Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e4d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N HIS 127.A NE2 no hydrogen 3.107 N/A ASN 2.A N SER 17.A O no hydrogen 2.787 N/A ASN 2.A ND2 SER 17.A OG no hydrogen 3.395 N/A ILE 4.A N VAL 15.A O no hydrogen 2.801 N/A SER 5.A N VAL 15.A O no hydrogen 3.175 N/A ASN 7.A N GLN 13.A O no hydrogen 2.954 N/A ALA 9.A N GLY 12.A O no hydrogen 2.928 N/A GLY 12.A N ALA 9.A O no hydrogen 2.927 N/A GLN 13.A NE2 GLY 14.A O no hydrogen 3.259 N/A GLY 14.A N VAL 30.A O no hydrogen 2.798 N/A VAL 15.A N SER 5.A O no hydrogen 2.877 N/A PHE 16.A N PHE 28.A O no hydrogen 2.884 N/A SER 17.A N ASN 2.A O no hydrogen 2.888 N/A HIS 18.A NE2 TYR 115.A OH no hydrogen 2.735 N/A GLN 19.A NE2 GLU 26.A OE1 no hydrogen 3.389 N/A SER 20.A N SER 25.A O no hydrogen 2.748 N/A SER 20.A OG GLU 119.A OE1 no hydrogen 2.620 N/A GLU 21.A N GLU 119.A OE2 no hydrogen 2.769 N/A THR 22.A N GLU 119.A OE1 no hydrogen 3.214 N/A THR 22.A OG1 GLU 119.A OE1 no hydrogen 2.901 N/A LEU 23.A N SER 20.A OG no hydrogen 3.056 N/A LYS 24.A NZ GLU 21.A O no hydrogen 2.596 N/A LYS 24.A NZ GLU 21.A OE2 no hydrogen 3.514 N/A SER 25.A N SER 20.A O no hydrogen 3.352 N/A SER 25.A OG LEU 23.A O no hydrogen 2.837 N/A SER 25.A OG ARG 80.A O no hydrogen 3.344 N/A PHE 28.A N PHE 16.A O no hydrogen 2.957 N/A ALA 29.A N CYS 74.A O no hydrogen 2.997 N/A VAL 30.A N GLY 14.A O no hydrogen 2.970 N/A TYR 31.A N VAL 72.A O no hydrogen 2.926 N/A TYR 31.A OH ALA 9.A O no hydrogen 2.745 N/A LYS 35.A NZ LEU 68.A O no hydrogen 3.493 N/A ALA 36.A N PRO 33.A O no hydrogen 3.183 N/A ILE 37.A N PRO 34.A O no hydrogen 3.330 N/A HIS 38.A N LYS 35.A O no hydrogen 2.844 N/A GLU 39.A N LYS 35.A O no hydrogen 3.095 N/A CYS 41.A N ARG 129.A O no hydrogen 3.008 N/A CYS 41.A SG GLU 39.A O no hydrogen 3.644 N/A CYS 41.A SG GLY 69.A O no hydrogen 3.665 N/A VAL 43.A N ARG 133.A O no hydrogen 2.908 N/A VAL 44.A N VAL 71.A O no hydrogen 2.764 N/A TRP 45.A N SER 135.A O no hydrogen 2.935 N/A TRP 45.A NE1 GLN 134.A OE1 no hydrogen 2.885 N/A TYR 46.A N VAL 73.A O no hydrogen 2.937 N/A TYR 46.A OH TYR 248.A OH no hydrogen 2.945 N/A LEU 47.A N PHE 137.A O no hydrogen 2.827 N/A THR 51.A N GLY 95.A O no hydrogen 2.928 N/A THR 51.A OG1 LEU 50.A O no hydrogen 2.529 N/A CYS 52.A N GLY 49.A O no hydrogen 3.215 N/A CYS 52.A SG LEU 50.A O no hydrogen 3.799 N/A THR 53.A N ASN 56.A OD1 no hydrogen 3.041 N/A ALA 55.A N THR 