Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N ALA 2.A O no hydrogen 2.723 N/A GLY 8.A N GLY 5.A O no hydrogen 2.868 N/A ALA 10.A N VAL 3.A O no hydrogen 3.296 N/A SER 11.A OG SER 38.A OG no hydrogen 2.969 N/A GLU 12.A N GLY 8.A O no hydrogen 3.038 N/A ASP 13.A N THR 9.A O no hydrogen 2.920 N/A VAL 14.A N ALA 10.A O no hydrogen 2.937 N/A PHE 15.A N SER 11.A O no hydrogen 3.078 N/A SER 16.A N ASP 13.A O no hydrogen 3.018 N/A SER 16.A OG ASP 13.A O no hydrogen 2.523 N/A TYR 17.A N VAL 14.A O no hydrogen 3.387 N/A VAL 20.A N LYS 54.A O no hydrogen 3.035 N/A MET 21.A N GLY 126.A O no hydrogen 2.817 N/A LEU 22.A N TYR 56.A O no hydrogen 2.793 N/A VAL 23.A N PHE 128.A O no hydrogen 2.877 N/A GLY 24.A N TYR 58.A O no hydrogen 2.985 N/A ALA 25.A N CYS 130.A O no hydrogen 3.121 N/A GLY 26.A N LEU 60.A O no hydrogen 3.013 N/A GLY 28.A N ALA 25.A O no hydrogen 2.781 N/A VAL 29.A N GLY 26.A O no hydrogen 3.296 N/A THR 30.A N ILE 27.A O no hydrogen 3.023 N/A THR 30.A OG1 ILE 27.A O no hydrogen 2.885 N/A ALA 33.A N THR 30.A O no hydrogen 3.075 N/A SER 34.A OG ASP 4.A O no hydrogen 2.579 N/A ILE 35.A N PRO 31.A O no hydrogen 3.173 N/A LEU 36.A N PHE 32.A O no hydrogen 2.775 N/A LYS 37.A N ALA 33.A O no hydrogen 3.223 N/A SER 38.A N SER 34.A O no hydrogen 2.951 N/A SER 38.A OG SER 11.A OG no hydrogen 2.969 N/A SER 38.A OG SER 34.A O no hydrogen 3.272 N/A SER 38.A OG ILE 35.A O no hydrogen 2.705 N/A VAL 39.A N ILE 35.A O no hydrogen 2.859 N/A TRP 40.A N LEU 36.A O no hydrogen 2.972 N/A TYR 41.A N LYS 37.A O no hydrogen 2.894 N/A LYS 42.A N SER 38.A O no hydrogen 2.877 N/A LYS 42.A NZ PRO 6.A O no hydrogen 3.259 N/A TYR 43.A N VAL 39.A O no hydrogen 2.917 N/A TYR 43.A OH ASN 86.A OD1 no hydrogen 2.878 N/A CYS 44.A N TRP 40.A O no hydrogen 3.175 N/A CYS 44.A SG TRP 40.A O no hydrogen 3.415 N/A ASN 45.A N TYR 41.A O no hydrogen 2.941 N/A ASN 45.A N LYS 42.A O no hydrogen 3.136 N/A ASN 46.A N LYS 42.A O no hydrogen 2.558 N/A ALA 47.A N ASN 45.A O no hydrogen 3.211 N/A ASN 49.A N ASN 46.A O no hydrogen 3.311 N/A LYS 51.A N ASN 49.A OD1 no hydrogen 3.272 N/A LYS 53.A N GLU 18.A O no hydrogen 2.803 N/A LYS 54.A N GLU 18.A O no hydrogen 3.177 N/A LYS 54.A NZ GLY 88.A O no hydrogen 2.639 N/A LYS 54.A NZ SER 91.A OG no hydrogen 2.624 N/A ILE 55.A N PHE 89.A O no hydrogen 2.817 N/A TYR 56.A N VAL 20.A O no hydrogen 2.842 N/A TYR 56.A OH HIS 120.A NE2 no hydrogen 2.564 N/A PHE 57.A N SER 91.A O no hydrogen 2.755 N/A TYR 58.A N LEU 22.A O no hydrogen 2.742 N/A TYR 58.A OH GLU 112.A OE2 no hydrogen 2.886 N/A TRP 59.A N ASN 93.A O no hydrogen 2.920 N/A LEU 60.A N GLY 24.A O no hydrogen 3.082 N/A CYS 61.A N TYR 95.A O no hydrogen 2.781 N/A CYS 61.A SG ASP 63.A O no hydrogen 3.154 N/A HIS 65.A N ASP 63.A OD1 no hydrogen 3.023 N/A ALA 66.A N ASP 63.A OD1 no hydrogen 2.876 N/A GLU 68.A N HIS 65.A O no hydrogen 2.935 N/A PHE 70.A N PHE 67.A O no hydrogen 2.839 N/A ASP 72.A N GLU 68.A O no hydrogen 3.233 N/A LEU 73.A N TRP 69.A O no hydrogen 3.020 N/A LEU 74.A N PHE 70.A O no hydrogen 3.011 N/A GLN 75.A N ALA 71.A O no hydrogen 3.060 N/A GLN 75.A NE2 ALA 71.A O no hydrogen 3.443 N/A LEU 76.A N ASP 72.A O no hydrogen 2.892 N/A LEU 77.A N LEU 73.A O no hydrogen 2.864 N/A GLU 78.A N LEU 74.A O no hydrogen 2.853 N/A SER 79.A N GLN 