Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pgv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 197.A O no hydrogen 2.981 N/A VAL 4.A N ASN 36.A O no hydrogen 2.768 N/A ALA 5.A N ILE 199.A O no hydrogen 2.744 N/A SER 6.A N VAL 38.A O no hydrogen 2.947 N/A SER 6.A OG ASP 7.A O no hydrogen 2.906 N/A ASP 7.A N PHE 201.A O no hydrogen 2.916 N/A THR 11.A N LEU 8.A O no hydrogen 3.074 N/A THR 11.A OG1 ASP 7.A OD2 no hydrogen 2.849 N/A THR 11.A OG1 ASP 203.A OD1 no hydrogen 3.364 N/A LEU 12.A N ASP 7.A O no hydrogen 3.338 N/A LEU 13.A N LEU 8.A O no hydrogen 2.889 N/A SER 14.A N PHE 18.A O no hydrogen 2.839 N/A SER 14.A OG PHE 18.A O no hydrogen 3.352 N/A ASP 16.A N SER 14.A OG no hydrogen 3.279 N/A HIS 17.A N SER 14.A O no hydrogen 2.765 N/A PHE 18.A N SER 14.A OG no hydrogen 3.166 N/A THR 20.A OG1 ASP 239.A OD1 no hydrogen 3.295 N/A THR 20.A OG1 ASP 239.A OD2 no hydrogen 2.567 N/A ALA 23.A N THR 20.A OG1 no hydrogen 3.085 N/A LYS 24.A N THR 20.A O no hydrogen 2.877 N/A GLU 25.A N PRO 21.A O no hydrogen 2.882 N/A THR 26.A N TYR 22.A O no hydrogen 3.054 N/A THR 26.A OG1 TYR 22.A O no hydrogen 2.699 N/A LEU 27.A N ALA 23.A O no hydrogen 3.056 N/A LYS 28.A N LYS 24.A O no hydrogen 3.164 N/A LEU 29.A N GLU 25.A O no hydrogen 2.882 N/A LEU 30.A N THR 26.A O no hydrogen 3.030 N/A THR 31.A N LEU 27.A O no hydrogen 2.993 N/A THR 31.A OG1 LEU 27.A O no hydrogen 2.750 N/A ALA 32.A N LYS 28.A O no hydrogen 2.975 N/A ARG 33.A N LEU 30.A O no hydrogen 3.056 N/A ARG 33.A NH1 LEU 29.A O no hydrogen 2.940 N/A GLY 34.A N THR 31.A O no hydrogen 3.046 N/A ILE 35.A N LEU 30.A O no hydrogen 2.984 N/A ASN 36.A N GLN 2.A O no hydrogen 2.868 N/A ASN 36.A ND2 GLN 2.A O no hydrogen 3.349 N/A VAL 38.A N VAL 4.A O no hydrogen 2.817 N/A PHE 39.A N TYR 60.A O no hydrogen 3.227 N/A ALA 40.A N SER 6.A O no hydrogen 3.024 N/A THR 41.A N ILE 61.A O no hydrogen 2.850 N/A ARG 43.A N THR 41.A OG1 no hydrogen 2.988 N/A ARG 43.A NE ASP 9.A OD2 no hydrogen 2.914 N/A ARG 43.A NH1 ASP 47.A O no hydrogen 3.068 N/A ARG 43.A NH2 ASP 9.A OD1 no hydrogen 2.592 N/A ARG 43.A NH2 ASP 9.A OD2 no hydrogen 3.538 N/A HIS 44.A NE2 GLU 106.A O no hydrogen 2.679 N/A ILE 46.A N HIS 44.A ND1 no hydrogen 3.042 N/A ASP 47.A N HIS 44.A O no hydrogen 2.908 N/A VAL 48.A N TYR 45.A O no hydrogen 3.064 N/A GLY 49.A N ILE 46.A O no hydrogen 3.432 N/A ARG 