Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH2 ALA 90.A O no hydrogen 2.574 N/A LYS 3.A N PRO 93.A O no hydrogen 2.857 N/A LYS 4.A N ASP 144.A OD2 no hydrogen 2.998 N/A LYS 4.A NZ SER 140.A O no hydrogen 2.935 N/A LYS 4.A NZ GLU 142.A O no hydrogen 2.890 N/A ILE 5.A N LEU 95.A O no hydrogen 2.904 N/A SER 6.A N GLY 145.A O no hydrogen 3.071 N/A SER 6.A OG GLU 8.A OE1 no hydrogen 2.541 N/A ILE 7.A N PHE 97.A O no hydrogen 2.833 N/A GLU 8.A N ILE 147.A O no hydrogen 2.892 N/A ASN 10.A ND2 LEU 176.A O no hydrogen 2.847 N/A ILE 11.A N ASN 10.A OD1 no hydrogen 2.521 N/A ALA 13.A N ASN 10.A O no hydrogen 3.144 N/A LYS 15.A NZ GLY 9.A O no hydrogen 2.653 N/A PHE 18.A N GLY 14.A O no hydrogen 2.803 N/A VAL 19.A N LYS 15.A O no hydrogen 2.930 N/A ASN 20.A N SER 16.A O no hydrogen 3.265 N/A ILE 21.A N THR 17.A O no hydrogen 3.234 N/A LEU 22.A N PHE 18.A O no hydrogen 2.867 N/A LYS 23.A N VAL 19.A O no hydrogen 2.872 N/A LYS 23.A NZ ASN 20.A OD1 no hydrogen 3.495 N/A GLN 24.A N ILE 21.A O no hydrogen 3.273 N/A LEU 25.A N LEU 22.A O no hydrogen 3.088 N/A ASP 28.A N SER 26.A OG no hydrogen 3.040 N/A GLU 30.A N VAL 94.A O no hydrogen 2.999 N/A VAL 32.A N PHE 96.A O no hydrogen 2.930 N/A GLU 34.A N GLU 98.A OE2 no hydrogen 2.885 N/A ARG 38.A N GLU 34.A O no hydrogen 2.780 N/A TRP 39.A N PRO 35.A O no hydrogen 2.712 N/A SER 40.A N ALA 37.A O no hydrogen 3.100 N/A SER 40.A OG VAL 36.A O no hydrogen 2.796 N/A THR 43.A N GLN 46.A OE1 no hydrogen 3.059 N/A THR 43.A OG1 GLN 46.A OE1 no hydrogen 3.308 N/A LYS 47.A N THR 43.A O no hydrogen 2.632 N/A ASN 48.A N MET 44.A O no hydrogen 3.176 N/A ASN 48.A ND2 TYR 70.A OH no hydrogen 3.471 N/A GLY 49.A N GLU 45.A O no hydrogen 2.782 N/A GLY 50.A N GLN 46.A O no hydrogen 3.022 N/A ASN 51.A ND2 LYS 47.A O no hydrogen 3.275 N/A VAL 52.A N ASN 48.A O no hydrogen 3.185 N/A LEU 53.A N GLY 49.A O no hydrogen 2.924 N/A GLN 54.A N GLY 50.A O no hydrogen 2.815 N/A MET 55.A N ASN 51.A O no hydrogen 2.802 N/A MET 56.A N VAL 52.A O no hydrogen 2.673 N/A GLU 58.A N GLN 54.A O no hydrogen 3.457 N/A LYS 59.A N MET 55.A O no hydrogen 2.892 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.470 N/A ARG 62.A N LYS 59.A O no hydrogen 3.172 N/A ARG 62.A NH1 ARG 62.A O no hydrogen 3.106 N/A TRP 63.A N LYS 59.A O no hydrogen 3.304 N/A SER 64.A N PRO 60.A O no hydrogen 3.101 N/A SER 64.A OG PRO 60.A O no hydrogen 2.479 N/A PHE 67.A N TRP 63.A O no hydrogen 2.792 N/A GLN 68.A N SER 64.A O no hydrogen 2.841 N/A THR 69.A N PHE 65.A O no hydrogen 3.077 N/A THR 69.A OG1 PHE 65.A O no hydrogen 2.891 N/A THR 