Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pu8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N VAL 1.A O no hydrogen 2.278 N/A SER 4.A OG PHE 173.A O no hydrogen 3.493 N/A SER 4.A OG PHE 174.A O no hydrogen 2.637 N/A GLU 6.A N ASP 3.A OD1 no hydrogen 3.085 N/A ILE 7.A N ASP 3.A O no hydrogen 3.244 N/A LEU 8.A N SER 4.A O no hydrogen 2.857 N/A LYS 9.A N PHE 5.A O no hydrogen 3.009 N/A LYS 9.A NZ GLU 6.A OE1 no hydrogen 3.175 N/A LYS 9.A NZ GLU 6.A OE2 no hydrogen 3.245 N/A ALA 10.A N GLU 6.A O no hydrogen 3.105 N/A LEU 11.A N ILE 7.A O no hydrogen 2.808 N/A LYS 12.A N LEU 8.A O no hydrogen 2.770 N/A SER 13.A N LYS 9.A O no hydrogen 3.060 N/A SER 13.A OG ALA 10.A O no hydrogen 2.874 N/A LEU 14.A N LEU 11.A O no hydrogen 2.965 N/A ASP 15.A N LYS 12.A O no hydrogen 3.009 N/A LYS 18.A N ASP 15.A O no hydrogen 3.350 N/A ALA 20.A N LEU 17.A O no hydrogen 2.759 N/A TRP 24.A N PRO 21.A O no hydrogen 2.961 N/A TRP 24.A NE1 GLU 207.A OE2 no hydrogen 2.836 N/A TRP 25.A N TRP 23.A O no hydrogen 2.730 N/A ALA 28.A N TRP 25.A O no hydrogen 3.152 N/A LEU 29.A N TYR 140.A O no hydrogen 2.713 N/A PHE 31.A N ASP 65.A OD1 no hydrogen 2.810 N/A ALA 33.A N LYS 30.A O no hydrogen 2.845 N/A LEU 35.A N PHE 31.A O no hydrogen 3.032 N/A GLY 36.A N GLU 32.A O no hydrogen 2.887 N/A ALA 37.A N ALA 33.A O no hydrogen 2.895 N/A VAL 38.A N LEU 34.A O no hydrogen 3.104 N/A LEU 39.A N LEU 35.A O no hydrogen 2.898 N/A THR 40.A N GLY 36.A O no hydrogen 2.804 N/A GLN 41.A N VAL 38.A O no hydrogen 3.373 N/A THR 43.A N THR 40.A O no hydrogen 3.050 N/A THR 43.A OG1 SER 87.A O no hydrogen 3.548 N/A VAL 48.A N LYS 44.A O no hydrogen 3.284 N/A LEU 49.A N PHE 45.A O no hydrogen 3.004 N/A LYS 50.A N GLU 46.A O no hydrogen 3.466 N/A SER 51.A N ALA 47.A O no hydrogen 3.245 N/A SER 51.A OG SER 87.A OG no hydrogen 2.625 N/A LEU 52.A N VAL 48.A O no hydrogen 3.043 N/A GLU 53.A N LEU 49.A O no hydrogen 2.845 N/A ASN 54.A N LYS 50.A O no hydrogen 2.817 N/A ASN 54.A ND2 CYS 83.A O no hydrogen 2.897 N/A LEU 55.A N SER 51.A O no hydrogen 2.888 N/A LYS 56.A N LEU 52.A O no hydrogen 2.829 N/A LYS 56.A NZ GLU 32.A OE1 no hydrogen 3.384 N/A LYS 56.A NZ GLU 32.A OE2 no hydrogen 2.968 N/A ASN 57.A N GLU 53.A O no hydrogen 2.730 N/A ALA 58.A N ASN 54.A O no hydrogen 2.976 N/A PHE 59.A N LYS 56.A O no hydrogen 2.946 N/A ILE 60.A N LEU 55.A