Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6e21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 3.A OE1 no hydrogen 2.545 N/A PHE 4.A N VAL 1.A O no hydrogen 2.943 N/A LEU 5.A N VAL 1.A O no hydrogen 3.314 N/A ALA 8.A N PHE 4.A O no hydrogen 3.124 N/A LYS 9.A N LEU 5.A O no hydrogen 2.756 N/A LYS 9.A NZ ASP 146.A OD2 LYS 9.A HZ3 3.515 2.616 GLU 10.A N ALA 6.A O no hydrogen 3.270 N/A GLU 10.A N LYS 7.A O no hydrogen 2.789 N/A ASP 11.A N LYS 7.A O no hydrogen 3.185 N/A PHE 12.A N ALA 8.A O no hydrogen 3.123 N/A LEU 13.A N LYS 9.A O no hydrogen 3.140 N/A LYS 14.A N GLU 10.A O no hydrogen 3.399 N/A LYS 15.A N ASP 11.A O no hydrogen 3.306 N/A TRP 16.A N PHE 12.A O TRP 16.A H 2.788 1.957 GLU 17.A N LEU 13.A O no hydrogen 2.960 N/A THR 18.A N LYS 14.A O no hydrogen 2.972 N/A SER 20.A N GLN 82.A OE1 no hydrogen 3.411 N/A SER 20.A OG GLN 82.A OE1 no hydrogen 3.522 N/A GLN 21.A NE2 PHE 333.A O no hydrogen 3.315 N/A THR 23.A N SER 95.A O no hydrogen 2.893 N/A GLN 25.A N GLN 28.A OE1 no hydrogen 2.707 N/A GLN 25.A NE2 ASP 27.A OD1 no hydrogen 2.681 N/A GLN 25.A NE2 ASP 27.A OD2 no hydrogen 2.884 N/A GLN 28.A N GLN 25.A O no hydrogen 3.041 N/A PHE 29.A N LEU 26.A O PHE 29.A H 3.411 2.448 ASP 30.A N LYS 47.A O no hydrogen 2.854 N/A ILE 32.A N LEU 45.A O no hydrogen 2.845 N/A LYS 33.A N LEU 45.A O no hydrogen 3.483 N/A LYS 33.A NZ ASP 313.A OD1 no hydrogen 2.709 N/A THR 34.A N GLU 316.A OE2 no hydrogen 2.922 N/A THR 34.A OG1 GLU 316.A OE1 no hydrogen 3.085 N/A THR 34.A OG1 GLU 316.A OE2 no hydrogen 3.426 N/A LEU 35.A N VAL 43.A O no hydrogen 2.655 N/A GLY 36.A N VAL 43.A O no hydrogen 3.322 N/A GLY 38.A N GLY 41.A O no hydrogen 3.074 N/A ARG 42.A N ILE 59.A O no hydrogen 3.157 N/A ARG 42.A NH1 GLU 315.A O no hydrogen 3.057 N/A VAL 43.A N GLY 36.A O no hydrogen 2.670 N/A MET 44.A N MET 57.A O no hydrogen 2.905 N/A LEU 45.A N LYS 33.A O LEU 45.A H 2.749 1.817 VAL 46.A N TYR 55.A O no hydrogen 3.038 N/A LYS 47.A N ASP 30.A O LYS 47.A H 2.933 2.102 HIS 48.A N ASN 53.A O no hydrogen 2.837 N/A HIS 48.A ND1 SER 51.A OG no hydrogen 2.928 N/A LYS 49.A N GLN 28.A O no hydrogen 3.061 N/A LYS 49.A NZ ASP 27.A O no hydrogen 3.100 N/A SER 51.A OG HIS 48.A ND1 no hydrogen 2.928 N/A GLY 52.A N HIS 48.A O no hydrogen 2.689 N/A ASN 53.A N SER 51.A OG no hydrogen 3.306 N/A TYR 55.A N VAL 46.A O TYR 55.A H 3.015 2.055 ALA 56.A N MET 106.A O ALA 56.A H 2.923 1.945 MET 57.A N MET 44.A O MET 57.A H 2.797 1.833 LYS 58.A N MET 104.A O no hydrogen 2.766 N/A LYS 58.A NZ GLU 77.A OE2 no hydrogen 2.607 N/A ILE 59.A N ARG 42.A O no hydrogen 2.863 N/A LEU 60.A N LEU 102.A O LEU 60.A H 2.915 1.960 ASP 61.A N PHE 40.A O no hydrogen 2.934 N/A LYS 62.A N SER 100.A O LYS 62.A H 3.072 