Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2piw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A N PRO 1.A O no hydrogen 3.171 N/A ASN 5.A N ILE 2.A O no hydrogen 2.731 N/A VAL 6.A N ILE 2.A O no hydrogen 3.110 N/A LEU 7.A N PHE 3.A O no hydrogen 3.199 N/A GLU 8.A N LEU 4.A O no hydrogen 3.277 N/A ALA 9.A N ASN 5.A O no hydrogen 2.943 N/A ILE 10.A N VAL 6.A O no hydrogen 2.814 N/A ALA 17.A N ASP 97.A OD1 no hydrogen 3.013 N/A ALA 17.A N ASP 97.A OD2 no hydrogen 3.034 N/A GLY 18.A N ASP 97.A OD2 no hydrogen 2.603 N/A HIS 19.A N ASP 97.A OD2 no hydrogen 3.009 N/A HIS 19.A ND1 SER 33.A OG no hydrogen 2.743 N/A ASN 21.A ND2 ASP 97.A O no hydrogen 2.801 N/A ASN 22.A N ASP 20.A OD1 no hydrogen 3.079 N/A GLN 23.A N ASP 20.A O no hydrogen 2.973 N/A ALA 29.A N SER 26.A OG no hydrogen 3.180 N/A LEU 30.A N SER 26.A O no hydrogen 2.884 N/A LEU 31.A N PHE 27.A O no hydrogen 3.059 N/A SER 32.A N ALA 28.A O no hydrogen 2.983 N/A SER 32.A OG ALA 28.A O no hydrogen 2.952 N/A SER 33.A N ALA 29.A O no hydrogen 3.171 N/A SER 33.A N LEU 30.A O no hydrogen 3.096 N/A SER 33.A OG HIS 19.A ND1 no hydrogen 2.743 N/A SER 33.A OG ALA 29.A O no hydrogen 3.255 N/A LEU 34.A N LEU 30.A O no hydrogen 3.057 N/A ASN 35.A N LEU 31.A O no hydrogen 2.846 N/A ASN 35.A ND2 ASP 220.A O no hydrogen 3.035 N/A GLU 36.A N SER 32.A O no hydrogen 3.211 N/A LEU 37.A N SER 33.A O no hydrogen 2.811 N/A GLY 38.A N LEU 34.A O no hydrogen 2.747 N/A GLU 39.A N ASN 35.A O no hydrogen 2.750 N/A ARG 40.A N GLU 36.A O no hydrogen 2.875 N/A ARG 40.A NE GLU 36.A OE2 no hydrogen 3.166 N/A ARG 40.A NH1 CYS 16.A O no hydrogen 2.842 N/A GLN 41.A N LEU 37.A O no hydrogen 2.745 N/A LEU 42.A N GLY 38.A O no hydrogen 2.811 N/A VAL 43.A N ARG 40.A O no hydrogen 3.005 N/A VAL 45.A N GLN 41.A O no hydrogen 2.970 N/A VAL 46.A N LEU 42.A O no hydrogen 3.097 N/A LYS 47.A N VAL 43.A O no hydrogen 3.415 N/A TRP 48.A N HIS 44.A O no hydrogen 2.941 N/A ALA 49.A N VAL 45.A O no hydrogen 2.797 N/A LYS 50.A N VAL 46.A O no hydrogen 3.010 N/A LYS 50.A NZ GLN 63.A OE1 no hydrogen 2.735 N/A ALA 51.A N LYS 47.A O no hydrogen 3.067 N/A LEU 52.A N ALA 49.A O no hydrogen 2.820 N/A PHE 55.A N LEU 52.A O no hydrogen 3.167 N/A ASN 57.A N GLY 54.A O no hydrogen 3.138 N/A LEU 58.A N PHE 55.A O no hydrogen 3.207 N/A ASP 61.A N HIS 59.A ND1 no hydrogen 2.863 N/A GLN 63.A N HIS 59.A O no hydrogen 3.041 N/A GLN 63.A NE2 LEU 58.A O no hydrogen 2.802 N/A ALA 65.A N ASP 61.A O no hydrogen 2.989 N/A VAL 66.A N ASP 62.A O no hydrogen 2.825 N/A GLN 68.A N MET 64.A O no hydrogen 3.050 N/A TYR 69.A N ALA 65.A O no hydrogen 2.986 N/A SER 70.A N VAL 66.A O no hydrogen 3.191 N/A SER 70.A OG VAL 66.A O no hydrogen 2.670 N/A SER 70.A OG LEU 142.A O no hydrogen 3.420 N/A LEU 74.A N SER 70.A