Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jss_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG ALA 1.A O no hydrogen 3.310 N/A THR 5.A N SER 2.A O no hydrogen 3.014 N/A LYS 6.A N SER 2.A O no hydrogen 3.338 N/A LEU 7.A N ILE 3.A O no hydrogen 2.835 N/A GLN 8.A N SER 4.A O no hydrogen 3.020 N/A ASN 9.A N THR 5.A O no hydrogen 3.032 N/A THR 10.A N LYS 6.A O no hydrogen 2.888 N/A THR 10.A OG1 LYS 6.A O no hydrogen 2.958 N/A LEU 11.A N LEU 7.A O no hydrogen 3.142 N/A ILE 12.A N GLN 8.A O no hydrogen 3.085 N/A GLN 13.A N ASN 9.A O no hydrogen 3.056 N/A TYR 14.A N THR 10.A O no hydrogen 2.922 N/A TYR 14.A OH GLN 167.A OE1 no hydrogen 2.927 N/A HIS 15.A N LEU 11.A O no hydrogen 2.912 N/A HIS 15.A ND1 TYR 165.A OH no hydrogen 2.579 N/A SER 16.A N GLN 13.A O no hydrogen 2.878 N/A SER 16.A OG GLN 13.A O no hydrogen 2.581 N/A ILE 17.A N TYR 14.A O no hydrogen 3.051 N/A GLU 21.A N GLU 18.A O no hydrogen 3.039 N/A TRP 22.A N GLU 19.A O no hydrogen 2.606 N/A TRP 22.A NE1 ILE 17.A O no hydrogen 3.282 N/A ARG 23.A N ARG 35.A O no hydrogen 3.037 N/A ALA 25.A N VAL 33.A O no hydrogen 2.647 N/A LYS 26.A N VAL 33.A O no hydrogen 3.147 N/A ALA 28.A N VAL 31.A O no hydrogen 2.802 N/A VAL 31.A N ALA 28.A O no hydrogen 3.439 N/A THR 32.A N GLN 49.A O no hydrogen 3.101 N/A VAL 33.A N LYS 26.A O no hydrogen 2.874 N/A TRP 34.A N LYS 47.A O no hydrogen 2.729 N/A ARG 35.A N ARG 23.A O no hydrogen 2.932 N/A ARG 35.A NH1 TYR 46.A OH no hydrogen 2.620 N/A LYS 36.A N LEU 45.A O no hydrogen 3.087 N/A LYS 36.A NZ GLU 21.A OE1 no hydrogen 2.781 N/A SER 38.A N GLY 43.A O no hydrogen 2.857 N/A GLU 40.A N SER 38.A OG no hydrogen 2.893 N/A PHE 41.A N SER 38.A OG no hydrogen 3.379 N/A GLY 43.A N PHE 41.A O no hydrogen 2.784 N/A LEU 45.A N LYS 36.A O no hydrogen 2.948 N/A TYR 46.A N ILE 166.A O no hydrogen 2.693 N/A LYS 47.A N TRP 34.A O no hydrogen 2.821 N/A ALA 48.A N GLY 164.A O no hydrogen 2.884 N/A GLN 49.A N THR 32.A O no hydrogen 3.062 N/A GLY 50.A N LEU 162.A O no hydrogen 3.201 N/A MET 52.A N SER 160.A O no hydrogen 2.975 N/A VAL 55.A N ASP 54.A OD1 no hydrogen 2.662 N/A ASN 58.A ND2 HIS 62.A NE2 no hydrogen 3.065 N/A VAL 59.A N VAL 55.A O no hydrogen 3.187 N/A ILE 60.A N VAL 56.A O no hydrogen 2.959 N/A ASP 61.A N ASN 57.A O no hydrogen 2.947 N/A HIS 62.A N VAL 59.A O no hydrogen 3.320 N/A ILE 63.A N VAL 59.A O no hydrogen 3.280 N/A ILE 63.A N ILE 60.A O no hydrogen 3.181 N/A ARG 64.A N ILE 60.A O no hydrogen 3.078 N/A ARG 69.A N GLY 66.A O no hydrogen 3.371 N/A ARG 69.A NE ILE 63.A O no hydrogen 2.636 N/A ARG 69.A NH1 ARG 69.A O no hydrogen 2.899 N/A ARG 69.A NH1 ASP 73.A OD2 no hydrogen 2.942 N/A ARG 69.A NH2 ILE 63.A O no hydrogen 3.513 N/A ASP 71.A N TRP 68.A O no hydrogen 3.254 N/A ARG 74.A N ASP 193.A OD2 no hydrogen 3.170 N/A ARG 74.A NE ASP 193.A OD1 no hydrogen 3.375 N/A ARG 74.A NE ASP 193.A OD2 no hydrogen 