Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N ASN 7.A O no hydrogen 2.934 N/A ASP 4.A N ASN 7.A OD1 no hydrogen 3.052 N/A GLN 11.A N GLY 8.A O no hydrogen 2.844 N/A TRP 12.A N PRO 9.A O no hydrogen 3.278 N/A TRP 12.A NE1 GLY 2.A O no hydrogen 3.017 N/A TRP 12.A NE1 ASN 7.A O no hydrogen 3.008 N/A LYS 14.A N GLN 11.A O no hydrogen 3.298 N/A LYS 14.A NZ GLN 11.A OE1 no hydrogen 3.269 N/A TYR 16.A N TRP 12.A O no hydrogen 2.802 N/A ALA 19.A N TYR 16.A O no hydrogen 3.042 N/A ASN 20.A N PRO 17.A O no hydrogen 3.242 N/A GLY 21.A N ILE 18.A O no hydrogen 2.710 N/A ASN 23.A N GLU 201.A OE1 no hydrogen 2.898 N/A GLN 24.A NE2 LEU 199.A O no hydrogen 3.257 N/A GLN 24.A NE2 GLU 201.A OE1 no hydrogen 2.946 N/A SER 25.A N SER 193.A OG no hydrogen 2.814 N/A SER 25.A OG TYR 190.A OH no hydrogen 2.763 N/A SER 25.A OG SER 193.A O no hydrogen 3.531 N/A ILE 29.A N THR 104.A O no hydrogen 2.887 N/A LYS 30.A NZ ASP 28.A OD1 no hydrogen 2.622 N/A THR 31.A N ASP 106.A OD1 no hydrogen 3.001 N/A THR 31.A OG1 ASP 106.A OD1 no hydrogen 3.380 N/A THR 31.A OG1 ASP 106.A OD2 no hydrogen 2.717 N/A GLU 33.A N LYS 30.A O no hydrogen 2.933 N/A THR 34.A N THR 31.A O no hydrogen 3.497 N/A THR 34.A OG1 THR 31.A O no hydrogen 2.870 N/A LYS 35.A N VAL 252.A O no hydrogen 2.944 N/A HIS 36.A ND1 PHE 256.A OXT no hydrogen 2.824 N/A ASP 37.A N ALA 254.A O no hydrogen 3.238 N/A SER 39.A N ASP 37.A OD1 no hydrogen 2.722 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.760 N/A LYS 41.A N GLY 78.A O no hydrogen 3.161 N/A SER 44.A N LYS 76.A O no hydrogen 2.893 N/A SER 46.A N VAL 74.A O no hydrogen 2.995 N/A TYR 47.A OH HIS 118.A NE2 no hydrogen 2.751 N/A ASN 48.A N SER 73.A OG no hydrogen 2.978 N/A ALA 50.A N ASN 48.A OD1 no hydrogen 3.009 N/A THR 51.A N ASN 48.A O no hydrogen 2.968 N/A THR 51.A OG1 ASN 48.A O no hydrogen 2.691 N/A THR 51.A OG1 SER 73.A OG no hydrogen 2.877 N/A ALA 52.A N PRO 49.A O no hydrogen 3.166 N/A LYS 53.A N ASN 65.A O no hydrogen 2.886 N/A GLU 54.A N ASN 65.A O no hydrogen 3.291 N/A ILE 55.A N ALA 170.A O no hydrogen 2.801 N/A ILE 56.A N HIS 63.A O.A no hydrogen 2.888 N/A ILE 56.A N HIS 63.A O.B no hydrogen 2.915 N/A ASN 57.A N LYS 168.A O no hydrogen 2.984 N/A ASN 57.A ND2 ILE 163.A O no hydrogen 2.996 N/A ASN 57.A ND2 LEU 226.A O no hydrogen 3.142 N/A VAL 58.A N SER 61.A O no hydrogen 2.886 N/A GLY 59.A N ASN 57.A OD1 no hydrogen 2.814 N/A HIS 60.A N VAL 58.A