O no hydrogen 3.054 N/A MET 75.A N TRP 71.A O no hydrogen 3.085 N/A VAL 76.A N MET 72.A O no hydrogen 2.949 N/A PHE 77.A N GLY 73.A O no hydrogen 2.947 N/A ALA 78.A N LEU 74.A O no hydrogen 2.911 N/A MET 79.A N MET 75.A O no hydrogen 2.826 N/A GLY 80.A N VAL 76.A O no hydrogen 3.066 N/A TRP 81.A N PHE 77.A O no hydrogen 3.163 N/A ARG 82.A N ALA 78.A O no hydrogen 3.015 N/A ARG 82.A NE TYR 93.A O no hydrogen 3.291 N/A ARG 82.A NH2 PHE 94.A O no hydrogen 2.892 N/A SER 83.A N MET 79.A O no hydrogen 2.916 N/A SER 83.A OG MET 79.A O no hydrogen 2.891 N/A PHE 84.A N GLY 80.A O no hydrogen 2.886 N/A THR 85.A N TRP 81.A O no hydrogen 2.842 N/A THR 85.A OG1 TRP 81.A O no hydrogen 3.568 N/A THR 85.A OG1 ARG 82.A O no hydrogen 3.538 N/A THR 85.A OG1 ASN 86.A OD1 no hydrogen 3.531 N/A ASN 86.A N ARG 82.A O no hydrogen 2.620 N/A VAL 87.A N SER 83.A O no hydrogen 3.211 N/A SER 89.A N SER 83.A O no hydrogen 2.681 N/A SER 89.A OG SER 121.A OG no hydrogen 2.735 N/A ARG 90.A N VAL 87.A O no hydrogen 2.940 N/A LEU 92.A N PHE 100.A O no hydrogen 3.265 N/A TYR 93.A N SER 83.A OG no hydrogen 2.730 N/A ALA 95.A N LEU 98.A O no hydrogen 3.403 N/A LEU 98.A N ALA 95.A O no hydrogen 2.730 N/A PHE 100.A N LEU 92.A O no hydrogen 2.957 N/A ARG 104.A N ASN 101.A OD1 no hydrogen 2.693 N/A ARG 104.A NE ASP 25.A OD1 no hydrogen 2.901 N/A ARG 104.A NE ASP 25.A OD2 no hydrogen 2.972 N/A ARG 104.A NH1 ASN 21.A OD1 no hydrogen 3.490 N/A ARG 104.A NH1 VAL 99.A O no hydrogen 2.705 N/A ARG 104.A NH2 ASN 21.A OD1 no hydrogen 2.722 N/A ARG 104.A NH2 ASP 25.A OD1 no hydrogen 2.983 N/A MET 105.A N ASN 101.A O no hydrogen 2.880 N/A HIS 106.A N TYR 103.A O no hydrogen 2.899 N/A LYS 107.A N TYR 103.A O no hydrogen 2.999 N/A SER 108.A N ARG 104.A O no hydrogen 2.934 N/A SER 108.A OG ARG 104.A O no hydrogen 3.451 N/A SER 108.A OG MET 105.A O no hydrogen 2.935 N/A ARG 109.A N HIS 106.A O no hydrogen 3.016 N/A TYR 111.A OH GLU 102.A OE1 no hydrogen 2.900 N/A TYR 111.A OH GLU 102.A OE2 no hydrogen 3.069 N/A SER 112.A OG GLN 113.A OE1 no hydrogen 2.757 N/A GLN 113.A N GLN 113.A OE1 no hydrogen 2.704 N/A CYS 114.A N MET 110.A O no hydrogen 3.251 N/A CYS 114.A SG MET 110.A O no hydrogen 3.222 N/A VAL 115.A N TYR 111.A O no hydrogen 2.928 N/A ARG 116.A N SER 112.A O no hydrogen 3.123 N/A ARG 116.A NH1 GLU 202.A OE1 no hydrogen 3.338 N/A MET 117.A N GLN 113.A O no hydrogen 3.040 N/A ARG 118.A N CYS 114.A O no hydrogen 2.787 N/A ARG 118.A NH1 GLU 102.A OE2 no hydrogen 3.417 N/A HIS 119.A N VAL 115.A O no hydrogen 2.827 N/A LEU 120.A N ARG 116.A O no hydrogen 2.902 N/A SER 121.A N MET 117.A O no hydrogen 3.009 N/A SER 121.A OG GLY 80.A O no hydrogen 2.828 N/A SER 121.A OG SER 89.A OG no hydrogen 2.735 N/A GLN 122.A N ARG 118.A O no hydrogen 2.753 N/A GLU 