69.A OG1 THR 66.A O no hydrogen 2.634 N/A TYR 70.A N THR 66.A O no hydrogen 3.202 N/A ALA 71.A N PHE 67.A O no hydrogen 2.855 N/A CYS 72.A N GLN 68.A O no hydrogen 3.221 N/A CYS 72.A SG ASP 104.A OD2 no hydrogen 3.534 N/A LEU 73.A N THR 69.A O no hydrogen 3.150 N/A SER 74.A N TYR 70.A O no hydrogen 2.881 N/A SER 74.A OG TYR 70.A O no hydrogen 2.655 N/A ARG 75.A N ALA 71.A O no hydrogen 2.990 N/A ARG 75.A NE ASP 104.A OD1 no hydrogen 3.270 N/A ARG 75.A NE ASP 104.A OD2 no hydrogen 2.501 N/A ARG 75.A NH2 GLU 34.A OE2 no hydrogen 3.179 N/A ARG 75.A NH2 ASP 104.A OD1 no hydrogen 2.517 N/A ILE 76.A N CYS 72.A O no hydrogen 2.759 N/A ARG 77.A N LEU 73.A O no hydrogen 2.953 N/A ALA 78.A N SER 74.A O no hydrogen 3.184 N/A GLN 79.A N ARG 75.A O no hydrogen 2.965 N/A LEU 80.A N ILE 76.A O no hydrogen 3.223 N/A ALA 81.A N ARG 77.A O no hydrogen 3.056 N/A SER 82.A N ALA 78.A O no hydrogen 3.515 N/A LEU 83.A N GLN 79.A O no hydrogen 3.075 N/A ASN 84.A N ALA 81.A O no hydrogen 2.972 N/A ASN 84.A ND2 LEU 80.A O no hydrogen 2.504 N/A GLY 85.A N SER 82.A O no hydrogen 3.394 N/A ALA 90.A N LEU 87.A O no hydrogen 3.488 N/A VAL 94.A N ASP 28.A O no hydrogen 2.629 N/A LEU 95.A N LYS 3.A O no hydrogen 2.611 N/A PHE 96.A N GLU 30.A O no hydrogen 2.697 N/A PHE 97.A N ILE 5.A O no hydrogen 2.799 N/A GLU 98.A N VAL 32.A O no hydrogen 2.942 N/A ARG 99.A N ILE 7.A O no hydrogen 2.870 N/A ARG 99.A NH1 GLU 34.A OE2 no hydrogen 3.101 N/A ARG 99.A NH2 GLY 9.A O no hydrogen 3.225 N/A SER 100.A N SER 103.A OG no hydrogen 3.082 N/A SER 100.A OG GLU 8.A OE1 no hydrogen 2.904 N/A SER 100.A OG SER 103.A OG no hydrogen 3.167 N/A TYR 102.A N SER 100.A OG no hydrogen 3.255 N/A TYR 102.A OH TYR 198.A OH no hydrogen 2.404 N/A SER 103.A OG GLU 8.A OE2 no hydrogen 2.375 N/A SER 103.A OG SER 100.A OG no hydrogen 3.167 N/A ASP 104.A N SER 100.A O no hydrogen 3.131 N/A ARG 105.A NH1 HIS 130.A ND1 no hydrogen 3.256 N/A ARG 105.A NH1 ASP 131.A OD1 no hydrogen 2.639 N/A ARG 105.A NH2 ASP 131.A OD1 no hydrogen 3.423 N/A TYR 106.A N TYR 102.A O no hydrogen 2.894 N/A ILE 107.A N SER 103.A O no hydrogen 3.215 N/A PHE 108.A N SER 103.A O no hydrogen 3.168 N/A ALA 109.A N ASP 104.A O no hydrogen 2.944 N/A SER 110.A N ARG 105.A O no hydrogen 2.858 N/A SER 110.A OG GLU 114.A OE2 no hydrogen 3.308 N/A LEU 112.A N PHE 108.A O no hydrogen 2.991 N/A TYR 113.A N ALA 109.A O no hydrogen 3.008 N/A GLU 114.A N SER 110.A O no hydrogen 2.986 N/A SER 115.A N ASN 111.A O no hydrogen 2.859 N/A SER 115.A OG ASN 111.A O no hydrogen 2.610 N/A GLU 116.A N TYR 113.A O no hydrogen 2.815 