Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pio_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N PRO 1.A O no hydrogen 2.913 N/A VAL 6.A N ILE 2.A O no hydrogen 3.142 N/A LEU 7.A N PHE 3.A O no hydrogen 3.263 N/A GLU 8.A N LEU 4.A O no hydrogen 3.060 N/A ALA 9.A N ASN 5.A O no hydrogen 2.904 N/A ILE 10.A N VAL 6.A O no hydrogen 2.809 N/A ALA 17.A N ASP 97.A OD1 no hydrogen 2.899 N/A GLY 18.A N ASP 97.A OD2 no hydrogen 2.564 N/A HIS 19.A N ASP 97.A OD2 no hydrogen 3.054 N/A HIS 19.A ND1 SER 33.A OG no hydrogen 2.617 N/A ASN 21.A ND2 ASP 97.A O no hydrogen 2.878 N/A ASN 22.A N ASP 20.A OD1 no hydrogen 3.070 N/A ALA 29.A N SER 26.A OG no hydrogen 3.030 N/A LEU 30.A N SER 26.A O no hydrogen 3.135 N/A LEU 31.A N PHE 27.A O no hydrogen 3.056 N/A SER 32.A N ALA 28.A O no hydrogen 2.949 N/A SER 32.A OG ALA 28.A O no hydrogen 2.668 N/A SER 33.A N ALA 29.A O no hydrogen 2.866 N/A SER 33.A OG HIS 19.A ND1 no hydrogen 2.617 N/A SER 33.A OG ALA 29.A O no hydrogen 3.072 N/A LEU 34.A N LEU 30.A O no hydrogen 2.857 N/A ASN 35.A N LEU 31.A O no hydrogen 2.960 N/A ASN 35.A ND2 ASP 220.A O no hydrogen 2.903 N/A GLU 36.A N SER 32.A O no hydrogen 3.061 N/A LEU 37.A N SER 33.A O no hydrogen 2.915 N/A GLY 38.A N LEU 34.A O no hydrogen 2.944 N/A GLU 39.A N ASN 35.A O no hydrogen 2.981 N/A ARG 40.A N GLU 36.A O no hydrogen 2.889 N/A ARG 40.A NE GLU 36.A OE2 no hydrogen 2.834 N/A ARG 40.A NH1 CYS 16.A O no hydrogen 3.118 N/A GLN 41.A N LEU 37.A O no hydrogen 2.778 N/A LEU 42.A N GLY 38.A O no hydrogen 2.748 N/A VAL 43.A N GLU 39.A O no hydrogen 3.386 N/A HIS 44.A ND1 ARG 40.A O no hydrogen 3.335 N/A VAL 45.A N GLN 41.A O no hydrogen 2.861 N/A VAL 46.A N LEU 42.A O no hydrogen 2.860 N/A LYS 47.A N VAL 43.A O no hydrogen 3.276 N/A TRP 48.A N HIS 44.A O no hydrogen 2.820 N/A ALA 49.A N VAL 45.A O no hydrogen 2.849 N/A LYS 50.A N VAL 46.A O no hydrogen 3.081 N/A LYS 50.A NZ GLN 63.A OE1 no hydrogen 3.320 N/A ALA 51.A N TRP 48.A O no hydrogen 3.081 N/A LEU 52.A N ALA 49.A O no hydrogen 3.025 N/A PHE 55.A N LEU 52.A O no hydrogen 3.139 N/A ASN 57.A N GLY 54.A O no hydrogen 2.937 N/A LEU 58.A N PHE 55.A O no hydrogen 3.105 N/A ASP 61.A N HIS 59.A ND1 no hydrogen 2.679 N/A GLN 63.A N HIS 59.A O no hydrogen 2.957 N/A GLN 63.A NE2 LEU 58.A O no hydrogen 3.027 N/A MET 64.A N VAL 60.A O no hydrogen 3.318 N/A ALA 65.A N ASP 61.A O no hydrogen 3.105 N/A VAL 66.A N ASP 62.A O no hydrogen 2.998 N/A ILE 67.A N GLN 63.A O no hydrogen 3.458 N/A GLN 68.A N MET 64.A O no hydrogen 2.833 N/A TYR 69.A N ALA 65.A O no hydrogen 2.913 N/A SER 70.A N VAL 66.A O no hydrogen 2.903 N/A SER 70.A OG VAL 66.A O no hydrogen 2.632 N/A TRP 71.A N ILE 67.A O no hydrogen 3.033 N/A LEU 74.A N SER 70.A O no hydrogen 3.014 N/A MET 75.A N TRP 71.A O no hydrogen 2.829 N/A VAL 76.A N MET 72.A O no hydrogen 2.851 N/A PHE 77.A N GLY 73.A O no hydrogen 2.864 N/A ALA 78.A N LEU 74.A O no hydrogen 