123.A N HIS 119.A O no hydrogen 2.990 N/A PHE 124.A N SER 121.A O no hydrogen 3.116 N/A GLY 125.A N GLN 122.A O no hydrogen 2.648 N/A LEU 127.A N GLU 123.A O no hydrogen 3.140 N/A GLN 128.A N GLY 125.A O no hydrogen 2.729 N/A ILE 129.A N PHE 124.A O no hydrogen 3.366 N/A THR 130.A N GLU 133.A OE1 no hydrogen 2.608 N/A THR 130.A OG1 GLU 133.A OE1 no hydrogen 2.839 N/A PHE 134.A N THR 130.A O no hydrogen 3.016 N/A LEU 135.A N PRO 131.A O no hydrogen 3.193 N/A CYS 136.A N GLN 132.A O no hydrogen 3.173 N/A CYS 136.A SG TYR 164.A O no hydrogen 3.929 N/A MET 137.A N GLU 133.A O no hydrogen 2.841 N/A LYS 138.A N PHE 134.A O no hydrogen 2.816 N/A LYS 138.A NZ GLU 11.A OE2 no hydrogen 3.371 N/A ALA 139.A N LEU 135.A O no hydrogen 3.183 N/A LEU 140.A N CYS 136.A O no hydrogen 2.990 N/A LEU 141.A N LYS 138.A O no hydrogen 3.010 N/A LEU 142.A N ALA 139.A O no hydrogen 2.955 N/A PHE 143.A N LEU 140.A O no hydrogen 3.328 N/A SER 144.A N LEU 141.A O no hydrogen 3.114 N/A SER 144.A OG LEU 140.A O no hydrogen 2.594 N/A ILE 146.A N LYS 242.A O no hydrogen 3.241 N/A VAL 148.A N LYS 240.A O no hydrogen 2.888 N/A GLY 150.A N PRO 147.A O no hydrogen 2.859 N/A LEU 151.A N GLN 154.A OE1 no hydrogen 3.059 N/A LYS 152.A N ASP 62.A OD1 no hydrogen 2.826 N/A ASN 153.A N ASP 62.A OD2 no hydrogen 3.291 N/A GLN 154.A NE2 ASP 158.A OD2 no hydrogen 3.101 N/A PHE 157.A N ASN 153.A O no hydrogen 3.450 N/A ASP 158.A N GLN 154.A O no hydrogen 2.779 N/A GLU 159.A N LYS 155.A O no hydrogen 3.327 N/A LEU 160.A N PHE 156.A O no hydrogen 2.769 N/A ARG 161.A N PHE 157.A O no hydrogen 2.841 N/A ARG 161.A NH1 PHE 143.A O no hydrogen 2.727 N/A MET 162.A N ASP 158.A O no hydrogen 2.980 N/A ASN 163.A N GLU 159.A O no hydrogen 2.834 N/A TYR 164.A N LEU 160.A O no hydrogen 3.094 N/A TYR 164.A N ARG 161.A O no hydrogen 2.803 N/A TYR 164.A OH PRO 53.A O no hydrogen 2.656 N/A ILE 165.A N ARG 161.A O no hydrogen 2.909 N/A LYS 166.A N MET 162.A O no hydrogen 3.121 N/A LEU 168.A N TYR 164.A O no hydrogen 3.218 N/A ASP 169.A N ILE 165.A O no hydrogen 3.111 N/A ARG 170.A N LYS 166.A O no hydrogen 2.910 N/A ILE 171.A N GLU 167.A O no hydrogen 2.849 N/A ILE 172.A N LEU 168.A O no hydrogen 2.764 N/A ALA 173.A N ASP 169.A O no hydrogen 2.687 N/A CYS 174.A N ILE 171.A O no hydrogen 3.214 N/A CYS 182.A SG ILE 172.A O no hydrogen 4.000 N/A ARG 184.A N THR 180.A O no hydrogen 2.997 N/A ARG 185.A N SER 181.A O no hydrogen 2.750 N/A ARG 185.A NE GLU 133.A OE2 no hydrogen 2.734 N/A ARG 185.A NH1 LEU 127.A O no hydrogen 2.680 N/A ARG 185.A NH1 GLN 188.A OE1 no hydrogen 3.396 N/A ARG 185.A NH2 LEU 127.A O no hydrogen 2.919 N/A ARG 185.A NH2 GLN 128.A O no hydrogen 3.038 N/A ARG 185.A NH2 GLU 133.A OE1 no hydrogen 2.834 N/A ARG 185.A NH2 GLU 133.A OE2 no hydrogen 