Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sht_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE THR 39.A OG1 no hydrogen 2.754 N/A ARG 3.A NH2 THR 39.A OG1 no hydrogen 3.406 N/A THR 4.A N THR 37.A O no hydrogen 3.091 N/A THR 4.A OG1 THR 37.A OG1 no hydrogen 2.767 N/A THR 4.A OG1 THR 38.A OG1 no hydrogen 2.816 N/A LEU 5.A N SER 29.A O no hydrogen 2.934 N/A VAL 6.A N HIS 40.A O no hydrogen 2.960 N/A THR 8.A N LEU 42.A O no hydrogen 2.848 N/A THR 8.A OG1 THR 49.A OG1 no hydrogen 2.713 N/A GLU 13.A N GLU 13.A OE1 no hydrogen 2.710 N/A GLN 15.A N PRO 11.A O no hydrogen 2.945 N/A ASN 16.A N SER 12.A O no hydrogen 2.980 N/A VAL 17.A N GLU 13.A O no hydrogen 3.451 N/A VAL 18.A N LYS 14.A O no hydrogen 3.048 N/A ILE 19.A N GLN 15.A O no hydrogen 3.055 N/A GLN 20.A N ASN 16.A O no hydrogen 3.183 N/A VAL 21.A N VAL 17.A O no hydrogen 2.841 N/A VAL 22.A N VAL 18.A O no hydrogen 2.852 N/A ASP 23.A N ILE 19.A O no hydrogen 2.999 N/A LYS 24.A N GLN 20.A O no hydrogen 3.010 N/A LEU 25.A N VAL 21.A O no hydrogen 2.671 N/A LYS 26.A N VAL 22.A O no hydrogen 2.868 N/A LYS 26.A NZ ASP 23.A O no hydrogen 2.706 N/A SER 29.A N ARG 3.A O no hydrogen 2.836 N/A SER 29.A OG PRO 1.A O no hydrogen 2.453 N/A ALA 31.A N LEU 5.A O no hydrogen 3.009 N/A VAL 34.A N ASN 51.A OD1 no hydrogen 2.982 N/A CYS 35.A N THR 38.A OG1 no hydrogen 2.915 N/A CYS 35.A SG THR 37.A OG1 no hydrogen 3.296 N/A THR 37.A OG1 THR 2.A O no hydrogen 3.432 N/A THR 37.A OG1 THR 4.A OG1 no hydrogen 2.767 N/A THR 38.A N CYS 35.A O no hydrogen 2.976 N/A THR 38.A OG1 THR 4.A OG1 no hydrogen 2.816 N/A THR 38.A OG1 CYS 35.A O no hydrogen 3.331 N/A THR 39.A N THR 4.A O no hydrogen 3.128 N/A THR 39.A OG1 HIS 40.A ND1 no hydrogen 2.835 N/A HIS 40.A ND1 THR 39.A OG1 no hydrogen 2.835 N/A HIS 40.A NE2 GLU 80.A OE2 no hydrogen 2.841 N/A VAL 41.A N TRP 61.A O no hydrogen 2.724 N/A LEU 42.A N VAL 6.A O no hydrogen 2.754 N/A SER 43.A N LEU 63.A O no hydrogen 2.938 N/A GLY 44.A N THR 8.A O no hydrogen 2.944 N/A LEU 47.A N LYS 45.A O no hydrogen 2.737 N/A ARG 48.A NE ARG 48.A O no hydrogen 3.352 N/A THR 49.A N LEU 47.A O no hydrogen 2.921 N/A THR 49.A OG1 THR 8.A OG1 no hydrogen 2.713 N/A ASN 51.A ND2 PRO 32.A O no hydrogen 3.217 N/A VAL 52.A N THR 49.A OG1 no hydrogen 3.056 N/A LEU 53.A N THR 49.A O no hydrogen 3.010 N/A LEU 54.A N LEU 50.A O no hydrogen 2.851 N/A GLY 55.A N ASN 51.A O no hydrogen 2.884 N/A ILE 56.A N VAL 52.A O no hydrogen 2.847 N/A ALA 57.A N LEU 53.A O no hydrogen 