Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4msd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 TYR 5.A OH no hydrogen 2.534 N/A TYR 5.A OH HIS 3.A NE2 no hydrogen 2.534 N/A THR 6.A N LYS 10.A O no hydrogen 2.727 N/A THR 6.A OG1 LYS 10.A O no hydrogen 3.504 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 2.717 N/A GLY 8.A N THR 6.A OG1 no hydrogen 3.331 N/A GLY 8.A N ASP 139.A O no hydrogen 3.065 N/A GLY 9.A N THR 6.A O no hydrogen 2.829 N/A LYS 10.A N THR 6.A OG1 no hydrogen 3.092 N/A LYS 10.A NZ ASP 139.A OD2 no hydrogen 3.347 N/A LEU 12.A N ALA 4.A O no hydrogen 2.980 N/A ARG 13.A N GLU 119.A OE2 no hydrogen 2.835 N/A ARG 13.A NE GLU 119.A OE2 no hydrogen 2.728 N/A ARG 13.A NH2 GLU 119.A OE1 no hydrogen 2.969 N/A ARG 13.A NH2 GLU 119.A OE2 no hydrogen 3.402 N/A THR 14.A OG1 GLY 170.A O no hydrogen 2.840 N/A ILE 15.A N HIS 171.A O no hydrogen 2.725 N/A TYR 16.A N PHE 52.A O no hydrogen 2.737 N/A LEU 17.A N ARG 173.A O no hydrogen 2.884 N/A LYS 19.A N ILE 175.A O no hydrogen 2.809 N/A LEU 21.A N PRO 18.A O no hydrogen 3.061 N/A LYS 22.A NZ SER 132.A OG no hydrogen 3.107 N/A LYS 23.A NZ ASP 27.A OD1 no hydrogen 3.510 N/A LYS 23.A NZ ASP 27.A OD2 no hydrogen 3.182 N/A VAL 24.A N LEU 20.A O no hydrogen 2.999 N/A PHE 25.A N LEU 21.A O no hydrogen 2.778 N/A LEU 26.A N LYS 22.A O no hydrogen 3.138 N/A ASP 27.A N LYS 23.A O no hydrogen 2.965 N/A VAL 28.A N VAL 24.A O no hydrogen 2.981 N/A VAL 29.A N PHE 25.A O no hydrogen 3.096 N/A LYS 30.A N ASP 27.A O no hydrogen 3.302 N/A ASN 32.A N VAL 29.A O no hydrogen 2.978 N/A ASN 32.A ND2 THR 39.A OG1 no hydrogen 2.986 N/A THR 33.A N VAL 29.A O no hydrogen 3.099 N/A THR 33.A OG1 VAL 29.A O no hydrogen 3.160 N/A LYS 34.A N LYS 30.A O no hydrogen 2.708 N/A LYS 35.A N ASN 32.A O no hydrogen 2.878 N/A ASN 36.A N THR 33.A O no hydrogen 2.971 N/A LEU 37.A N ASN 32.A O no hydrogen 3.018 N/A GLU 38.A N THR 65.A O no hydrogen 2.923 N/A THR 39.A N THR 94.A OG1 no hydrogen 3.131 N/A CYS 40.A N GLN 62.A OE1 no hydrogen 2.797 N/A CYS 40.A SG GLN 62.A OE1 no hydrogen 3.653 N/A CYS 40.A SG CYS 69.A O no hydrogen 3.492 N/A GLY 41.A N ILE 92.A O no hydrogen 2.828 N/A ILE 42.A N VAL 58.A O no hydrogen 2.661 N/A LEU 43.A N GLY 90.A O no hydrogen 2.880 N/A CYS 44.A N HIS 56.A O no hydrogen 2.874 N/A GLY 45.A N LEU 87.A O no hydrogen 3.133 N/A LYS 46.A N PHE 53.A O no hydrogen 2.944 N/A LYS 46.A NZ HIS 84.A O no hydrogen 3.457 N/A LYS 46.A NZ ASN 85.A O no hydrogen 3.265 N/A ARG 48.A N ALA 51.A O no hydrogen 2.907 N/A ARG 48.A NH1 LEU 47.A O no hydrogen 3.000 N/A ALA 51.A N ARG 48.A O no hydrogen 3.114 N/A PHE 52.A N THR 14.A O no hydrogen 2.808 N/A PHE 53.A N LYS 46.A O no hydrogen 2.836 N/A ILE 54.A N TYR 16.A O no hydrogen 3.037 N/A THR 55.A N CYS 44.A O no hydrogen 2.815 N/A THR 55.A OG1 HIS 56.A ND1 no hydrogen 2.703 