Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4yp8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 81.A O no hydrogen 3.068 N/A PHE 5.A N PHE 83.A O no hydrogen 2.895 N/A PHE 7.A N ASP 86.A OD2 no hydrogen 2.911 N/A GLU 9.A N SER 6.A O no hydrogen 3.255 N/A LEU 10.A N SER 6.A O no hydrogen 3.438 N/A LYS 11.A N PHE 7.A O no hydrogen 3.067 N/A LYS 11.A NZ ASN 16.A OD1 no hydrogen 2.823 N/A ASN 12.A N TYR 8.A O no hydrogen 3.312 N/A ASN 12.A ND2 TYR 8.A O no hydrogen 2.652 N/A VAL 13.A N GLU 9.A O no hydrogen 3.074 N/A THR 14.A N LEU 10.A O no hydrogen 3.117 N/A THR 14.A OG1 LEU 10.A O no hydrogen 2.609 N/A THR 14.A OG1 LYS 11.A O no hydrogen 3.459 N/A ASN 15.A N ASN 12.A O no hydrogen 3.463 N/A ASN 15.A ND2 ASP 18.A OD2 no hydrogen 3.355 N/A ASN 16.A N LYS 11.A O no hydrogen 2.632 N/A PHE 17.A N THR 14.A OG1 no hydrogen 3.320 N/A ASP 18.A N THR 14.A O no hydrogen 3.499 N/A ARG 20.A N ASP 18.A OD1 no hydrogen 3.354 N/A ARG 20.A NH1 ASP 18.A OD2 no hydrogen 2.969 N/A ARG 20.A NH2 VAL 24.A O no hydrogen 3.221 N/A GLY 25.A N ILE 22.A O no hydrogen 3.107 N/A GLY 26.A N PRO 21.A O no hydrogen 2.903 N/A ASN 27.A ND2 LYS 39.A O no hydrogen 3.013 N/A LYS 28.A N ARG 20.A O no hydrogen 2.975 N/A LYS 28.A NZ GLU 19.A OE1 no hydrogen 3.347 N/A LYS 28.A NZ GLU 31.A OE1 no hydrogen 2.770 N/A MET 29.A N VAL 37.A O no hydrogen 2.839 N/A GLY 32.A N GLY 35.A O no hydrogen 3.416 N/A VAL 36.A N LYS 51.A O no hydrogen 3.002 N/A VAL 37.A N GLY 30.A O no hydrogen 2.782 N/A TYR 38.A N VAL 49.A O no hydrogen 2.808 N/A TYR 38.A OH GLU 19.A OE2 no hydrogen 3.000 N/A LYS 39.A N ASN 27.A O no hydrogen 2.828 N/A LYS 39.A NZ TYR 96.A OH no hydrogen 2.775 N/A GLY 40.A N VAL 47.A O no hydrogen 3.002 N/A VAL 42.A N THR 45.A O no hydrogen 2.837 N/A THR 45.A N VAL 42.A O no hydrogen 2.860 N/A THR 45.A OG1 ASN 43.A O no hydrogen 3.092 N/A VAL 47.A N GLY 40.A O no hydrogen 2.628 N/A ALA 48.A N TYR 94.A O no hydrogen 2.977 N/A VAL 49.A N TYR 38.A O no hydrogen 2.871 N/A LYS 50.A N LEU 92.A O no hydrogen 2.826 N/A LYS 50.A NZ TYR 94.A OH no hydrogen 3.023 N/A LYS 50.A NZ ASP 161.A OD1 no hydrogen 3.227 N/A LYS 51.A N VAL 36.A O no hydrogen 2.786 N/A LYS 51.A NZ TYR 38.A OH no hydrogen 3.340 N/A LEU 52.A N LEU 90.A O no hydrogen 2.770 N/A ALA 53.A N PHE 34.A O no hydrogen 3.060 N/A LEU 58.A N THR 54.A O no hydrogen 3.192 N/A LYS 59.A N THR 55.A O no hydrogen 3.216 N/A LYS 59.A NZ ASP 63.A OD1 no hydrogen 3.510 N/A GLN 60.A N GLU 56.A O no hydrogen 3.229 N/A GLN 61.A N GLU 57.A O no hydrogen 2.958 N/A PHE 