Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sh7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N LYS 1.A O no hydrogen 3.391 N/A LYS 6.A N ASP 2.A O no hydrogen 2.961 N/A LEU 7.A N ASP 3.A O no hydrogen 3.353 N/A GLU 8.A N PHE 4.A O no hydrogen 2.995 N/A GLU 9.A N ALA 5.A O no hydrogen 3.068 N/A GLN 10.A N LYS 6.A O no hydrogen 2.745 N/A PHE 11.A N LEU 7.A O no hydrogen 3.019 N/A ASP 12.A N GLU 9.A O no hydrogen 3.438 N/A ALA 13.A N GLU 8.A O no hydrogen 3.093 N/A LYS 14.A N SER 232.A O no hydrogen 2.884 N/A LYS 14.A NZ GLU 34.A OE2 no hydrogen 2.999 N/A LEU 15.A N GLU 8.A OE2 no hydrogen 2.797 N/A GLY 16.A N LEU 230.A O no hydrogen 2.742 N/A ILE 17.A N TYR 30.A O no hydrogen 2.634 N/A PHE 18.A N ALA 228.A O no hydrogen 3.105 N/A ALA 19.A N VAL 28.A O no hydrogen 2.835 N/A LEU 20.A N VAL 226.A O no hydrogen 2.871 N/A ASP 21.A N ARG 26.A O no hydrogen 2.947 N/A THR 22.A N PRO 224.A O no hydrogen 3.096 N/A THR 22.A OG1 PRO 224.A O no hydrogen 2.707 N/A GLY 23.A N ASP 21.A OD1 no hydrogen 2.807 N/A THR 24.A N ASP 21.A O no hydrogen 3.351 N/A ASN 25.A N ASP 21.A O no hydrogen 2.847 N/A ARG 26.A N THR 24.A OG1 no hydrogen 3.196 N/A VAL 28.A N ALA 19.A O no hydrogen 2.931 N/A TYR 30.A N ILE 17.A O no hydrogen 3.078 N/A TYR 30.A OH GLU 8.A OE1 no hydrogen 2.448 N/A ARG 31.A NE GLU 8.A OE2 no hydrogen 2.975 N/A ARG 31.A NH2 GLU 8.A OE1 no hydrogen 3.187 N/A ARG 31.A NH2 GLU 8.A OE2 no hydrogen 3.470 N/A GLU 34.A N ARG 31.A O no hydrogen 3.190 N/A ARG 35.A NH1 VAL 127.A O no hydrogen 3.128 N/A ARG 35.A NH1 THR 148.A OG1 no hydrogen 2.811 N/A ARG 35.A NH2 VAL 127.A O no hydrogen 2.969 N/A PHE 36.A N SER 149.A O no hydrogen 2.978 N/A PHE 38.A N ASP 147.A O no hydrogen 3.244 N/A SER 40.A OG SER 98.A OG no hydrogen 3.213 N/A SER 40.A OG GLU 136.A OE2 no hydrogen 3.465 N/A THR 41.A OG1 PHE 38.A O no hydrogen 2.628 N/A ILE 42.A N ALA 39.A O no hydrogen 3.276 N/A LYS 43.A N SER 40.A O no hydrogen 2.889 N/A LYS 43.A NZ SER 40.A OG no hydrogen 2.680 N/A LYS 43.A NZ ASN 100.A OD1 no hydrogen 2.778 N/A ALA 44.A N THR 41.A O no hydrogen 3.231 N/A THR 46.A N ILE 42.A O no hydrogen 2.905 N/A THR 46.A OG1 ILE 42.A O no hydrogen 2.834 N/A VAL 47.A N LYS 43.A O no hydrogen 3.065 N/A GLY 48.A N ALA 44.A O no hydrogen 3.159 N/A VAL 49.A N LEU 45.A O no hydrogen 2.989 N/A LEU 50.A N THR 46.A O no hydrogen 2.917 N/A LEU 51.A N VAL 47.A O no hydrogen 2.797 N/A GLN 52.A N GLY 48.A O no hydrogen 3.055 N/A GLN 53.A N LEU 50.A O no hydrogen 2.652 