3.032 N/A MET 79.A N MET 75.A O no hydrogen 2.877 N/A GLY 80.A N VAL 76.A O no hydrogen 2.920 N/A TRP 81.A N PHE 77.A O no hydrogen 3.237 N/A ARG 82.A N ALA 78.A O no hydrogen 2.998 N/A ARG 82.A NE TYR 93.A O no hydrogen 3.218 N/A ARG 82.A NH2 PHE 94.A O no hydrogen 2.835 N/A SER 83.A N MET 79.A O no hydrogen 2.989 N/A SER 83.A OG MET 79.A O no hydrogen 3.235 N/A SER 83.A OG MET 91.A O no hydrogen 3.203 N/A PHE 84.A N GLY 80.A O no hydrogen 2.945 N/A THR 85.A N TRP 81.A O no hydrogen 2.890 N/A THR 85.A OG1 TRP 81.A O no hydrogen 3.529 N/A THR 85.A OG1 ARG 82.A O no hydrogen 3.393 N/A ASN 86.A N ARG 82.A O no hydrogen 2.770 N/A VAL 87.A N SER 83.A O no hydrogen 3.066 N/A SER 89.A N SER 83.A O no hydrogen 2.773 N/A SER 89.A OG SER 121.A OG no hydrogen 2.574 N/A ARG 90.A N VAL 87.A O no hydrogen 2.680 N/A ARG 90.A NH1 VAL 87.A O no hydrogen 2.839 N/A LEU 92.A N PHE 100.A O no hydrogen 3.074 N/A TYR 93.A N SER 83.A OG no hydrogen 2.603 N/A PHE 94.A N LEU 98.A O no hydrogen 3.176 N/A ALA 95.A N LEU 98.A O no hydrogen 3.246 N/A ASP 97.A N ASP 97.A OD1 no hydrogen 2.543 N/A LEU 98.A N ALA 95.A O no hydrogen 2.893 N/A PHE 100.A N LEU 92.A O no hydrogen 2.754 N/A ARG 104.A N ASN 101.A OD1 no hydrogen 2.795 N/A ARG 104.A NE ASP 25.A OD1 no hydrogen 3.211 N/A ARG 104.A NE ASP 25.A OD2 no hydrogen 3.408 N/A ARG 104.A NH1 ASN 21.A OD1 no hydrogen 3.434 N/A ARG 104.A NH1 VAL 99.A O no hydrogen 2.846 N/A ARG 104.A NH2 ASN 21.A OD1 no hydrogen 2.582 N/A ARG 104.A NH2 ASP 25.A OD1 no hydrogen 3.390 N/A MET 105.A N ASN 101.A O no hydrogen 2.914 N/A HIS 106.A N GLU 102.A O no hydrogen 3.056 N/A LYS 107.A N TYR 103.A O no hydrogen 2.806 N/A SER 108.A N ARG 104.A O no hydrogen 2.797 N/A SER 108.A OG ARG 104.A O no hydrogen 3.239 N/A SER 108.A OG MET 105.A O no hydrogen 2.570 N/A ARG 109.A N HIS 106.A O no hydrogen 3.050 N/A MET 110.A N SER 108.A OG no hydrogen 3.356 N/A TYR 111.A OH GLU 102.A OE1 no hydrogen 2.712 N/A CYS 114.A N MET 110.A O no hydrogen 2.981 N/A CYS 114.A SG MET 110.A O no hydrogen 3.448 N/A VAL 115.A N TYR 111.A O no hydrogen 2.875 N/A ARG 116.A N SER 112.A O no hydrogen 3.064 N/A MET 117.A N GLN 113.A O no hydrogen 2.934 N/A ARG 118.A N CYS 114.A O no hydrogen 2.812 N/A HIS 119.A N VAL 115.A O no hydrogen 2.954 N/A LEU 120.A N ARG 116.A O no hydrogen 3.152 N/A SER 121.A N MET 117.A O no hydrogen 3.093 N/A SER 121.A OG GLY 80.A O no hydrogen 2.935 N/A SER 121.A OG SER 89.A OG no hydrogen 2.574 N/A GLN 122.A N ARG 118.A O no hydrogen 2.907 N/A GLU 123.A N HIS 119.A O no hydrogen 3.166 N/A PHE 124.A N SER 121.A O no hydrogen 3.128 N/A GLY 125.A N GLN 122.A O no hydrogen 2.902 N/A TRP 126.A N GLN 122.A O no hydrogen 2.977 N/A LEU 127.A N GLU 123.A O no hydrogen 2.835 N/A GLN 128.A N GLY 125.A O no hydrogen 2.918 N/A ILE 129.A N PHE 124.A O no hydrogen 2.935 N/A THR 130.A N GLU 133.A OE1 no hydrogen 2.952 N/A GLU 133.A N THR 130.A OG1 no hydrogen 