62.A N LEU 58.A O no hydrogen 3.096 N/A ASP 63.A N LYS 59.A O no hydrogen 3.016 N/A GLN 64.A N GLN 60.A O no hydrogen 2.986 N/A GLU 65.A N GLN 61.A O no hydrogen 3.165 N/A ILE 66.A N PHE 62.A O no hydrogen 3.271 N/A LYS 67.A N ASP 63.A O no hydrogen 3.056 N/A VAL 68.A N GLN 64.A O no hydrogen 2.779 N/A MET 69.A N GLU 65.A O no hydrogen 2.901 N/A ALA 70.A N ILE 66.A O no hydrogen 2.902 N/A LYS 71.A N LYS 67.A O no hydrogen 3.487 N/A CYS 72.A N VAL 68.A O no hydrogen 2.755 N/A CYS 72.A SG ASN 137.A OD1 no hydrogen 4.028 N/A CYS 72.A SG HIS 139.A ND1 no hydrogen 3.880 N/A ASN 76.A ND2 ALA 157.A O no hydrogen 2.953 N/A LEU 77.A N HIS 74.A O no hydrogen 3.401 N/A VAL 78.A N ILE 159.A O no hydrogen 2.883 N/A LEU 81.A N VAL 93.A O no hydrogen 2.763 N/A GLY 82.A N VAL 93.A O no hydrogen 3.346 N/A PHE 83.A N HIS 3.A O no hydrogen 3.148 N/A SER 84.A N CYS 91.A O no hydrogen 2.872 N/A CYS 91.A N SER 84.A O no hydrogen 2.923 N/A LEU 92.A N LYS 50.A O no hydrogen 2.849 N/A VAL 93.A N GLY 82.A O no hydrogen 3.266 N/A TYR 94.A N ALA 48.A O no hydrogen 2.871 N/A VAL 95.A N GLU 79.A O no hydrogen 3.046 N/A ASN 99.A N LEU 151.A O no hydrogen 3.090 N/A ASN 99.A ND2 ASP 152.A O no hydrogen 2.832 N/A GLY 100.A N MET 97.A O no hydrogen 2.924 N/A LEU 102.A N ILE 149.A O no hydrogen 2.848 N/A LEU 103.A N SER 146.A O no hydrogen 3.223 N/A ASP 104.A N SER 101.A OG no hydrogen 3.424 N/A ARG 105.A N SER 101.A O no hydrogen 3.152 N/A ARG 105.A NE THR 112.A OG1 no hydrogen 2.768 N/A ARG 105.A NH1 ASN 99.A O no hydrogen 3.073 N/A ARG 105.A NH2 LEU 109.A O no hydrogen 2.819 N/A LEU 106.A N LEU 102.A O no hydrogen 2.807 N/A SER 107.A N LEU 103.A O no hydrogen 3.071 N/A SER 107.A OG LEU 103.A O no hydrogen 3.175 N/A SER 107.A OG ASP 104.A O no hydrogen 3.392 N/A CYS 108.A SG ARG 105.A O no hydrogen 3.906 N/A LEU 109.A N ASP 104.A O no hydrogen 2.849 N/A GLY 111.A N CYS 108.A O no hydrogen 2.982 N/A THR 112.A OG1 LEU 109.A O no hydrogen 3.355 N/A TRP 117.A N ASP 245.A OD1 no hydrogen 2.786 N/A TRP 117.A NE1 SER 250.A OG no hydrogen 2.790 N/A HIS 118.A N ASP 245.A OD2 no hydrogen 2.936 N/A MET 119.A N SER 116.A OG no hydrogen 3.082 N/A ARG 120.A N SER 116.A O no hydrogen 2.915 N/A ARG 120.A NE LEU 115.A O no hydrogen 2.869 N/A ARG 120.A NH1 ILE 205.A O no hydrogen 2.921 N/A ARG 120.A NH1 ASP 240.A OD2 no hydrogen 2.670 N/A ARG 120.A NH2 LEU 115.A O no hydrogen 2.778 N/A ARG 120.A NH2 ASP 240.A OD2 no hydrogen 3.069 N/A CYS 121.A N TRP 117.A O no hydrogen 2.921 N/A CYS 121.A SG TRP 117.A O no hydrogen 3.466 N/A