Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tpf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N VAL 109.A O no hydrogen 3.054 N/A ARG 7.A N THR 5.A OG1 no hydrogen 3.002 N/A ARG 7.A NH1 TYR 117.A OH no hydrogen 3.066 N/A ARG 7.A NH1 GLU 176.A OE1 no hydrogen 3.003 N/A ARG 7.A NH1 GLU 176.A OE2 no hydrogen 3.216 N/A ARG 7.A NH2 GLU 176.A OE2 no hydrogen 2.815 N/A ASP 8.A N THR 5.A O no hydrogen 3.185 N/A PHE 9.A N LEU 6.A O no hydrogen 2.945 N/A SER 10.A N GLU 13.A OE1 no hydrogen 3.025 N/A SER 10.A OG GLU 13.A OE1 no hydrogen 3.239 N/A GLU 13.A N SER 10.A OG no hydrogen 2.912 N/A ILE 14.A N SER 10.A O no hydrogen 2.840 N/A LEU 15.A N LYS 11.A O no hydrogen 2.973 N/A SER 16.A N GLU 12.A O no hydrogen 2.997 N/A SER 16.A OG GLU 13.A O no hydrogen 3.229 N/A LEU 17.A N GLU 13.A O no hydrogen 3.125 N/A VAL 18.A N ILE 14.A O no hydrogen 3.195 N/A ASN 19.A N LEU 15.A O no hydrogen 2.887 N/A HIS 20.A N SER 16.A O no hydrogen 2.938 N/A HIS 20.A ND1 GLU 23.A OE2 no hydrogen 3.255 N/A ALA 21.A N LEU 17.A O no hydrogen 2.912 N/A SER 22.A N VAL 18.A O no hydrogen 3.081 N/A GLU 23.A N ASN 19.A O no hydrogen 3.029 N/A LEU 24.A N HIS 20.A O no hydrogen 2.857 N/A LYS 25.A N ALA 21.A O no hydrogen 2.822 N/A LYS 25.A NZ GLU 131.A OE1 no hydrogen 2.865 N/A LYS 25.A NZ GLU 131.A OE2 no hydrogen 3.523 N/A LYS 25.A NZ ASN 274.A OD1 no hydrogen 3.094 N/A LYS 26.A N SER 22.A O no hydrogen 3.056 N/A GLU 27.A N GLU 23.A O no hydrogen 2.733 N/A LYS 29.A NZ GLU 27.A OE2 no hydrogen 3.415 N/A LEU 32.A N LEU 57.A O no hydrogen 2.761 N/A ASP 34.A N GLY 58.A O no hydrogen 2.884 N/A LYS 35.A N LEU 32.A O no hydrogen 3.017 N/A LYS 35.A NZ ASP 287.A OD1 no hydrogen 2.853 N/A THR 36.A N ASP 88.A OD2 no hydrogen 2.840 N/A THR 36.A OG1 ASP 88.A OD2 no hydrogen 3.303 N/A LEU 37.A N LYS 60.A O no hydrogen 2.891 N/A ALA 38.A N PHE 89.A O no hydrogen 2.987 N/A PHE 40.A N LEU 64.A O no hydrogen 3.221 N/A GLU 41.A N ARG 91.A O no hydrogen 2.949 N/A SER 44.A OG THR 47.A OG1 no hydrogen 3.021 N/A THR 47.A N SER 44.A OG no hydrogen 3.248 N/A THR 47.A OG1 SER 44.A OG no hydrogen 3.021 N/A ARG 48.A N SER 44.A O no hydrogen 3.151 N/A ARG 48.A NE GLU 51.A OE1 no hydrogen 2.736 N/A ARG 48.A NH2 GLU 51.A OE1 no hydrogen 2.757 N/A PHE 50.A N THR 47.A O no hydrogen 2.962 N/A GLU 51.A N ARG 48.A O no hydrogen 2.770 N/A ALA 53.A N ALA 49.A O no hydrogen 2.854 N/A ILE 54.A N PHE 50.A O no hydrogen 3.098 N/A THR 55.A N GLU 51.A O no hydrogen 