2.965 N/A PHE 134.A N THR 130.A O no hydrogen 2.826 N/A LEU 135.A N PRO 131.A O no hydrogen 2.978 N/A CYS 136.A N GLN 132.A O no hydrogen 2.876 N/A CYS 136.A SG TYR 164.A O no hydrogen 3.858 N/A MET 137.A N GLU 133.A O no hydrogen 2.797 N/A LYS 138.A N PHE 134.A O no hydrogen 2.872 N/A LYS 138.A NZ GLU 11.A OE2 no hydrogen 2.827 N/A ALA 139.A N LEU 135.A O no hydrogen 3.141 N/A LEU 140.A N CYS 136.A O no hydrogen 3.159 N/A LEU 141.A N MET 137.A O no hydrogen 3.050 N/A LEU 141.A N LYS 138.A O no hydrogen 2.971 N/A LEU 142.A N ALA 139.A O no hydrogen 3.141 N/A PHE 143.A N LEU 140.A O no hydrogen 3.163 N/A SER 144.A N LEU 141.A O no hydrogen 3.229 N/A SER 144.A OG LEU 140.A O no hydrogen 2.817 N/A ILE 146.A N LYS 242.A O no hydrogen 3.105 N/A VAL 148.A N LYS 240.A O no hydrogen 2.797 N/A GLY 150.A N PRO 147.A O no hydrogen 2.618 N/A LYS 152.A N ASP 62.A OD1 no hydrogen 2.828 N/A LYS 152.A NZ ASP 61.A OD2 no hydrogen 3.167 N/A ASN 153.A N ASP 62.A OD2 no hydrogen 2.792 N/A PHE 156.A N ASN 153.A O no hydrogen 3.167 N/A ASP 158.A N GLN 154.A O no hydrogen 2.860 N/A GLU 159.A N LYS 155.A O no hydrogen 3.208 N/A LEU 160.A N PHE 156.A O no hydrogen 2.875 N/A ARG 161.A N PHE 157.A O no hydrogen 2.853 N/A ARG 161.A NH1 PHE 143.A O no hydrogen 2.918 N/A ARG 161.A NH1 SER 144.A OG no hydrogen 3.422 N/A MET 162.A N ASP 158.A O no hydrogen 3.080 N/A ASN 163.A N GLU 159.A O no hydrogen 3.074 N/A TYR 164.A N LEU 160.A O no hydrogen 3.054 N/A TYR 164.A OH PRO 53.A O no hydrogen 2.708 N/A ILE 165.A N ARG 161.A O no hydrogen 3.021 N/A LYS 166.A N MET 162.A O no hydrogen 3.029 N/A GLU 167.A N ASN 163.A O no hydrogen 2.939 N/A LEU 168.A N TYR 164.A O no hydrogen 3.181 N/A ASP 169.A N ILE 165.A O no hydrogen 3.189 N/A ARG 170.A N LYS 166.A O no hydrogen 3.132 N/A ARG 170.A NH2 LYS 166.A O no hydrogen 3.555 N/A ILE 171.A N GLU 167.A O no hydrogen 2.922 N/A ILE 172.A N LEU 168.A O no hydrogen 3.026 N/A ALA 173.A N ASP 169.A O no hydrogen 2.650 N/A CYS 174.A N ARG 170.A O no hydrogen 2.811 N/A CYS 174.A SG ARG 170.A O no hydrogen 3.258 N/A ARG 176.A NE ILE 172.A O no hydrogen 2.682 N/A SER 181.A N ASN 178.A O no hydrogen 2.971 N/A CYS 182.A N ASN 178.A O no hydrogen 3.199 N/A CYS 182.A SG ASN 178.A O no hydrogen 3.918 N/A SER 183.A N PRO 179.A O no hydrogen 3.495 N/A ARG 184.A N THR 180.A O no hydrogen 3.151 N/A ARG 185.A N SER 181.A O no hydrogen 2.749 N/A ARG 185.A NE GLU 133.A OE2 no hydrogen 2.948 N/A ARG 185.A NH1 LEU 127.A O no hydrogen 2.746 N/A ARG 185.A NH2 LEU 127.A O no hydrogen 3.181 N/A ARG 185.A NH2 GLN 128.A O no hydrogen 3.193 N/A ARG 185.A NH2 GLU 133.A OE1 no hydrogen 2.609 N/A ARG 185.A NH2 GLU 133.A OE2 no hydrogen 3.264 N/A PHE 186.A N CYS 182.A O no hydrogen 2.898 N/A TYR 187.A N SER 183.A O no hydrogen 2.878 N/A GLN 188.A N ARG 184.A O no hydrogen 2.939 N/A LEU 189.A N ARG 185.A O no hydrogen 2.973 N/A THR 190.A N PHE 186.A O no hydrogen 