2.917 N/A ARG 74.A NH2 ASP 193.A OD1 no hydrogen 2.873 N/A LEU 75.A N ASP 73.A OD1 no hydrogen 3.067 N/A THR 77.A N THR 95.A O no hydrogen 3.026 N/A THR 77.A OG1 THR 95.A OG1 no hydrogen 2.841 N/A SER 78.A OG THR 95.A OG1 no hydrogen 2.561 N/A ASP 80.A N ARG 93.A O no hydrogen 2.709 N/A LEU 82.A N VAL 91.A O no hydrogen 2.687 N/A GLU 83.A N VAL 91.A O no hydrogen 3.275 N/A HIS 84.A NE2 GLU 87.A O no hydrogen 3.207 N/A PHE 85.A N CYS 89.A O no hydrogen 3.119 N/A CYS 89.A N GLU 86.A O no hydrogen 2.910 N/A CYS 90.A N SER 113.A O no hydrogen 2.923 N/A MET 92.A N ASP 111.A O no hydrogen 2.991 N/A ARG 93.A N ASP 80.A O no hydrogen 2.790 N/A ARG 93.A NE ASP 80.A OD2 no hydrogen 3.270 N/A ARG 93.A NH1 GLU 133.A OE2 no hydrogen 3.391 N/A ARG 93.A NH2 ASP 80.A OD2 no hydrogen 2.743 N/A TYR 94.A N PHE 109.A O no hydrogen 3.000 N/A TYR 94.A OH ASP 111.A OD2 no hydrogen 2.861 N/A THR 95.A N SER 78.A O no hydrogen 3.189 N/A THR 95.A OG1 THR 77.A OG1 no hydrogen 2.841 N/A THR 95.A OG1 SER 78.A OG no hydrogen 2.561 N/A THR 96.A N ARG 107.A O no hydrogen 2.898 N/A THR 96.A OG1 LEU 75.A O no hydrogen 3.431 N/A ALA 97.A N LEU 75.A O no hydrogen 2.858 N/A GLN 99.A N ILE 104.A O no hydrogen 2.816 N/A ILE 103.A N LEU 100.A O no hydrogen 2.862 N/A ILE 104.A N GLN 99.A O no hydrogen 3.090 N/A ARG 107.A N THR 96.A O no hydrogen 3.139 N/A ARG 107.A NE LEU 170.A O no hydrogen 2.615 N/A ARG 107.A NH1 SER 105.A O no hydrogen 3.085 N/A ARG 107.A NH2 LEU 170.A O no hydrogen 2.759 N/A ARG 107.A NH2 ARG 171.A O no hydrogen 3.028 N/A GLU 108.A N VAL 139.A O no hydrogen 2.977 N/A PHE 109.A N TYR 94.A O no hydrogen 2.824 N/A ASP 111.A N MET 92.A O no hydrogen 2.937 N/A PHE 112.A N VAL 127.A O no hydrogen 2.779 N/A SER 113.A N CYS 90.A O no hydrogen 2.882 N/A TYR 114.A N CYS 125.A O no hydrogen 2.924 N/A THR 115.A N ASN 88.A O no hydrogen 3.090 N/A THR 115.A OG1 SER 124.A OG no hydrogen 3.115 N/A VAL 116.A N LEU 123.A O no hydrogen 2.786 N/A TYR 118.A N GLY 121.A O no hydrogen 2.942 N/A GLY 121.A N TYR 118.A O no hydrogen 2.571 N/A LEU 122.A N CYS 150.A O no hydrogen 2.754 N/A LEU 123.A N VAL 116.A O no hydrogen 2.737 N/A SER 124.A N TRP 148.A O no hydrogen 2.963 N/A SER 124.A OG THR 115.A OG1 no hydrogen 3.115 N/A CYS 125.A N TYR 114.A O no hydrogen 2.845 N/A CYS 125.A SG TYR 114.A O no hydrogen 3.358 N/A GLY 126.A N CYS 146.A O no hydrogen 2.877 N/A VAL 127.A N PHE 112.A O no hydrogen 3.323 N/A SER 128.A N ASN 143.A O no hydrogen 2.732 N/A SER 128.A OG ASP 111.A OD1 no hydrogen 2.603 N/A VAL 129.A N VAL 110.A O no hydrogen 2.909 N/A ARG 135.A NE GLU 108.A OE2 no hydrogen 2.805 N/A ARG 135.A NH2 GLU 108.A OE2 no hydrogen 2.747 N/A PHE 138.A N ARG 135.A O no hydrogen 3.080 N/A VAL 139.A N PRO 106.A O no hydrogen 3.302 N/A ARG 140.A NE GLU 108.A OE1 no hydrogen 3.225 N/A ARG 140.A NH1 TRP 131.A O no hydrogen 2.523 N/A ARG 140.A NH2 GLU 108.A