3.068 N/A THR 55.A OG1 GLU 51.A O no hydrogen 2.673 N/A GLU 56.A N LEU 52.A O no hydrogen 2.851 N/A LEU 57.A N ALA 53.A O no hydrogen 3.064 N/A GLY 58.A N THR 55.A O no hydrogen 2.919 N/A GLY 59.A N ILE 54.A O no hydrogen 2.868 N/A LYS 60.A N LYS 35.A O no hydrogen 2.890 N/A LEU 62.A N LEU 37.A O no hydrogen 2.808 N/A SER 65.A N ASP 68.A OD2 no hydrogen 2.906 N/A SER 66.A OG ASN 43.A OD1 no hydrogen 3.228 N/A LEU 69.A N SER 65.A O no hydrogen 2.638 N/A ASP 79.A N PRO 76.A O no hydrogen 3.232 N/A THR 80.A N PRO 76.A O no hydrogen 3.366 N/A THR 80.A OG1 GLU 75.A OE2 no hydrogen 2.734 N/A THR 80.A OG1 PRO 76.A O no hydrogen 3.486 N/A ALA 81.A N VAL 77.A O no hydrogen 2.774 N/A ARG 82.A N LYS 78.A O no hydrogen 2.959 N/A ARG 82.A NE LYS 78.A O no hydrogen 3.164 N/A ARG 82.A NH2 ASP 79.A OD1 no hydrogen 3.038 N/A VAL 83.A N ASP 79.A O no hydrogen 3.176 N/A VAL 83.A N THR 80.A O no hydrogen 3.008 N/A ILE 84.A N THR 80.A O no hydrogen 2.817 N/A GLY 85.A N ALA 81.A O no hydrogen 2.882 N/A ALA 86.A N VAL 83.A O no hydrogen 3.063 N/A ASP 88.A N THR 36.A O no hydrogen 3.088 N/A ASP 88.A N THR 36.A OG1 no hydrogen 3.133 N/A PHE 89.A N THR 36.A O no hydrogen 3.050 N/A VAL 90.A N PRO 108.A O no hydrogen 3.043 N/A ARG 91.A N ILE 39.A O no hydrogen 2.911 N/A ARG 91.A NH1 LYS 42.A O no hydrogen 2.718 N/A VAL 92.A N LEU 113.A O no hydrogen 2.903 N/A ASN 93.A N GLU 41.A OE1 no hydrogen 2.725 N/A HIS 95.A N GLU 115.A OE1 no hydrogen 3.426 N/A HIS 95.A N GLU 115.A OE2 no hydrogen 2.684 N/A HIS 95.A ND1 SER 114.A OG no hydrogen 2.898 N/A THR 97.A N LYS 94.A O no hydrogen 2.944 N/A THR 97.A OG1 LYS 94.A O no hydrogen 3.349 N/A LEU 99.A N HIS 95.A O no hydrogen 3.062 N/A GLU 100.A N GLU 96.A O no hydrogen 2.754 N/A PHE 101.A N THR 97.A O no hydrogen 3.056 N/A ALA 102.A N LEU 98.A O no hydrogen 2.877 N/A ARG 103.A N LEU 99.A O no hydrogen 2.908 N/A TYR 104.A N PHE 101.A O no hydrogen 2.958 N/A SER 105.A N ALA 102.A O no hydrogen 3.239 N/A SER 105.A OG ALA 107.A O no hydrogen 2.541 N/A ALA 107.A N SER 105.A OG no hydrogen 2.904 N/A VAL 109.A N HIS 2.A ND1 no hydrogen 2.837 N/A ILE 110.A N VAL 90.A O no hydrogen 2.778 N/A ASN 111.A N PHE 3.A O no hydrogen 2.849 N/A ASN 111.A ND2 LEU 4.A O no hydrogen 3.030 N/A ASN 111.A ND2 TYR 117.A O no hydrogen 3.170 N/A LEU 113.A N ASN 111.A OD1 no hydrogen 2.613 N/A SER 114.A N TYR 117.A O no hydrogen 3.027 N/A SER 114.A OG HIS 95.A ND1 no hydrogen 2.898 N/A SER 114.A OG TYR 117.A O no