2.184 LYS 62.A NZ ASP 98.A O no hydrogen 2.805 N/A LYS 62.A NZ ASN 99.A O no hydrogen 3.068 N/A LYS 62.A NZ LYS 325.A O no hydrogen 2.770 N/A LYS 64.A N ASP 61.A OD1 no hydrogen 3.012 N/A VAL 65.A N ASP 61.A O no hydrogen 2.942 N/A VAL 66.A N LYS 62.A O no hydrogen 3.057 N/A LYS 67.A N GLN 63.A O no hydrogen 3.077 N/A LEU 68.A N LYS 64.A O no hydrogen 3.173 N/A LYS 69.A N VAL 66.A O no hydrogen 3.126 N/A GLN 70.A N VAL 65.A O no hydrogen 2.885 N/A GLN 70.A NE2 LEU 68.A O no hydrogen 3.171 N/A HIS 73.A ND1 GLN 70.A OE1 no hydrogen 2.832 N/A THR 74.A N GLN 70.A O no hydrogen 2.874 N/A THR 74.A OG1 GLN 70.A O no hydrogen 2.781 N/A LEU 75.A N ILE 71.A O LEU 75.A H 2.993 2.040 ASN 76.A N GLU 72.A O ASN 76.A H 2.923 2.020 GLU 77.A N HIS 73.A O GLU 77.A H 2.985 2.024 LYS 78.A N THR 74.A O LYS 78.A H 3.273 2.314 LYS 78.A NZ SER 20.A O no hydrogen 2.603 N/A LYS 78.A NZ PHE 333.A OXT no hydrogen 2.961 N/A ARG 79.A N LEU 75.A O no hydrogen 2.956 N/A ARG 79.A NE TRP 16.A O no hydrogen 3.138 N/A ARG 79.A NH2 TRP 16.A O no hydrogen 3.027 N/A ILE 80.A N ASN 76.A O ILE 80.A H 2.935 1.992 LEU 81.A N GLU 77.A O no hydrogen 3.051 N/A GLN 82.A N LYS 78.A O GLN 82.A H 3.112 2.183 GLN 82.A NE2 LYS 15.A O no hydrogen 2.785 N/A GLN 82.A NE2 ARG 79.A O no hydrogen 2.968 N/A ALA 83.A N ILE 80.A O no hydrogen 2.981 N/A VAL 84.A N ILE 80.A O no hydrogen 3.076 N/A ASN 85.A N TYR 141.A OH no hydrogen 3.101 N/A LEU 89.A N PHE 86.A O no hydrogen 3.124 N/A VAL 90.A N VAL 167.A O VAL 90.A H 3.097 2.116 LYS 91.A N GLU 107.A OE1 no hydrogen 3.053 N/A GLU 93.A N VAL 105.A O no hydrogen 2.582 N/A PHE 94.A N VAL 105.A O no hydrogen 2.900 N/A SER 95.A N THR 23.A OG1 no hydrogen 3.197 N/A PHE 96.A N TYR 103.A O PHE 96.A H 3.197 2.238 LYS 97.A NZ PHE 330.A O no hydrogen 2.771 N/A LYS 97.A NZ PHE 333.A O no hydrogen 2.778 N/A ASP 98.A N ASN 101.A O no hydrogen 3.077 N/A SER 100.A N ASP 98.A OD1 no hydrogen 2.899 N/A SER 100.A OG ARG 320.A O no hydrogen 3.539 N/A ASN 101.A N ASP 98.A OD1 no hydrogen 2.836 N/A ASN 101.A ND2 TYR 103.A OH no hydrogen 3.102 N/A LEU 102.A N LEU 60.A O LEU 102.A H 2.865 1.946 TYR 103.A N PHE 96.A O no hydrogen 2.833 N/A TYR 103.A OH ASP 98.A OD2 no hydrogen 2.622 N/A MET 104.A N LYS 58.A O MET 104.A H 3.011 2.104 VAL 105.A N PHE 94.A O no hydrogen 2.688 N/A MET 106.A N ALA 56.A O no hydrogen 2.914 N/A GLU 107.A N LYS 91.A O no hydrogen 2.947 N/A TYR 108.A OH ASP 307.A O no hydrogen 2.676 N/A MET 114.A N LEU 157.A O no hydrogen 2.812 N/A PHE 115.A N PRO 154.A O PHE 115.A H 3.302 2.481 SER 116.A N GLU 113.A O no hydrogen 3.077 N/A SER 116.A OG GLU 113.A O no hydrogen 2.663 N/A HIS 117.A NE2 GLY 111.A O no hydrogen 2.939 N/A LEU 118.A N MET 114.A O LEU 118.A H 2.848 1.929 