N/A HIS 56.A N CYS 44.A O no hydrogen 2.942 N/A HIS 56.A ND1 THR 55.A OG1 no hydrogen 2.703 N/A LEU 57.A N GLN 180.A O no hydrogen 2.963 N/A VAL 58.A N ILE 42.A O no hydrogen 2.952 N/A ILE 59.A N VAL 182.A O no hydrogen 2.770 N/A GLN 62.A NE2 CYS 40.A O no hydrogen 3.053 N/A GLN 62.A NE2 PRO 60.A O no hydrogen 2.840 N/A GLU 63.A N GLY 70.A O no hydrogen 2.910 N/A THR 65.A N THR 68.A O no hydrogen 2.979 N/A THR 65.A OG1 ASP 67.A OD1 no hydrogen 3.279 N/A THR 65.A OG1 THR 68.A O no hydrogen 3.305 N/A THR 65.A OG1 THR 68.A OG1 no hydrogen 2.599 N/A ASP 67.A N THR 65.A OG1 no hydrogen 3.223 N/A THR 68.A N THR 65.A OG1 no hydrogen 2.838 N/A THR 68.A OG1 THR 65.A OG1 no hydrogen 2.599 N/A CYS 69.A SG GLU 38.A OE1 no hydrogen 3.442 N/A THR 72.A N LEU 61.A O no hydrogen 2.843 N/A SER 76.A N ASP 73.A OD1 no hydrogen 3.349 N/A SER 76.A OG ASP 73.A O no hydrogen 3.454 N/A SER 76.A OG ASP 73.A OD2 no hydrogen 3.273 N/A PHE 78.A N GLU 74.A O no hydrogen 2.725 N/A GLU 79.A N ALA 75.A O no hydrogen 2.791 N/A PHE 80.A N SER 76.A O no hydrogen 3.017 N/A GLN 81.A N LEU 77.A O no hydrogen 3.015 N/A GLN 81.A NE2 LEU 86.A O no hydrogen 3.223 N/A GLN 81.A NE2 THR 88.A OG1 no hydrogen 2.842 N/A ASP 82.A N PHE 78.A O no hydrogen 2.992 N/A LYS 83.A N GLU 79.A O no hydrogen 3.114 N/A HIS 84.A N PHE 80.A O no hydrogen 3.181 N/A HIS 84.A ND1 PHE 80.A O no hydrogen 3.106 N/A ASN 85.A N ASP 82.A O no hydrogen 3.196 N/A LEU 86.A N GLN 81.A O no hydrogen 2.740 N/A LEU 87.A N GLY 45.A O no hydrogen 2.862 N/A LEU 89.A N LEU 43.A O no hydrogen 2.777 N/A TRP 91.A N ILE 121.A O no hydrogen 3.039 N/A TRP 91.A NE1 HIS 110.A ND1 no hydrogen 3.026 N/A ILE 92.A N GLY 41.A O no hydrogen 2.862 N/A HIS 93.A N ILE 123.A O no hydrogen 2.991 N/A THR 94.A N THR 39.A O no hydrogen 3.166 N/A HIS 95.A N MET 125.A O no hydrogen 2.683 N/A HIS 95.A ND1 THR 99.A O no hydrogen 2.830 N/A THR 99.A N GLN 98.A OE1 no hydrogen 2.829 N/A THR 99.A OG1 GLN 98.A OE1 no hydrogen 3.528 N/A CYS 100.A SG VAL 124.A O no hydrogen 3.457 N/A MET 102.A N TYR 163.A OH no hydrogen 3.128 N/A SER 103.A N ASP 106.A OD2 no hydrogen 2.868 N/A SER 104.A OG LEU 154.A O no hydrogen 3.166 N/A SER 104.A OG HIS 156.A O no hydrogen 3.216 N/A ASP 106.A N SER 103.A OG no hydrogen 3.021 N/A LEU 107.A N SER 103.A O no hydrogen 2.906 N/A HIS 108.A N SER 104.A O no hydrogen 3.161 N/A THR 109.A N VAL 105.A O no hydrogen 2.769 N/A THR 109.A OG1 VAL 105.A O no hydrogen 2.932 N/A HIS 110.A N ASP 106.A O no hydrogen 2.779 N/A HIS 110.A NE2 ALA 120.A O no hydrogen 2.985 N/A CYS 111.A N LEU 107.A O no hydrogen 3.037 N/A CYS 111.A SG LEU 143.A O no hydrogen 4.031 N/A SER 112.A N THR 109.A O no hydrogen 3.191 N/A GLN 114.A N HIS 110.A O no hydrogen 2.952 N/A GLN 114.A NE2 LEU 137.A O no hydrogen 2.907 N/A LEU 115.A N CYS 111.A O no hydrogen 2.926 N/A MET 116.A