Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pnw_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N SER 24.A O no hydrogen 3.052 N/A VAL 4.A N ALA 22.A O no hydrogen 2.811 N/A SER 6.A N SER 20.A O no hydrogen 3.091 N/A VAL 11.A N THR 122.A O no hydrogen 2.846 N/A GLY 14.A N LEU 85.A O no hydrogen 2.682 N/A GLY 15.A N GLN 12.A O no hydrogen 2.787 N/A SER 16.A OG ASN 83.A OD1 no hydrogen 2.622 N/A LEU 17.A N MET 82.A O no hydrogen 2.941 N/A LEU 19.A N LEU 80.A O no hydrogen 2.914 N/A SER 20.A N SER 6.A O no hydrogen 2.840 N/A CYS 21.A N ALA 78.A O no hydrogen 2.728 N/A ALA 22.A N VAL 4.A O no hydrogen 2.775 N/A ALA 23.A N ASN 76.A O no hydrogen 2.992 N/A SER 24.A N GLN 2.A O no hydrogen 2.922 N/A LEU 28.A N ASN 76.A OD1 no hydrogen 2.757 N/A SER 30.A N ASN 27.A O no hydrogen 3.211 N/A SER 30.A OG ASN 27.A O no hydrogen 2.699 N/A SER 31.A N LEU 28.A O no hydrogen 3.023 N/A SER 31.A OG LEU 28.A O no hydrogen 2.757 N/A TYR 32.A N THR 98.A O no hydrogen 2.883 N/A MET 33.A N ILE 50.A O no hydrogen 2.924 N/A HIS 34.A N ALA 96.A O no hydrogen 2.836 N/A HIS 34.A ND1 SER 49.A OG no hydrogen 2.629 N/A HIS 34.A NE2 THR 98.A OG1 no hydrogen 2.768 N/A TRP 35.A N ALA 48.A O no hydrogen 2.892 N/A VAL 36.A N TYR 94.A O no hydrogen 3.035 N/A ARG 37.A N GLU 45.A O no hydrogen 2.699 N/A ARG 37.A NE GLU 45.A OE1 no hydrogen 2.973 N/A ARG 37.A NH1 GLU 45.A OE1 no hydrogen 3.120 N/A ARG 37.A NH2 ASP 89.A OD1 no hydrogen 2.838 N/A ARG 37.A NH2 TYR 93.A OH no hydrogen 2.904 N/A GLN 38.A N VAL 92.A O no hydrogen 2.811 N/A GLN 38.A NE2 LYS 42.A O no hydrogen 2.990 N/A LYS 42.A N ALA 39.A O no hydrogen 2.904 N/A GLU 45.A N ARG 37.A O no hydrogen 2.726 N/A TRP 46.A NE1 SER 49.A OG no hydrogen 2.876 N/A VAL 47.A N TRP 35.A O no hydrogen 2.788 N/A ALA 48.A N TRP 35.A O no hydrogen 3.311 N/A SER 49.A N TYR 58.A O no hydrogen 2.903 N/A SER 49.A OG HIS 34.A ND1 no hydrogen 2.629 N/A ILE 50.A N MET 33.A O no hydrogen 2.853 N/A SER 51.A N SER 56.A O no hydrogen 2.975 N/A SER 53.A OG SER 29.A O no hydrogen 2.969 N/A TYR 54.A N SER 51.A OG no hydrogen 3.067 N/A GLY 55.A N SER 52.A O no hydrogen 3.097 N/A SER 56.A N SER 51.A O no hydrogen 3.038 N/A SER 56.A OG TYR 54.A O no hydrogen 3.152 N/A TYR 58.A N SER 49.A O no hydrogen 2.869 N/A ALA 60.A N VAL 47.A O no hydrogen 2.908 N/A SER 62.A OG GLU 45.A OE2 no hydrogen 3.320 N/A VAL 63.A N ALA 60.A O no hydrogen 3.096 N/A LYS 64.A NZ TYR 59.A O no hydrogen 3.054 N/A ARG 66.A N VAL 63.A O no hydrogen 3.239 N/A ARG 66.A NH1 SER 62.A O no hydrogen 2.775 N/A ARG 66.A NH1 ASP 89.A OD1 no hydrogen 3.254 N/A ARG 66.A NH2 SER 84.A O no hydrogen 3.143 N/A ARG 66.A NH2 ASP 89.A OD2 no hydrogen 2.902 N/A PHE 67.A N VAL 63.A O no hydrogen 2.989 N/A THR 68.A N GLN 81.A O no hydrogen 2.935 N/A ILE 69.A N TYR 59.A OH no hydrogen 2.759 N/A SER 70.A N TYR 79.A O no hydrogen 3.323 N/A ASP 72.A N THR 77.A O no hydrogen 2.830 N/A SER 74.A OG ASP 72.A OD1 no hydrogen 2.809 N/A LYS 75.A N ASP 72.A O no hydrogen 3.261 N/A LYS 75.A NZ ASP 72.A OD2 no hydrogen 2.841 N/A ASN 76.A N