LYS 122.A N HIS 118.A O no hydrogen 3.351 N/A LYS 122.A NZ ALA 154.A O no hydrogen 3.304 N/A LYS 122.A NZ THR 156.A OG1 no hydrogen 3.276 N/A ILE 123.A N MET 119.A O no hydrogen 2.999 N/A ALA 124.A N ARG 120.A O no hydrogen 3.087 N/A GLN 125.A N CYS 121.A O no hydrogen 3.083 N/A GLN 125.A NE2 LEU 279.A O no hydrogen 2.680 N/A GLN 125.A NE2 THR 283.A OG1 no hydrogen 2.723 N/A GLY 126.A N LYS 122.A O no hydrogen 2.920 N/A ALA 127.A N ILE 123.A O no hydrogen 2.889 N/A ALA 128.A N ALA 124.A O no hydrogen 3.203 N/A ASN 129.A N GLN 125.A O no hydrogen 3.135 N/A ASN 129.A N GLY 126.A O no hydrogen 3.039 N/A ASN 129.A ND2 GLN 276.A OE1 no hydrogen 2.666 N/A GLY 130.A N GLY 126.A O no hydrogen 3.190 N/A ILE 131.A N ALA 127.A O no hydrogen 3.069 N/A ASN 132.A N ALA 128.A O no hydrogen 2.904 N/A ASN 132.A ND2 GLU 136.A OE2 no hydrogen 3.363 N/A PHE 133.A N ASN 129.A O no hydrogen 3.194 N/A LEU 134.A N GLY 130.A O no hydrogen 3.317 N/A HIS 135.A N ILE 131.A O no hydrogen 2.862 N/A HIS 135.A NE2 ASP 194.A OD2 no hydrogen 2.888 N/A GLU 136.A N ASN 132.A O no hydrogen 2.799 N/A ASN 137.A N PHE 133.A O no hydrogen 3.170 N/A ASN 137.A N LEU 134.A O no hydrogen 3.245 N/A ASN 137.A ND2 PHE 133.A O no hydrogen 2.838 N/A HIS 138.A N HIS 135.A O no hydrogen 3.037 N/A HIS 139.A N LEU 134.A O no hydrogen 2.775 N/A ILE 140.A N ARG 166.A O no hydrogen 2.775 N/A HIS 141.A N ASP 194.A OD2 no hydrogen 2.896 N/A HIS 141.A NE2 SER 160.A O no hydrogen 2.758 N/A ARG 142.A N ASP 194.A OD1 no hydrogen 3.108 N/A ARG 142.A NE LEU 164.A O no hydrogen 2.752 N/A ARG 142.A NH2 LEU 164.A O no hydrogen 3.312 N/A ASP 143.A N HIS 141.A ND1 no hydrogen 3.119 N/A LYS 145.A NZ THR 176.A OG1 no hydrogen 2.779 N/A SER 146.A OG TYR 179.A OH no hydrogen 3.380 N/A SER 146.A OG GLU 204.A OE1 no hydrogen 2.702 N/A ASN 148.A N LYS 145.A O no hydrogen 2.860 N/A ASN 148.A ND2 ASP 143.A O no hydrogen 2.725 N/A ILE 149.A N SER 146.A O no hydrogen 3.395 N/A LEU 150.A N LYS 158.A O no hydrogen 2.779 N/A LEU 151.A N GLY 100.A O no hydrogen 2.749 N/A ASP 152.A N THR 156.A O no hydrogen 3.320 N/A ALA 154.A N ASP 152.A OD1 no hydrogen 2.869 N/A PHE 155.A N ASP 152.A O no hydrogen 2.705 N/A THR 156.A N ASP 152.A OD1 no hydrogen 2.793 N/A LYS 158.A N LEU 150.A O no hydrogen 2.744 N/A LYS 158.A NZ GLU 75.A O no hydrogen 2.707 N/A ILE 159.A N ASN 76.A O no hydrogen 2.894 N/A SER 160.A N ASN 148.A O no hydrogen 2.848 N/A SER 160.A OG ASN 148.A O no hydrogen 3.303 N/A SER 160.A OG ASP 161.A OD2 no hydrogen 3.319 N/A PHE 162.A N GLU 65.A OE1 no