydrogen 2.813 N/A GLY 113.A N GLN 109.A O no hydrogen 2.998 N/A MET 114.A N ILE 110.A O no hydrogen 2.868 N/A ALA 115.A N ALA 111.A O no hydrogen 2.805 N/A TYR 116.A N SER 112.A O no hydrogen 3.199 N/A VAL 117.A N GLY 113.A O no hydrogen 3.218 N/A GLU 118.A N MET 114.A O no hydrogen 2.767 N/A ARG 119.A N ALA 115.A O no hydrogen 3.034 N/A MET 120.A N TYR 116.A O no hydrogen 2.981 N/A ASN 121.A N GLU 118.A O no hydrogen 3.292 N/A TYR 122.A N VAL 117.A O no hydrogen 3.080 N/A HIS 124.A N ASP 167.A OD2 no hydrogen 2.744 N/A HIS 124.A NE2 ALA 143.A O no hydrogen 2.996 N/A ARG 125.A N ASP 167.A OD1 no hydrogen 3.103 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 3.056 N/A ARG 128.A NE ASP 126.A OD1 no hydrogen 2.915 N/A ARG 128.A NE ASP 126.A OD2 no hydrogen 3.183 N/A ARG 128.A NH2 ASP 126.A OD2 no hydrogen 3.384 N/A ALA 129.A N GLU 177.A OE1 no hydrogen 3.002 N/A ASN 131.A N ARG 128.A O no hydrogen 2.869 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.874 N/A ASN 131.A ND2 ASP 126.A OD2 no hydrogen 3.024 N/A ILE 132.A N ALA 129.A O no hydrogen 3.352 N/A LEU 133.A N LYS 141.A O no hydrogen 2.771 N/A VAL 134.A N GLY 84.A O no hydrogen 2.782 N/A GLY 135.A N VAL 139.A O no hydrogen 2.681 N/A VAL 139.A N GLU 136.A O no hydrogen 3.185 N/A CYS 140.A N GLN 109.A OE1 no hydrogen 3.188 N/A CYS 140.A SG LEU 138.A O no hydrogen 3.651 N/A LYS 141.A N LEU 133.A O no hydrogen 2.743 N/A LYS 141.A NZ GLU 79.A OE1 no hydrogen 3.429 N/A LYS 141.A NZ GLU 79.A OE2 no hydrogen 2.789 N/A VAL 142.A N LYS 61.A O no hydrogen 2.913 N/A ALA 143.A N ASN 131.A O no hydrogen 2.883 N/A GLY 146.A N HIS 124.A O no hydrogen 3.103 N/A ILE 149.A N PHE 147.A O no hydrogen 3.008 N/A LYS 150.A NZ MET 189.A O no hydrogen 2.837 N/A TRP 151.A N PRO 148.A O no hydrogen 3.127 N/A TRP 151.A NE1 GLU 177.A OE1 no hydrogen 2.985 N/A THR 152.A N ILE 149.A O no hydrogen 3.223 N/A THR 152.A OG1 PRO 148.A O no hydrogen 2.879 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.836 N/A ALA 156.A N ALA 153.A O no hydrogen 2.892 N/A ALA 157.A N ALA 153.A O no hydrogen 2.974 N/A LEU 158.A N PRO 154.A O no hydrogen 3.114 N/A TYR 159.A N GLU 155.A O no hydrogen 3.229 N/A GLY 160.A N ALA 156.A O no hydrogen 3.098 N/A ARG 161.A N GLU 155.A O no hydrogen 3.183 N/A PHE 162.A N GLY 160.A O no hydrogen 2.975 N/A THR 163.A N SER 166.A OG no hydrogen 2.872 N/A LYS 165.A N THR 163.A OG1 no hydrogen 3.287 N/A LYS 165.A NZ ARG 229.A O no hydrogen 2.593 N/A SER 166.A N THR 163.A O no hydrogen 2.718 N/A SER 166.A OG THR 163.A O no hydrogen 2.502 N/A ASP 167.A N THR 163.A O no hydrogen 3.198 N/A VAL 168.A N ILE 164.A O no hydrogen 3.313 N/A SER 170.A N SER 166.A O no hydrogen 3.209 N/A SER 170.A OG TRP 151.A O no hydrogen 2.607 N/A SER 170.A OG SER 166.A O no hydrogen 3.214 N/A PHE 171.A N ASP 167.A O no hydrogen 2.816 N/A GLY 172.A N VAL 168.A O no hydrogen 3.063 N/A ILE 173.A N TRP 169.A O no hydrogen 3.252 N/A LEU 174.A N SER 170.A O no hydrogen 2.875 N/A LEU 175.A N PHE 171.A O no hydrogen 2.852 N/A THR 176.A N ILE 173.A O no hydrogen 2.850 N/A THR 176.A OG1 ILE 173.A O no hydrogen 2.647 N/A GLU 177.A N ILE 173.A O no hydrogen 3.246 N/A LEU 178.A N LEU 174.A O no hydrogen 3.100 N/A THR 179.A N LEU 175.A O no hydrogen 3.074 N/A THR 179.A OG1 LEU 175.A O no hydrogen 3.249 N/A THR 179.A OG1 THR 176.A O no