Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pfh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 SER 6.A O no hydrogen 2.981 N/A TYR 5.A OH HIS 114.A NE2 no hydrogen 2.777 N/A SER 6.A N GLN 2.A OE1 no hydrogen 3.114 N/A SER 6.A OG ASP 4.A OD2 no hydrogen 2.760 N/A GLY 7.A N ASP 74.A OD2 no hydrogen 2.910 N/A ILE 9.A N SER 6.A O no hydrogen 3.143 N/A ALA 10.A N SER 6.A O no hydrogen 3.399 N/A GLU 11.A N GLY 7.A O no hydrogen 3.236 N/A LEU 12.A N ILE 9.A O no hydrogen 3.161 N/A TYR 13.A N ALA 10.A O no hydrogen 3.314 N/A VAL 16.A N LEU 12.A O no hydrogen 3.004 N/A HIS 17.A N TYR 13.A O no hydrogen 3.052 N/A GLN 18.A N ASP 14.A O no hydrogen 2.897 N/A GLY 19.A N LEU 15.A O no hydrogen 2.954 N/A LYS 20.A N VAL 16.A O no hydrogen 2.935 N/A GLY 21.A N GLN 18.A O no hydrogen 2.861 N/A LYS 22.A N HIS 17.A O no hydrogen 3.062 N/A LYS 22.A NZ GLU 27.A OE1 no hydrogen 3.241 N/A LYS 22.A NZ GLU 27.A OE2 no hydrogen 2.590 N/A ARG 26.A N ASP 23.A OD1 no hydrogen 3.106 N/A GLU 27.A N ASP 23.A O no hydrogen 3.000 N/A ALA 28.A N TYR 24.A O no hydrogen 2.838 N/A ALA 29.A N HIS 25.A O no hydrogen 2.957 N/A ASP 30.A N ARG 26.A O no hydrogen 2.985 N/A LEU 31.A N GLU 27.A O no hydrogen 2.759 N/A ALA 32.A N ALA 28.A O no hydrogen 2.755 N/A ALA 33.A N ALA 29.A O no hydrogen 2.884 N/A LEU 34.A N ASP 30.A O no hydrogen 2.915 N/A VAL 35.A N LEU 31.A O no hydrogen 2.750 N/A ARG 36.A N ALA 32.A O no hydrogen 2.990 N/A ARG 36.A NH1 SER 62.A O no hydrogen 3.185 N/A ARG 36.A NH2 SER 62.A O no hydrogen 3.043 N/A ARG 37.A N ALA 33.A O no hydrogen 2.921 N/A HIS 38.A N LEU 34.A O no hydrogen 3.323 N/A SER 39.A N ARG 36.A O no hydrogen 3.355 N/A SER 39.A OG ASP 135.A O no hydrogen 2.985 N/A ALA 43.A N SER 103.A OG no hydrogen 2.758 N/A SER 44.A N SER 103.A OG no hydrogen 3.147 N/A LEU 45.A N THR 65.A O no hydrogen 2.973 N/A LEU 46.A N ALA 104.A O no hydrogen 2.878 N/A ASP 47.A N GLU 67.A O no hydrogen 2.726 N/A VAL 48.A N THR 106.A O no hydrogen 2.812 N/A CYS 50.A N LEU 69.A O no hydrogen 3.071 N/A CYS 50.A SG LEU 69.A O no hydrogen 3.723 N/A GLY 51.A N GLU 70.A OE1 no hydrogen 2.899 N/A THR 52.A OG1 ASP 14.A OD1 no hydrogen 2.627 N/A THR 52.A OG1 ASP 14.A OD2 no hydrogen 3.495 N/A GLY 53.A N CYS 50.A O no hydrogen 2.800 N/A HIS 55.A NE2 GLU 27.A OE1 no hydrogen 2.804 N/A ARG 57.A N GLY 53.A O no hydrogen 3.189 N/A HIS 58.A N MET 54.A O no hydrogen 3.463 N/A LEU 59.A N HIS 55.A O no hydrogen 2.780 N/A ALA 60.A N LEU 56.A O no hydrogen 3.037 N/A ASP 61.A N HIS 58.A O no hydrogen 3.058 N/A SER 62.A N LEU 59.A O no hydrogen 2.756 N/A PHE 63.A N LEU 59.A O no hydrogen 2.774 N/A THR 65.A N ALA 43.A O no hydrogen 3.260 N/A GLU 67.A N LEU 45.A O no hydrogen 2.916 N/A