O no hydrogen 3.017 N/A LEU 61.A N LEU 55.A O no hydrogen 3.354 N/A ILE 67.A N ASP 64.A OD2 no hydrogen 3.215 N/A ASN 68.A N ASP 64.A O no hydrogen 2.914 N/A LEU 69.A N ASP 65.A O no hydrogen 2.770 N/A LYS 70.A N GLU 66.A O no hydrogen 3.299 N/A LYS 71.A N ILE 67.A O no hydrogen 2.794 N/A ILE 72.A N ASN 68.A O no hydrogen 3.046 N/A ALA 73.A N LEU 69.A O no hydrogen 3.006 N/A TYR 74.A N LYS 70.A O no hydrogen 3.028 N/A LEU 80.A N GLU 76.A O no hydrogen 3.152 N/A ALA 81.A N PHE 77.A O no hydrogen 2.835 N/A GLU 82.A N SER 78.A O no hydrogen 2.982 N/A CYS 83.A N LYS 79.A O no hydrogen 2.953 N/A CYS 83.A SG LYS 79.A O no hydrogen 3.096 N/A VAL 84.A N LEU 80.A O no hydrogen 3.083 N/A VAL 84.A N ALA 81.A O no hydrogen 3.283 N/A ARG 85.A N GLU 82.A O no hydrogen 3.255 N/A ARG 85.A NE GLU 82.A OE1 no hydrogen 2.662 N/A ARG 85.A NE GLU 82.A OE2 no hydrogen 3.375 N/A ARG 85.A NH2 GLU 82.A OE2 no hydrogen 2.936 N/A SER 87.A N VAL 84.A O no hydrogen 3.239 N/A SER 87.A OG SER 51.A OG no hydrogen 2.625 N/A SER 87.A OG VAL 84.A O no hydrogen 3.205 N/A GLY 88.A N ARG 85.A O no hydrogen 2.833 N/A LYS 93.A N PHE 89.A O no hydrogen 2.839 N/A LYS 93.A NZ LEU 39.A O no hydrogen 2.741 N/A LYS 93.A NZ GLN 41.A O no hydrogen 2.766 N/A LYS 93.A NZ SER 87.A O no hydrogen 2.753 N/A ALA 94.A N TYR 90.A O no hydrogen 2.915 N/A LYS 95.A N ASN 91.A O no hydrogen 3.189 N/A LYS 95.A NZ ASP 99.A OD2 no hydrogen 2.777 N/A ARG 96.A N GLN 92.A O no hydrogen 2.931 N/A LEU 97.A N LYS 93.A O no hydrogen 2.919 N/A ILE 98.A N ALA 94.A O no hydrogen 2.857 N/A ASP 99.A N LYS 95.A O no hydrogen 2.856 N/A LEU 100.A N ARG 96.A O no hydrogen 2.841 N/A SER 101.A N LEU 97.A O no hydrogen 2.775 N/A SER 101.A OG LEU 97.A O no hydrogen 2.684 N/A GLY 102.A N ILE 98.A O no hydrogen 2.889 N/A ASN 103.A N ASP 99.A O no hydrogen 2.778 N/A ASN 103.A ND2 GLN 126.A OE1 no hydrogen 2.826 N/A ILE 104.A N LEU 100.A O no hydrogen 2.791 N/A LEU 105.A N SER 101.A O no hydrogen 3.096 N/A LYS 106.A N GLY 102.A O no hydrogen 2.945 N/A ASP 107.A N ASN 103.A O no hydrogen 2.882 N/A PHE 108.A N ILE 104.A O no hydrogen 2.696 N/A GLN 109.A N LEU 105.A O no hydrogen 2.919 N/A SER 110.A N PHE 108.A O no hydrogen 2.730 N/A PHE 111.A N GLU 66.A OE2 no hydrogen 2.690 N/A GLU 112.A N GLU 66.A OE1 no hydrogen 2.850 N/A ASN 113.A N SER 110.A OG no hydrogen 3.031 N/A ASN 113.A