hydrogen 3.095 N/A PHE 162.A N GLU 65.A OE2 no hydrogen 3.100 N/A ALA 165.A N PHE 162.A O no hydrogen 3.346 N/A ARG 166.A N ILE 140.A O no hydrogen 2.851 N/A SER 168.A N HIS 138.A O no hydrogen 2.768 N/A VAL 170.A N ILE 189.A O no hydrogen 3.458 N/A THR 176.A OG1 ASP 143.A OD1 no hydrogen 3.049 N/A TYR 179.A N THR 176.A O no hydrogen 2.943 N/A TYR 179.A OH SER 146.A OG no hydrogen 3.380 N/A TYR 179.A OH GLU 204.A OE1 no hydrogen 2.782 N/A TYR 179.A OH GLU 204.A OE2 no hydrogen 2.888 N/A MET 180.A N THR 176.A O no hydrogen 3.091 N/A MET 180.A N THR 177.A O no hydrogen 3.329 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.917 N/A LEU 185.A N ALA 181.A O no hydrogen 3.062 N/A ARG 186.A N GLU 183.A O no hydrogen 3.075 N/A GLY 187.A N ALA 184.A O no hydrogen 3.233 N/A GLU 188.A N GLU 183.A O no hydrogen 3.025 N/A ILE 189.A N VAL 170.A O no hydrogen 3.033 N/A LYS 192.A N THR 190.A OG1 no hydrogen 3.328 N/A LYS 192.A NZ ASN 267.A OD1 no hydrogen 2.763 N/A SER 193.A N THR 190.A O no hydrogen 3.087 N/A SER 193.A OG GLU 183.A OE2 no hydrogen 2.783 N/A ASP 194.A N PRO 191.A O no hydrogen 3.189 N/A TYR 196.A N LYS 192.A O no hydrogen 3.349 N/A TYR 196.A OH GLU 264.A OE2 no hydrogen 3.057 N/A SER 197.A N SER 193.A O no hydrogen 3.196 N/A SER 197.A OG TYR 179.A O no hydrogen 2.722 N/A SER 197.A OG SER 193.A O no hydrogen 3.337 N/A PHE 198.A N ASP 194.A O no hydrogen 3.042 N/A GLY 199.A N ILE 195.A O no hydrogen 3.139 N/A VAL 200.A N TYR 196.A O no hydrogen 3.266 N/A VAL 201.A N SER 197.A O no hydrogen 3.175 N/A LEU 202.A N PHE 198.A O no hydrogen 2.935 N/A LEU 203.A N GLY 199.A O no hydrogen 3.266 N/A GLU 204.A N VAL 200.A O no hydrogen 3.085 N/A GLU 204.A N VAL 201.A O no hydrogen 2.932 N/A ILE 205.A N VAL 201.A O no hydrogen 2.946 N/A ILE 206.A N LEU 202.A O no hydrogen 3.072 N/A THR 207.A N LEU 203.A O no hydrogen 3.053 N/A THR 207.A OG1 LEU 203.A O no hydrogen 2.507 N/A GLY 208.A N GLU 204.A O no hydrogen 2.775 N/A LEU 209.A N THR 207.A OG1 no hydrogen 3.228 N/A ALA 211.A N GLU 204.A OE2 no hydrogen 2.924 N/A ASP 213.A N GLN 219.A O no hydrogen 2.913 N/A ARG 216.A NE PRO 218.A O no hydrogen 2.874 N/A ARG 216.A NH1 PRO 210.A O no hydrogen 2.876 N/A ARG 216.A NH2 PRO 210.A O no hydrogen 2.992 N/A LEU 221.A N ALA 211.A O no hydrogen 2.809 N/A ASP 223.A N LEU 220.A O no hydrogen 3.198 N/A ILE 224.A N LEU 221.A O no hydrogen 3.032 N/A LYS 225.A N LEU 222.A O no hydrogen 3.452 N/A LYS 225.A NZ SER 259.A O no hydrogen 2.876 N/A GLU 226.A N ASP 223.A O no hydrogen 3.203 N/A GLU 227.A N