75.A O no hydrogen 2.779 N/A SER 79.A OG GLU 83.A OE2 no hydrogen 3.171 N/A GLN 80.A N LEU 76.A O no hydrogen 2.924 N/A MET 81.A N LEU 77.A O no hydrogen 2.877 N/A GLN 82.A N GLU 78.A O no hydrogen 2.979 N/A GLU 83.A N SER 79.A O no hydrogen 2.982 N/A ARG 84.A N GLN 80.A O no hydrogen 2.975 N/A ASN 86.A N MET 81.A O no hydrogen 2.869 N/A PHE 89.A N ASN 86.A O no hydrogen 3.012 N/A SER 91.A N ILE 55.A O no hydrogen 2.889 N/A TYR 92.A N GLN 100.A OE1 no hydrogen 2.763 N/A TYR 92.A OH GLU 78.A OE2 no hydrogen 2.681 N/A ASN 93.A N PHE 57.A O no hydrogen 2.812 N/A TYR 95.A N TRP 59.A O no hydrogen 2.747 N/A LEU 96.A N LEU 103.A O no hydrogen 2.834 N/A THR 97.A N CYS 61.A O no hydrogen 2.829 N/A THR 97.A OG1 CYS 61.A O no hydrogen 3.439 N/A GLN 100.A NE2 LEU 90.A O no hydrogen 2.867 N/A LEU 103.A N ILE 94.A O no hydrogen 2.780 N/A GLY 105.A N LEU 96.A O no hydrogen 2.827 N/A ASN 111.A N ASN 108.A OD1 no hydrogen 2.928 N/A GLU 112.A N ASN 108.A O no hydrogen 2.983 N/A PHE 113.A N TRP 109.A O no hydrogen 2.890 N/A LYS 114.A N ASP 110.A O no hydrogen 3.175 N/A THR 115.A N ASN 111.A O no hydrogen 3.018 N/A THR 115.A OG1 ASN 111.A O no hydrogen 3.153 N/A ILE 116.A N GLU 112.A O no hydrogen 2.987 N/A ALA 117.A N PHE 113.A O no hydrogen 2.772 N/A SER 118.A N LYS 114.A O no hydrogen 2.840 N/A SER 118.A OG LYS 114.A O no hydrogen 3.358 N/A SER 118.A OG THR 115.A O no hydrogen 2.722 N/A GLN 119.A N THR 115.A O no hydrogen 3.131 N/A GLN 119.A N ILE 116.A O no hydrogen 3.089 N/A HIS 120.A N ALA 117.A O no hydrogen 3.043 N/A HIS 120.A NE2 TYR 56.A OH no hydrogen 2.564 N/A ASN 122.A N ARG 152.A O no hydrogen 2.827 N/A THR 123.A OG1 HIS 120.A O no hydrogen 3.275 N/A THR 123.A OG1 PRO 121.A O no hydrogen 3.066 N/A ILE 125.A N HIS 155.A O no hydrogen 2.609 N/A GLY 126.A N VAL 19.A O no hydrogen 3.004 N/A VAL 127.A N ILE 157.A O no hydrogen 2.946 N/A PHE 128.A N MET 21.A O no hydrogen 2.826 N/A CYS 130.A N VAL 23.A O no hydrogen 3.006 N/A ALA 136.A N PRO 132.A O no hydrogen 3.354 N/A GLU 137.A N GLU 133.A O no hydrogen 3.273 N/A THR 138.A N ALA 134.A O no hydrogen 3.077 N/A LEU 139.A N LEU 135.A O no hydrogen 2.948 N/A SER 140.A N ALA 136.A O no hydrogen 2.894 N/A SER 140.A OG ALA 136.A O no hydrogen 2.729 N/A LYS 141.A N GLU 137.A O no hydrogen 2.870 N/A GLN 142.A N THR 138.A O no hydrogen 2.855 N/A GLN 142.A NE2 ASP 110.A OD1 no hydrogen 3.282 N/A GLN 142.A NE2 ASN 146.A OD1 no hydrogen 3.035 N/A SER 143.A N LEU 139.A O no hydrogen 2.747 N/A SER 143.A OG LEU 139.A O no hydrogen 2.578 N/A ILE 144.A N SER 140.A O no hydrogen 3.091 N/A SER 145.A N LYS 141.A O no hydrogen 2.825 N/A SER 145.A OG LYS 141.A O no hydrogen 2.729 N/A SER 145.A OG GLN 142.A O no hydrogen 3.149 N/A ASN 146.A N GLN 142.A O no hydrogen 2.892 N/A SER 147.A N ILE 144.A O no hydrogen 3.048 N/A SER 147.A OG SER 143.A O no hydrogen 2.869 N/A GLU 148.A N VAL 154.A O no hydrogen 2.850 N/A GLY 153.A N GLY 150.A O no hydrogen 2.758 N/A HIS 155.A N THR 123.A O no hydrogen 2.938 N/A PHE 156.A N SER 147.A OG no hydrogen 2.742 N/A ILE 157.A N ILE 125.A O no hydrogen 2.773 N/A ASN 159.A N VAL 127.A O no hydrogen 2.816 N/A ASN 159.A ND2 TYR 17.A OH no hydrogen 2.683 N/A ASN 159.A ND2 ILE 157.A O no hydrogen 2.858 N/A PHE 163.A N GLU 161.A O no hydrogen 3.184 N/A