N/A SER 117.A N LEU 112.A O no hydrogen 2.712 N/A ASN 119.A N GLU 122.A OE1 no hydrogen 2.892 N/A GLU 122.A N ASN 119.A OD1 no hydrogen 2.703 N/A TRP 123.A N ASN 119.A O no hydrogen 3.007 N/A THR 124.A N GLU 120.A O no hydrogen 2.749 N/A THR 124.A OG1 GLU 120.A O no hydrogen 2.587 N/A ILE 125.A N THR 121.A O no hydrogen 2.796 N/A TYR 126.A N GLU 122.A O no hydrogen 2.937 N/A GLN 127.A N TRP 123.A O no hydrogen 3.052 N/A ASP 128.A N THR 124.A O no hydrogen 2.821 N/A TRP 129.A N ILE 125.A O no hydrogen 2.642 N/A HIS 130.A N TYR 126.A O no hydrogen 2.584 N/A HIS 130.A NE2 VAL 101.A O no hydrogen 2.576 N/A ASP 131.A N GLN 127.A O no hydrogen 2.986 N/A TRP 132.A N ASP 128.A O no hydrogen 3.403 N/A MET 133.A N TRP 129.A O no hydrogen 2.961 N/A ASN 134.A N HIS 130.A O no hydrogen 3.220 N/A ASN 134.A ND2 HIS 130.A O no hydrogen 2.884 N/A ASN 135.A N TRP 132.A O no hydrogen 3.373 N/A GLN 136.A N TRP 132.A O no hydrogen 2.872 N/A LEU 141.A N GLY 138.A O no hydrogen 3.438 N/A GLU 142.A N GLN 139.A O no hydrogen 3.410 N/A LEU 143.A N TYR 198.A OH no hydrogen 3.136 N/A ASP 144.A N LYS 4.A O no hydrogen 2.852 N/A ILE 146.A N PRO 203.A O no hydrogen 3.152 N/A ILE 147.A N SER 6.A O no hydrogen 2.800 N/A TYR 148.A N LEU 205.A O no hydrogen 2.535 N/A TYR 148.A OH GLU 184.A OE2 no hydrogen 2.778 N/A LEU 149.A N GLU 8.A O no hydrogen 2.909 N/A GLN 150.A N LEU 207.A O no hydrogen 2.644 N/A GLN 150.A NE2 GLU 184.A OE2 no hydrogen 2.587 N/A THR 152.A N ASN 210.A OD1 no hydrogen 3.050 N/A THR 152.A OG1 GLU 154.A OE2 no hydrogen 3.351 N/A THR 152.A OG1 THR 155.A OG1 no hydrogen 2.632 N/A GLU 154.A N GLU 154.A OE2 no hydrogen 2.775 N/A THR 155.A N THR 152.A OG1 no hydrogen 3.030 N/A THR 155.A OG1 THR 152.A OG1 no hydrogen 2.632 N/A THR 155.A OG1 ASN 210.A OD1 no hydrogen 3.284 N/A CYS 156.A N THR 152.A O no hydrogen 3.138 N/A CYS 156.A SG ILE 11.A O no hydrogen 3.090 N/A CYS 156.A SG THR 152.A O no hydrogen 3.136 N/A LEU 157.A N PRO 153.A O no hydrogen 2.990 N/A HIS 158.A N GLU 154.A O no hydrogen 3.190 N/A ARG 159.A N THR 155.A O no hydrogen 3.367 N/A ARG 159.A NH1 VAL 209.A O no hydrogen 3.079 N/A ARG 159.A NH2 VAL 209.A O no hydrogen 2.928 N/A ILE 160.A N CYS 156.A O no hydrogen 2.853 N/A TYR 161.A N LEU 157.A O no hydrogen 3.358 N/A LEU 162.A N HIS 158.A O no hydrogen 3.084 N/A ARG 163.A N ARG 159.A O no hydrogen 2.736 N/A ARG 163.A NH1 GLU 168.A OE2 no hydrogen 2.567 N/A GLY 164.A N ILE 160.A O no hydrogen 3.159 N/A ARG 165.A NH1 GLU 168.A OE2 no hydrogen 3.185 N/A GLU 168.A N ARG 165.A O no hydrogen 3.205 N/A ILE 171.A N GLU 