53.A OG1 no hydrogen 3.120 N/A LYS 59.A N ASN 56.A O no hydrogen 2.853 N/A GLY 60.A N VAL 57.A O no hydrogen 2.675 N/A TYR 62.A OH GLN 13.A OE1 no hydrogen 2.709 N/A ARG 63.A NH1 GLN 13.A OE1 no hydrogen 2.854 N/A ARG 64.A NH1 ASP 255.A OD2 no hydrogen 2.748 N/A ARG 64.A NH2 ASP 255.A OD1 no hydrogen 3.109 N/A ARG 64.A NH2 ASP 255.A OD2 no hydrogen 3.003 N/A SER 66.A N ARG 63.A O no hydrogen 2.817 N/A SER 66.A OG PHE 10.A O no hydrogen 2.583 N/A GLU 67.A N ARG 64.A O no hydrogen 3.125 N/A GLY 69.A N SER 66.A O no hydrogen 3.422 N/A LEU 70.A N ALA 65.A O no hydrogen 2.877 N/A VAL 71.A N PRO 42.A O no hydrogen 2.955 N/A VAL 72.A N TYR 31.A O no hydrogen 3.090 N/A VAL 73.A N VAL 44.A O no hydrogen 2.945 N/A CYS 74.A N ALA 29.A O no hydrogen 2.916 N/A THR 77.A N ASP 76.A OD1 no hydrogen 2.684 N/A THR 77.A OG1 CYS 52.A O no hydrogen 2.683 N/A THR 77.A OG1 ASP 76.A OD1 no hydrogen 3.440 N/A SER 78.A OG PRO 79.A O no hydrogen 3.120 N/A ARG 80.A NE ASP 76.A OD2 no hydrogen 2.939 N/A ARG 80.A NH2 ASP 76.A OD1 no hydrogen 2.965 N/A VAL 84.A N GLY 81.A O no hydrogen 3.260 N/A ASN 90.A N GLU 87.A O no hydrogen 3.334 N/A GLN 92.A N ASN 90.A OD1 no hydrogen 2.908 N/A LYS 94.A N ASP 86.A OD1 no hydrogen 2.999 N/A LYS 94.A NZ GLY 81.A O no hydrogen 2.867 N/A GLY 95.A N SER 78.A OG no hydrogen 2.640 N/A ALA 96.A N GLY 93.A O no hydrogen 2.957 N/A GLY 97.A N THR 77.A O no hydrogen 3.056 N/A TYR 99.A OH SER 48.A O no hydrogen 2.658 N/A ASP 101.A N TYR 191.A OH no hydrogen 3.094 N/A ALA 102.A N TYR 111.A O no hydrogen 2.819 N/A THR 103.A N TYR 180.A O no hydrogen 2.918 N/A THR 103.A OG1 GLU 104.A OE2 no hydrogen 3.066 N/A THR 103.A OG1 TYR 180.A O no hydrogen 3.489 N/A GLU 104.A N TYR 180.A O no hydrogen 3.047 N/A SER 108.A N GLU 104.A O no hydrogen 2.791 N/A SER 108.A OG GLU 105.A OE2 no hydrogen 2.869 N/A HIS 110.A ND1 LEU 23.A O no hydrogen 2.956 N/A TYR 111.A N TRP 107.A O no hydrogen 2.835 N/A TYR 111.A OH PRO 85.A O no hydrogen 2.687 N/A GLN 112.A N HIS 110.A O no hydrogen 2.954 N/A GLN 112.A NE2 ALA 102.A O no hydrogen 3.023 N/A GLN 112.A NE2 SER 108.A O no hydrogen 2.622 N/A SER 114.A N ASP 101.A OD1 no hydrogen 2.986 N/A SER 114.A OG ASP 101.A OD1 no hydrogen 3.336 N/A SER 114.A OG ASP 101.A OD2 no hydrogen 2.451 N/A TYR 115.A N GLN 112.A O no hydrogen 2.880 N/A TYR 115.A OH HIS 18.A NE2 no hydrogen 2.735 N/A THR 117.A N TYR 113.A O no hydrogen 3.034 N/A THR 117.A OG1 TYR 113.A