O no hydrogen 2.971 N/A SER 61.A OG PHE 62.A O no hydrogen 3.384 N/A SER 61.A OG PHE 91.A O no hydrogen 3.478 N/A HIS 63.A N.A ILE 56.A O no hydrogen 2.853 N/A HIS 63.A N.B ILE 56.A O no hydrogen 2.885 N/A VAL 64.A N PHE 89.A O no hydrogen 2.988 N/A ASN 65.A N GLU 54.A O no hydrogen 2.836 N/A ASN 65.A ND2 HIS 63.A NE2.B no hydrogen 3.508 N/A PHE 66.A N PHE 87.A O no hydrogen 2.939 N/A GLU 67.A N THR 51.A O no hydrogen 2.780 N/A ARG 72.A N ASP 70.A OD1 no hydrogen 3.243 N/A ARG 72.A NE ASP 70.A OD1 no hydrogen 2.728 N/A ARG 72.A NH2 GLU 67.A OE1 no hydrogen 2.743 N/A ARG 72.A NH2 ASN 69.A OD1 no hydrogen 3.364 N/A SER 73.A OG THR 51.A OG1 no hydrogen 2.877 N/A VAL 74.A N SER 46.A O no hydrogen 2.865 N/A LEU 75.A N TYR 84.A O no hydrogen 2.824 N/A LYS 76.A N SER 44.A O no hydrogen 2.886 N/A GLY 78.A N PRO 42.A O no hydrogen 3.133 N/A PHE 80.A N GLY 77.A O no hydrogen 3.039 N/A TYR 84.A N LEU 75.A O no hydrogen 2.822 N/A TYR 84.A OH ASP 135.A O no hydrogen 3.250 N/A ARG 85.A N TRP 119.A O no hydrogen 2.760 N/A ARG 85.A NE ASN 71.A OD1 no hydrogen 2.773 N/A ARG 85.A NH1 ASP 68.A O no hydrogen 3.000 N/A ARG 85.A NH2 ASN 71.A OD1 no hydrogen 3.045 N/A LEU 86.A N SER 73.A O no hydrogen 2.921 N/A PHE 87.A N ALA 117.A O no hydrogen 2.914 N/A GLN 88.A N ALA 117.A O no hydrogen 3.489 N/A GLN 88.A NE2 ASN 65.A OD1 no hydrogen 3.062 N/A PHE 89.A N VAL 64.A O no hydrogen 2.942 N/A HIS 90.A N HIS 115.A O no hydrogen 2.987 N/A HIS 92.A N GLU 113.A O no hydrogen 2.906 N/A HIS 92.A ND1 ASN 240.A O no hydrogen 2.764 N/A TRP 93.A N ASN 240.A OD1 no hydrogen 2.677 N/A TRP 93.A NE1 MET 237.A O no hydrogen 2.820 N/A SER 95.A OG HIS 99.A NE2 no hydrogen 3.427 N/A ASN 97.A ND2 SER 216.A OG.A no hydrogen 2.854 N/A ASN 97.A ND2 SER 216.A OG.B no hydrogen 3.086 N/A GLU 98.A N THR 96.A OG1 no hydrogen 3.290 N/A HIS 99.A ND1 GLU 98.A OE2 no hydrogen 2.955 N/A SER 101.A N TYR 110.A O no hydrogen 2.924 N/A SER 101.A OG HIS 103.A O no hydrogen 2.757 N/A GLU 102.A N GLU 113.A OE2 no hydrogen 2.791 N/A HIS 103.A N GLU 113.A OE2 no hydrogen 2.759 N/A HIS 103.A ND1 GLU 113.A OE1 no hydrogen 2.725 N/A HIS 103.A NE2 TYR 190.A OH no hydrogen 2.561 N/A THR 104.A N VAL 27.A O no hydrogen 3.402 N/A THR 104.A OG1 ASP 28.A OD2 no hydrogen 2.740 N/A VAL 105.A N VAL 108.A O no hydrogen 3.168 N/A ASP 106.A N ILE 29.A O no hydrogen 2.825 N/A GLY 107.A N ASP 28.A OD2 no hydrogen 2.896 N/A VAL 108.A