ARG 119.A N PHE 115.A O no hydrogen 2.938 N/A ARG 119.A NH1 GLU 214.A OE2 no hydrogen 3.077 N/A ARG 119.A NH2 GLU 214.A OE2 no hydrogen 2.791 N/A ARG 120.A N SER 116.A O no hydrogen 3.099 N/A ARG 120.A NH2 HIS 117.A ND1 no hydrogen 3.058 N/A ILE 121.A N HIS 117.A O no hydrogen 2.891 N/A GLY 122.A N LEU 118.A O no hydrogen 2.933 N/A PHE 124.A N MET 215.A O no hydrogen 2.866 N/A HIS 127.A NE2 TYR 131.A OH no hydrogen 3.014 N/A ARG 129.A N GLU 125.A O no hydrogen 2.682 N/A ARG 129.A NE TRP 280.A O no hydrogen 2.607 N/A PHE 130.A N PRO 126.A O no hydrogen 3.102 N/A TYR 131.A N HIS 127.A O no hydrogen 3.418 N/A TYR 131.A OH HIS 127.A NE2 no hydrogen 3.014 N/A ALA 132.A N ALA 128.A O no hydrogen 2.871 N/A ALA 133.A N ARG 129.A O no hydrogen 2.847 N/A GLN 134.A N TYR 131.A O no hydrogen 2.994 N/A GLN 134.A NE2 PHE 130.A O no hydrogen 3.234 N/A ILE 135.A N TYR 131.A O no hydrogen 3.272 N/A VAL 136.A N ALA 132.A O no hydrogen 2.936 N/A LEU 137.A N ALA 133.A O no hydrogen 3.197 N/A THR 138.A N GLN 134.A O no hydrogen 3.060 N/A THR 138.A OG1 GLN 134.A O no hydrogen 3.010 N/A PHE 139.A N ILE 135.A O no hydrogen 2.848 N/A GLU 140.A N VAL 136.A O no hydrogen 3.160 N/A TYR 141.A N LEU 137.A O no hydrogen 3.020 N/A LEU 142.A N THR 138.A O no hydrogen 2.825 N/A HIS 143.A N PHE 139.A O no hydrogen 2.782 N/A HIS 143.A NE2 ASP 204.A OD2 no hydrogen 2.861 N/A SER 144.A N GLU 140.A O no hydrogen 3.187 N/A SER 144.A OG GLU 140.A O no hydrogen 3.355 N/A SER 144.A OG TYR 141.A O no hydrogen 2.548 N/A LEU 145.A N LEU 142.A O no hydrogen 3.134 N/A ASP 146.A N HIS 143.A O no hydrogen 3.023 N/A LEU 147.A N LEU 142.A O no hydrogen 3.030 N/A ILE 148.A N LYS 174.A O no hydrogen 2.907 N/A TYR 149.A N ASP 204.A OD2 TYR 149.A H 2.893 1.948 TYR 149.A OH THR 168.A O no hydrogen 2.585 N/A TYR 149.A OH ASP 169.A O no hydrogen 3.227 N/A ARG 150.A N ASP 204.A OD1 no hydrogen 2.927 N/A ARG 150.A NE PHE 172.A O no hydrogen 2.876 N/A ARG 150.A NH1 TYR 199.A OH no hydrogen 2.989 N/A ARG 150.A NH2 PHE 172.A O no hydrogen 2.859 N/A LYS 153.A NZ THR 185.A OG1 no hydrogen 2.788 N/A GLU 155.A N GLU 155.A OE1 GLU 155.A H 2.665 1.860 ASN 156.A N LYS 153.A O ASN 156.A H 2.936 2.032 ASN 156.A ND2 ASP 151.A O no hydrogen 2.798 N/A ASN 156.A ND2 ASP 151.A OD2 no hydrogen 2.944 N/A LEU 157.A N PRO 154.A O no hydrogen 3.281 N/A LEU 158.A N GLN 166.A O no hydrogen 3.129 N/A ILE 159.A N GLY 112.A O no hydrogen 3.022 N/A ASP 160.A N TYR 164.A O no hydrogen 2.828 N/A GLN 162.A N ASP 160.A OD1 no hydrogen 2.722 N/A GLY 163.A N ASP 160.A O no hydrogen 2.760 N/A TYR 164.A N ASP 160.A OD1 no hydrogen 3.193 N/A TYR 164.A OH VAL 294.A O no hydrogen 2.528 N/A ILE 165.A N GLN 134.A OE1 no hydrogen 2.957 N/A GLN 166.A N