N/A GLN 53.A NE2 VAL 49.A O no hydrogen 3.308 N/A LYS 54.A N LEU 50.A O no hydrogen 2.919 N/A ASP 58.A N SER 55.A OG no hydrogen 3.184 N/A LEU 59.A N ILE 56.A O no hydrogen 3.221 N/A ASN 60.A N GLU 57.A O no hydrogen 3.053 N/A ASN 60.A ND2 GLU 57.A OE2 no hydrogen 3.282 N/A GLN 61.A N ASP 58.A O no hydrogen 3.186 N/A GLN 61.A NE2 ASP 58.A O no hydrogen 3.437 N/A ARG 62.A NH1 THR 83.A O no hydrogen 2.893 N/A ILE 63.A N MET 85.A O no hydrogen 2.672 N/A TYR 65.A OH THR 77.A O no hydrogen 2.708 N/A THR 66.A N ASP 69.A OD2 no hydrogen 3.156 N/A THR 66.A OG1 ASP 68.A OD2 no hydrogen 3.250 N/A ASP 68.A N THR 66.A OG1 no hydrogen 3.324 N/A ASP 69.A N THR 66.A O no hydrogen 3.055 N/A LEU 70.A N ARG 67.A O no hydrogen 3.116 N/A VAL 71.A N ASN 74.A OD1 no hydrogen 2.879 N/A ASN 74.A ND2 VAL 71.A O no hydrogen 2.829 N/A ILE 76.A N ASP 99.A OD2 no hydrogen 2.793 N/A THR 77.A N ASP 99.A OD2 no hydrogen 2.810 N/A THR 77.A OG1 ASP 99.A OD1 no hydrogen 2.843 N/A THR 77.A OG1 ASP 99.A OD2 no hydrogen 3.114 N/A GLU 78.A N ASN 74.A O no hydrogen 3.007 N/A LYS 79.A N ILE 76.A O no hydrogen 3.142 N/A LYS 79.A NZ PRO 75.A O no hydrogen 2.685 N/A LYS 79.A NZ GLU 78.A OE2 no hydrogen 3.113 N/A HIS 80.A N THR 77.A O no hydrogen 3.371 N/A THR 83.A OG1 HIS 80.A O no hydrogen 3.454 N/A THR 83.A OG1 GLY 84.A O no hydrogen 2.778 N/A GLY 84.A N HIS 80.A O no hydrogen 2.771 N/A MET 85.A N ILE 63.A O no hydrogen 2.924 N/A THR 86.A N GLU 89.A OE1 no hydrogen 2.855 N/A LEU 87.A N GLN 61.A O no hydrogen 2.984 N/A LYS 88.A N LEU 59.A O no hydrogen 2.880 N/A GLU 89.A N THR 86.A OG1 no hydrogen 3.342 N/A LEU 90.A N THR 86.A O no hydrogen 3.005 N/A ALA 91.A N LEU 87.A O no hydrogen 2.975 N/A ASP 92.A N LYS 88.A O no hydrogen 3.069 N/A ALA 93.A N GLU 89.A O no hydrogen 3.053 N/A SER 94.A N LEU 90.A O no hydrogen 2.905 N/A LEU 95.A N ALA 91.A O no hydrogen 2.967 N/A ARG 96.A N ASP 92.A O no hydrogen 2.859 N/A ARG 96.A NE ASP 92.A OD2 no hydrogen 2.672 N/A ARG 96.A NH1 ARG 181.A O no hydrogen 2.918 N/A TYR 97.A N ALA 93.A O no hydrogen 2.987 N/A ASP 99.A N ALA 93.A O no hydrogen 3.137 N/A ASN 100.A N TYR 73.A O no hydrogen 2.971 N/A ASN 100.A ND2 ASN 72.A OD1 no hydrogen 2.654 N/A ALA 102.A N ASP 99.A OD1 no hydrogen 2.967 N/A GLN 103.A N ASP 99.A O no hydrogen 3.204 N/A GLN 103.A NE2 THR 46.A OG1 no hydrogen 3.062 N/A ASN 104.A N ASN 100.A O no hydrogen 3.034 N/A LEU 105.A N ALA 101.A O no hydrogen 2.948 N/A ILE 106.A N ALA 102.A O no hydrogen 3.069 N/A LEU 107.A N