2.927 N/A ARG 58.A N LEU 54.A O no hydrogen 2.975 N/A ARG 58.A NH2 GLU 132.A OE2 no hydrogen 2.937 N/A GLY 59.A N ILE 56.A O no hydrogen 2.895 N/A CYS 60.A N GLY 55.A O no hydrogen 2.857 N/A CYS 60.A SG THR 38.A O no hydrogen 3.359 N/A TRP 61.A N THR 39.A O no hydrogen 2.954 N/A LEU 63.A N VAL 41.A O no hydrogen 2.812 N/A SER 64.A N PHE 83.A O no hydrogen 2.961 N/A TRP 67.A N SER 64.A O no hydrogen 3.092 N/A TRP 67.A NE1 ILE 78.A O no hydrogen 2.797 N/A VAL 68.A N TYR 65.A O no hydrogen 2.900 N/A LEU 69.A N TYR 65.A O no hydrogen 3.349 N/A TRP 70.A N ASP 66.A O no hydrogen 3.003 N/A SER 71.A N TRP 67.A O no hydrogen 2.998 N/A SER 71.A OG TRP 67.A O no hydrogen 2.703 N/A LEU 72.A N VAL 68.A O no hydrogen 2.967 N/A GLU 73.A N LEU 69.A O no hydrogen 3.107 N/A LEU 74.A N TRP 70.A O no hydrogen 2.962 N/A GLY 75.A N SER 71.A O no hydrogen 2.922 N/A GLY 75.A N LEU 72.A O no hydrogen 3.187 N/A HIS 76.A N SER 71.A O no hydrogen 3.125 N/A TRP 77.A NE1 LYS 26.A O no hydrogen 2.679 N/A ILE 78.A N SER 71.A OG no hydrogen 3.299 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.820 N/A PHE 83.A N GLU 80.A O no hydrogen 2.809 N/A GLU 84.A N GLU 81.A O no hydrogen 3.108 N/A LEU 85.A N VAL 62.A O no hydrogen 2.862 N/A SER 86.A N GLU 84.A O no hydrogen 2.875 N/A PHE 89.A N LEU 85.A O no hydrogen 2.833 N/A ALA 92.A N PHE 89.A O no hydrogen 2.798 N/A CYS 95.A N ALA 91.A O no hydrogen 2.983 N/A CYS 95.A SG ALA 91.A O no hydrogen 3.708 N/A CYS 95.A SG HIS 178.A ND1 no hydrogen 3.523 N/A ARG 96.A N ALA 92.A O no hydrogen 2.982 N/A ARG 96.A NE GLU 84.A OE1 no hydrogen 2.722 N/A ARG 96.A NH2 GLU 84.A OE1 no hydrogen 3.448 N/A ARG 96.A NH2 GLU 84.A OE2 no hydrogen 2.731 N/A SER 97.A N PRO 93.A O no hydrogen 2.856 N/A GLU 98.A N LEU 94.A O no hydrogen 3.095 N/A CYS 99.A N CYS 95.A O no hydrogen 2.840 N/A CYS 99.A SG ARG 58.A O no hydrogen 3.820 N/A HIS 100.A N ARG 96.A O no hydrogen 3.004 N/A LEU 101.A N SER 97.A O no hydrogen 3.030 N/A SER 102.A N CYS 99.A O no hydrogen 3.111 N/A SER 102.A OG GLY 104.A O no hydrogen 3.480 N/A TYR 106.A OH GLU 98.A OE2 no hydrogen 2.875 N/A ARG 107.A NE HIS 135.A O no hydrogen 2.822 N/A ARG 107.A NH1 HIS 135.A O no hydrogen 2.906 N/A GLY 108.A N LEU 136.A O no hydrogen 3.098 N/A PHE 111.A N CYS 137.A O no hydrogen 2.874 N/A ALA 112.A N THR 109.A O no hydrogen 3.063 N/A GLN 114.A N PHE 111.A O no hydrogen 3.012 N/A MET 117.A N ARG 140.A O no hydrogen 2.837 N/A PHE 118.A N ILE 150.A O no hydrogen 2.849 N/A SER 