Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q1e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 ALA 90.A O no hydrogen 3.174 N/A ARG 1.A NH2 ALA 90.A O no hydrogen 3.188 N/A LYS 3.A N PRO 93.A O no hydrogen 3.128 N/A LYS 3.A NZ LEU 228.A O no hydrogen 2.741 N/A LYS 4.A N ASP 144.A OD2 no hydrogen 2.683 N/A LYS 4.A NZ SER 140.A O no hydrogen 2.997 N/A LYS 4.A NZ GLU 142.A O no hydrogen 2.477 N/A ILE 5.A N LEU 95.A O no hydrogen 2.962 N/A SER 6.A N GLY 145.A O no hydrogen 3.273 N/A SER 6.A OG.A GLU 8.A OE1 no hydrogen 2.490 N/A SER 6.A OG.B GLU 8.A OE1 no hydrogen 3.193 N/A ILE 7.A N PHE 97.A O no hydrogen 2.808 N/A GLU 8.A N ILE 147.A O no hydrogen 2.809 N/A ASN 10.A ND2 LEU 176.A O no hydrogen 3.117 N/A ILE 11.A N ASN 10.A OD1 no hydrogen 2.683 N/A ALA 13.A N ASN 10.A O no hydrogen 3.011 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.107 N/A LYS 15.A NZ ASN 10.A O no hydrogen 2.823 N/A PHE 18.A N GLY 14.A O no hydrogen 3.024 N/A VAL 19.A N LYS 15.A O no hydrogen 2.923 N/A ASN 20.A N SER 16.A O no hydrogen 3.137 N/A ILE 21.A N THR 17.A O no hydrogen 3.122 N/A LEU 22.A N PHE 18.A O no hydrogen 2.722 N/A LYS 23.A N VAL 19.A O no hydrogen 2.737 N/A GLN 24.A N ILE 21.A O no hydrogen 3.167 N/A LEU 25.A N LEU 22.A O no hydrogen 3.270 N/A ASP 28.A N SER 26.A OG no hydrogen 2.907 N/A TRP 29.A N SER 26.A O no hydrogen 2.604 N/A GLU 30.A N VAL 94.A O no hydrogen 3.100 N/A VAL 31.A N GLU 30.A OE1 no hydrogen 2.918 N/A VAL 32.A N PHE 96.A O no hydrogen 2.836 N/A GLU 34.A N GLU 98.A OE2 no hydrogen 2.960 N/A ARG 38.A N GLU 34.A O no hydrogen 3.213 N/A ARG 38.A NH2 GLU 45.A OE2 no hydrogen 2.641 N/A TRP 39.A N PRO 35.A O no hydrogen 3.049 N/A SER 40.A N VAL 36.A O no hydrogen 3.021 N/A SER 40.A N ALA 37.A O no hydrogen 3.251 N/A SER 40.A OG VAL 36.A O no hydrogen 2.693 N/A ASN 41.A N ARG 38.A O no hydrogen 3.332 N/A ASN 41.A ND2 ALA 37.A O no hydrogen 3.668 N/A GLN 46.A N THR 43.A OG1 no hydrogen 3.078 N/A LYS 47.A N THR 43.A O no hydrogen 2.924 N/A ASN 48.A N MET 44.A O no hydrogen 2.924 N/A ASN 48.A ND2 TYR 70.A OH no hydrogen 3.488 N/A GLY 49.A N GLU 45.A O no hydrogen 2.897 N/A GLY 50.A N GLN 46.A O no hydrogen 2.744 N/A ASN 51.A N LYS 47.A O no hydrogen 3.045 N/A VAL 52.A N ASN 48.A O no hydrogen 2.865 N/A LEU 53.A N GLY 49.A O no hydrogen 2.776 N/A GLN 54.A N GLY 50.A O no hydrogen 3.109 N/A MET 55.A N ASN 51.A O no hydrogen 3.057 N/A MET 56.A N VAL 52.A O no hydrogen 2.932 N/A TYR 57.A N LEU 53.A O no hydrogen 3.182 N/A GLU 58.A N GLN 54.A O no hydrogen 3.065 N/A LYS 59.A N MET 55.A O no hydrogen 2.866 N/A GLU 61.A N GLU 61.A OE1 no hydrogen 2.746 N/A ARG 62.A N LYS 59.A O no hydrogen 3.109 N/A ARG 62.A NH1 ARG 62.A O no hydrogen 2.981 N/A TRP 63.A N LYS 59.A O no hydrogen 3.277 N/A SER 64.A N PRO 60.A O no hydrogen 3.098 N/A SER 64.A OG PRO 60.A O no