O no hydrogen 2.565 N/A GLU 118.A N SER 114.A O no hydrogen 3.000 N/A GLU 119.A N SER 114.A O no hydrogen 3.296 N/A LEU 120.A N TYR 115.A O no hydrogen 2.927 N/A ALA 122.A N GLU 118.A O no hydrogen 3.126 N/A LEU 123.A N GLU 119.A O no hydrogen 3.081 N/A ILE 124.A N LEU 120.A O no hydrogen 2.859 N/A GLY 125.A N PRO 121.A O no hydrogen 3.076 N/A GLN 126.A N ALA 122.A O no hydrogen 2.997 N/A HIS 127.A N LEU 123.A O no hydrogen 3.023 N/A HIS 127.A N ILE 124.A O no hydrogen 3.259 N/A PHE 128.A N ILE 124.A O no hydrogen 2.811 N/A ARG 129.A NE ALA 36.A O no hydrogen 2.769 N/A ARG 129.A NH2 ALA 36.A O no hydrogen 3.230 N/A ALA 130.A N PHE 128.A O no hydrogen 2.816 N/A ASP 131.A N CYS 41.A O no hydrogen 2.756 N/A SER 132.A OG ASP 131.A OD1 no hydrogen 2.575 N/A SER 132.A OG ASP 131.A OD2 no hydrogen 3.506 N/A ARG 133.A N ASP 131.A O no hydrogen 3.113 N/A ARG 133.A NE ASP 131.A OD2 no hydrogen 2.835 N/A ARG 133.A NH1 GLY 266.A OXT no hydrogen 3.033 N/A ARG 133.A NH2 ASP 131.A OD2 no hydrogen 2.915 N/A SER 135.A N VAL 43.A O no hydrogen 2.924 N/A SER 135.A OG SER 157.A OG no hydrogen 2.534 N/A ILE 136.A N SER 157.A O no hydrogen 3.249 N/A PHE 137.A N TRP 45.A O no hydrogen 2.837 N/A HIS 139.A N LEU 47.A O no hydrogen 2.938 N/A SER 140.A N PHE 161.A O no hydrogen 3.021 N/A SER 140.A OG HIS 246.A NE2 no hydrogen 3.242 N/A HIS 143.A N SER 140.A O no hydrogen 2.927 N/A HIS 143.A NE2 PHE 98.A O no hydrogen 2.745 N/A ALA 145.A N GLY 141.A O no hydrogen 2.716 N/A THR 146.A OG1 HIS 143.A O no hydrogen 2.790 N/A THR 146.A OG1 GLY 144.A O no hydrogen 3.164 N/A ILE 147.A N GLY 144.A O no hydrogen 3.037 N/A ALA 148.A N ALA 145.A O no hydrogen 2.987 N/A LYS 150.A N THR 146.A O no hydrogen 2.989 N/A LYS 150.A NZ ARG 190.A O no hydrogen 2.683 N/A ASN 151.A N ALA 148.A O no hydrogen 3.119 N/A ASN 151.A ND2 TYR 113.A OH no hydrogen 2.793 N/A ASN 151.A ND2 ILE 147.A O no hydrogen 2.930 N/A ARG 154.A N ASN 151.A O no hydrogen 3.134 N/A ARG 154.A NH1 GLU 118.A OE2 no hydrogen 3.054 N/A ARG 154.A NH2 GLU 118.A OE2 no hydrogen 3.140 N/A LYS 156.A N GLN 134.A O no hydrogen 2.905 N/A SER 157.A OG SER 135.A OG no hydrogen 2.534 N/A SER 157.A OG HIS 261.A ND1 no hydrogen 2.688 N/A CYS 158.A SG ILE 136.A O no hydrogen 3.570 N/A SER 159.A N ILE 136.A O no hydrogen 3.390 N/A SER 159.A OG HIS 257.A ND1 no hydrogen 2.731 N/A SER 159.A OG HIS 261.A NE2 no hydrogen 2.738 N/A ALA 160.A N LEU 207.A O no hydrogen 