52.A N VAL 48.A O no hydrogen 2.886 N/A ARG 52.A NE.A TYR 45.A O no hydrogen 3.442 N/A ARG 52.A NH2.A TYR 45.A O no hydrogen 3.168 N/A ARG 52.A NH2.B SER 71.A O no hydrogen 3.428 N/A ASP 53.A N GLY 49.A O no hydrogen 3.033 N/A ASN 54.A N ILE 51.A O no hydrogen 2.978 N/A ASN 54.A ND2 GLN 50.A O no hydrogen 2.871 N/A LEU 55.A N ARG 52.A O no hydrogen 3.443 N/A ARG 58.A NH1 ASP 72.A OD1 no hydrogen 3.101 N/A ARG 58.A NH2 ASP 72.A OD1 no hydrogen 2.872 N/A ARG 58.A NH2 ASP 72.A OD2 no hydrogen 2.943 N/A SER 59.A OG.B PHE 37.A O no hydrogen 3.246 N/A THR 62.A N ARG 67.A O no hydrogen 3.076 N/A SER 63.A N ARG 43.A O no hydrogen 2.939 N/A SER 63.A OG SER 137.A OG no hydrogen 3.300 N/A ASN 64.A N THR 41.A O no hydrogen 3.037 N/A GLY 65.A N THR 62.A O no hydrogen 3.017 N/A ALA 66.A N SER 63.A O no hydrogen 3.227 N/A ARG 67.A N THR 62.A O no hydrogen 3.335 N/A ARG 67.A NH1 ALA 66.A O no hydrogen 3.480 N/A ARG 67.A NH1 ASN 80.A OD1 no hydrogen 2.620 N/A ARG 67.A NH2 ASN 80.A OD1 no hydrogen 3.122 N/A ARG 67.A NH2 GLU 106.A OE1 no hydrogen 3.261 N/A ARG 67.A NH2 GLY 135.A O no hydrogen 3.550 N/A VAL 68.A N PHE 77.A O no hydrogen 3.391 N/A ASP 70.A N GLN 74.A O no hydrogen 2.966 N/A ASP 72.A N ASP 70.A OD1 no hydrogen 2.948 N/A GLY 73.A N ASP 70.A O no hydrogen 3.071 N/A GLN 74.A N ASP 70.A OD1 no hydrogen 2.954 N/A GLN 74.A NE2.A ASP 70.A OD2 no hydrogen 2.753 N/A ILE 76.A N VAL 68.A O no hydrogen 2.721 N/A HIS 79.A N ALA 66.A O no hydrogen 2.710 N/A LEU 81.A N ILE 136.A O no hydrogen 2.898 N/A ARG 83.A NE GLN 134.A OE1 no hydrogen 3.390 N/A ALA 86.A N ASP 82.A O no hydrogen 2.914 N/A ALA 87.A N ARG 83.A O no hydrogen 2.954 N/A ASP 88.A N ASP 84.A O no hydrogen 3.228 N/A LEU 89.A N ILE 85.A O no hydrogen 2.836 N/A PHE 90.A N ALA 86.A O no hydrogen 2.969 N/A GLU 91.A N ASP 88.A O no hydrogen 3.098 N/A ARG 94.A N GLU 91.A O no hydrogen 3.259 N/A ARG 94.A NH1 GLU 91.A OE2 no hydrogen 3.002 N/A ARG 94.A NH1 TYR 126.A O no hydrogen 3.252 N/A ARG 94.A NH2 TYR 126.A O no hydrogen 2.592 N/A ASP 96.A N VAL 93.A O no hydrogen 3.257 N/A LYS 98.A N ASP 96.A OD1 no hydrogen 3.066 N/A LYS 98.A NZ ASP 145.A OD2 no hydrogen 2.763 N/A ILE 99.A N ASP 96.A O no hydrogen 3.169 N/A VAL 100.A N THR 142.A O no hydrogen 2.900 N/A THR 101.A N ASN 111.A OD1 no hydrogen 2.776 N/A ASN 102.A N PHE 140.A O no hydrogen 2.783 N/A ASN 102.A