hydrogen 2.826 N/A PHE 67.A N TRP 63.A O no hydrogen 2.831 N/A GLN 68.A N SER 64.A O no hydrogen 2.856 N/A THR 69.A N PHE 65.A O no hydrogen 2.983 N/A THR 69.A OG1 THR 66.A O no hydrogen 3.255 N/A TYR 70.A N THR 66.A O no hydrogen 3.028 N/A ALA 71.A N PHE 67.A O no hydrogen 2.749 N/A CYS 72.A N GLN 68.A O no hydrogen 3.141 N/A CYS 72.A SG ASP 104.A OD2 no hydrogen 3.613 N/A LEU 73.A N THR 69.A O no hydrogen 2.975 N/A SER 74.A N TYR 70.A O no hydrogen 3.004 N/A SER 74.A OG TYR 70.A O no hydrogen 2.957 N/A ARG 75.A N ALA 71.A O no hydrogen 2.983 N/A ARG 75.A NE ASP 104.A OD1 no hydrogen 3.390 N/A ARG 75.A NE ASP 104.A OD2 no hydrogen 2.758 N/A ARG 75.A NH1 GLU 98.A O no hydrogen 2.765 N/A ARG 75.A NH2 GLU 34.A OE1 no hydrogen 2.895 N/A ARG 75.A NH2 ASP 104.A OD1 no hydrogen 2.737 N/A ILE 76.A N CYS 72.A O no hydrogen 2.921 N/A ARG 77.A N LEU 73.A O no hydrogen 3.122 N/A ALA 78.A N SER 74.A O no hydrogen 3.088 N/A GLN 79.A N ARG 75.A O no hydrogen 3.057 N/A GLN 79.A NE2 ARG 99.A O no hydrogen 3.473 N/A LEU 80.A N ILE 76.A O no hydrogen 2.990 N/A ALA 81.A N ARG 77.A O no hydrogen 2.722 N/A SER 82.A N ALA 78.A O no hydrogen 2.828 N/A SER 82.A OG.A ALA 78.A O no hydrogen 3.311 N/A SER 82.A OG.B ALA 78.A O no hydrogen 3.007 N/A LEU 83.A N GLN 79.A O no hydrogen 3.267 N/A ASN 84.A N LEU 80.A O no hydrogen 3.099 N/A ASN 84.A ND2 LEU 80.A O no hydrogen 3.132 N/A GLY 85.A N ALA 81.A O no hydrogen 2.926 N/A LYS 86.A N SER 82.A O no hydrogen 3.178 N/A LYS 88.A NZ ASN 84.A O no hydrogen 2.731 N/A LYS 92.A N ASP 28.A OD2 no hydrogen 2.704 N/A VAL 94.A N ASP 28.A O no hydrogen 3.096 N/A LEU 95.A N LYS 3.A O no hydrogen 2.916 N/A PHE 96.A N GLU 30.A O no hydrogen 2.725 N/A PHE 97.A N ILE 5.A O no hydrogen 2.616 N/A GLU 98.A N VAL 32.A O no hydrogen 2.889 N/A ARG 99.A N ILE 7.A O no hydrogen 2.830 N/A ARG 99.A NE GLY 9.A O no hydrogen 3.209 N/A ARG 99.A NH2 GLY 9.A O no hydrogen 2.665 N/A SER 100.A N SER 103.A OG no hydrogen 3.171 N/A SER 100.A OG GLU 8.A OE1 no hydrogen 2.700 N/A TYR 102.A N SER 100.A OG no hydrogen 3.141 N/A TYR 102.A OH TYR 198.A OH no hydrogen 2.706 N/A SER 103.A OG GLU 8.A OE1 no hydrogen 3.349 N/A SER 103.A OG GLU 8.A OE2 no hydrogen 2.572 N/A SER 103.A OG SER 100.A O no hydrogen 3.327 N/A ASP 104.A N SER 100.A O no hydrogen 3.207 N/A ARG 105.A NH1 HIS 130.A ND1 no hydrogen 3.008 N/A ARG 105.A NH1 ASP 131.A OD1 no hydrogen 2.887 N/A TYR 106.A N TYR 102.A O no hydrogen 2.922 N/A ILE 107.A N SER 103.A O no hydrogen 3.051 N/A PHE 108.A N SER 103.A O no hydrogen 3.089 N/A ALA 109.A N ASP 104.A O no hydrogen 3.002 N/A SER 110.A N ARG 105.A O no hydrogen 2.879 N/A ASN 111.A N ILE 107.A O no hydrogen 3.019 N/A LEU 112.A N PHE 108.A O no hydrogen 2.898 N/A TYR 113.A N ALA 109.A O no hydrogen 2.910 N/A GLU 114.A N SER 110.A O no hydrogen 2.794 N/A SER 115.A N ASN 111.A O no