LEU 158.A O no hydrogen 2.865 N/A GLN 166.A NE2 PRO 87.A O GLN 166.A HE22 2.719 1.867 VAL 167.A N PHE 88.A O no hydrogen 2.729 N/A THR 168.A N ASN 156.A O no hydrogen 3.029 N/A GLY 171.A N ASP 169.A OD1 no hydrogen 2.944 N/A ALA 173.A N PHE 170.A O ALA 173.A H 3.014 2.085 LYS 174.A N ILE 148.A O LYS 174.A H 3.125 2.227 LYS 174.A NZ THR 180.A OG1 no hydrogen 2.963 N/A ARG 175.A NE LEU 145.A O no hydrogen 3.136 N/A ARG 175.A NH2 ASP 146.A OD2 no hydrogen 3.292 N/A VAL 176.A N ASP 146.A O no hydrogen 2.809 N/A THR 180.A N TYR 199.A O no hydrogen 2.887 N/A THR 185.A OG1 ASP 151.A OD1 no hydrogen 2.902 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.649 N/A TYR 188.A N THR 185.A O TYR 188.A H 2.929 2.098 TYR 188.A OH GLU 214.A OE1 no hydrogen 2.676 N/A LEU 189.A N PRO 186.A O no hydrogen 3.285 N/A GLU 192.A N GLU 192.A OE2 no hydrogen 2.751 N/A ILE 193.A N ALA 190.A O ILE 193.A H 3.104 2.192 ILE 194.A N ALA 190.A O ILE 194.A H 3.563 2.600 LEU 195.A N PRO 191.A O no hydrogen 2.874 N/A SER 196.A N ILE 193.A O no hydrogen 3.208 N/A LYS 197.A N GLU 192.A O no hydrogen 3.328 N/A TYR 199.A N THR 180.A O no hydrogen 2.875 N/A LYS 201.A NZ VAL 176.A O no hydrogen 2.982 N/A ALA 202.A N ASN 200.A OD1 no hydrogen 2.704 N/A VAL 203.A N ASN 200.A O no hydrogen 3.311 N/A ASP 204.A N LYS 201.A O no hydrogen 3.065 N/A TRP 206.A N ALA 202.A O no hydrogen 3.191 N/A ALA 207.A N VAL 203.A O no hydrogen 2.943 N/A LEU 208.A N ASP 204.A O no hydrogen 2.939 N/A GLY 209.A N TRP 205.A O no hydrogen 3.113 N/A VAL 210.A N TRP 206.A O no hydrogen 3.133 N/A LEU 211.A N ALA 207.A O no hydrogen 2.946 N/A ILE 212.A N LEU 208.A O no hydrogen 2.915 N/A TYR 213.A N GLY 209.A O no hydrogen 2.994 N/A TYR 213.A OH ARG 240.A O no hydrogen 2.574 N/A GLU 214.A N VAL 210.A O no hydrogen 2.838 N/A MET 215.A N LEU 211.A O no hydrogen 2.867 N/A ALA 216.A N ILE 212.A O no hydrogen 3.088 N/A ALA 217.A N TYR 213.A O no hydrogen 2.836 N/A GLY 218.A N GLU 214.A O GLY 218.A H 2.691 1.855 GLN 229.A N GLN 226.A O no hydrogen 2.743 N/A ILE 230.A N GLN 226.A O no hydrogen 3.130 N/A TYR 231.A N PRO 227.A O no hydrogen 2.717 N/A GLU 232.A N ILE 228.A O no hydrogen 3.106 N/A LYS 233.A N GLN 229.A O no hydrogen 3.253 N/A LYS 233.A NZ PHE 223.A O no hydrogen 2.961 N/A ILE 234.A N ILE 230.A O no hydrogen 3.074 N/A VAL 235.A N TYR 231.A O no hydrogen 3.256 N/A SER 236.A N LYS 233.A O no hydrogen 3.146 N/A SER 236.A OG LYS 233.A O no hydrogen 2.680 N/A GLY 237.A N LYS 233.A O no hydrogen 3.350 N/A GLY 237.A N ILE 234.A O no hydrogen 2.766 N/A LYS 238.A N SER 236.A OG no hydrogen 3.228 N/A PHE 245.A N PRO 242.A O no hydrogen 3.160 N/A SER 246.A N GLU 125.A OE2 no hydrogen 2.895 N/A SER 246.A OG GLU 125.A OE1 no