GLN 103.A O no hydrogen 2.838 N/A LYS 108.A N ASN 104.A O no hydrogen 3.015 N/A GLN 109.A N LEU 105.A O no hydrogen 3.157 N/A GLN 109.A NE2 GLN 61.A OE1 no hydrogen 2.872 N/A ILE 110.A N ILE 106.A O no hydrogen 3.050 N/A ILE 110.A N LEU 107.A O no hydrogen 3.230 N/A GLY 111.A N LYS 108.A O no hydrogen 2.981 N/A GLY 112.A N LEU 107.A O no hydrogen 2.582 N/A SER 115.A OG ILE 110.A O no hydrogen 2.703 N/A LEU 116.A N GLY 112.A O no hydrogen 2.888 N/A LYS 117.A N PRO 113.A O no hydrogen 2.876 N/A LYS 117.A NZ GLU 131.A OE2 no hydrogen 2.953 N/A LYS 118.A N GLU 114.A O no hydrogen 3.089 N/A GLU 119.A N SER 115.A O no hydrogen 2.927 N/A LEU 120.A N LEU 116.A O no hydrogen 2.925 N/A ARG 121.A N LYS 117.A O no hydrogen 2.922 N/A ARG 121.A NH1 ASP 125.A O no hydrogen 2.730 N/A ARG 121.A NH1 THR 128.A O no hydrogen 2.826 N/A ARG 121.A NH2 THR 128.A O no hydrogen 3.048 N/A LYS 122.A N LYS 118.A O no hydrogen 3.195 N/A LYS 122.A NZ GLU 119.A OE1 no hydrogen 2.982 N/A LYS 122.A NZ GLU 119.A OE2 no hydrogen 3.383 N/A ILE 123.A N GLU 119.A O no hydrogen 3.259 N/A ILE 123.A N LEU 120.A O no hydrogen 3.218 N/A GLY 124.A N ARG 121.A O no hydrogen 3.058 N/A ASP 125.A N LEU 120.A O no hydrogen 2.886 N/A VAL 127.A N ASP 125.A OD1 no hydrogen 2.951 N/A THR 128.A N ASP 125.A OD1 no hydrogen 2.968 N/A THR 128.A OG1 ASP 125.A OD1 no hydrogen 3.414 N/A THR 128.A OG1 ASP 125.A OD2 no hydrogen 2.698 N/A THR 128.A OG1 SER 149.A OG no hydrogen 2.718 N/A ASN 129.A N THR 148.A O no hydrogen 3.011 N/A ASN 129.A ND2 VAL 127.A O no hydrogen 3.194 N/A GLU 131.A N ASP 147.A OD1 no hydrogen 2.655 N/A ARG 132.A N ASP 147.A OD1 no hydrogen 3.272 N/A ARG 132.A N ASP 147.A OD2 no hydrogen 3.314 N/A LEU 137.A N CYS 134.A O no hydrogen 3.061 N/A ASN 138.A ND2 GLN 146.A O no hydrogen 3.257 N/A GLU 144.A N ASN 141.A O no hydrogen 3.145 N/A ASP 147.A N ASN 129.A O no hydrogen 2.640 N/A THR 148.A N THR 145.A O no hydrogen 3.355 N/A THR 148.A OG1 THR 145.A O no hydrogen 2.628 N/A SER 149.A N PHE 36.A O no hydrogen 3.088 N/A SER 149.A OG THR 128.A OG1 no hydrogen 2.718 N/A THR 150.A N SER 149.A OG no hydrogen 2.786 N/A ARG 152.A N PRO 32.A O no hydrogen 3.114 N/A ARG 152.A NE ASP 33.A OD1 no hydrogen 2.579 N/A ARG 152.A NE ASP 33.A OD2 no hydrogen 3.435 N/A ARG 152.A NH2 ASP 33.A OD1 no hydrogen 3.452 N/A ARG 152.A NH2 ASP 33.A OD2 no hydrogen 2.694 N/A ALA 153.A N THR 150.A OG1 no hydrogen 3.196 N/A LEU 154.A N THR 150.A O no hydrogen 3.085 N/A VAL 155.A N ALA 151.A O no