Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pwp_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N ASP 26.A OD2 no hydrogen 2.721 N/A ALA 2.A N ASP 26.A OD2 no hydrogen 2.541 N/A THR 5.A N ALA 24.A O no hydrogen 3.066 N/A GLN 6.A NE2 TYR 89.A O no hydrogen 2.960 N/A GLN 6.A NE2 THR 110.A OG1 no hydrogen 3.392 N/A THR 7.A N GLN 22.A O no hydrogen 2.943 N/A THR 7.A OG1 GLN 6.A O no hydrogen 3.078 N/A LYS 9.A NZ TYR 216.A OH no hydrogen 3.316 N/A GLN 11.A N ARG 111.A O no hydrogen 3.060 N/A VAL 12.A N GLN 11.A OE1 no hydrogen 3.162 N/A LEU 13.A N THR 113.A O no hydrogen 2.812 N/A LYS 14.A N GLN 17.A OE1 no hydrogen 2.660 N/A THR 15.A OG1 THR 115A.A O no hydrogen 3.274 N/A GLY 16.A N ALA 81.A O no hydrogen 3.041 N/A GLN 17.A N LYS 14.A O no hydrogen 3.425 N/A MET 19.A N LEU 78.A O no hydrogen 3.112 N/A THR 20.A OG1 GLN 22.A OE1 no hydrogen 2.522 N/A LEU 21.A N LEU 76.A O no hydrogen 2.735 N/A GLN 22.A N THR 7.A O no hydrogen 2.903 N/A CYS 23.A SG THR 5.A O no hydrogen 3.872 N/A ALA 24.A N THR 5.A O no hydrogen 3.051 N/A GLN 25.A NE2 HIS 29.A O no hydrogen 3.510 N/A GLN 25.A NE2 THR 71.A O no hydrogen 3.123 N/A MET 27.A N GLN 25.A OE1 no hydrogen 3.108 N/A HIS 29.A N GLN 25.A OE1 no hydrogen 2.706 N/A HIS 29.A ND1 SER 93.A OG no hydrogen 2.479 N/A GLU 30.A N PRO 95.A O no hydrogen 3.126 N/A TYR 31.A N ARG 94.A O no hydrogen 3.179 N/A MET 32.A N SER 49.A O no hydrogen 2.960 N/A SER 33.A N ALA 92.A O no hydrogen 2.962 N/A TRP 34.A N HIS 47.A O no hydrogen 3.015 N/A TRP 34.A NE1 PHE 74.A O no hydrogen 2.598 N/A TYR 35.A N PHE 90.A O no hydrogen 2.837 N/A ARG 36.A N ARG 44.A O no hydrogen 2.856 N/A ARG 36.A NE ASP 38.A OD1 no hydrogen 2.827 N/A ARG 36.A NH1 TYR 64.A OH no hydrogen 2.446 N/A ARG 36.A NH1 SER 84.A O no hydrogen 2.973 N/A ARG 36.A NH2 ASP 38.A OD1 no hydrogen 3.155 N/A ARG 36.A NH2 SER 84.A O no hydrogen 2.749 N/A GLN 37.A N VAL 88.A O no hydrogen 2.820 N/A MET 41.A N ASP 38.A O no hydrogen 2.832 N/A ARG 44.A N ARG 36.A O no hydrogen 2.747 N/A ARG 44.A NH2 ASP 38.A OD1 no hydrogen 3.194 N/A LEU 45.A N GLU 59.A OE1 no hydrogen 2.964 N/A ILE 46.A N TRP 34.A O no hydrogen 2.837 N/A HIS 47.A NE2 TYR 64.A O no hydrogen 3.071 N/A TYR 48.A N ASP 56.A O no hydrogen 2.936 N/A SER 49.A N MET 32.A O no hydrogen 2.942 N/A SER 49.A OG ILE 54.A O no hydrogen 2.704 N/A GLY 53.A N ARG 68.A O no hydrogen 2.751 N/A ILE 54.A N GLY 51.A O no hydrogen 3.458 N/A ASP 56.A