hydrogen 2.726 N/A LEU 249.A N SER 246.A OG no hydrogen 3.069 N/A LYS 250.A N SER 246.A O no hydrogen 3.036 N/A ASP 251.A N SER 247.A O no hydrogen 2.966 N/A LEU 252.A N ASP 248.A O no hydrogen 3.094 N/A LEU 253.A N LEU 249.A O no hydrogen 2.975 N/A ARG 254.A N LYS 250.A O no hydrogen 3.030 N/A ASN 255.A N ASP 251.A O no hydrogen 3.312 N/A ASN 255.A N LEU 252.A O no hydrogen 3.186 N/A LEU 256.A N LEU 252.A O no hydrogen 3.026 N/A LEU 256.A N LEU 253.A O no hydrogen 3.274 N/A LEU 257.A N LEU 253.A O no hydrogen 2.797 N/A ASP 260.A N GLN 258.A OE1 no hydrogen 3.104 N/A THR 262.A N ASP 260.A OD2 no hydrogen 2.946 N/A THR 262.A OG1 ASP 260.A OD2 no hydrogen 3.011 N/A LYS 263.A N ASP 260.A O no hydrogen 2.643 N/A ARG 264.A N LEU 261.A O ARG 264.A H 3.311 2.411 ARG 264.A NE GLN 258.A O no hydrogen 2.753 N/A ARG 264.A NH1 GLU 192.A OE1 no hydrogen 2.698 N/A ARG 264.A NH2 GLU 192.A OE2 no hydrogen 3.084 N/A ARG 264.A NH2 GLN 258.A O no hydrogen 2.788 N/A PHE 265.A N ASN 255.A O no hydrogen 2.836 N/A ASN 267.A N ARG 264.A O no hydrogen 2.970 N/A ASN 267.A ND2 LEU 261.A O no hydrogen 3.244 N/A GLY 271.A N LEU 268.A O no hydrogen 2.658 N/A ASN 273.A N ASN 270.A O no hydrogen 3.071 N/A ASP 274.A N GLY 271.A O no hydrogen 3.146 N/A ILE 275.A N VAL 272.A O no hydrogen 2.723 N/A LYS 276.A N VAL 272.A O no hydrogen 2.919 N/A ASN 277.A N ASN 273.A O no hydrogen 2.821 N/A HIS 278.A N ILE 275.A O no hydrogen 3.095 N/A HIS 278.A NE2 ASP 251.A OD1 no hydrogen 2.808 N/A TRP 280.A N HIS 278.A ND1 no hydrogen 2.955 N/A TRP 280.A NE1 GLU 125.A OE1 no hydrogen 2.743 N/A PHE 281.A N HIS 278.A O no hydrogen 3.094 N/A ALA 282.A N LYS 279.A O no hydrogen 2.918 N/A THR 284.A N PHE 281.A O no hydrogen 2.995 N/A ALA 288.A N ASP 285.A O no hydrogen 3.087 N/A ALA 288.A N ASP 285.A OD1 no hydrogen 3.330 N/A ILE 289.A N ASP 285.A O no hydrogen 3.177 N/A TYR 290.A N TRP 286.A O no hydrogen 3.005 N/A GLN 291.A N ILE 287.A O no hydrogen 3.050 N/A ARG 292.A N ILE 289.A O no hydrogen 2.782 N/A ARG 292.A NH2 ASP 160.A OD2 no hydrogen 2.616 N/A LYS 293.A N ALA 288.A O no hydrogen 2.868 N/A LYS 303.A N ASP 307.A OD2 no hydrogen 3.205 N/A SER 309.A N ASP 307.A OD1 no hydrogen 2.992 N/A SER 309.A OG ASP 307.A OD1 no hydrogen 3.266 N/A SER 309.A OG ASP 307.A OD2 no hydrogen 3.267 N/A ASN 310.A ND2 ALA 110.A O no hydrogen 3.667 N/A ASN 310.A ND2 LYS 301.A O no hydrogen 3.046 N/A PHE 311.A N THR 308.A O no hydrogen 2.952 N/A LYS 325.A N ASN 99.A O no hydrogen 2.847 N/A GLU 329.A N GLU 329.A OE1 GLU 329.A H 2.728 1.853 THR 331.A N LYS 328.A O no hydrogen 3.465 N/A THR 331.A OG1 GLY 327.A O no hydrogen 3.206 N/A THR 331.A OG1 LYS 328.A O no hydrogen 2.754 N/A PHE 333.A N PHE 330.A O no hydrogen 3.185 N/A