Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3smi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N GLN 38.A O no hydrogen 2.769 N/A VAL 6.A N ARG 36.A O no hydrogen 3.035 N/A LEU 8.A N ILE 34.A O no hydrogen 3.005 N/A ASP 12.A N LEU 9.A O no hydrogen 2.746 N/A ASN 16.A N ASP 12.A O no hydrogen 3.158 N/A THR 17.A N PRO 13.A O no hydrogen 3.020 N/A THR 17.A OG1 PRO 13.A O no hydrogen 3.136 N/A VAL 18.A N GLU 14.A O no hydrogen 3.373 N/A ALA 19.A N TYR 15.A O no hydrogen 2.784 N/A SER 20.A N ASN 16.A O no hydrogen 2.959 N/A SER 20.A OG ASN 16.A O no hydrogen 3.228 N/A SER 20.A OG THR 17.A O no hydrogen 3.175 N/A LYS 21.A N THR 17.A O no hydrogen 3.301 N/A LYS 21.A NZ GLN 24.A OE1 no hydrogen 3.049 N/A PHE 22.A N VAL 18.A O no hydrogen 3.056 N/A ASN 23.A N ALA 19.A O no hydrogen 2.783 N/A CYS 26.A N PHE 22.A O no hydrogen 3.020 N/A PHE 29.A N CYS 26.A O no hydrogen 3.296 N/A ARG 30.A N ARG 176.A O no hydrogen 2.829 N/A GLU 32.A N THR 174.A O no hydrogen 2.806 N/A LYS 33.A N THR 174.A O no hydrogen 3.127 N/A LYS 33.A NZ GLU 35.A OE1 no hydrogen 3.231 N/A LYS 33.A NZ GLU 35.A OE2 no hydrogen 3.359 N/A GLU 35.A N LEU 172.A O no hydrogen 2.873 N/A ARG 36.A N VAL 6.A O no hydrogen 2.857 N/A ARG 36.A NE GLN 38.A OE1 no hydrogen 3.135 N/A ARG 36.A NH1 GLU 14.A OE2 no hydrogen 3.352 N/A ARG 36.A NH2 GLN 38.A OE1 no hydrogen 3.057 N/A ILE 37.A N GLU 170.A O no hydrogen 2.877 N/A GLN 38.A N CYS 4.A O no hydrogen 2.716 N/A ASN 39.A N TYR 168.A OH no hydrogen 2.972 N/A ASN 39.A ND2 ASN 79.A O no hydrogen 3.374 N/A ASN 39.A ND2 ARG 80.A O no hydrogen 3.390 N/A LEU 42.A N ASN 39.A OD1 no hydrogen 3.274 N/A TRP 43.A N ASN 39.A O no hydrogen 3.113 N/A ASN 44.A N PRO 40.A O no hydrogen 3.038 N/A SER 45.A N ASP 41.A O no hydrogen 3.175 N/A SER 45.A OG ASP 41.A O no hydrogen 2.928 N/A TYR 46.A N LEU 42.A O no hydrogen 3.019 N/A TYR 46.A OH GLU 63.A OE2 no hydrogen 2.589 N/A GLN 47.A N TRP 43.A O no hydrogen 2.917 N/A ALA 48.A N ASN 44.A O no hydrogen 3.047 N/A LYS 49.A N SER 45.A O no hydrogen 3.220 N/A LYS 49.A N TYR 46.A O no hydrogen 3.248 N/A LYS 50.A N TYR 46.A O no hydrogen 2.970 N/A LYS 51.A N GLN 47.A O no hydrogen 2.925 N/A THR 52.A N ALA 48.A O no hydrogen 3.366 N/A THR 52.A OG1 ALA 48.A O no hydrogen 2.796 N/A MET 53.A N LYS 49.A O no hydrogen 2.941 N/A ASP 54.A N LYS 50.A O no hydrogen 2.871 N/A LYS 56.A N MET 53.A O no hydrogen 3.147 N/A LYS 56.A NZ ASP 147.A OD1 no hydrogen 3.285 N/A ASN 57.A N MET 53.A O no hydrogen 3.094 N/A ASN 57.A