N VAL 105.A O no hydrogen 2.980 N/A TYR 110.A N SER 101.A OG no hydrogen 3.019 N/A SER 111.A N MET 144.A O no hydrogen 3.040 N/A SER 111.A OG ASN 97.A O no hydrogen 2.646 N/A ALA 112.A N MET 144.A O no hydrogen 3.356 N/A GLU 113.A N HIS 92.A O no hydrogen 3.064 N/A LEU 114.A N VAL 142.A O no hydrogen 2.853 N/A HIS 115.A N HIS 90.A O no hydrogen 2.825 N/A HIS 115.A NE2 GLU 113.A OE1 no hydrogen 2.732 N/A VAL 116.A N ILE 140.A O no hydrogen 2.926 N/A ALA 117.A N GLN 88.A O no hydrogen 2.860 N/A HIS 118.A N ALA 138.A O no hydrogen 2.830 N/A HIS 118.A ND1 ALA 138.A O no hydrogen 3.054 N/A HIS 118.A NE2 TYR 47.A OH no hydrogen 2.751 N/A TRP 119.A N ARG 85.A O no hydrogen 3.016 N/A TRP 119.A NE1 ASP 68.A OD1 no hydrogen 2.831 N/A ASN 120.A N GLY 136.A O no hydrogen 2.789 N/A ASN 120.A ND2 ASP 82.A OD2 no hydrogen 2.932 N/A ASN 120.A ND2 ASP 135.A O no hydrogen 3.133 N/A SER 121.A OG ASN 71.A OD1 no hydrogen 3.002 N/A ALA 122.A N ASN 120.A OD1 no hydrogen 2.937 N/A LYS 123.A N ASN 120.A OD1 no hydrogen 3.087 N/A LYS 123.A NZ ASP 135.A OD2 no hydrogen 2.766 N/A TYR 124.A N ASN 120.A O no hydrogen 3.107 N/A TYR 124.A OH ASP 135.A OD1 no hydrogen 2.634 N/A SER 125.A N.A GLU 129.A OE1 no hydrogen 2.803 N/A SER 125.A N.B GLU 129.A OE1 no hydrogen 2.761 N/A SER 125.A OG.B GLU 129.A OE1 no hydrogen 2.984 N/A GLU 129.A N SER 126.A OG no hydrogen 3.050 N/A ALA 130.A N SER 126.A O no hydrogen 3.029 N/A LYS 133.A N ALA 130.A O no hydrogen 3.084 N/A GLY 136.A N LYS 133.A O no hydrogen 3.031 N/A LEU 137.A N SER 202.A O no hydrogen 2.970 N/A ALA 138.A N HIS 118.A O no hydrogen 3.004 N/A VAL 139.A N THR 204.A O no hydrogen 3.147 N/A ILE 140.A N VAL 116.A O no hydrogen 2.942 N/A GLY 141.A N ILE 206.A O no hydrogen 2.676 N/A VAL 142.A N LEU 114.A O no hydrogen 2.888 N/A MET 144.A N ALA 112.A O no hydrogen 2.896 N/A LYS 145.A N ILE 212.A O no hydrogen 2.886 N/A GLY 147.A N VAL 214.A O no hydrogen 2.777 N/A ASN 150.A N GLN 218.A OE1 no hydrogen 2.833 N/A ASN 150.A ND2 SER 213.A O.A no hydrogen 2.922 N/A ASN 150.A ND2 SER 213.A O.B no hydrogen 2.777 N/A LYS 152.A N ASN 150.A OD1 no hydrogen 2.999 N/A LYS 152.A NZ THR 179.A O no hydrogen 3.244 N/A LEU 153.A N ASN 150.A O no hydrogen 3.161 N/A GLN 154.A N PRO 151.A O no hydrogen 3.165 N/A GLN 154.A NE2 GLN 154.A O no hydrogen 3.291 N/A GLN 154.A NE2 ASP 158.A OD1 no hydrogen 2.636 N/A LYS 155.A NZ THR 173.A O no hydrogen 3.020 