2.799 N/A PHE 161.A N GLY 138.A O no hydrogen 3.023 N/A ALA 162.A N ASP 209.A O no hydrogen 2.829 N/A ILE 164.A N SER 140.A O no hydrogen 3.118 N/A SER 168.A N ASP 192.A OD2 no hydrogen 3.019 N/A SER 168.A OG ASP 192.A OD2 no hydrogen 2.698 N/A SER 169.A N ALA 166.A O no hydrogen 3.323 N/A ASP 171.A N LYS 219.A O no hydrogen 3.388 N/A TRP 172.A NE1 GLY 220.A O no hydrogen 3.046 N/A SER 173.A N ALA 170.A O no hydrogen 3.227 N/A SER 173.A OG PRO 167.A O no hydrogen 2.667 N/A SER 173.A OG ALA 170.A O no hydrogen 3.351 N/A GLU 174.A N ALA 170.A O no hydrogen 2.942 N/A LEU 177.A N SER 173.A O no hydrogen 2.934 N/A GLU 178.A N GLU 174.A O no hydrogen 3.032 N/A LYS 179.A N PRO 175.A O no hydrogen 2.968 N/A TYR 180.A N ALA 176.A O no hydrogen 2.921 N/A TYR 180.A OH ALA 96.A O no hydrogen 2.692 N/A LEU 181.A N LEU 177.A O no hydrogen 2.876 N/A GLY 182.A N GLU 178.A O no hydrogen 2.962 N/A ARG 185.A NH1 GLU 174.A OE2 no hydrogen 2.555 N/A ARG 185.A NH2 GLU 174.A OE2 no hydrogen 3.090 N/A TRP 188.A N ARG 185.A O no hydrogen 3.199 N/A TRP 188.A NE1 GLY 182.A O no hydrogen 2.939 N/A ARG 189.A N ALA 186.A O no hydrogen 3.248 N/A ARG 189.A NE ASP 199.A OD2 no hydrogen 2.893 N/A ARG 189.A NH2 GLU 198.A OE1 no hydrogen 2.741 N/A ARG 189.A NH2 ASP 199.A OD1 no hydrogen 3.251 N/A TYR 191.A N TRP 188.A O no hydrogen 2.787 N/A CYS 194.A N VAL 165.A O no hydrogen 3.349 N/A CYS 194.A SG VAL 165.A O no hydrogen 3.334 N/A SER 195.A N ASP 192.A OD1 no hydrogen 3.072 N/A LEU 196.A N ASP 192.A O no hydrogen 2.850 N/A VAL 197.A N ALA 193.A O no hydrogen 3.156 N/A GLU 198.A N CYS 194.A O no hydrogen 2.982 N/A ASP 199.A N SER 195.A O no hydrogen 2.997 N/A GLY 200.A N VAL 197.A O no hydrogen 2.958 N/A ALA 201.A N LEU 196.A O no hydrogen 2.917 N/A ARG 202.A NH1 VAL 197.A O no hydrogen 2.982 N/A ARG 202.A NH1 ALA 201.A O no hydrogen 2.936 N/A PHE 206.A N GLY 236.A O no hydrogen 2.877 N/A LEU 207.A N CYS 158.A O no hydrogen 3.270 N/A ILE 208.A N THR 238.A O no hydrogen 2.941 N/A ASP 209.A N ALA 160.A O no hydrogen 2.982 N/A GLN 210.A N ARG 240.A O no hydrogen 2.942 N/A GLN 210.A NE2 GLY 211.A O no hydrogen 2.920 N/A GLN 210.A NE2 ASP 214.A OD2 no hydrogen 3.004 N/A LYS 212.A N HIS 241.A O no hydrogen 2.837 N/A LYS 212.A NZ ASP 242.A OD1 no hydrogen 2.695 N/A ALA 213.A N TYR 244.A O no hydrogen 2.984 N/A PHE 216.A N ASP 214.A OD1 no hydrogen 3.003 N/A LEU 217.A N ASP 214.A O no hydrogen 3.110 N/A GLY 