hydrogen 3.392 N/A GLU 115.A N GLU 115.A OE2 no hydrogen 2.667 N/A TYR 117.A N SER 114.A OG no hydrogen 3.159 N/A HIS 118.A N SER 152.A OG no hydrogen 2.924 N/A GLN 121.A N HIS 118.A O no hydrogen 3.170 N/A GLN 121.A NE2 ASP 125.A OD1 no hydrogen 3.133 N/A VAL 122.A N HIS 118.A O no hydrogen 3.416 N/A LEU 123.A N PRO 119.A O no hydrogen 2.983 N/A GLY 124.A N THR 120.A O no hydrogen 3.094 N/A ASP 125.A N GLN 121.A O no hydrogen 2.853 N/A LEU 126.A N VAL 122.A O no hydrogen 2.941 N/A PHE 127.A N LEU 123.A O no hydrogen 2.965 N/A THR 128.A N GLY 124.A O no hydrogen 3.038 N/A THR 128.A OG1 GLY 124.A O no hydrogen 2.871 N/A ILE 129.A N ASP 125.A O no hydrogen 2.903 N/A LYS 130.A N LEU 126.A O no hydrogen 3.009 N/A GLU 131.A N PHE 127.A O no hydrogen 2.974 N/A TRP 132.A N THR 128.A O no hydrogen 2.936 N/A ASN 133.A N LYS 130.A O no hydrogen 3.191 N/A LYS 134.A N ILE 129.A O no hydrogen 3.062 N/A LYS 134.A NZ ASP 241.A O no hydrogen 3.089 N/A LYS 140.A NZ ASP 203.A OD2 no hydrogen 3.538 N/A VAL 141.A N GLU 163.A O no hydrogen 2.815 N/A ALA 142.A N VAL 206.A O no hydrogen 2.814 N/A PHE 143.A N SER 165.A O no hydrogen 2.826 N/A ILE 144.A N ILE 208.A O no hydrogen 2.821 N/A GLY 145.A N ALA 167.A O no hydrogen 3.033 N/A SER 147.A N ASP 146.A OD1 no hydrogen 2.826 N/A SER 147.A OG LYS 172.A O no hydrogen 2.992 N/A ASN 148.A ND2 ASP 210.A OD2 no hydrogen 3.076 N/A ASN 149.A ND2 SER 114.A O no hydrogen 3.091 N/A ASN 151.A N ASN 148.A O no hydrogen 3.121 N/A ASN 151.A ND2 LEU 116.A O no hydrogen 2.932 N/A SER 152.A N ASN 149.A O no hydrogen 2.947 N/A SER 152.A OG ASN 149.A O no hydrogen 3.328 N/A TRP 153.A NE1 ASP 125.A OD2 no hydrogen 3.253 N/A LEU 154.A N CYS 150.A O no hydrogen 2.779 N/A ILE 155.A N ASN 151.A O no hydrogen 2.977 N/A THR 156.A N SER 152.A O no hydrogen 2.975 N/A THR 156.A OG1 SER 152.A O no hydrogen 2.674 N/A ALA 157.A N TRP 153.A O no hydrogen 2.929 N/A ALA 158.A N LEU 154.A O no hydrogen 3.035 N/A ILE 159.A N ILE 155.A O no hydrogen 2.970 N/A LEU 160.A N THR 156.A O no hydrogen 2.869 N/A GLY 161.A N ALA 157.A O no hydrogen 2.906 N/A PHE 162.A N ALA 157.A O no hydrogen 3.020 N/A GLU 163.A N ALA 139.A O no hydrogen 2.954 N/A ILE 164.A N LYS 190.A O no hydrogen 2.771 N/A SER 165.A N VAL 141.A O no hydrogen 2.948 N/A SER 165.A OG SER 192.A OG no hydrogen 2.798 N/A ILE 166.A N SER 192.A O no hydrogen 2.850 N/A ALA 167.A N PHE 143.A O no hydrogen 2.942 N/A TYR 171.A N PRO 168.A O no hydrogen 3.231 