N TYR 48.A O no hydrogen 2.769 N/A GLN 57.A N ASP 56.A OD1 no hydrogen 2.862 N/A GLY 58.A N ILE 46.A O no hydrogen 2.841 N/A GLU 59.A N LEU 45.A O no hydrogen 2.725 N/A VAL 60.A N LEU 45.A O no hydrogen 3.058 N/A TYR 64.A N PRO 61.A O no hydrogen 2.986 N/A TYR 64.A OH TYR 89.A OH no hydrogen 2.727 N/A ASN 65.A N ARG 77.A O no hydrogen 2.652 N/A ARG 68.A NE THR 71.A O no hydrogen 3.402 N/A ARG 68.A NH1 GLU 30.A O no hydrogen 2.546 N/A ARG 68.A NH1 SER 49.A OG no hydrogen 2.743 N/A ARG 68.A NH2 GLU 30.A O no hydrogen 2.995 N/A ARG 68.A NH2 THR 71.A O no hydrogen 2.862 N/A THR 70.A OG1 ASP 73.A OD2 no hydrogen 3.133 N/A THR 71.A OG1 GLU 72.A OE1 no hydrogen 3.140 N/A ASP 73.A N THR 70.A OG1 no hydrogen 3.410 N/A PHE 74.A N CYS 23.A O no hydrogen 2.971 N/A LEU 76.A N LEU 21.A O no hydrogen 3.057 N/A ARG 77.A N ASN 65.A O no hydrogen 2.531 N/A LEU 78.A N MET 19.A O no hydrogen 2.998 N/A ALA 81.A N GLN 17.A O no hydrogen 2.929 N/A ALA 82.A N GLN 85.A OE1 no hydrogen 2.799 N/A GLN 85.A N ALA 82.A O no hydrogen 2.944 N/A GLN 85.A NE2 GLY 63.A O no hydrogen 3.550 N/A THR 86.A OG1 PRO 83.A O no hydrogen 3.275 N/A SER 87.A N LEU 112.A O no hydrogen 3.209 N/A SER 87.A OG GLN 37.A O no hydrogen 2.683 N/A SER 87.A OG ASP 38.A OD1 no hydrogen 2.774 N/A SER 87.A OG ASP 38.A OD2 no hydrogen 2.839 N/A VAL 88.A N GLN 37.A O no hydrogen 3.478 N/A TYR 89.A N THR 110.A O no hydrogen 2.807 N/A TYR 89.A OH TYR 64.A OH no hydrogen 2.727 N/A TYR 89.A OH GLN 85.A O no hydrogen 2.504 N/A PHE 90.A N TYR 35.A O no hydrogen 2.935 N/A CYS 91.A N GLN 6.A OE1 no hydrogen 3.099 N/A CYS 91.A SG SER 33.A O no hydrogen 3.947 N/A ALA 92.A N SER 33.A O no hydrogen 2.937 N/A SER 93.A N TYR 105.A O no hydrogen 2.897 N/A SER 93.A OG HIS 29.A ND1 no hydrogen 2.479 N/A ARG 94.A N TYR 31.A O no hydrogen 2.732 N/A LEU 97.A N GLU 30.A OE1 no hydrogen 3.269 N/A ALA 98.A N PRO 95.A O no hydrogen 3.358 N/A GLN 104.A NE2 TYR 35.A OH no hydrogen 2.820 N/A TYR 105.A N SER 93.A O no hydrogen 3.012 N/A GLY 107.A N CYS 91.A O no hydrogen 2.711 N/A GLY 109.A N GLN 6.A OE1 no hydrogen 3.136 N/A THR 110.A N TYR 89.A O no hydrogen 3.032 N/A THR 110.A OG1 PRO 8.A O no hydrogen 2.559 N/A ARG 111.A N LYS 9.A O no hydrogen 2.896 N/A ARG 111.A NH2 PRO 108.A O no hydrogen 3.449 N/A LEU 112.A N SER 87.A O no hydrogen 2.972 N/A THR 113.A N GLN 11.A O no hydrogen 2.926 N/A VAL 114.A N THR 86.A OG1 no hydrogen 2.985 N/A LYS 119.A N