ND2 ASN 62.A OD1 no hydrogen 2.767 N/A ASN 57.A ND2 ASP 147.A OD2 no hydrogen 3.270 N/A GLN 59.A N GLN 59.A OE1 no hydrogen 2.840 N/A THR 60.A N ASN 57.A O no hydrogen 3.420 N/A THR 60.A OG1 ASN 57.A O no hydrogen 2.728 N/A ASN 62.A ND2 ASP 54.A OD1 no hydrogen 2.793 N/A LYS 64.A N VAL 124.A O no hydrogen 2.912 N/A LEU 66.A N VAL 122.A O no hydrogen 2.865 N/A PHE 67.A N ALA 97.A O no hydrogen 2.802 N/A HIS 68.A N TYR 120.A O no hydrogen 2.854 N/A HIS 68.A ND1 TYR 95.A O no hydrogen 2.639 N/A HIS 68.A NE2 TYR 87.A OH no hydrogen 2.658 N/A THR 70.A N HIS 118.A O no hydrogen 2.987 N/A THR 70.A OG1 ASP 71.A OD2 no hydrogen 3.423 N/A THR 70.A OG1 TYR 87.A OH no hydrogen 3.027 N/A SER 74.A N ASP 71.A O no hydrogen 3.071 N/A SER 74.A OG ASP 71.A OD1 no hydrogen 3.526 N/A SER 74.A OG ASP 71.A OD2 no hydrogen 3.037 N/A VAL 78.A N SER 74.A O no hydrogen 2.967 N/A VAL 78.A N VAL 75.A O no hydrogen 3.195 N/A ASN 79.A N VAL 75.A O no hydrogen 2.951 N/A ARG 80.A N PRO 76.A O no hydrogen 3.361 N/A ASN 81.A N HIS 77.A O no hydrogen 2.910 N/A GLY 82.A N VAL 78.A O no hydrogen 3.052 N/A SER 86.A N ASN 84.A OD1 no hydrogen 3.323 N/A SER 86.A OG HIS 77.A NE2 no hydrogen 3.427 N/A SER 86.A OG ASN 84.A OD1 no hydrogen 3.011 N/A TYR 87.A N ASN 84.A O no hydrogen 3.224 N/A TYR 87.A OH HIS 68.A NE2 no hydrogen 2.658 N/A TYR 87.A OH THR 70.A OG1 no hydrogen 3.027 N/A ALA 88.A N ASN 84.A O no hydrogen 3.216 N/A TYR 90.A N TYR 95.A OH no hydrogen 2.711 N/A LYS 92.A N LEU 136.A O no hydrogen 2.680 N/A THR 94.A N ALA 161.A O no hydrogen 3.079 N/A PHE 96.A N PHE 159.A O no hydrogen 2.757 N/A ALA 97.A N PHE 67.A O no hydrogen 2.896 N/A VAL 98.A N SER 157.A O no hydrogen 2.952 N/A ASN 101.A N THR 25.A OG1 no hydrogen 3.226 N/A TYR 102.A N ASN 101.A OD1 no hydrogen 2.761 N/A TYR 102.A OH SER 157.A OG no hydrogen 3.079 N/A ALA 104.A N ALA 100.A O no hydrogen 2.763 N/A THR 107.A N ASN 105.A OD1 no hydrogen 3.142 N/A THR 107.A OG1 ASN 105.A OD1 no hydrogen 2.808 N/A TYR 108.A N ASN 105.A O no hydrogen 2.978 N/A SER 109.A N ASN 105.A O no hydrogen 2.838 N/A SER 109.A OG SER 103.A O no hydrogen 2.607 N/A SER 109.A OG ASN 105.A O no hydrogen 3.074 N/A ASP 112.A N ARG 116.A O no hydrogen 3.045 N/A ASN 114.A N ASP 112.A OD1 no hydrogen 3.021 N/A GLY 115.A N ASP 112.A O no hydrogen 2.636 N/A ARG 116.A N ASP 112.A OD1 no hydrogen 2.718 N/A ARG 116.A NE GLU 32.A OE1 no hydrogen 3.258 N/A LYS 117.A N PHE 175.A O no hydrogen 2.724 N/A LYS 117.A NZ ALA 104.A O no hydrogen 3.192 N/A LYS 