hydrogen 3.220 N/A THR 180.A N THR 176.A O no hydrogen 2.909 N/A THR 180.A OG1 THR 176.A O no hydrogen 2.459 N/A LYS 181.A N LEU 178.A O no hydrogen 3.204 N/A LYS 181.A NZ GLY 95.A O no hydrogen 2.727 N/A LYS 181.A NZ ASN 255.A O no hydrogen 3.116 N/A GLY 182.A N GLU 177.A O no hydrogen 2.738 N/A MET 189.A N TYR 186.A O no hydrogen 3.093 N/A VAL 194.A N VAL 190.A O no hydrogen 2.865 N/A LEU 195.A N ASN 191.A O no hydrogen 2.693 N/A ASP 196.A N ARG 192.A O no hydrogen 3.017 N/A GLN 197.A N GLU 193.A O no hydrogen 3.075 N/A VAL 198.A N VAL 194.A O no hydrogen 2.946 N/A GLU 199.A N LEU 195.A O no hydrogen 3.344 N/A ARG 200.A N GLN 197.A O no hydrogen 3.077 N/A GLY 201.A N VAL 198.A O no hydrogen 3.105 N/A TYR 202.A N GLN 197.A O no hydrogen 2.995 N/A ARG 203.A NE TRP 222.A O no hydrogen 2.847 N/A ARG 203.A NH1 VAL 198.A O no hydrogen 3.224 N/A ARG 203.A NH1 TYR 202.A O no hydrogen 2.888 N/A ARG 203.A NH2 TRP 222.A O no hydrogen 3.056 N/A CYS 206.A SG PRO 207.A O no hydrogen 3.698 N/A CYS 206.A SG CYS 210.A O no hydrogen 3.009 N/A CYS 210.A N PRO 207.A O no hydrogen 3.085 N/A CYS 210.A SG PRO 211.A O no hydrogen 3.496 N/A SER 213.A OG TYR 242.A OH no hydrogen 2.732 N/A SER 213.A OG GLU 247.A OE2 no hydrogen 2.697 N/A LEU 214.A N PRO 211.A O no hydrogen 3.006 N/A HIS 215.A N PRO 211.A O no hydrogen 3.111 N/A HIS 215.A NE2 MET 204.A O no hydrogen 2.923 N/A ASP 216.A N GLU 212.A O no hydrogen 2.763 N/A MET 218.A N LEU 214.A O no hydrogen 3.381 N/A CYS 219.A N HIS 215.A O no hydrogen 3.080 N/A CYS 219.A SG HIS 215.A O no hydrogen 3.485 N/A GLN 220.A N ASP 216.A O no hydrogen 3.120 N/A GLN 220.A NE2 ASP 216.A O no hydrogen 3.524 N/A CYS 221.A N LEU 217.A O no hydrogen 3.162 N/A CYS 221.A SG LEU 217.A O no hydrogen 3.086 N/A TRP 222.A N CYS 219.A O no hydrogen 3.139 N/A ARG 223.A NH1 GLU 228.A O no hydrogen 2.649 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.927 N/A GLU 228.A N ASP 225.A O no hydrogen 2.907 N/A ARG 229.A N PRO 226.A O no hydrogen 2.936 N/A ARG 229.A NE ARG 223.A O no hydrogen 2.794 N/A ARG 229.A NH1 GLU 155.A OE2 no hydrogen 2.974 N/A ARG 229.A NH1 LYS 165.A O no hydrogen 2.656 N/A ARG 229.A NH2 GLU 155.A OE1 no hydrogen 2.976 N/A ARG 229.A NH2 ARG 223.A O no hydrogen 3.021 N/A PHE 232.A N GLU 118.A OE1 no hydrogen 3.260 N/A PHE 232.A N GLU 118.A OE2 no hydrogen 2.967 N/A GLU 233.A N GLU 118.A OE1 no hydrogen 3.443 N/A TYR 234.A N THR 231.A OG1 no hydrogen 3.114 N/A LEU 235.A N THR 231.A O no hydrogen 3.053 N/A GLN 236.A N PHE 232.A O no hydrogen 2.846 N/A GLN 236.A NE2 GLU 240.A OE2 no hydrogen 3.254 N/A ALA 237.A N GLU 233.A O no hydrogen 3.272 N/A PHE 238.A N TYR 234.A O no hydrogen 2.942 N/A LEU 239.A N LEU 235.A O no hydrogen 2.996 N/A GLU 240.A N GLN 236.A O no hydrogen 3.040 N/A ASP 241.A N ALA 237.A O no hydrogen 3.069 N/A TYR 242.A N LEU 239.A O no hydrogen 3.196 N/A TYR 242.A OH SER 213.A OG no hydrogen 2.732 N/A THR 244.A N ASP 241.A O no hydrogen 2.957 N/A SER 245.A N ASP 241.A O no hydrogen 2.865 N/A THR 246.A N TYR 242.A O no hydrogen 2.799 N/A GLU 247.A N TYR 242.A O no hydrogen 2.746 N/A TYR 250.A N GLU 247.A O no hydrogen 3.329 N/A TYR 250.A OH LEU 256.A O no hydrogen 2.725 N/A GLY 253.A N LEU 256.A OXT no hydrogen 2.579 N/A ASN 255.A N GLU 209.A OE2 no hydrogen 2.668 N/A LEU 256.A N GLU 209.A OE2 no hydrogen 2.831 N/A