ND2 PHE 140.A O no hydrogen 3.269 N/A ASN 102.A ND2 THR 142.A OG1 no hydrogen 3.256 N/A VAL 103.A N TYR 110.A O no hydrogen 2.780 N/A TYR 104.A N LYS 138.A O no hydrogen 3.002 N/A ARG 105.A N GLU 108.A O no hydrogen 2.918 N/A ARG 105.A NE ASP 132.A O no hydrogen 3.159 N/A ARG 105.A NH2 ASP 132.A OD2 no hydrogen 2.694 N/A GLU 106.A N GLY 135.A O no hydrogen 2.895 N/A GLU 108.A N ARG 105.A O no hydrogen 2.798 N/A TRP 109.A NE1 ASN 102.A OD1 no hydrogen 3.151 N/A TYR 110.A N VAL 103.A O no hydrogen 2.750 N/A TYR 110.A OH GLU 108.A OE1 no hydrogen 2.663 N/A ARG 112.A NH1 ASP 96.A O no hydrogen 3.369 N/A ARG 112.A NH1 ILE 99.A O no hydrogen 2.911 N/A ARG 112.A NH2 ARG 94.A O no hydrogen 2.915 N/A ARG 112.A NH2 ASP 96.A O no hydrogen 2.770 N/A HIS 113.A ND1 TYR 123.A OH no hydrogen 2.775 N/A ARG 114.A NH2 ASN 102.A OD1 no hydrogen 2.923 N/A GLU 118.A N PHE 115.A O no hydrogen 3.429 N/A TYR 123.A OH HIS 113.A ND1 no hydrogen 2.775 N/A LYS 124.A N TRP 109.A O no hydrogen 2.874 N/A LYS 124.A NZ GLU 108.A OE2 no hydrogen 2.835 N/A TYR 126.A OH PHE 90.A O no hydrogen 2.729 N/A GLU 130.A N GLU 127.A O no hydrogen 2.968 N/A GLN 134.A N ASP 132.A OD2 no hydrogen 3.221 N/A SER 137.A N TYR 104.A O no hydrogen 3.034 N/A SER 137.A OG SER 63.A OG no hydrogen 3.300 N/A SER 137.A OG TYR 104.A O no hydrogen 3.266 N/A LYS 138.A NZ GLY 42.A O no hydrogen 2.643 N/A LYS 138.A NZ GLU 174.A OE1 no hydrogen 2.576 N/A VAL 139.A N VAL 175.A O no hydrogen 3.072 N/A PHE 140.A N ASN 102.A O no hydrogen 2.824 N/A PHE 141.A N LEU 173.A O no hydrogen 2.726 N/A THR 142.A N VAL 100.A O no hydrogen 2.945 N/A THR 142.A OG1 VAL 100.A O no hydrogen 3.561 N/A CYS 143.A N THR 171.A O no hydrogen 2.978 N/A CYS 143.A SG LYS 98.A O no hydrogen 3.275 N/A CYS 143.A SG ASP 145.A O no hydrogen 3.318 N/A HIS 146.A ND1 LEU 170.A O no hydrogen 2.707 N/A HIS 148.A N ASP 145.A O no hydrogen 3.153 N/A HIS 148.A N ASP 145.A OD1 no hydrogen 3.357 N/A HIS 148.A NE2 ASP 96.A OD2 no hydrogen 2.697 N/A LEU 149.A N HIS 146.A O no hydrogen 2.982 N/A GLU 153.A N LEU 149.A O no hydrogen 2.990 N/A GLN 154.A N LEU 150.A O no hydrogen 3.208 N/A ALA 155.A N PRO 151.A O no hydrogen 2.987 N/A ALA 157.A N GLN 154.A O no hydrogen 3.044 N/A ARG 158.A N ALA 155.A O no hydrogen 2.879 N/A GLY 160.A N ASN 156.A O no hydrogen 2.885 N/A ARG 162.A N TRP 159.A O no hydrogen 3.129 