GLY 68.A N VAL 87.A O no hydrogen 3.208 N/A LEU 69.A N ASP 47.A O no hydrogen 2.899 N/A GLU 70.A N HIS 89.A O no hydrogen 2.897 N/A SER 72.A N GLU 70.A OE2 no hydrogen 2.753 N/A SER 72.A OG ASP 4.A O no hydrogen 3.546 N/A SER 72.A OG TYR 5.A O no hydrogen 2.585 N/A MET 75.A N SER 72.A OG no hydrogen 3.235 N/A LEU 76.A N SER 72.A O no hydrogen 2.832 N/A ALA 77.A N ALA 73.A O no hydrogen 2.771 N/A ILE 78.A N ASP 74.A O no hydrogen 3.431 N/A ALA 79.A N MET 75.A O no hydrogen 3.080 N/A ARG 80.A N LEU 76.A O no hydrogen 2.895 N/A ARG 80.A NE LEU 88.A O no hydrogen 3.238 N/A ARG 80.A NH1 LEU 88.A O no hydrogen 2.763 N/A ARG 81.A N ALA 77.A O no hydrogen 3.346 N/A ARG 82.A N ILE 78.A O no hydrogen 3.082 N/A ARG 82.A NH1 ASP 14.A OD2 no hydrogen 3.073 N/A ARG 82.A NH2 ASP 14.A OD2 no hydrogen 2.764 N/A ARG 82.A NH2 THR 52.A O no hydrogen 2.919 N/A ASN 83.A N ALA 79.A O no hydrogen 2.782 N/A ASN 83.A ND2 GLY 53.A O no hydrogen 2.942 N/A ASN 83.A ND2 ALA 79.A O no hydrogen 3.033 N/A ALA 86.A N ASN 83.A O no hydrogen 3.273 N/A HIS 89.A N GLY 68.A O no hydrogen 2.826 N/A HIS 89.A NE2 GLU 67.A OE1 no hydrogen 2.647 N/A HIS 90.A NE2 LEU 71.A O no hydrogen 2.811 N/A GLY 91.A N GLU 70.A O no hydrogen 2.947 N/A ARG 94.A N ASP 92.A OD1 no hydrogen 2.911 N/A ARG 94.A NE ASP 92.A OD1 no hydrogen 2.947 N/A ARG 94.A NH1 GLU 120.A OE2 no hydrogen 3.395 N/A ARG 94.A NH2 ASP 92.A OD2 no hydrogen 2.634 N/A ASP 95.A N ASP 92.A O no hydrogen 3.011 N/A LEU 98.A N HIS 131.A NE2 no hydrogen 2.954 N/A ARG 101.A NH1 ALA 129.A O no hydrogen 2.946 N/A ARG 101.A NH1 VAL 132.A O no hydrogen 2.748 N/A PHE 102.A N HIS 131.A O no hydrogen 2.750 N/A SER 103.A N SER 44.A OG no hydrogen 3.133 N/A ALA 104.A N SER 44.A O no hydrogen 3.106 N/A VAL 105.A N VAL 137.A O no hydrogen 3.030 N/A THR 106.A N LEU 46.A O no hydrogen 2.845 N/A THR 106.A OG1 LEU 46.A O no hydrogen 3.445 N/A THR 106.A OG1 ASP 47.A OD1 no hydrogen 2.667 N/A CYS 107.A N VAL 139.A O no hydrogen 2.904 N/A CYS 107.A SG VAL 48.A O no hydrogen 3.812 N/A PHE 109.A N GLU 141.A OE1 no hydrogen 2.628 N/A SER 110.A OG PRO 142.A O no hydrogen 2.692 N/A SER 111.A N MET 108.A O no hydrogen 3.380 N/A SER 111.A OG MET 108.A O no hydrogen 2.650 N/A GLY 113.A N SER 110.A O no hydrogen 2.985 N/A HIS 114.A N SER 111.A O no hydrogen 2.956 N/A HIS 114.A NE2 TYR 5.A OH no hydrogen 2.777 N/A LEU 115.A N ILE 112.A O no hydrogen 3.098 N/A ALA 116.A N GLU 120.A OE1 no hydrogen 3.008 N/A GLN 118.A NE2 ASP 122.A OD1 no hydrogen 2.962 N/A GLN 118.A NE2 GLN 210.A O no hydrogen 3.103 N/A LEU 121.A N GLY 117.A O no hydrogen 3.210 N/A ASP 122.A N GLN 118.A O no hydrogen 2.733 N/A ALA 123.A N ALA 119.A O no hydrogen 3.036 N/A ALA 124.A N GLU 120.A O