ASP 117.A OD1 no hydrogen 3.228 N/A ASN 120.A N ASP 117.A O no hydrogen 3.437 N/A ASN 120.A ND2 ASP 117.A O no hydrogen 2.501 N/A VAL 121.A N LEU 118.A O no hydrogen 3.324 N/A PHE 122.A N TYR 152.A O no hydrogen 2.924 N/A GLU 125.A N THR 149.A O no hydrogen 2.902 N/A ALA 127.A N LEU 147.A O no hydrogen 2.910 N/A PHE 129.A N VAL 145.A O no hydrogen 2.743 N/A GLU 135.A N SER 132.A O no hydrogen 3.292 N/A GLU 135.A N SER 132.A OG no hydrogen 3.097 N/A SER 137.A N GLU 133.A O no hydrogen 3.163 N/A HIS 138.A N GLU 135.A O no hydrogen 3.172 N/A THR 139.A N GLU 135.A O no hydrogen 2.808 N/A THR 139.A OG1 GLU 135.A O no hydrogen 2.950 N/A GLN 140.A N ILE 136.A O no hydrogen 3.249 N/A ALA 142.A N VAL 197.A O no hydrogen 2.589 N/A THR 143.A N GLU 135.A OE1 no hydrogen 2.829 N/A THR 143.A OG1 GLU 135.A OE2 no hydrogen 2.650 N/A LEU 144.A N LEU 195.A O no hydrogen 2.662 N/A VAL 145.A N PHE 129.A O no hydrogen 3.303 N/A CYS 146.A N SER 193.A O no hydrogen 3.099 N/A CYS 146.A SG ALA 127.A O no hydrogen 3.732 N/A LEU 147.A N ALA 127.A O no hydrogen 2.894 N/A ALA 148.A N LEU 191.A O no hydrogen 2.873 N/A THR 149.A N GLU 125.A O no hydrogen 2.954 N/A GLY 150.A N GLU 180.A OE2 no hydrogen 2.812 N/A PHE 151.A N TYR 189.A O no hydrogen 3.129 N/A TYR 152.A N PHE 122.A O no hydrogen 2.939 N/A HIS 155.A N PRO 153.A O no hydrogen 2.679 N/A GLU 157.A N GLN 214.A O no hydrogen 3.041 N/A SER 159.A N GLN 212.A O no hydrogen 2.792 N/A TRP 160.A NE1 SER 193.A OG no hydrogen 2.966 N/A TRP 161.A N ARG 210.A O no hydrogen 2.636 N/A TRP 161.A NE1 SER 159.A OG no hydrogen 2.991 N/A VAL 162.A N LYS 165.A O no hydrogen 2.717 N/A ASN 163.A N HIS 208.A O no hydrogen 3.063 N/A ASN 163.A ND2 ASN 207.A OD1 no hydrogen 2.724 N/A LYS 165.A N VAL 162.A O no hydrogen 3.186 N/A VAL 167.A N TRP 160.A O no hydrogen 2.935 N/A VAL 171.A N HIS 168.A O no hydrogen 3.445 N/A SER 172.A N ARG 194.A O no hydrogen 3.102 N/A THR 173.A OG1 SER 193.A OG no hydrogen 2.864 N/A ASP 174.A N SER 192.A O no hydrogen 2.929 N/A LEU 178.A N ALA 190.A O no hydrogen 2.705 N/A LYS 179.A NZ LEU 184.A O no hydrogen 3.383 N/A GLU 180.A N ARG 188.A O no hydrogen 2.784 N/A GLN 181.A N SER 187.A OG no hydrogen 3.261 N/A SER 187.A OG GLN 181.A O no hydrogen 3.099 N/A SER 187.A OG ARG 188.A O no hydrogen 3.166 N/A ARG 188.A NE GLY 150.A O no hydrogen 2.902 N/A ARG 188.A NH1 GLY 150.A O no hydrogen 3.409 N/A TYR 189.A N PHE 151.A O no hydrogen 2.634 