N/A ARG 162.A NH1 ASP 84.A OD2 no hydrogen 2.942 N/A ARG 162.A NH2 ASP 82.A OD2 no hydrogen 2.813 N/A ARG 162.A NH2 ASP 84.A OD1 no hydrogen 2.793 N/A ARG 162.A NH2 ASP 84.A OD2 no hydrogen 3.198 N/A VAL 163.A N GLY 160.A O no hydrogen 3.265 N/A ASN 164.A ND2 VAL 179.A O no hydrogen 2.727 N/A SER 166.A N GLU 174.A O no hydrogen 2.809 N/A SER 166.A OG ASN 164.A OD1 no hydrogen 3.288 N/A SER 168.A N CYS 172.A O no hydrogen 3.034 N/A SER 168.A OG CYS 172.A O no hydrogen 3.497 N/A SER 168.A OG GLU 174.A OE2 no hydrogen 2.764 N/A THR 169.A N SER 168.A OG no hydrogen 2.787 N/A THR 169.A OG1 THR 171.A OG1 no hydrogen 3.091 N/A THR 171.A N THR 169.A OG1 no hydrogen 3.357 N/A THR 171.A OG1 THR 169.A OG1 no hydrogen 3.091 N/A CYS 172.A N THR 169.A O no hydrogen 3.439 N/A CYS 172.A SG GLU 174.A OE2 no hydrogen 3.404 N/A LEU 173.A N PHE 141.A O no hydrogen 2.858 N/A GLU 174.A N SER 166.A O no hydrogen 2.727 N/A VAL 175.A N VAL 139.A O no hydrogen 2.711 N/A GLY 177.A N ARG 162.A O no hydrogen 2.911 N/A VAL 179.A N ALA 176.A O no hydrogen 3.028 N/A SER 180.A OG HIS 183.A ND1 no hydrogen 2.603 N/A LYS 181.A NZ ALA 40.A O no hydrogen 3.161 N/A LYS 181.A NZ ASP 206.A OD1 no hydrogen 2.713 N/A HIS 183.A N SER 180.A OG no hydrogen 3.127 N/A HIS 183.A ND1 SER 180.A OG no hydrogen 2.603 N/A ALA 184.A N SER 180.A O no hydrogen 3.007 N/A LEU 185.A N LYS 181.A O no hydrogen 2.798 N/A GLU 186.A N GLY 182.A O no hydrogen 3.007 N/A ALA 187.A N HIS 183.A O no hydrogen 3.166 N/A VAL 188.A N ALA 184.A O no hydrogen 2.853 N/A ALA 189.A N LEU 185.A O no hydrogen 2.777 N/A LYS 190.A N GLU 186.A O no hydrogen 3.128 N/A GLY 192.A N LYS 190.A O no hydrogen 2.972 N/A TYR 193.A N ALA 189.A O no hydrogen 2.732 N/A THR 194.A N ASP 197.A OD2 no hydrogen 2.927 N/A THR 194.A OG1 ASP 197.A OD2 no hydrogen 3.404 N/A ASP 197.A N THR 194.A O no hydrogen 3.041 N/A CYS 198.A N LEU 195.A O no hydrogen 2.907 N/A CYS 198.A SG THR 194.A O no hydrogen 3.498 N/A ILE 199.A N VAL 3.A O no hydrogen 3.010 N/A ALA 200.A N LYS 213.A O no hydrogen 2.704 N/A PHE 201.A N ALA 5.A O no hydrogen 2.993 N/A GLY 202.A N CYS 215.A O no hydrogen 3.273 N/A ASP 203.A N ASP 206.A OD2 no hydrogen 2.953 N/A GLY 204.A N ASP 206.A OD2 no hydrogen 3.001 N/A ASN 205.A ND2 ASN 64.A OD1 no hydrogen 2.797 N/A ASP 206.A N GLY 204.A O no hydrogen 2.904 N/A GLU 208.A N GLU 208.A OE1 