hydrogen 3.149 N/A THR 156.A N ARG 152.A O no hydrogen 3.060 N/A THR 156.A OG1 ARG 152.A O no hydrogen 2.652 N/A SER 157.A N ALA 153.A O no hydrogen 2.893 N/A SER 157.A OG ASP 125.A OD2 no hydrogen 2.604 N/A SER 157.A OG ALA 153.A O no hydrogen 3.176 N/A LEU 158.A N LEU 154.A O no hydrogen 2.858 N/A ARG 159.A N VAL 155.A O no hydrogen 2.796 N/A ALA 160.A N THR 156.A O no hydrogen 3.029 N/A PHE 161.A N SER 157.A O no hydrogen 3.186 N/A ALA 162.A N LEU 158.A O no hydrogen 2.906 N/A LEU 163.A N ARG 159.A O no hydrogen 2.802 N/A GLU 164.A N ARG 159.A O no hydrogen 3.119 N/A LYS 166.A N ALA 160.A O no hydrogen 3.284 N/A LYS 171.A N PRO 168.A O no hydrogen 3.083 N/A LYS 171.A NZ LEU 51.A O no hydrogen 3.389 N/A LYS 171.A NZ LYS 54.A O no hydrogen 2.878 N/A ARG 172.A N PRO 168.A O no hydrogen 3.064 N/A ARG 172.A NE LEU 167.A O no hydrogen 3.058 N/A ARG 172.A NH2 LEU 167.A O no hydrogen 2.891 N/A GLU 173.A N SER 169.A O no hydrogen 2.930 N/A LEU 175.A N LYS 171.A O no hydrogen 3.251 N/A ILE 176.A N ARG 172.A O no hydrogen 2.965 N/A ASP 177.A N GLU 173.A O no hydrogen 2.949 N/A TRP 178.A N LEU 174.A O no hydrogen 3.017 N/A MET 179.A N LEU 175.A O no hydrogen 3.097 N/A LYS 180.A N ILE 176.A O no hydrogen 2.850 N/A LYS 180.A NZ GLU 198.A OE2 no hydrogen 3.126 N/A ARG 181.A N ASP 177.A O no hydrogen 3.086 N/A ARG 181.A NE ASP 177.A OD1 no hydrogen 2.951 N/A ARG 181.A NE ASP 177.A OD2 no hydrogen 3.230 N/A ARG 181.A NH2 ASP 177.A OD2 no hydrogen 2.799 N/A ASN 182.A N MET 179.A O no hydrogen 3.326 N/A ASN 182.A ND2 THR 184.A OG1 no hydrogen 3.072 N/A ASN 182.A ND2 ASP 201.A OD1 no hydrogen 3.056 N/A ASN 182.A ND2 ASP 201.A OD2 no hydrogen 3.206 N/A THR 183.A N ARG 96.A O no hydrogen 3.045 N/A THR 183.A OG1 ARG 96.A O no hydrogen 2.892 N/A THR 184.A N ASN 182.A OD1 no hydrogen 3.275 N/A THR 184.A OG1 ASN 182.A OD1 no hydrogen 3.051 N/A THR 184.A OG1 THR 203.A OG1 no hydrogen 2.641 N/A LEU 188.A N GLY 185.A O no hydrogen 3.099 N/A ILE 189.A N ASP 213.A OD2 no hydrogen 3.021 N/A ARG 190.A NE ASP 201.A OD1 no hydrogen 2.906 N/A ARG 190.A NH1 LYS 180.A O no hydrogen 3.413 N/A ARG 190.A NH1 VAL 199.A O no hydrogen 2.928 N/A ARG 190.A NH2 LYS 180.A O no hydrogen 3.023 N/A ARG 190.A NH2 ASP 201.A OD1 no hydrogen 2.828 N/A ALA 191.A N LEU 188.A O no hydrogen 3.159 N/A GLY 192.A N ILE 189.A O no hydrogen 2.827 N/A TRP 197.A N PRO 194.A O no hydrogen 3.483 N/A ALA 200.A N ILE 216.A O no hydrogen 2.860 N/A ASP 201.A N MET 179.A O no hydrogen 3.059 N/A