117.A NZ ASP 106.A OD2 no hydrogen 2.903 N/A LYS 117.A NZ SER 109.A O no hydrogen 2.705 N/A VAL 119.A N ILE 173.A O no hydrogen 3.020 N/A TYR 120.A N HIS 68.A O no hydrogen 2.762 N/A TYR 120.A OH ASN 79.A OD1 no hydrogen 2.780 N/A TYR 121.A N TYR 171.A O no hydrogen 2.885 N/A VAL 122.A N LEU 66.A O no hydrogen 2.714 N/A ARG 123.A N TYR 168.A O no hydrogen 2.928 N/A ARG 123.A NE GLU 170.A OE2 no hydrogen 2.810 N/A ARG 123.A NH1 GLU 63.A OE1 no hydrogen 3.060 N/A VAL 124.A N LYS 64.A O no hydrogen 2.825 N/A LEU 125.A N GLN 166.A O no hydrogen 2.793 N/A THR 126.A OG1 ASN 62.A O no hydrogen 3.157 N/A GLY 127.A N ASN 62.A O no hydrogen 3.113 N/A ILE 128.A N ASP 147.A OD2 no hydrogen 2.779 N/A SER 135.A OG ASN 133.A OD1 no hydrogen 2.746 N/A LEU 136.A N ASN 133.A O no hydrogen 3.259 N/A LYS 142.A N ASP 144.A O no hydrogen 3.163 N/A LYS 142.A NZ ASP 144.A OD2 no hydrogen 3.307 N/A ASP 147.A N ILE 128.A O no hydrogen 2.794 N/A THR 148.A OG1 THR 126.A O no hydrogen 2.719 N/A VAL 149.A N VAL 160.A O no hydrogen 3.191 N/A THR 150.A N THR 130.A O no hydrogen 2.841 N/A THR 150.A OG1 ASP 151.A OD1 no hydrogen 3.331 N/A THR 150.A OG1 ASN 152.A O no hydrogen 3.326 N/A THR 150.A OG1 LEU 158.A O no hydrogen 2.812 N/A VAL 153.A N HIS 131.A NE2 no hydrogen 3.106 N/A HIS 155.A N ASN 152.A OD1 no hydrogen 3.043 N/A SER 157.A N ASP 151.A OD1 no hydrogen 3.239 N/A SER 157.A OG TYR 102.A OH no hydrogen 3.079 N/A SER 157.A OG ASP 151.A OD2 no hydrogen 2.501 N/A PHE 159.A N PHE 96.A O no hydrogen 2.740 N/A VAL 160.A N VAL 149.A O no hydrogen 2.785 N/A ALA 161.A N THR 94.A O no hydrogen 3.078 N/A PHE 162.A N GLN 166.A OE1 no hydrogen 3.279 N/A TYR 163.A N GLN 166.A OE1 no hydrogen 3.298 N/A TYR 165.A N ASP 164.A OD2 no hydrogen 2.891 N/A GLN 166.A NE2 LEU 125.A O no hydrogen 3.475 N/A GLN 166.A NE2 ASP 147.A O no hydrogen 2.696 N/A TYR 168.A N ARG 123.A O no hydrogen 2.771 N/A TYR 168.A OH ILE 37.A O no hydrogen 2.754 N/A GLU 170.A N TYR 168.A O no hydrogen 2.818 N/A TYR 171.A N TYR 121.A O no hydrogen 3.272 N/A TYR 171.A OH GLU 14.A OE2 no hydrogen 2.831 N/A LEU 172.A N GLU 35.A O no hydrogen 2.808 N/A ILE 173.A N VAL 119.A O no hydrogen 2.737 N/A THR 174.A N LYS 33.A O no hydrogen 2.874 N/A PHE 175.A N LYS 117.A O no hydrogen 3.184 N/A ARG 176.A N ARG 30.A O no hydrogen 3.027 N/A ARG 176.A NE GLU 32.A OE2 no hydrogen 3.003 N/A ARG 176.A NH1 ASN 114.A O no hydrogen 3.486 N/A ARG 176.A NH2 ASN 114.A O no hydrogen 3.363 N/A LYS 177.A NZ ASP 106.A OD1 no hydrogen 2.764 N/A