2.976 N/A PHE 186.A N CYS 182.A O no hydrogen 3.370 N/A GLN 188.A N ARG 184.A O no hydrogen 3.019 N/A LEU 189.A N ARG 185.A O no hydrogen 2.987 N/A THR 190.A N PHE 186.A O no hydrogen 2.958 N/A THR 190.A OG1 PHE 186.A O no hydrogen 2.814 N/A THR 190.A OG1 TYR 187.A O no hydrogen 2.797 N/A THR 190.A OG1 HIS 247.A NE2 no hydrogen 2.847 N/A LYS 191.A N TYR 187.A O no hydrogen 3.069 N/A LEU 192.A N GLN 188.A O no hydrogen 2.936 N/A LEU 193.A N LEU 189.A O no hydrogen 2.853 N/A ASP 194.A N THR 190.A O no hydrogen 3.205 N/A SER 195.A N LYS 191.A O no hydrogen 2.966 N/A SER 195.A OG LEU 192.A O no hydrogen 2.460 N/A VAL 196.A N LEU 193.A O no hydrogen 3.166 N/A GLN 197.A N ASP 194.A O no hydrogen 3.244 N/A ALA 200.A N VAL 196.A O no hydrogen 3.013 N/A ARG 201.A N GLN 197.A O no hydrogen 2.870 N/A GLU 202.A N PRO 198.A O no hydrogen 3.276 N/A LEU 203.A N ILE 199.A O no hydrogen 3.066 N/A HIS 204.A N ALA 200.A O no hydrogen 2.798 N/A GLN 205.A N ARG 201.A O no hydrogen 3.088 N/A PHE 206.A N GLU 202.A O no hydrogen 2.939 N/A THR 207.A N LEU 203.A O no hydrogen 2.834 N/A PHE 208.A N HIS 204.A O no hydrogen 3.086 N/A ASP 209.A N GLN 205.A O no hydrogen 3.065 N/A LEU 210.A N PHE 206.A O no hydrogen 2.867 N/A LEU 211.A N THR 207.A O no hydrogen 2.849 N/A ILE 212.A N PHE 208.A O no hydrogen 3.162 N/A LYS 213.A N ASP 209.A O no hydrogen 3.166 N/A SER 214.A N LEU 211.A O no hydrogen 2.932 N/A SER 214.A OG LEU 211.A O no hydrogen 2.999 N/A MET 216.A N LYS 213.A O no hydrogen 2.841 N/A VAL 217.A N LYS 213.A O no hydrogen 3.104 N/A VAL 217.A N SER 214.A O no hydrogen 3.298 N/A VAL 219.A N SER 214.A O no hydrogen 3.011 N/A ASP 220.A N SER 32.A OG no hydrogen 2.997 N/A ALA 226.A N PRO 222.A O no hydrogen 3.008 N/A GLU 227.A N GLU 223.A O no hydrogen 3.065 N/A ILE 228.A N MET 224.A O no hydrogen 3.097 N/A ILE 229.A N MET 225.A O no hydrogen 3.173 N/A SER 230.A N ALA 226.A O no hydrogen 3.239 N/A SER 230.A OG ALA 226.A O no hydrogen 2.906 N/A SER 230.A OG GLU 227.A O no hydrogen 3.454 N/A VAL 231.A N ILE 228.A O no hydrogen 3.181 N/A GLN 232.A N ILE 228.A O no hydrogen 2.685 N/A VAL 233.A N ILE 228.A O no hydrogen 3.163 N/A LYS 235.A N GLN 232.A O no hydrogen 2.938 N/A LYS 235.A NZ VAL 231.A O no hydrogen 3.444 N/A ILE 236.A N VAL 233.A O no hydrogen 2.737 N/A LEU 237.A N VAL 233.A O no hydrogen 3.058 N/A SER 238.A OG LYS 235.A O no hydrogen 3.353 N/A GLY 239.A N ILE 236.A O no hydrogen 3.252 N/A VAL 241.A N LYS 235.A O no hydrogen 2.908 N/A LYS 242.A N ILE 146.A O no hydrogen 2.993 N/A ILE 244.A N SER 144.A O no hydrogen 2.726 N/A PHE 246.A N ASP 194.A OD1 no hydrogen 3.121 N/A PHE 246.A N ASP 194.A OD2 no hydrogen 2.882 N/A HIS 247.A N ASP 194.A OD2 no hydrogen 3.032 N/A HIS 247.A NE2 THR 190.A OG1 no hydrogen 2.847 N/A