N SER 112.A O no hydrogen 3.446 N/A LEU 117.A N TYR 113.A O no hydrogen 2.994 N/A ALA 120.A N LEU 117.A O no hydrogen 2.875 N/A ILE 121.A N LEU 89.A O no hydrogen 3.301 N/A ALA 122.A N PHE 135.A O no hydrogen 2.876 N/A ILE 123.A N TRP 91.A O no hydrogen 2.866 N/A VAL 124.A N GLY 133.A O no hydrogen 2.868 N/A MET 125.A N HIS 93.A O no hydrogen 2.928 N/A ALA 126.A N THR 131.A O no hydrogen 2.843 N/A SER 128.A OG THR 97.A O no hydrogen 3.201 N/A LYS 129.A N ALA 126.A O no hydrogen 2.919 N/A ASN 130.A N PRO 127.A O no hydrogen 3.112 N/A THR 131.A N ALA 126.A O no hydrogen 3.185 N/A GLY 133.A N VAL 124.A O no hydrogen 3.004 N/A PHE 135.A N ALA 122.A O no hydrogen 2.808 N/A ARG 136.A N THR 164.A O no hydrogen 3.064 N/A ARG 136.A NH1 GLU 7.A OE1 no hydrogen 2.888 N/A ARG 136.A NH2 GLU 7.A OE1 no hydrogen 3.229 N/A ARG 136.A NH2 GLU 7.A OE2 no hydrogen 2.660 N/A LEU 137.A N GLN 114.A OE1 no hydrogen 2.776 N/A LEU 138.A N VAL 162.A O no hydrogen 2.862 N/A ASP 139.A N GLU 7.A OE1 no hydrogen 2.885 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.699 N/A LEU 143.A N LEU 138.A O no hydrogen 3.164 N/A GLN 144.A N PRO 140.A O no hydrogen 3.009 N/A THR 145.A N GLU 141.A O no hydrogen 2.992 N/A THR 145.A OG1 GLU 141.A O no hydrogen 3.099 N/A ILE 146.A N GLY 142.A O no hydrogen 3.024 N/A VAL 147.A N LEU 143.A O no hydrogen 2.851 N/A LYS 148.A N GLN 144.A O no hydrogen 2.925 N/A CYS 149.A N ILE 146.A O no hydrogen 3.157 N/A CYS 149.A SG HIS 108.A NE2 no hydrogen 3.782 N/A CYS 149.A SG HIS 156.A NE2 no hydrogen 3.302 N/A CYS 149.A SG HIS 158.A NE2 no hydrogen 3.417 N/A ARG 150.A NH1 CYS 149.A O no hydrogen 3.239 N/A LYS 151.A NZ PRO 157.A O no hydrogen 2.960 N/A LYS 151.A NZ GLU 159.A OE1 no hydrogen 2.955 N/A LYS 151.A NZ GLU 159.A OE2 no hydrogen 3.210 N/A HIS 156.A N SER 104.A OG no hydrogen 3.395 N/A HIS 156.A ND1 GLY 153.A O no hydrogen 2.988 N/A HIS 156.A NE2 HIS 158.A NE2 no hydrogen 3.053 N/A LYS 161.A NZ TYR 163.A O no hydrogen 3.156 N/A THR 164.A N ARG 136.A O no hydrogen 2.976 N/A THR 164.A OG1 MET 165.A O no hydrogen 3.442 N/A VAL 166.A N ILE 134.A O no hydrogen 2.796 N/A GLN 168.A NE2 VAL 172.A O no hydrogen 3.630 N/A HIS 171.A N ALA 167.A O no hydrogen 2.916 N/A HIS 171.A NE2 GLU 119.A O no hydrogen 2.720 N/A VAL 172.A N ALA 167.A O no hydrogen 2.882 N/A ARG 173.A N ILE 15.A O no hydrogen 3.021 N/A ILE 175.A N LEU 17.A O no hydrogen 2.924 N/A GLN 180.A N THR 55.A O no hydrogen 3.151 N/A GLN 180.A NE2 THR 55.A O no hydrogen 2.775 N/A VAL 182.A N LEU 57.A O no hydrogen 2.879 N/A LEU 184.A N ILE 59.A O no hydrogen 2.815 N/A ARG 185.A N ASP 183.A OD1 no hydrogen 2.898 N/A ARG 185.A NE ASP 183.A OD1 no hydrogen 2.896 N/A ARG 185.A NE ASP 183.A OD2 no hydrogen 3.251 N/A ARG 185.A NH2 VAL 28.A O no hydrogen 3.459 N/A ARG 185.A NH2 ASP 183.A OD2 no hydrogen 2.759 N/A