3.014 N/A THR 190.A OG1 PHE 186.A O no hydrogen 2.929 N/A THR 190.A OG1 TYR 187.A O no hydrogen 2.872 N/A THR 190.A OG1 HIS 247.A NE2 no hydrogen 2.711 N/A LYS 191.A N TYR 187.A O no hydrogen 2.975 N/A LEU 192.A N GLN 188.A O no hydrogen 2.853 N/A LEU 193.A N LEU 189.A O no hydrogen 2.807 N/A ASP 194.A N THR 190.A O no hydrogen 2.963 N/A SER 195.A N LYS 191.A O no hydrogen 3.109 N/A SER 195.A OG LEU 192.A O no hydrogen 2.509 N/A VAL 196.A N LEU 193.A O no hydrogen 3.133 N/A GLN 197.A N ASP 194.A O no hydrogen 3.154 N/A ALA 200.A N VAL 196.A O no hydrogen 2.981 N/A ARG 201.A N GLN 197.A O no hydrogen 2.809 N/A ARG 201.A NH1 ILE 236.A O no hydrogen 3.307 N/A GLU 202.A N PRO 198.A O no hydrogen 3.023 N/A LEU 203.A N ILE 199.A O no hydrogen 2.987 N/A HIS 204.A N ALA 200.A O no hydrogen 2.789 N/A GLN 205.A N ARG 201.A O no hydrogen 3.061 N/A PHE 206.A N GLU 202.A O no hydrogen 3.038 N/A THR 207.A N LEU 203.A O no hydrogen 2.849 N/A PHE 208.A N HIS 204.A O no hydrogen 2.974 N/A ASP 209.A N GLN 205.A O no hydrogen 3.102 N/A LEU 210.A N PHE 206.A O no hydrogen 2.924 N/A LEU 211.A N THR 207.A O no hydrogen 2.834 N/A ILE 212.A N PHE 208.A O no hydrogen 3.088 N/A LYS 213.A N ASP 209.A O no hydrogen 3.045 N/A SER 214.A N LEU 211.A O no hydrogen 3.384 N/A SER 214.A OG LEU 211.A O no hydrogen 2.851 N/A MET 216.A N LYS 213.A O no hydrogen 2.978 N/A VAL 217.A N LYS 213.A O no hydrogen 3.170 N/A VAL 219.A N SER 214.A O no hydrogen 3.115 N/A ASP 220.A N SER 32.A OG no hydrogen 3.035 N/A MET 224.A N GLU 39.A OE2 no hydrogen 3.370 N/A MET 225.A N GLU 39.A OE1 no hydrogen 3.265 N/A ALA 226.A N PRO 222.A O no hydrogen 2.937 N/A GLU 227.A N GLU 223.A O no hydrogen 2.982 N/A ILE 228.A N MET 224.A O no hydrogen 2.931 N/A ILE 229.A N MET 225.A O no hydrogen 2.991 N/A SER 230.A N ALA 226.A O no hydrogen 3.254 N/A SER 230.A N GLU 227.A O no hydrogen 3.323 N/A SER 230.A OG ALA 226.A O no hydrogen 2.746 N/A SER 230.A OG GLU 227.A O no hydrogen 3.013 N/A VAL 231.A N GLU 227.A O no hydrogen 2.947 N/A GLN 232.A N ILE 228.A O no hydrogen 2.821 N/A VAL 233.A N ILE 228.A O no hydrogen 3.098 N/A LYS 235.A N GLN 232.A O no hydrogen 3.046 N/A LYS 235.A NZ TYR 69.A OH no hydrogen 3.564 N/A LYS 235.A NZ GLN 232.A OE1 no hydrogen 3.336 N/A ILE 236.A N VAL 233.A O no hydrogen 2.838 N/A LEU 237.A N VAL 233.A O no hydrogen 2.999 N/A SER 238.A N PRO 234.A O no hydrogen 2.861 N/A SER 238.A OG PRO 234.A O no hydrogen 2.991 N/A SER 238.A OG LYS 235.A O no hydrogen 3.306 N/A GLY 239.A N ILE 236.A O no hydrogen 3.025 N/A LYS 240.A N LYS 235.A O no hydrogen 2.921 N/A VAL 241.A N LYS 235.A O no hydrogen 3.025 N/A LYS 242.A N ILE 146.A O no hydrogen 3.126 N/A ILE 244.A N SER 144.A O no hydrogen 2.829 N/A PHE 246.A N ASP 194.A OD1 no hydrogen 3.003 N/A PHE 246.A N ASP 194.A OD2 no hydrogen 3.221 N/A HIS 247.A N ASP 194.A OD2 no hydrogen 3.034 N/A HIS 247.A NE2 THR 190.A OG1 no hydrogen 2.711 N/A