220.A N PHE 216.A O no hydrogen 2.820 N/A ARG 222.A N LEU 217.A O no hydrogen 2.972 N/A ARG 222.A NH1 SER 169.A O no hydrogen 3.225 N/A ARG 222.A NH2 SER 169.A OG no hydrogen 2.925 N/A LEU 225.A N ARG 222.A O no hydrogen 3.014 N/A PHE 226.A N PRO 223.A O no hydrogen 2.920 N/A GLU 227.A N PRO 223.A O no hydrogen 3.206 N/A GLU 228.A N TRP 224.A O no hydrogen 2.792 N/A ALA 229.A N LEU 225.A O no hydrogen 2.925 N/A ILE 230.A N PHE 226.A O no hydrogen 3.028 N/A LYS 231.A N GLU 228.A O no hydrogen 3.195 N/A THR 233.A N ILE 230.A O no hydrogen 2.953 N/A THR 233.A OG1 ILE 230.A O no hydrogen 2.646 N/A ILE 235.A N THR 233.A OG1 no hydrogen 3.237 N/A GLY 236.A N PRO 204.A O no hydrogen 3.030 N/A THR 238.A N PHE 206.A O no hydrogen 2.957 N/A ARG 240.A N ILE 208.A O no hydrogen 2.918 N/A ARG 240.A NE ASP 209.A OD1 no hydrogen 2.586 N/A ARG 240.A NH1 ASP 256.A OD2 no hydrogen 3.154 N/A ARG 240.A NH2 ASP 209.A OD1 no hydrogen 3.111 N/A ARG 240.A NH2 ASP 209.A OD2 no hydrogen 2.694 N/A ARG 240.A NH2 ASP 256.A OD2 no hydrogen 2.913 N/A HIS 241.A NE2 ASP 209.A OD1 no hydrogen 2.760 N/A HIS 246.A ND1 ASP 214.A OD2 no hydrogen 2.755 N/A SER 247.A N ASP 245.A OD1 no hydrogen 2.965 N/A SER 247.A OG ASP 245.A OD1 no hydrogen 2.602 N/A TYR 248.A OH TYR 46.A OH no hydrogen 2.945 N/A TYR 249.A N SER 247.A OG no hydrogen 3.324 N/A PHE 250.A N SER 247.A O no hydrogen 3.196 N/A ILE 251.A N SER 247.A O no hydrogen 3.199 N/A SER 252.A N TYR 248.A O no hydrogen 2.891 N/A SER 252.A OG TYR 248.A O no hydrogen 2.628 N/A SER 252.A OG TYR 249.A O no hydrogen 3.320 N/A THR 253.A N TYR 249.A O no hydrogen 3.431 N/A THR 253.A OG1 TYR 249.A O no hydrogen 2.637 N/A PHE 254.A N PHE 250.A O no hydrogen 3.263 N/A HIS 257.A N PHE 254.A O no hydrogen 3.312 N/A HIS 257.A ND1 SER 159.A OG no hydrogen 2.731 N/A HIS 257.A NE2 ASP 209.A OD2 no hydrogen 2.705 N/A LYS 259.A N ASP 255.A O no hydrogen 2.939 N/A TRP 260.A N ASP 256.A O no hydrogen 2.912 N/A HIS 261.A N HIS 257.A O no hydrogen 3.049 N/A HIS 261.A ND1 SER 157.A OG no hydrogen 2.688 N/A HIS 261.A NE2 SER 159.A OG no hydrogen 2.738 N/A ALA 262.A N LEU 258.A O no hydrogen 2.900 N/A GLU 263.A N LYS 259.A O no hydrogen 2.934 N/A ARG 264.A N TRP 260.A O no hydrogen 3.316 N/A ARG 264.A NE GLU 205.A OE2 no hydrogen 2.745 N/A ARG 264.A NH1 TRP 260.A O no hydrogen 2.841 N/A ARG 264.A NH2 GLU 205.A OE2 no hydrogen 3.458 N/A LEU 265.A N HIS 261.A O no hydrogen 2.653 N/A