N/A LEU 157.A N LEU 153.A O no hydrogen 2.967 N/A ASP 158.A N GLN 154.A O no hydrogen 2.832 N/A ALA 159.A N LYS 155.A O no hydrogen 3.089 N/A ALA 159.A N VAL 156.A O no hydrogen 3.121 N/A LEU 160.A N LEU 157.A O no hydrogen 3.268 N/A GLN 161.A NE2 ASP 158.A O no hydrogen 3.068 N/A ALA 162.A N ALA 159.A O no hydrogen 3.141 N/A ILE 163.A N LEU 160.A O no hydrogen 3.022 N/A LYS 164.A NZ SER 224.A O no hydrogen 3.269 N/A LYS 164.A NZ SER 224.A OG no hydrogen 3.305 N/A LYS 166.A N ASN 228.A O no hydrogen 3.048 N/A GLY 167.A N ASN 57.A O no hydrogen 2.755 N/A LYS 168.A N THR 165.A O no hydrogen 2.983 N/A LYS 168.A NZ ALA 162.A O no hydrogen 3.235 N/A ALA 170.A N ILE 55.A O no hydrogen 2.962 N/A PHE 172.A N LYS 53.A O no hydrogen 2.996 N/A PHE 175.A N PRO 49.A O no hydrogen 3.084 N/A SER 178.A N ASP 176.A OD1 no hydrogen 2.864 N/A SER 178.A OG ASP 176.A OD1 no hydrogen 2.820 N/A SER 178.A OG ASP 176.A OD2 no hydrogen 3.257 N/A THR 179.A N ASP 176.A O no hydrogen 3.081 N/A THR 179.A OG1 ASP 176.A O no hydrogen 2.689 N/A LEU 180.A N PRO 177.A O no hydrogen 3.041 N/A LEU 181.A N SER 178.A O no hydrogen 3.148 N/A SER 183.A OG GLU 210.A OE1 no hydrogen 2.976 N/A SER 184.A N GLU 210.A OE1 no hydrogen 3.178 N/A ASP 186.A N SER 184.A OG no hydrogen 3.152 N/A PHE 187.A N SER 255.A OG no hydrogen 2.843 N/A TRP 188.A N ILE 207.A O no hydrogen 2.835 N/A THR 189.A N ARG 253.A O no hydrogen 2.837 N/A THR 189.A OG1 TRP 205.A O no hydrogen 2.662 N/A TYR 190.A OH SER 25.A OG no hydrogen 2.763 N/A TYR 190.A OH HIS 103.A NE2 no hydrogen 2.561 N/A GLY 192.A N VAL 203.A O no hydrogen 2.647 N/A SER 193.A N SER 25.A OG no hydrogen 2.987 N/A SER 193.A OG LEU 194.A O no hydrogen 2.815 N/A LEU 194.A N TYR 200.A O no hydrogen 2.961 N/A THR 195.A OG1 GLU 102.A OE1 no hydrogen 3.482 N/A THR 195.A OG1 GLU 102.A OE2 no hydrogen 2.583 N/A HIS 196.A ND1 PRO 197.A O no hydrogen 2.888 N/A LEU 199.A N HIS 196.A O no hydrogen 2.845 N/A SER 202.A OG ALA 131.A O no hydrogen 2.678 N/A SER 202.A OG TYR 200.A O no hydrogen 3.535 N/A VAL 203.A N GLY 192.A O no hydrogen 3.168 N/A THR 204.A N LEU 137.A O no hydrogen 2.965 N/A TRP 205.A N TYR 190.A O no hydrogen 2.942 N/A TRP 205.A NE1 SER 193.A O no hydrogen 2.979 N/A ILE 206.A N VAL 139.A O no hydrogen 2.987 N/A ILE 207.A N TRP 188.A O no hydrogen 2.794 N/A CYS 208.A N GLY 141.A O no hydrogen 2.916 N/A CYS 208.A SG GLY 141.A O no hydrogen 4.004 N/A LYS 