THR 73.A O no hydrogen 3.061 N/A ASN 76.A ND2 ALA 23.A O no hydrogen 3.012 N/A ASN 76.A ND2 PHE 26.A O no hydrogen 2.701 N/A THR 77.A N ASP 72.A O no hydrogen 3.153 N/A THR 77.A OG1 LYS 75.A O no hydrogen 2.741 N/A ALA 78.A N CYS 21.A O no hydrogen 2.979 N/A TYR 79.A N SER 70.A O no hydrogen 2.858 N/A LEU 80.A N LEU 19.A O no hydrogen 2.979 N/A GLN 81.A N THR 68.A O no hydrogen 2.917 N/A GLN 81.A NE2 MET 82.A O no hydrogen 3.669 N/A GLN 81.A NE2 ASN 83.A OD1 no hydrogen 2.902 N/A MET 82.A N LEU 17.A O no hydrogen 2.732 N/A ASN 83.A N ARG 66.A O no hydrogen 3.017 N/A ASN 83.A ND2 ARG 66.A O no hydrogen 3.436 N/A LEU 85.A N GLY 15.A O no hydrogen 3.046 N/A ARG 86.A N ASP 89.A OD2 no hydrogen 2.615 N/A ARG 86.A NE GLU 88.A OE1 no hydrogen 2.894 N/A ASP 89.A N ARG 86.A O no hydrogen 2.765 N/A THR 90.A N ALA 87.A O no hydrogen 2.984 N/A THR 90.A OG1 ALA 87.A O no hydrogen 2.881 N/A ALA 91.A N VAL 121.A O no hydrogen 2.980 N/A VAL 92.A N GLN 38.A O no hydrogen 2.922 N/A TYR 93.A N THR 119.A O no hydrogen 2.844 N/A TYR 93.A OH ASP 89.A O no hydrogen 2.635 N/A TYR 94.A N VAL 36.A O no hydrogen 2.786 N/A CYS 95.A N GLU 5.A OE2 no hydrogen 2.978 N/A ALA 96.A N HIS 34.A O no hydrogen 3.011 N/A ARG 97.A N TYR 114.A O no hydrogen 3.041 N/A ARG 97.A NE ASP 113.A OD2 no hydrogen 2.606 N/A ARG 97.A NH2 ASP 113.A OD2 no hydrogen 3.317 N/A THR 98.A N TYR 32.A O no hydrogen 2.811 N/A THR 98.A OG1 HIS 34.A NE2 no hydrogen 2.768 N/A THR 98.A OG1 ALA 111.A O no hydrogen 2.873 N/A VAL 99.A N ASP 113.A OD1 no hydrogen 3.071 N/A PHE 107.A N ARG 100.A O no hydrogen 2.636 N/A SER 108.A N PRO 105.A O no hydrogen 2.897 N/A TRP 110.A N PHE 107.A O no hydrogen 2.690 N/A ALA 111.A N SER 108.A O no hydrogen 3.280 N/A ASP 113.A N ARG 97.A O no hydrogen 3.031 N/A TRP 115.A NE1 MET 112.A O no hydrogen 2.734 N/A GLY 116.A N CYS 95.A O no hydrogen 2.962 N/A THR 119.A N TYR 93.A O no hydrogen 3.026 N/A VAL 121.A N ALA 91.A O no hydrogen 2.864 N/A THR 122.A N GLY 9.A O no hydrogen 3.020 N/A VAL 123.A N THR 90.A OG1 no hydrogen 2.984 N/A SER 124.A N VAL 11.A O no hydrogen 2.915 N/A ALA 126.A N SER 124.A OG no hydrogen 3.065 N/A LYS 129.A N PHE 158.A O no hydrogen 2.839 N/A LYS 129.A NZ GLY 130.A O no hydrogen 2.774 N/A LYS 129.A NZ ASP 156.A O no hydrogen 2.710 N/A SER 132.A N LYS 155.A O no hydrogen 2.967 N/A PHE 134.A N LEU 153.A O no hydrogen 2.846 N/A LEU 136.A N GLY 151.A O no hydrogen 2.722 N/A SER 140.A OG LYS 141.A O no hydrogen 3.426 N/A SER 140.A OG SER 198.A OG no hydrogen 2.580 N/A SER 144.A N LYS 141.A O no hydrogen 3.014 N/A SER 144.A OG SER 140.A OG no hydrogen 3.232 N/A SER 144.A OG LYS 141.A O no hydrogen 3.018 N/A SER 144.A OG SER 198.A OG no hydrogen 3.312 N/A GLY 146.A N SER 144.A OG no hydrogen 3.257 N/A ALA 148.A N VAL 196.A O no hydrogen 2.694 N/A LEU 150.A N VAL 194.A O no hydrogen 2.937 N/A GLY 151.A N LEU 136.A O no hydrogen 2.820 N/A CYS 152.A N SER 192.A O no hydrogen 2.773 N/A LEU 153.A N PHE 134.A O no hydrogen 2.726 N/A VAL 154.A N LEU 190.A O no hydrogen 2.632 N/A LYS 155.A N SER 132.A O