120.A N ILE 152.A O no hydrogen 2.714 N/A SER 120.A OG PRO 154.A O no hydrogen 2.544 N/A ALA 122.A N SER 120.A OG no hydrogen 3.075 N/A SER 123.A N SER 120.A O no hydrogen 3.150 N/A SER 123.A OG SER 120.A O no hydrogen 3.143 N/A SER 123.A OG PRO 125.A O no hydrogen 3.183 N/A SER 124.A N GLU 168.A OE1 no hydrogen 2.911 N/A LEU 130.A N PRO 126.A O no hydrogen 2.794 N/A CYS 131.A N VAL 127.A O no hydrogen 2.836 N/A CYS 131.A SG VAL 127.A O no hydrogen 3.251 N/A GLU 132.A N ALA 128.A O no hydrogen 3.012 N/A LEU 133.A N LYS 129.A O no hydrogen 2.990 N/A VAL 134.A N LEU 130.A O no hydrogen 3.094 N/A HIS 135.A N CYS 131.A O no hydrogen 2.905 N/A LEU 136.A N GLU 132.A O no hydrogen 2.881 N/A CYS 137.A N LEU 133.A O no hydrogen 3.035 N/A CYS 137.A SG LEU 133.A O no hydrogen 3.408 N/A GLY 138.A N HIS 135.A O no hydrogen 3.040 N/A GLY 139.A N VAL 134.A O no hydrogen 2.945 N/A SER 142.A N MET 117.A O no hydrogen 2.645 N/A SER 142.A OG VAL 144.A O no hydrogen 2.726 N/A ALA 148.A N PRO 145.A O no hydrogen 2.931 N/A VAL 151.A N LYS 164.A O no hydrogen 2.774 N/A ILE 152.A N PHE 118.A O no hydrogen 2.794 N/A GLY 153.A N LEU 166.A O no hydrogen 2.893 N/A LYS 160.A N TYR 165.A OH no hydrogen 2.773 N/A VAL 163.A N LYS 160.A O no hydrogen 3.171 N/A LYS 164.A N SER 149.A O no hydrogen 2.809 N/A LEU 166.A N VAL 151.A O no hydrogen 2.890 N/A SER 167.A N TYR 186.A O no hydrogen 2.800 N/A GLU 168.A N GLU 168.A OE2 no hydrogen 2.580 N/A LYS 169.A N SER 167.A OG no hydrogen 3.020 N/A LYS 169.A NZ ASP 173.A OD2 no hydrogen 2.589 N/A TRP 170.A N SER 167.A O no hydrogen 2.988 N/A TRP 170.A NE1 CYS 181.A O no hydrogen 2.867 N/A LEU 172.A N GLU 168.A O no hydrogen 3.190 N/A ASP 173.A N LYS 169.A O no hydrogen 2.844 N/A SER 174.A N TRP 170.A O no hydrogen 3.129 N/A SER 174.A OG TRP 170.A O no hydrogen 2.718 N/A ILE 175.A N VAL 171.A O no hydrogen 2.956 N/A THR 176.A N LEU 172.A O no hydrogen 2.976 N/A THR 176.A OG1 LEU 172.A O no hydrogen 3.329 N/A THR 176.A OG1 ASP 173.A O no hydrogen 3.451 N/A GLN 177.A N ASP 173.A O no hydrogen 2.925 N/A HIS 178.A N ILE 175.A O no hydrogen 3.290 N/A HIS 178.A NE2 GLU 98.A OE1 no hydrogen 2.958 N/A LYS 179.A N SER 174.A O no hydrogen 3.154 N/A CYS 181.A N SER 174.A OG no hydrogen 3.011 N/A CYS 181.A SG SER 174.A OG no hydrogen 3.741 N/A CYS 181.A SG TYR 186.A OH no hydrogen 3.733 N/A TYR 186.A N PRO 183.A O no hydrogen 2.820 N/A TYR 186.A OH ASP 173.A OD2 no hydrogen 2.548 N/A LEU 188.A N TYR 165.A O no hydrogen 2.750 N/A