209.A N ASP 186.A O no hydrogen 2.867 N/A LYS 209.A NZ ASP 186.A OD2 no hydrogen 3.437 N/A ILE 212.A N LEU 143.A O no hydrogen 3.033 N/A SER 213.A OG.A GLU 148.A O no hydrogen 3.065 N/A SER 213.A OG.B GLU 148.A O no hydrogen 2.666 N/A VAL 214.A N LYS 145.A O no hydrogen 3.239 N/A SER 215.A N GLN 218.A OE1 no hydrogen 3.052 N/A GLN 218.A N SER 215.A OG no hydrogen 3.031 N/A GLN 218.A NE2 ASN 150.A O no hydrogen 2.939 N/A LEU 219.A N SER 215.A O no hydrogen 2.824 N/A ALA 220.A N SER 216.A O.A no hydrogen 3.019 N/A ALA 220.A N SER 216.A O.B no hydrogen 3.017 N/A GLN 221.A N GLU 217.A O no hydrogen 3.180 N/A PHE 222.A N GLN 218.A O no hydrogen 3.436 N/A ARG 223.A N LEU 219.A O no hydrogen 3.097 N/A ARG 223.A NE GLY 94.A O no hydrogen 2.542 N/A ARG 223.A NH2 ASN 97.A OD1 no hydrogen 3.087 N/A SER 224.A N GLN 221.A O no hydrogen 3.222 N/A SER 224.A OG ALA 220.A O no hydrogen 3.495 N/A SER 224.A OG GLN 221.A O no hydrogen 2.918 N/A LEU 225.A N PHE 222.A O no hydrogen 3.192 N/A LEU 226.A N LYS 164.A O no hydrogen 2.846 N/A SER 227.A N VAL 235.A O no hydrogen 2.787 N/A SER 227.A OG VAL 235.A O no hydrogen 3.011 N/A ASN 228.A ND2 VAL 229.A O no hydrogen 3.058 N/A ASP 232.A N VAL 229.A O no hydrogen 3.109 N/A ALA 234.A N ASN 233.A OD1 no hydrogen 3.226 N/A VAL 235.A N ASN 228.A OD1 no hydrogen 2.806 N/A MET 237.A N LEU 225.A O no hydrogen 2.741 N/A ASN 240.A N TRP 93.A O no hydrogen 2.988 N/A ASN 240.A ND2 HIS 60.A O no hydrogen 3.080 N/A ASN 241.A ND2 SER 101.A O no hydrogen 3.195 N/A ARG 242.A N GLU 102.A OE1 no hydrogen 2.805 N/A ARG 242.A NH1 GLN 24.A OE1 no hydrogen 2.826 N/A ARG 242.A NH1 SER 25.A O no hydrogen 2.862 N/A ARG 242.A NH2 ALA 19.A O no hydrogen 3.280 N/A ARG 242.A NH2 GLN 24.A OE1 no hydrogen 3.327 N/A GLN 245.A N PRO 26.A O no hydrogen 2.795 N/A GLN 245.A NE2 PRO 243.A O no hydrogen 2.838 N/A LYS 248.A NZ GLY 21.A O no hydrogen 3.549 N/A ARG 250.A N LEU 247.A O no hydrogen 3.033 N/A ARG 250.A NE LEU 247.A O no hydrogen 2.956 N/A ARG 250.A NH1 GLN 24.A O no hydrogen 3.231 N/A ARG 250.A NH1 PRO 191.A O no hydrogen 2.856 N/A ARG 250.A NH2 GLN 24.A O no hydrogen 2.818 N/A ARG 250.A NH2 PRO 246.A O no hydrogen 3.053 N/A ARG 253.A N THR 189.A O no hydrogen 2.857 N/A ARG 253.A NH1 ASP 37.A OD2 no hydrogen 3.479 N/A ALA 254.A N LYS 35.A O no hydrogen 3.008 N/A SER 255.A N PHE 187.A O no hydrogen 2.771 N/A SER 255.A OG PHE 187.A O no hydrogen 3.142 N/A