N/A ALA 190.A N LEU 178.A O no hydrogen 2.968 N/A LEU 191.A N ALA 148.A O no hydrogen 2.780 N/A SER 192.A N ASP 174.A OD2 no hydrogen 2.855 N/A SER 192.A OG ASP 174.A OD1 no hydrogen 3.359 N/A SER 192.A OG ASP 174.A OD2 no hydrogen 2.694 N/A SER 193.A N CYS 146.A O no hydrogen 3.191 N/A SER 193.A OG THR 173.A OG1 no hydrogen 2.864 N/A ARG 194.A N SER 172.A O no hydrogen 3.123 N/A ARG 194.A NH1 ASP 174.A OD1 no hydrogen 3.547 N/A ARG 194.A NH2 ASP 174.A OD1 no hydrogen 3.551 N/A LEU 195.A N LEU 144.A O no hydrogen 2.642 N/A ARG 196.A N GLY 170.A O no hydrogen 3.304 N/A ARG 196.A NE GLU 135.A OE2 no hydrogen 3.280 N/A ARG 196.A NH2 GLU 135.A OE2 no hydrogen 2.990 N/A VAL 197.A N ALA 142.A O no hydrogen 2.859 N/A TRP 202.A N SER 198.A O no hydrogen 2.956 N/A GLN 203.A N ALA 199.A O no hydrogen 2.871 N/A ARG 206.A N ASP 204.A OD1 no hydrogen 3.442 N/A ASN 207.A N ASP 204.A O no hydrogen 3.270 N/A ASN 207.A ND2 PHE 201.A O no hydrogen 2.659 N/A HIS 208.A N ASN 163.A OD1 no hydrogen 2.773 N/A HIS 208.A NE2 GLU 239.A OE1 no hydrogen 2.775 N/A PHE 209.A N ALA 240.A O no hydrogen 2.840 N/A ARG 210.A N TRP 161.A O no hydrogen 2.702 N/A ARG 210.A NE SER 237.A OG no hydrogen 3.226 N/A CYS 211.A N ALA 238.A O no hydrogen 3.058 N/A GLN 212.A N SER 159.A O no hydrogen 2.698 N/A VAL 213.A N VAL 236.A O no hydrogen 2.966 N/A GLN 214.A N GLU 157.A O no hydrogen 2.828 N/A GLN 214.A NE2 PHE 215.A O no hydrogen 3.365 N/A PHE 215.A N GLN 234.A O no hydrogen 2.770 N/A TYR 216.A N HIS 155.A O no hydrogen 3.198 N/A TYR 216.A OH GLU 157.A OE1 no hydrogen 2.742 N/A GLY 217.A N THR 233.A OG1 no hydrogen 2.938 N/A LEU 218.A N PRO 231.A O no hydrogen 3.088 N/A SER 219.A N ASP 222.A OD1 no hydrogen 2.642 N/A ASN 221.A N SER 219.A OG no hydrogen 2.931 N/A ASP 222.A N SER 219.A O no hydrogen 3.375 N/A TRP 224.A NE1 ARG 228.A O no hydrogen 2.709 N/A ARG 228.A NH1 VAL 121.A O no hydrogen 2.866 N/A ARG 228.A NH2 VAL 121.A O no hydrogen 3.197 N/A VAL 232.A N LYS 230.A O no hydrogen 2.785 N/A THR 233.A N LEU 218.A O no hydrogen 3.291 N/A GLN 234.A N PHE 215.A O no hydrogen 3.023 N/A VAL 236.A N VAL 213.A O no hydrogen 3.047 N/A ALA 238.A N CYS 211.A O no hydrogen 3.273 N/A ALA 240.A N PHE 209.A O no hydrogen 2.982 N/A GLY 242.A N ASN 207.A O no hydrogen 2.746 N/A ARG 243.A N TRP 202.A O no hydrogen 3.171 N/A THR 115A.A N LEU 13.A O no hydrogen 2.887 N/A THR 115A.A OG1 ASP 117.A O no hydrogen 3.090 N/A