hydrogen 2.840 N/A SER 115.A OG.A ASN 111.A O no hydrogen 2.858 N/A SER 115.A OG.B LEU 112.A O no hydrogen 3.402 N/A SER 115.A OG.B SER 117.A OG no hydrogen 2.771 N/A GLU 116.A N TYR 113.A O no hydrogen 3.141 N/A SER 117.A N LEU 112.A O no hydrogen 2.749 N/A SER 117.A OG SER 115.A OG.B no hydrogen 2.771 N/A MET 118.A N LEU 112.A O no hydrogen 3.041 N/A ASN 119.A N GLU 122.A OE1 no hydrogen 2.800 N/A GLU 122.A N ASN 119.A OD1 no hydrogen 2.947 N/A TRP 123.A N ASN 119.A O no hydrogen 3.086 N/A THR 124.A N GLU 120.A O no hydrogen 2.849 N/A THR 124.A OG1 GLU 120.A O no hydrogen 2.947 N/A ILE 125.A N THR 121.A O no hydrogen 2.953 N/A TYR 126.A N GLU 122.A O no hydrogen 2.927 N/A GLN 127.A N TRP 123.A O no hydrogen 2.914 N/A GLN 127.A NE2 TRP 123.A O no hydrogen 3.335 N/A ASP 128.A N THR 124.A O no hydrogen 2.710 N/A TRP 129.A N ILE 125.A O no hydrogen 2.880 N/A HIS 130.A N TYR 126.A O no hydrogen 2.777 N/A HIS 130.A NE2 VAL 101.A O no hydrogen 2.905 N/A ASP 131.A N GLN 127.A O no hydrogen 3.218 N/A TRP 132.A N TRP 129.A O no hydrogen 2.644 N/A MET 133.A N TRP 129.A O no hydrogen 2.693 N/A ASN 134.A N HIS 130.A O no hydrogen 3.086 N/A ASN 134.A ND2 HIS 130.A O no hydrogen 2.928 N/A GLN 136.A N TRP 132.A O no hydrogen 2.850 N/A PHE 137.A N MET 133.A O no hydrogen 2.933 N/A GLY 138.A N ASN 134.A O no hydrogen 2.549 N/A LEU 141.A N GLY 138.A O no hydrogen 3.113 N/A GLU 142.A N GLN 139.A O no hydrogen 3.356 N/A LEU 143.A N TYR 198.A OH no hydrogen 2.826 N/A ASP 144.A N LYS 4.A O no hydrogen 2.843 N/A GLY 145.A N LYS 4.A O no hydrogen 3.386 N/A ILE 146.A N PRO 203.A O no hydrogen 2.977 N/A ILE 147.A N SER 6.A O no hydrogen 2.811 N/A TYR 148.A N LEU 205.A O no hydrogen 2.746 N/A TYR 148.A OH GLU 184.A OE2 no hydrogen 2.860 N/A LEU 149.A N GLU 8.A O no hydrogen 2.901 N/A GLN 150.A N LEU 207.A O no hydrogen 2.856 N/A GLN 150.A NE2 GLU 184.A OE1 no hydrogen 3.220 N/A GLN 150.A NE2 GLU 184.A OE2 no hydrogen 2.910 N/A THR 152.A N ASN 210.A OD1 no hydrogen 2.935 N/A THR 152.A OG1 THR 155.A OG1 no hydrogen 2.628 N/A THR 155.A N THR 152.A OG1 no hydrogen 2.627 N/A THR 155.A OG1 THR 152.A OG1 no hydrogen 2.628 N/A THR 155.A OG1 ASN 210.A OD1 no hydrogen 2.492 N/A CYS 156.A N THR 152.A O no hydrogen 3.318 N/A CYS 156.A SG ILE 11.A O no hydrogen 3.352 N/A CYS 156.A SG THR 152.A O no hydrogen 3.774 N/A LEU 157.A N PRO 153.A O no hydrogen 3.100 N/A HIS 158.A N GLU 154.A O no hydrogen 2.990 N/A ARG 159.A N THR 155.A O no hydrogen 2.828 N/A ARG 159.A NH1 ALA 13.A O no hydrogen 2.905 N/A ARG 159.A NH1 VAL 209.A O no hydrogen 2.834 N/A ARG 159.A NH2 VAL 209.A O no hydrogen 3.197 N/A ARG 159.A NH2 GLU 211.A O no hydrogen 3.302 N/A ILE 160.A N CYS 156.A O no hydrogen 2.802 N/A TYR 161.A N LEU 157.A O no hydrogen 3.401 N/A LEU 162.A N HIS 158.A O no hydrogen 3.321 N/A ARG 163.A N ARG 159.A O no hydrogen 