no hydrogen 3.027 N/A LEU 125.A N LEU 121.A O no hydrogen 3.085 N/A GLU 126.A N ASP 122.A O no hydrogen 2.963 N/A ARG 127.A N ALA 123.A O no hydrogen 3.033 N/A ARG 127.A NE PHE 96.A O no hydrogen 2.987 N/A ARG 127.A NH1 PHE 96.A O no hydrogen 2.753 N/A ARG 127.A NH2 GLU 126.A OE1 no hydrogen 2.896 N/A ARG 127.A NH2 GLU 126.A OE2 no hydrogen 3.525 N/A PHE 128.A N ALA 124.A O no hydrogen 2.795 N/A ALA 129.A N LEU 125.A O no hydrogen 2.914 N/A ALA 130.A N GLU 126.A O no hydrogen 2.847 N/A HIS 131.A N PHE 128.A O no hydrogen 2.952 N/A HIS 131.A ND1 ARG 127.A O no hydrogen 2.758 N/A VAL 132.A N ALA 129.A O no hydrogen 3.427 N/A LEU 133.A N PHE 102.A O no hydrogen 2.701 N/A GLY 136.A N LEU 133.A O no hydrogen 2.911 N/A VAL 137.A N SER 103.A O no hydrogen 2.949 N/A VAL 138.A N GLY 237.A O no hydrogen 2.845 N/A VAL 139.A N VAL 105.A O no hydrogen 2.895 N/A VAL 140.A N PHE 235.A O no hydrogen 2.941 N/A GLU 141.A N CYS 107.A O no hydrogen 2.900 N/A TRP 143.A N TYR 211.A OH no hydrogen 3.136 N/A TRP 143.A NE1 THR 179.A OG1 no hydrogen 3.024 N/A PHE 145.A N ASN 148.A OD1 no hydrogen 2.811 N/A ASN 148.A N PHE 145.A O no hydrogen 3.193 N/A PHE 149.A N PHE 145.A O no hydrogen 3.079 N/A THR 150.A OG1 THR 150.A O no hydrogen 2.487 N/A GLY 152.A N SER 172.A O no hydrogen 2.720 N/A ALA 155.A N SER 170.A O no hydrogen 3.012 N/A GLY 157.A N ARG 168.A O no hydrogen 3.041 N/A THR 158.A OG1 THR 167.A OG1 no hydrogen 2.906 N/A VAL 159.A N VAL 166.A O no hydrogen 2.887 N/A ALA 161.A N THR 164.A O no hydrogen 2.918 N/A THR 164.A N ALA 161.A O no hydrogen 2.962 N/A THR 165.A N ALA 188.A O no hydrogen 2.705 N/A VAL 166.A N VAL 159.A O no hydrogen 2.854 N/A THR 167.A N LEU 186.A O no hydrogen 2.760 N/A THR 167.A OG1 THR 158.A OG1 no hydrogen 2.906 N/A ARG 168.A N GLY 157.A O no hydrogen 2.851 N/A VAL 169.A N HIS 184.A O no hydrogen 2.900 N/A SER 170.A N ALA 155.A O no hydrogen 2.769 N/A HIS 171.A N GLU 182.A O no hydrogen 2.951 N/A SER 172.A N TYR 153.A O no hydrogen 3.063 N/A SER 173.A N ARG 180.A O no hydrogen 2.943 N/A SER 173.A OG ARG 180.A O no hydrogen 3.520 N/A ARG 174.A NE.A GLY 176.A O no hydrogen 2.468 N/A ARG 174.A NH1.B PRO 146.A O no hydrogen 3.010 N/A GLU 175.A N ALA 178.A O no hydrogen 2.809 N/A ALA 178.A N GLU 175.A O no hydrogen 3.487 N/A THR 179.A N ILE 203.A O no hydrogen 2.771 N/A ARG 180.A N SER 173.A O no hydrogen 2.917 N/A ARG 180.A NE GLU 175.A OE1 no hydrogen 2.779 N/A ARG 180.A NE GLU 175.A OE2 no hydrogen 3.357 N/A ARG 180.A NH1 SER 200.A OG no hydrogen 2.876 N/A ARG 180.A NH2 GLU 175.A OE1 no hydrogen 3.504 N/A ARG 180.A NH2 GLU 175.A OE2 no hydrogen 2.789 N/A ILE 181.A N HIS 201.A O no hydrogen 2.989 N/A GLU 182.A N HIS 171.A O no hydrogen 