no hydrogen 2.864 N/A SER 210.A N ALA 207.A O no hydrogen 3.068 N/A SER 210.A OG ALA 207.A O no hydrogen 2.824 N/A SER 210.A OG GLU 208.A O no hydrogen 3.312 N/A GLY 212.A N LEU 195.A O no hydrogen 2.817 N/A LYS 213.A N CYS 198.A O no hydrogen 3.055 N/A LYS 213.A NZ GLU 231.A OE1 no hydrogen 2.962 N/A CYS 215.A N ALA 200.A O no hydrogen 2.785 N/A CYS 215.A SG GLU 231.A OE1 no hydrogen 3.896 N/A CYS 215.A SG TYR 244.A OH no hydrogen 3.806 N/A ILE 216.A N GLU 231.A O no hydrogen 2.770 N/A ALA 217.A N GLY 234.A O no hydrogen 3.046 N/A ASN 218.A ND2 GLY 10.A O no hydrogen 2.730 N/A HIS 220.A N ASP 203.A O no hydrogen 2.989 N/A GLN 221.A NE2 ASP 225.A OD1 no hydrogen 2.889 N/A ARG 222.A NH1 GLU 153.A OE1 no hydrogen 2.977 N/A ARG 222.A NH2 GLU 153.A OE1 no hydrogen 3.346 N/A ARG 222.A NH2 GLU 153.A OE2 no hydrogen 2.842 N/A LEU 223.A N HIS 220.A O no hydrogen 3.147 N/A LYS 224.A N HIS 220.A O no hydrogen 3.397 N/A LYS 224.A NZ ALA 217.A O no hydrogen 2.759 N/A ASP 225.A N GLN 221.A O no hydrogen 2.788 N/A LEU 226.A N ARG 222.A O no hydrogen 2.954 N/A HIS 227.A N LEU 223.A O no hydrogen 3.081 N/A HIS 227.A ND1 GLU 229.A OE2 no hydrogen 2.912 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.799 N/A LEU 230.A N HIS 227.A O no hydrogen 3.267 N/A ILE 233.A N ILE 216.A O no hydrogen 2.717 N/A SER 235.A OG ASN 218.A OD1 no hydrogen 3.535 N/A SER 235.A OG ASN 236.A OD1 no hydrogen 3.540 N/A ASN 236.A N ASN 218.A OD1 no hydrogen 3.001 N/A ASN 236.A ND2 LEU 13.A O no hydrogen 2.829 N/A ALA 237.A N SER 235.A OG no hydrogen 3.194 N/A ASP 238.A N SER 235.A O no hydrogen 2.951 N/A ASP 239.A N ASN 236.A O no hydrogen 2.962 N/A ALA 240.A N SER 235.A O no hydrogen 3.363 N/A ARG 243.A N ASP 239.A O no hydrogen 3.287 N/A ARG 243.A NE ASP 238.A O no hydrogen 2.745 N/A TYR 244.A N ALA 240.A O no hydrogen 2.912 N/A TYR 244.A OH GLU 231.A OE1 no hydrogen 2.735 N/A LEU 245.A N VAL 241.A O no hydrogen 2.956 N/A ARG 246.A N PRO 242.A O no hydrogen 2.904 N/A ARG 246.A NE THR 26.A OG1 no hydrogen 2.850 N/A ARG 246.A NH2 TYR 22.A O no hydrogen 3.089 N/A ARG 246.A NH2 THR 26.A OG1 no hydrogen 3.287 N/A LYS 247.A N ARG 243.A O no hydrogen 3.049 N/A LEU 248.A N TYR 244.A O no hydrogen 2.947 N/A TYR 249.A N LEU 245.A O no hydrogen 2.774 N/A TYR 249.A OH TYR 1.A O no hydrogen 2.625 N/A LEU 250.A N ARG 246.A O no hydrogen 2.846 N/A