3.075 N/A ARG 163.A NH1 GLU 168.A OE1 no hydrogen 2.888 N/A ARG 163.A NH1 GLU 168.A OE2 no hydrogen 3.037 N/A GLY 164.A N ILE 160.A O no hydrogen 3.129 N/A ARG 165.A NH1 GLU 168.A OE2 no hydrogen 2.726 N/A ARG 165.A NH2 ASN 41.A OD1 no hydrogen 2.880 N/A GLU 168.A N ARG 165.A O no hydrogen 2.815 N/A GLN 169.A N ASN 166.A O no hydrogen 2.919 N/A GLN 169.A NE2 ILE 160.A O no hydrogen 3.621 N/A GLN 169.A NE2 ARG 165.A O no hydrogen 2.910 N/A ILE 171.A N GLU 168.A O no hydrogen 3.159 N/A LEU 176.A N PRO 172.A O no hydrogen 3.257 N/A GLU 177.A N LEU 173.A O no hydrogen 2.695 N/A LYS 178.A N GLU 174.A O no hydrogen 3.069 N/A LEU 179.A N TYR 175.A O no hydrogen 3.011 N/A HIS 180.A N LEU 176.A O no hydrogen 2.818 N/A TYR 181.A N GLU 177.A O no hydrogen 3.154 N/A LYS 182.A N LYS 178.A O no hydrogen 3.262 N/A LYS 182.A NZ SER 110.A OG no hydrogen 3.060 N/A LYS 182.A NZ GLU 114.A OE1 no hydrogen 2.306 N/A HIS 183.A N LEU 179.A O no hydrogen 3.027 N/A HIS 183.A ND1 LEU 179.A O no hydrogen 2.701 N/A GLU 184.A N HIS 180.A O no hydrogen 2.836 N/A SER 185.A N TYR 181.A O no hydrogen 2.824 N/A SER 185.A OG TYR 181.A O no hydrogen 2.996 N/A TRP 186.A N LYS 182.A O no hydrogen 3.068 N/A LEU 187.A N HIS 183.A O no hydrogen 2.872 N/A LEU 188.A N GLU 184.A O no hydrogen 2.802 N/A HIS 189.A N GLU 184.A O no hydrogen 3.201 N/A ARG 190.A NH1 VAL 202.A O no hydrogen 3.206 N/A ARG 190.A NH2 LEU 199.A O no hydrogen 3.147 N/A ARG 190.A NH2 VAL 202.A O no hydrogen 2.806 N/A THR 191.A N SER 185.A O no hydrogen 2.770 N/A THR 194.A OG1 PHE 196.A O no hydrogen 3.451 N/A ASN 195.A N TYR 106.A OH no hydrogen 3.126 N/A TYR 198.A OH TYR 102.A OH no hydrogen 2.706 N/A LEU 199.A N PHE 196.A O no hydrogen 3.313 N/A GLN 200.A N ASP 197.A O no hydrogen 3.374 N/A GLU 201.A N TYR 198.A O no hydrogen 3.240 N/A VAL 202.A N LEU 199.A O no hydrogen 3.074 N/A LEU 205.A N ILE 146.A O no hydrogen 2.780 N/A LEU 207.A N TYR 148.A O no hydrogen 2.774 N/A VAL 209.A N GLN 150.A O no hydrogen 2.871 N/A ASN 210.A N ASP 208.A OD1 no hydrogen 2.876 N/A ASN 210.A ND2 ASP 208.A OD1 no hydrogen 2.680 N/A LYS 216.A N PHE 213.A O no hydrogen 2.885 N/A LYS 216.A NZ GLU 211.A OE1 no hydrogen 3.445 N/A VAL 221.A N TYR 217.A O no hydrogen 3.191 N/A GLU 222.A N GLU 218.A O no hydrogen 2.939 N/A LYS 223.A N SER 219.A O no hydrogen 3.208 N/A VAL 224.A N LEU 220.A O no hydrogen 3.097 N/A LYS 225.A N VAL 221.A O no hydrogen 2.772 N/A GLU 226.A N GLU 222.A O no hydrogen 2.992 N/A PHE 227.A N LYS 223.A O no hydrogen 2.773 N/A LEU 228.A N VAL 224.A O no hydrogen 2.675 N/A SER 229.A N LYS 225.A O no hydrogen 2.867 N/A SER 229.A OG GLU 226.A O no hydrogen 2.799 N/A THR 230.A N GLU 226.A O no hydrogen 3.237 N/A THR 230.A N PHE 227.A O no hydrogen 2.792 N/A THR 230.A OG1 PHE 227.A O no hydrogen 2.904 N/A LEU 231.A N LEU 228.A O no hydrogen 3.446 N/A