168.A O no hydrogen 3.177 N/A TYR 175.A N PRO 172.A O no hydrogen 3.011 N/A LEU 176.A N PRO 172.A O no hydrogen 3.458 N/A GLU 177.A N LEU 173.A O no hydrogen 2.922 N/A LYS 178.A N GLU 174.A O no hydrogen 3.252 N/A LYS 178.A N TYR 175.A O no hydrogen 3.153 N/A LYS 178.A NZ SER 115.A OG no hydrogen 3.253 N/A LEU 179.A N TYR 175.A O no hydrogen 3.242 N/A HIS 180.A N LEU 176.A O no hydrogen 3.056 N/A TYR 181.A N GLU 177.A O no hydrogen 3.317 N/A LYS 182.A N LYS 178.A O no hydrogen 3.147 N/A LYS 182.A NZ GLU 114.A OE1 no hydrogen 3.513 N/A LYS 182.A NZ GLU 114.A OE2 no hydrogen 2.880 N/A HIS 183.A N LEU 179.A O no hydrogen 3.108 N/A HIS 183.A ND1 LEU 179.A O no hydrogen 2.954 N/A GLU 184.A N HIS 180.A O no hydrogen 2.999 N/A SER 185.A N TYR 181.A O no hydrogen 2.927 N/A SER 185.A OG TYR 181.A O no hydrogen 2.618 N/A TRP 186.A N LYS 182.A O no hydrogen 3.185 N/A LEU 187.A N HIS 183.A O no hydrogen 3.000 N/A LEU 188.A N GLU 184.A O no hydrogen 2.980 N/A HIS 189.A N GLU 184.A O no hydrogen 2.980 N/A ARG 190.A NH2 VAL 202.A O no hydrogen 3.447 N/A THR 191.A N SER 185.A O no hydrogen 2.998 N/A THR 194.A OG1 PHE 196.A O no hydrogen 3.239 N/A ASN 195.A N TYR 106.A OH no hydrogen 2.884 N/A ASN 195.A ND2 ASP 131.A OD1 no hydrogen 3.466 N/A PHE 196.A N THR 194.A OG1 no hydrogen 3.357 N/A TYR 198.A OH TYR 102.A OH no hydrogen 2.404 N/A LEU 199.A N PHE 196.A O no hydrogen 2.954 N/A GLN 200.A N ASP 197.A O no hydrogen 3.277 N/A GLN 200.A NE2 LEU 192.A O no hydrogen 2.838 N/A GLU 201.A N TYR 198.A O no hydrogen 2.895 N/A LEU 205.A N ILE 146.A O no hydrogen 2.914 N/A LEU 207.A N TYR 148.A O no hydrogen 2.630 N/A VAL 209.A N GLN 150.A O no hydrogen 3.028 N/A ASN 210.A N ASP 208.A OD1 no hydrogen 3.061 N/A ASN 210.A ND2 ASP 208.A OD1 no hydrogen 2.360 N/A ASN 210.A ND2 ASP 208.A OD2 no hydrogen 3.304 N/A LYS 214.A N ASP 212.A OD2 no hydrogen 2.927 N/A LYS 216.A N PHE 213.A O no hydrogen 3.216 N/A LYS 216.A NZ GLU 211.A OE2 no hydrogen 3.038 N/A VAL 221.A N TYR 217.A O no hydrogen 3.066 N/A GLU 222.A N GLU 218.A O no hydrogen 2.936 N/A LYS 223.A N SER 219.A O no hydrogen 3.184 N/A VAL 224.A N LEU 220.A O no hydrogen 3.078 N/A LYS 225.A N VAL 221.A O no hydrogen 3.017 N/A GLU 226.A N GLU 222.A O no hydrogen 3.091 N/A PHE 227.A N LYS 223.A O no hydrogen 2.950 N/A LEU 228.A N VAL 224.A O no hydrogen 2.762 N/A SER 229.A N LYS 225.A O no hydrogen 3.139 N/A SER 229.A OG GLU 226.A O no hydrogen 2.571 N/A THR 230.A N PHE 227.A O no hydrogen 3.113 N/A THR 230.A OG1 PHE 227.A O no hydrogen 2.463 N/A LEU 231.A N LEU 228.A O no hydrogen 3.348 N/A