ASP 223.A O no hydrogen 3.247 N/A ILE 228.A N ILE 224.A O no hydrogen 2.952 N/A GLU 229.A N LYS 225.A O no hydrogen 3.051 N/A ASP 230.A N GLU 226.A O no hydrogen 2.812 N/A GLU 232.A N GLU 227.A O no hydrogen 3.135 N/A THR 234.A N ASP 237.A OD1 no hydrogen 2.826 N/A ASP 237.A N THR 234.A O no hydrogen 3.090 N/A TYR 238.A N ILE 235.A O no hydrogen 2.740 N/A TYR 238.A OH GLU 227.A OE1 no hydrogen 2.665 N/A ILE 239.A N ILE 235.A O no hydrogen 3.026 N/A ASP 240.A N ILE 206.A O no hydrogen 2.833 N/A LYS 242.A N ASP 240.A OD1 no hydrogen 3.084 N/A LYS 242.A NZ ASP 240.A OD1 no hydrogen 2.842 N/A SER 248.A OG GLU 236.A OE2 no hydrogen 2.596 N/A SER 250.A N ASP 247.A OD2 no hydrogen 3.090 N/A SER 250.A OG ASP 247.A O no hydrogen 3.113 N/A SER 250.A OG ASP 247.A OD1 no hydrogen 2.856 N/A SER 250.A OG ASP 247.A OD2 no hydrogen 3.166 N/A VAL 251.A N ASP 247.A O no hydrogen 3.078 N/A GLU 252.A N SER 248.A O no hydrogen 2.797 N/A ALA 253.A N THR 249.A O no hydrogen 2.925 N/A MET 254.A N SER 250.A O no hydrogen 2.922 N/A TYR 255.A N VAL 251.A O no hydrogen 2.884 N/A SER 256.A N GLU 252.A O no hydrogen 2.904 N/A VAL 257.A N ALA 253.A O no hydrogen 3.404 N/A ALA 258.A N MET 254.A O no hydrogen 2.995 N/A SER 259.A N TYR 255.A O no hydrogen 2.748 N/A GLN 260.A N SER 256.A O no hydrogen 3.082 N/A GLN 260.A NE2 SER 256.A O no hydrogen 3.002 N/A CYS 261.A N VAL 257.A O no hydrogen 2.956 N/A CYS 261.A SG VAL 257.A O no hydrogen 3.351 N/A LEU 262.A N ALA 258.A O no hydrogen 2.925 N/A LYS 265.A N HIS 263.A ND1 no hydrogen 3.043 N/A LYS 266.A NZ GLU 188.A OE1 no hydrogen 2.536 N/A LYS 268.A N LYS 265.A O no hydrogen 2.808 N/A ARG 269.A N LYS 266.A O no hydrogen 3.423 N/A ARG 269.A NE HIS 263.A O no hydrogen 2.633 N/A ARG 269.A NH1 GLU 183.A OE1 no hydrogen 3.452 N/A ARG 269.A NH1 GLU 183.A OE2 no hydrogen 2.684 N/A ARG 269.A NH1 LYS 192.A O no hydrogen 2.931 N/A ARG 269.A NH2 GLU 183.A OE1 no hydrogen 2.971 N/A ARG 269.A NH2 HIS 263.A O no hydrogen 3.195 N/A LYS 273.A NZ GLU 136.A OE2 no hydrogen 2.900 N/A LYS 274.A N ASP 271.A O no hydrogen 3.221 N/A VAL 275.A N ASP 271.A O no hydrogen 3.124 N/A GLN 276.A N ILE 272.A O no hydrogen 2.904 N/A GLN 277.A N LYS 273.A O no hydrogen 3.040 N/A LEU 278.A N LYS 274.A O no hydrogen 2.833 N/A LEU 279.A N VAL 275.A O no hydrogen 2.947 N/A GLN 280.A N GLN 276.A O no hydrogen 3.001 N/A GLU 281.A N GLN 277.A O no hydrogen 3.167 N/A MET 282.A N LEU 278.A O no hydrogen 3.220 N/A THR 283.A N GLN 280.A O no hydrogen 3.335 N/A ALA 284.A N GLN 280.A O no hydrogen 3.421 N/A