no hydrogen 2.951 N/A LYS 155.A NZ ASP 156.A OD1 no hydrogen 3.439 N/A TYR 157.A N TYR 188.A O no hydrogen 3.028 N/A TYR 157.A OH GLU 160.A OE2 no hydrogen 3.073 N/A PHE 158.A N LYS 129.A O no hydrogen 2.925 N/A THR 163.A N ASN 211.A O no hydrogen 2.847 N/A THR 163.A OG1 ASN 211.A O no hydrogen 3.542 N/A SER 165.A N ASN 209.A O no hydrogen 2.910 N/A SER 165.A OG ASN 209.A OD1 no hydrogen 2.903 N/A TRP 166.A NE1 SER 192.A OG no hydrogen 2.903 N/A ASN 167.A N ILE 207.A O no hydrogen 2.754 N/A ASN 167.A ND2 THR 205.A O no hydrogen 2.938 N/A SER 168.A N ASN 209.A OD1 no hydrogen 2.792 N/A GLY 169.A N TRP 166.A O no hydrogen 2.985 N/A ALA 170.A N ASN 167.A O no hydrogen 3.040 N/A LEU 171.A N TRP 166.A O no hydrogen 3.310 N/A HIS 176.A N VAL 193.A O no hydrogen 2.715 N/A THR 177.A OG1 SER 192.A OG no hydrogen 2.602 N/A PHE 178.A N SER 191.A O no hydrogen 2.893 N/A VAL 181.A N SER 189.A O no hydrogen 3.057 N/A GLN 183.A N LEU 187.A O no hydrogen 2.923 N/A GLN 183.A NE2 ASP 156.A OD1 no hydrogen 2.866 N/A GLN 183.A NE2 LEU 187.A O no hydrogen 2.891 N/A GLY 186.A N GLN 183.A O no hydrogen 2.996 N/A TYR 188.A N TYR 157.A O no hydrogen 2.816 N/A SER 189.A N VAL 181.A O no hydrogen 3.069 N/A LEU 190.A N VAL 154.A O no hydrogen 2.818 N/A SER 192.A N CYS 152.A O no hydrogen 2.943 N/A SER 192.A OG THR 177.A OG1 no hydrogen 2.602 N/A VAL 193.A N HIS 176.A O no hydrogen 2.881 N/A VAL 194.A N LEU 150.A O no hydrogen 2.775 N/A THR 195.A N GLY 174.A O no hydrogen 3.368 N/A VAL 196.A N ALA 148.A O no hydrogen 2.828 N/A SER 198.A N GLY 146.A O no hydrogen 3.075 N/A SER 198.A OG SER 140.A OG no hydrogen 2.580 N/A SER 198.A OG SER 144.A OG no hydrogen 3.312 N/A SER 200.A N PRO 197.A O no hydrogen 3.034 N/A SER 200.A OG PRO 197.A O no hydrogen 2.745 N/A SER 200.A OG TYR 206.A OH no hydrogen 2.524 N/A LEU 201.A N SER 198.A O no hydrogen 3.084 N/A GLN 204.A N SER 200.A O no hydrogen 2.785 N/A GLN 204.A NE2 THR 205.A O no hydrogen 3.035 N/A TYR 206.A OH SER 200.A OG no hydrogen 2.524 N/A ILE 207.A N ASN 167.A OD1 no hydrogen 2.826 N/A CYS 208.A N LYS 221.A O no hydrogen 2.963 N/A CYS 208.A SG LYS 221.A O no hydrogen 3.758 N/A ASN 209.A N SER 165.A O no hydrogen 2.672 N/A ASN 209.A ND2 ASP 220.A OD1 no hydrogen 2.941 N/A VAL 210.A N VAL 219.A O no hydrogen 2.739 N/A ASN 211.A N THR 163.A O no hydrogen 2.849 N/A ASN 211.A ND2 THR 217.A O no hydrogen 3.025 N/A HIS 212.A N THR 217.A O no hydrogen 2.733 N/A HIS 212.A ND1 SER 215.A OG no hydrogen 2.456 N/A HIS 212.A NE2 PRO 159.A O no hydrogen 2.734 N/A SER 215.A N HIS 212.A O no hydrogen 3.277 N/A SER 215.A OG HIS 212.A ND1 no hydrogen 2.456 N/A SER 215.A OG HIS 212.A O no hydrogen 3.448 N/A SER 215.A OG THR 217.A OG1 no hydrogen 2.548 N/A ASN 216.A N LYS 213.A O no hydrogen 3.003 N/A THR 217.A N HIS 212.A O no hydrogen 3.131 N/A THR 217.A OG1 SER 215.A O no hydrogen 3.340 N/A THR 217.A OG1 SER 215.A OG no hydrogen 2.548 N/A VAL 219.A N VAL 210.A O no hydrogen 2.769 N/A LYS 221.A N CYS 208.A O no hydrogen 2.982 N/A VAL 223.A N TYR 206.A O no hydrogen 2.707 N/A