ND2 PHE 108.A O no hydrogen 2.895 N/A PHE 114.A N SER 110.A O no hydrogen 3.017 N/A LYS 115.A N PHE 111.A O no hydrogen 2.910 N/A LYS 115.A N GLU 112.A O no hydrogen 3.228 N/A LYS 115.A NZ LEU 29.A O no hydrogen 2.939 N/A GLN 116.A N ASN 113.A O no hydrogen 3.035 N/A GLN 116.A NE2 GLU 117.A OE1 no hydrogen 3.175 N/A GLU 117.A N ASN 113.A O no hydrogen 2.878 N/A VAL 118.A N PHE 114.A O no hydrogen 2.898 N/A THR 119.A OG1 GLU 121.A OE2 no hydrogen 3.454 N/A ARG 120.A NE ASP 135.A OD2 no hydrogen 2.879 N/A ARG 120.A NH1 ASP 168.A OD2 no hydrogen 2.803 N/A ARG 120.A NH2 ASP 135.A OD1 no hydrogen 2.756 N/A ARG 120.A NH2 ASP 135.A OD2 no hydrogen 3.538 N/A ARG 120.A NH2 ASP 168.A OD2 no hydrogen 3.096 N/A TRP 122.A N THR 119.A OG1 no hydrogen 3.181 N/A TRP 122.A NE1 ASP 107.A OD1 no hydrogen 2.647 N/A LEU 123.A N THR 119.A O no hydrogen 3.174 N/A LEU 124.A N ARG 120.A O no hydrogen 2.771 N/A ASP 125.A N GLU 121.A O no hydrogen 3.079 N/A ASP 125.A N TRP 122.A O no hydrogen 3.195 N/A GLN 126.A N LEU 123.A O no hydrogen 2.876 N/A GLN 126.A NE2 TRP 122.A O no hydrogen 3.009 N/A ILE 129.A N GLN 126.A O no hydrogen 3.007 N/A GLY 130.A N GLN 41.A OE1 no hydrogen 3.401 N/A LYS 131.A NZ ASP 168.A OD1 no hydrogen 2.984 N/A SER 133.A OG ALA 37.A O no hydrogen 2.888 N/A ALA 134.A N GLY 130.A O no hydrogen 2.807 N/A ASP 135.A N LYS 131.A O no hydrogen 2.680 N/A ALA 136.A N GLU 132.A O no hydrogen 2.771 N/A ILE 137.A N SER 133.A O no hydrogen 2.865 N/A LEU 138.A N ALA 134.A O no hydrogen 2.977 N/A CYS 139.A N ASP 135.A O no hydrogen 2.836 N/A CYS 139.A SG ALA 196.A O no hydrogen 3.739 N/A TYR 140.A N ALA 136.A O no hydrogen 2.706 N/A TYR 140.A OH ALA 200.A O no hydrogen 2.471 N/A ALA 141.A N ILE 137.A O no hydrogen 2.934 N/A CYS 142.A N ILE 137.A O no hydrogen 2.892 N/A CYS 142.A SG ILE 137.A O no hydrogen 3.518 N/A ALA 143.A N CYS 139.A O no hydrogen 2.986 N/A LYS 144.A N LEU 138.A O no hydrogen 2.917 N/A LYS 144.A NZ GLN 116.A O no hydrogen 2.971 N/A VAL 146.A N LYS 144.A O no hydrogen 2.988 N/A MET 147.A N GLU 175.A OE1 no hydrogen 2.892 N/A VAL 149.A N TYR 167.A OH no hydrogen 3.355 N/A SER 153.A N ASP 150.A OD2 no hydrogen 2.789 N/A SER 153.A OG ASP 150.A OD2 no hydrogen 2.498 N/A TYR 154.A N ASP 150.A O no hydrogen 3.046 N/A TYR 154.A OH GLU 163.A OE2 no hydrogen 2.721 N/A LEU 155.A N LYS 151.A O no hydrogen 