3.067 N/A VAL 183.A N GLU 199.A O no hydrogen 2.912 N/A HIS 184.A N VAL 169.A O no hydrogen 2.864 N/A HIS 184.A ND1 HIS 196.A NE2 no hydrogen 2.791 N/A HIS 184.A NE2 GLU 182.A OE2 no hydrogen 2.822 N/A TYR 185.A N HIS 197.A O no hydrogen 2.711 N/A TYR 185.A OH GLU 199.A OE1 no hydrogen 2.658 N/A LEU 186.A N THR 167.A O no hydrogen 2.913 N/A VAL 187.A N THR 195.A O no hydrogen 3.038 N/A ALA 188.A N THR 165.A O no hydrogen 2.806 N/A GLY 189.A N GLY 193.A O no hydrogen 3.240 N/A ARG 192.A NE GLY 193.A O no hydrogen 3.471 N/A GLY 193.A N GLY 189.A O no hydrogen 2.749 N/A THR 195.A N VAL 187.A O no hydrogen 2.852 N/A THR 195.A OG1 HIS 197.A NE2 no hydrogen 2.775 N/A HIS 196.A NE2 HIS 184.A ND1 no hydrogen 2.791 N/A HIS 197.A N TYR 185.A O no hydrogen 2.996 N/A HIS 197.A NE2 THR 195.A OG1 no hydrogen 2.775 N/A GLU 199.A N VAL 183.A O no hydrogen 3.001 N/A SER 200.A N GLN 2.A O no hydrogen 2.823 N/A HIS 201.A N ILE 181.A O no hydrogen 2.928 N/A HIS 201.A NE2 GLU 199.A OE2 no hydrogen 2.811 N/A ARG 202.A NH1 GLU 175.A O no hydrogen 2.806 N/A ARG 202.A NH1 GLU 175.A OE2 no hydrogen 2.915 N/A ILE 203.A N THR 179.A O no hydrogen 2.908 N/A THR 204.A N GLY 113.A O no hydrogen 2.835 N/A THR 204.A OG1 GLY 113.A O no hydrogen 3.418 N/A THR 204.A OG1 LEU 115.A O no hydrogen 2.526 N/A LEU 205.A N GLU 177.A O no hydrogen 3.131 N/A THR 207.A N GLN 210.A OE1 no hydrogen 2.806 N/A ARG 208.A NE GLU 212.A OE2 no hydrogen 2.931 N/A GLN 210.A N THR 207.A OG1 no hydrogen 3.041 N/A GLN 210.A NE2 GLN 118.A OE1 no hydrogen 3.261 N/A TYR 211.A N THR 207.A O no hydrogen 3.271 N/A GLU 212.A N ARG 208.A O no hydrogen 3.052 N/A ARG 213.A N GLU 209.A O no hydrogen 2.879 N/A ALA 214.A N GLN 210.A O no hydrogen 3.103 N/A PHE 215.A N TYR 211.A O no hydrogen 3.011 N/A THR 216.A N GLU 212.A O no hydrogen 3.028 N/A THR 216.A OG1 GLU 212.A O no hydrogen 3.009 N/A ALA 217.A N ARG 213.A O no hydrogen 2.968 N/A ALA 218.A N ALA 214.A O no hydrogen 3.303 N/A ALA 218.A N PHE 215.A O no hydrogen 3.008 N/A GLY 219.A N THR 216.A O no hydrogen 3.024 N/A LEU 220.A N PHE 215.A O no hydrogen 3.027 N/A SER 221.A N LEU 238.A O no hydrogen 2.866 N/A SER 221.A OG LEU 238.A O no hydrogen 3.332 N/A GLU 223.A N THR 236.A O no hydrogen 2.944 N/A MET 225.A N LEU 234.A O no hydrogen 2.930 N/A SER 230.A OG GLU 141.A OE2 no hydrogen 2.724 N/A ARG 232.A NH1 SER 110.A OG no hydrogen 2.847 N/A GLY 233.A N GLY 227.A O no hydrogen 2.808 N/A LEU 234.A N MET 225.A O no hydrogen 2.874 N/A PHE 235.A N VAL 140.A O no hydrogen 2.847 N/A THR 236.A N GLU 223.A O no hydrogen 2.999 N/A GLY 237.A N VAL 138.A O no hydrogen 2.762 N/A LEU 238.A N SER 221.A O no hydrogen 2.974 N/A GLY 240.A N GLY 219.A O no hydrogen 3.246 N/A