OE1 no hydrogen 3.037 N/A GLY 141.A N GLU 108.A O no hydrogen 2.759 N/A TYR 142.A N ASP 169.A O no hydrogen 2.934 N/A ASN 143.A N SER 128.A OG no hydrogen 2.781 N/A ASN 143.A ND2 ASP 111.A OD2 no hydrogen 3.075 N/A HIS 144.A N GLN 167.A O no hydrogen 3.012 N/A CYS 146.A N GLY 126.A O no hydrogen 2.926 N/A CYS 146.A SG GLY 126.A O no hydrogen 3.349 N/A CYS 146.A SG HIS 144.A O no hydrogen 3.642 N/A GLY 147.A N TYR 165.A O no hydrogen 2.802 N/A TRP 148.A N SER 124.A O no hydrogen 2.924 N/A PHE 149.A N THR 163.A O no hydrogen 2.609 N/A CYS 150.A N LEU 122.A O no hydrogen 2.932 N/A CYS 150.A SG SER 160.A OG no hydrogen 3.534 N/A VAL 151.A N LEU 161.A O no hydrogen 3.217 N/A LEU 153.A N GLN 159.A O no hydrogen 3.109 N/A SER 156.A N LEU 153.A O no hydrogen 2.990 N/A GLN 159.A N SER 156.A O no hydrogen 3.043 N/A SER 160.A N MET 52.A O no hydrogen 3.275 N/A SER 160.A OG ASP 54.A O no hydrogen 3.137 N/A LEU 161.A N VAL 151.A O no hydrogen 2.733 N/A LEU 162.A N GLY 50.A O no hydrogen 2.942 N/A THR 163.A N PHE 149.A O no hydrogen 2.752 N/A GLY 164.A N ALA 48.A O no hydrogen 2.841 N/A TYR 165.A N GLY 147.A O no hydrogen 2.844 N/A TYR 165.A OH HIS 15.A ND1 no hydrogen 2.579 N/A ILE 166.A N TYR 46.A O no hydrogen 3.036 N/A GLN 167.A NE2 SER 38.A OG no hydrogen 2.418 N/A THR 168.A OG1 ASN 143.A OD1 no hydrogen 2.709 N/A ASP 169.A N TYR 142.A O no hydrogen 2.856 N/A ARG 171.A N ASP 169.A OD1 no hydrogen 3.162 N/A ARG 171.A NE ASP 169.A OD2 no hydrogen 2.995 N/A ALA 178.A N PRO 175.A O no hydrogen 3.079 N/A VAL 179.A N PRO 175.A O no hydrogen 3.101 N/A ASP 180.A N GLN 176.A O no hydrogen 2.835 N/A THR 181.A N SER 177.A O no hydrogen 3.378 N/A THR 181.A OG1 SER 177.A O no hydrogen 2.776 N/A ALA 182.A N ALA 178.A O no hydrogen 2.873 N/A MET 183.A N VAL 179.A O no hydrogen 2.849 N/A ALA 184.A N ASP 180.A O no hydrogen 3.020 N/A SER 185.A N THR 181.A O no hydrogen 2.940 N/A SER 185.A OG THR 181.A O no hydrogen 3.266 N/A THR 186.A N ALA 182.A O no hydrogen 2.752 N/A THR 186.A OG1 ALA 182.A O no hydrogen 2.849 N/A LEU 187.A N MET 183.A O no hydrogen 3.204 N/A ALA 188.A N ALA 184.A O no hydrogen 3.244 N/A ASN 189.A N SER 185.A O no hydrogen 2.920 N/A PHE 190.A N THR 186.A O no hydrogen 3.023 N/A TYR 191.A N ALA 188.A O no hydrogen 3.258 N/A TYR 191.A OH LEU 162.A O no hydrogen 2.562 N/A SER 192.A N ALA 188.A O no hydrogen 3.346 N/A ASP 193.A N ASN 189.A O no hydrogen 2.782 N/A LEU 194.A N PHE 190.A O no hydrogen 2.827 N/A ARG 195.A N TYR 191.A O no hydrogen 2.980 N/A ARG 195.A NE VAL 51.A O no hydrogen 3.341 N/A ARG 195.A NH2 ASP 30.A O no hydrogen 2.970 N/A ARG 195.A NH2 VAL 51.A O no hydrogen 2.585 N/A LYS 196.A N SER 192.A O no hydrogen 3.194 N/A LYS 196.A N ASP 193.A O no hydrogen 2.929 N/A GLY 197.A N ASP 193.A O no hydrogen 2.889 N/A LEU 198.A N LEU 194.A O no hydrogen 3.100 N/A ARG 199.A N LYS 196.A O no hydrogen 2.661 N/A