N/A TYR 171.A OH GLU 226.A OE1 no hydrogen 2.615 N/A TRP 178.A N SER 174.A O no hydrogen 2.996 N/A GLU 179.A N PRO 175.A O no hydrogen 2.894 N/A PHE 180.A N GLU 176.A O no hydrogen 3.248 N/A ALA 181.A N ILE 177.A O no hydrogen 3.092 N/A GLN 183.A N PHE 180.A O no hydrogen 2.945 N/A ALA 184.A N ALA 181.A O no hydrogen 2.911 N/A SER 187.A N GLN 183.A O no hydrogen 3.054 N/A SER 187.A OG ALA 158.A O no hydrogen 2.767 N/A SER 187.A OG GLN 183.A O no hydrogen 3.361 N/A SER 187.A OG ALA 184.A O no hydrogen 3.477 N/A GLY 188.A N ALA 184.A O no hydrogen 2.633 N/A ALA 189.A N ALA 184.A O no hydrogen 3.288 N/A ALA 189.A N SER 187.A OG no hydrogen 3.142 N/A LYS 190.A N PHE 162.A O no hydrogen 3.200 N/A SER 192.A N ILE 164.A O no hydrogen 2.948 N/A SER 192.A OG ILE 164.A O no hydrogen 3.442 N/A SER 192.A OG SER 165.A OG no hydrogen 2.798 N/A GLY 194.A N ILE 166.A O no hydrogen 2.864 N/A LYS 197.A NZ GLY 229.A O no hydrogen 2.683 N/A PHE 198.A N ASP 196.A OD1 no hydrogen 3.037 N/A ALA 200.A N ASP 196.A O no hydrogen 3.163 N/A LEU 201.A N LYS 197.A O no hydrogen 3.068 N/A LYS 202.A N PHE 198.A O no hydrogen 3.260 N/A LYS 202.A N GLU 199.A O no hydrogen 3.318 N/A LYS 204.A NZ SER 165.A OG no hydrogen 3.090 N/A LYS 204.A NZ ALA 200.A O no hydrogen 2.825 N/A LYS 204.A NZ LYS 202.A O no hydrogen 3.099 N/A ASP 205.A N LYS 140.A O no hydrogen 3.033 N/A VAL 206.A N LYS 140.A O no hydrogen 3.279 N/A VAL 207.A N ILE 243.A O no hydrogen 2.834 N/A ILE 208.A N ALA 142.A O no hydrogen 2.845 N/A THR 209.A N LEU 245.A O no hydrogen 2.999 N/A THR 209.A OG1 ILE 144.A O no hydrogen 2.918 N/A THR 211.A N ASP 210.A OD1 no hydrogen 2.716 N/A THR 211.A OG1 VAL 213.A O no hydrogen 3.297 N/A GLU 216.A N SER 214.A O no hydrogen 3.050 N/A GLU 219.A N GLU 216.A O no hydrogen 3.061 N/A ILE 224.A N LYS 220.A O no hydrogen 3.191 N/A GLU 226.A N ARG 222.A O no hydrogen 3.311 N/A GLU 226.A N LYS 223.A O no hydrogen 2.857 N/A PHE 227.A N LYS 223.A O no hydrogen 3.164 N/A PHE 227.A N ILE 224.A O no hydrogen 3.101 N/A PHE 230.A N PHE 227.A O no hydrogen 3.244 N/A ALA 235.A N ASP 232.A OD2 no hydrogen 3.255 N/A VAL 237.A N ALA 235.A O no hydrogen 3.032 N/A ASN 239.A N LYS 204.A O no hydrogen 3.047 N/A ASN 239.A ND2 ASP 203.A OD1 no hydrogen 3.198 N/A ASN 239.A ND2 ASP 205.A OD1 no hydrogen 2.954 N/A ALA 242.A N ASN 239.A O no hydrogen 3.367 N/A ILE 243.A N ASP 205.A O no hydrogen 3.166 N/A LEU 245.A N VAL 207.A O no hydrogen 2.728 N/A HIS 246.A N