2.867 N/A PHE 156.A N TYR 152.A O no hydrogen 2.812 N/A LEU 157.A N SER 153.A O no hydrogen 2.898 N/A LYS 158.A N TYR 154.A O no hydrogen 2.921 N/A LYS 159.A N LEU 155.A O no hydrogen 3.070 N/A LEU 160.A N PHE 156.A O no hydrogen 3.286 N/A GLY 161.A N LYS 158.A O no hydrogen 2.990 N/A ILE 162.A N LEU 157.A O no hydrogen 3.072 N/A TYR 167.A OH ASP 135.A OD1 no hydrogen 2.781 N/A TYR 167.A OH VAL 149.A O no hydrogen 3.409 N/A GLU 169.A N ASP 166.A OD2 no hydrogen 2.889 N/A LEU 170.A N ASP 166.A O no hydrogen 3.130 N/A GLN 171.A N TYR 167.A O no hydrogen 3.059 N/A GLN 171.A NE2 ASP 135.A OD1 no hydrogen 2.818 N/A GLN 171.A NE2 MET 147.A O no hydrogen 2.759 N/A HIS 172.A N ASP 168.A O no hydrogen 2.834 N/A PHE 173.A N GLU 169.A O no hydrogen 2.756 N/A PHE 174.A N LEU 170.A O no hydrogen 3.031 N/A GLU 175.A N GLN 171.A O no hydrogen 2.763 N/A LYS 176.A N HIS 172.A O no hydrogen 2.811 N/A LYS 176.A NZ GLU 180.A OE1 no hydrogen 3.271 N/A VAL 178.A N GLU 175.A O no hydrogen 3.032 N/A GLN 179.A N GLU 175.A O no hydrogen 3.017 N/A GLU 180.A N LYS 176.A O no hydrogen 2.816 N/A ASN 181.A N VAL 178.A O no hydrogen 2.779 N/A ASN 181.A ND2 GLY 177.A O no hydrogen 2.937 N/A ALA 185.A N ASN 181.A O no hydrogen 2.780 N/A LEU 186.A N LEU 182.A O no hydrogen 2.894 N/A ALA 187.A N ASN 183.A O no hydrogen 2.999 N/A LEU 188.A N ALA 185.A O no hydrogen 3.135 N/A TYR 189.A N LEU 186.A O no hydrogen 2.856 N/A GLN 197.A N SER 194.A OG no hydrogen 3.046 N/A GLN 197.A NE2 ALA 22.A O no hydrogen 3.046 N/A LEU 198.A N SER 194.A O no hydrogen 2.902 N/A TYR 199.A N LEU 195.A O no hydrogen 2.907 N/A TYR 199.A OH GLU 175.A O no hydrogen 3.397 N/A ALA 200.A N ALA 196.A O no hydrogen 2.830 N/A ARG 201.A N GLN 197.A O no hydrogen 2.819 N/A ARG 201.A NH1 ALA 22.A O no hydrogen 2.973 N/A PHE 202.A N LEU 198.A O no hydrogen 2.698 N/A HIS 203.A N TYR 199.A O no hydrogen 2.926 N/A GLY 204.A N ALA 200.A O no hydrogen 3.199 N/A VAL 206.A N HIS 203.A O no hydrogen 2.991 N/A GLU 207.A N GLY 204.A O no hydrogen 2.853 N/A SER 209.A N ILE 205.A O no hydrogen 2.855 N/A SER 209.A OG ILE 205.A O no hydrogen 2.577 N/A LYS 210.A N VAL 206.A O no hydrogen 2.991 N/A LYS 210.A NZ GLU 46.A OE1 no hydrogen 3.240 N/A GLN 211.A N GLU 207.A O no hydrogen 2.964 N/A LYS 212.A N SER 209.A O no hydrogen 3.357 N/A LYS 212.A NZ SER 209.A O no hydrogen 3.415 N/A