LYS 202.A N ILE 214.A O no hydrogen 2.894 N/A LYS 202.A NZ SER 98.A OG no hydrogen 2.922 N/A LYS 202.A NZ THR 203.A O no hydrogen 2.770 N/A THR 203.A OG1 THR 184.A OG1 no hydrogen 2.641 N/A GLY 204.A N ASN 212.A O no hydrogen 2.923 N/A ALA 206.A N THR 210.A O no hydrogen 2.949 N/A SER 207.A OG GLU 139.A OE1 no hydrogen 3.233 N/A TYR 208.A N LYS 236.A O no hydrogen 2.788 N/A TYR 208.A OH ASN 141.A OD1 no hydrogen 2.957 N/A THR 210.A N ALA 206.A O no hydrogen 2.985 N/A THR 210.A N SER 207.A O no hydrogen 3.121 N/A THR 210.A OG1 SER 207.A O no hydrogen 2.773 N/A ARG 211.A N SER 231.A O no hydrogen 3.090 N/A ARG 211.A NE ASP 242.A OD1 no hydrogen 2.762 N/A ARG 211.A NH1 GLY 204.A O no hydrogen 3.355 N/A ARG 211.A NH2 ASP 242.A OD1 no hydrogen 3.096 N/A ASN 212.A N GLY 204.A O no hydrogen 2.851 N/A ASN 212.A ND2 ALA 37.A O no hydrogen 2.835 N/A ASN 212.A ND2 PHE 38.A O no hydrogen 3.176 N/A ASP 213.A N VAL 229.A O no hydrogen 3.016 N/A ILE 214.A N LYS 202.A O no hydrogen 3.066 N/A ALA 215.A N LEU 227.A O no hydrogen 2.785 N/A ILE 216.A N ALA 200.A O no hydrogen 2.813 N/A ILE 217.A N VAL 225.A O no hydrogen 2.696 N/A TRP 218.A N GLU 198.A O no hydrogen 2.921 N/A VAL 225.A N ILE 217.A O no hydrogen 2.757 N/A VAL 226.A N LEU 20.A O no hydrogen 2.922 N/A LEU 227.A N ALA 215.A O no hydrogen 2.856 N/A ALA 228.A N PHE 18.A O no hydrogen 2.799 N/A VAL 229.A N ASP 213.A O no hydrogen 2.938 N/A LEU 230.A N GLY 16.A O no hydrogen 2.808 N/A SER 231.A N ASN 212.A OD1 no hydrogen 3.280 N/A SER 231.A OG ARG 211.A O no hydrogen 2.677 N/A SER 232.A N LYS 14.A O no hydrogen 3.104 N/A ARG 233.A N TYR 208.A O no hydrogen 2.554 N/A ARG 233.A NE ASP 12.A O no hydrogen 2.899 N/A ARG 233.A NH1 LYS 239.A O no hydrogen 2.699 N/A ALA 238.A N LYS 235.A O no hydrogen 2.905 N/A LYS 243.A N ASP 241.A OD1 no hydrogen 3.001 N/A LEU 244.A N ASP 241.A O no hydrogen 2.957 N/A ALA 246.A N ASP 242.A O no hydrogen 3.344 N/A GLU 247.A N LYS 243.A O no hydrogen 3.029 N/A ALA 248.A N LEU 244.A O no hydrogen 2.946 N/A THR 249.A N ILE 245.A O no hydrogen 3.014 N/A THR 249.A OG1 ILE 245.A O no hydrogen 2.909 N/A LYS 250.A N ALA 246.A O no hydrogen 2.971 N/A LYS 250.A NZ GLU 247.A OE2 no hydrogen 2.972 N/A VAL 251.A N GLU 247.A O no hydrogen 3.097 N/A VAL 252.A N ALA 248.A O no hydrogen 3.011 N/A MET 253.A N THR 249.A O no hydrogen 2.858 N/A LYS 254.A N LYS 250.A O no hydrogen 3.013 N/A ALA 255.A N VAL 251.A O no hydrogen 2.999 N/A LEU 256.A N MET 253.A O no hydrogen 3.331 N/A