GLU 271.A OE1 no hydrogen 2.956 N/A HIS 246.A NE2 GLU 255.A OE2 no hydrogen 2.887 N/A CYS 247.A SG ASP 210.A OD1 no hydrogen 3.202 N/A CYS 247.A SG LEU 248.A O no hydrogen 3.802 N/A LEU 248.A N HIS 246.A ND1 no hydrogen 2.963 N/A TYR 251.A N GLU 255.A OE2 no hydrogen 2.718 N/A ARG 252.A NH1 GLU 262.A OE2 no hydrogen 2.967 N/A GLY 253.A N VAL 256.A O no hydrogen 2.811 N/A TYR 254.A N TYR 251.A O no hydrogen 3.031 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.959 N/A SER 257.A N ILE 231.A O no hydrogen 3.090 N/A ILE 260.A N SER 257.A OG no hydrogen 3.157 N/A PHE 261.A N SER 257.A O no hydrogen 2.945 N/A GLU 262.A N GLU 258.A O no hydrogen 2.943 N/A LYS 263.A N GLU 259.A O no hydrogen 2.850 N/A HIS 264.A N ILE 260.A O no hydrogen 3.103 N/A HIS 264.A ND1 ILE 260.A O no hydrogen 3.244 N/A HIS 264.A NE2 ALA 242.A O no hydrogen 3.267 N/A ALA 265.A N GLU 262.A O no hydrogen 3.005 N/A ILE 268.A N HIS 264.A O no hydrogen 2.988 N/A PHE 269.A N ALA 265.A O no hydrogen 2.857 N/A GLU 270.A N ASP 266.A O no hydrogen 3.046 N/A GLU 271.A N VAL 267.A O no hydrogen 2.939 N/A ALA 272.A N ILE 268.A O no hydrogen 3.072 N/A ARG 273.A N PHE 269.A O no hydrogen 3.186 N/A ARG 273.A NH1 GLU 270.A OE1 no hydrogen 3.013 N/A ASN 274.A N GLU 270.A O no hydrogen 2.672 N/A ASN 274.A N GLU 271.A O no hydrogen 3.010 N/A ASN 274.A ND2 THR 128.A OG1 no hydrogen 2.894 N/A ASN 274.A ND2 GLU 131.A OE2 no hydrogen 3.199 N/A ARG 275.A NH1 THR 47.A OG1 no hydrogen 2.502 N/A LEU 276.A N ARG 273.A O no hydrogen 3.162 N/A TYR 277.A N ASN 274.A O no hydrogen 3.149 N/A VAL 279.A N ARG 275.A O no hydrogen 3.034 N/A LYS 280.A N LEU 276.A O no hydrogen 2.998 N/A LYS 280.A NZ GLU 56.A OE1 no hydrogen 2.900 N/A ALA 281.A N TYR 277.A O no hydrogen 3.116 N/A LEU 282.A N VAL 278.A O no hydrogen 2.970 N/A LEU 283.A N VAL 279.A O no hydrogen 2.845 N/A CYS 284.A N LYS 280.A O no hydrogen 2.935 N/A CYS 284.A SG LYS 280.A O no hydrogen 3.493 N/A PHE 285.A N ALA 281.A O no hydrogen 2.821 N/A LEU 286.A N LEU 282.A O no hydrogen 2.891 N/A ASP 287.A N LEU 283.A O no hydrogen 3.039 N/A ASN 288.A N CYS 284.A O no hydrogen 3.290 N/A ASN 288.A N PHE 285.A O no hydrogen 3.167 N/A ASN 288.A ND2 CYS 284.A O no hydrogen 2.671 N/A GLN 289.A N LEU 286.A O no hydrogen 3.399 N/A ARG 290.A NE ASP 287.A OD1 no hydrogen 3.455 N/A ARG 290.A NH1 ASP 88.A O no hydrogen 3.124 N/A ARG 290.A NH2 ASP 88.A O no hydrogen 3.267 N/A ARG 290.A NH2 ASP 287.A OD1 no hydrogen 3.140 N/A