Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kkt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N GLU 1.A OE2 no hydrogen 3.259 N/A GLU 7.A N HIS 3.A O no hydrogen 3.271 N/A LEU 8.A N LEU 4.A O no hydrogen 3.014 N/A GLU 9.A N LYS 6.A O no hydrogen 3.313 N/A ASP 10.A N GLU 7.A O no hydrogen 3.269 N/A LEU 11.A N LEU 8.A O no hydrogen 3.386 N/A ASN 12.A ND2 GLU 40.A OE2 no hydrogen 2.793 N/A LYS 13.A N ASP 10.A O no hydrogen 2.829 N/A TRP 14.A NE1 THR 235.A O no hydrogen 3.253 N/A ASN 20.A N ASN 17.A O no hydrogen 3.063 N/A ASN 20.A N ASN 17.A OD1 no hydrogen 3.070 N/A ASN 20.A ND2 GLU 7.A OE1 no hydrogen 3.349 N/A VAL 21.A N ASN 17.A O no hydrogen 3.483 N/A ALA 22.A N ILE 18.A O no hydrogen 2.927 N/A TYR 24.A N ASN 20.A O no hydrogen 3.366 N/A SER 25.A N ALA 22.A O no hydrogen 3.303 N/A SER 25.A OG VAL 21.A O no hydrogen 2.809 N/A SER 25.A OG ALA 22.A O no hydrogen 2.807 N/A ARG 28.A NH1 ASP 63.A OD2 no hydrogen 3.094 N/A LEU 30.A N GLU 62.A OE2 no hydrogen 3.074 N/A THR 31.A N GLU 62.A OE1 no hydrogen 2.854 N/A THR 31.A OG1 GLU 62.A OE1 no hydrogen 2.836 N/A CYS 32.A N ARG 28.A O no hydrogen 3.399 N/A ILE 33.A N PRO 29.A O no hydrogen 2.877 N/A MET 34.A N LEU 30.A O no hydrogen 2.823 N/A TYR 35.A N THR 31.A O no hydrogen 2.847 N/A TYR 35.A OH SER 51.A OG no hydrogen 2.905 N/A ALA 36.A N CYS 32.A O no hydrogen 3.056 N/A ILE 37.A N ILE 33.A O no hydrogen 2.812 N/A PHE 38.A N MET 34.A O no hydrogen 2.997 N/A GLN 39.A N TYR 35.A O no hydrogen 3.282 N/A GLU 40.A N ALA 36.A O no hydrogen 3.075 N/A ARG 41.A N ILE 37.A O no hydrogen 3.173 N/A ARG 41.A NE HIS 85.A ND1 no hydrogen 2.691 N/A ARG 41.A NH2 HIS 85.A ND1 no hydrogen 3.324 N/A ARG 41.A NH2 HIS 85.A O no hydrogen 2.777 N/A ASP 42.A N GLN 39.A O no hydrogen 3.116 N/A LEU 43.A N PHE 38.A O no hydrogen 2.835 N/A THR 46.A N ASP 42.A O no hydrogen 3.025 N/A THR 46.A OG1 ASP 42.A O no hydrogen 2.712 N/A PHE 47.A N LEU 43.A O no hydrogen 2.970 N/A ILE 49.A N LEU 44.A O no hydrogen 2.710 N/A SER 50.A OG THR 53.A OG1 no hydrogen 3.035 N/A THR 53.A OG1 SER 50.A OG no hydrogen 3.035 N/A PHE 54.A N SER 50.A O no hydrogen 3.239 N/A ILE 55.A N SER 51.A O no hydrogen 2.983 N/A THR 56.A N ASP 52.A O no hydrogen 3.053 N/A THR 56.A OG1 ASP 52.A O no hydrogen 2.740 N/A TYR 57.A N THR 53.A O no hydrogen 2.907 N/A TYR 57.A OH GLY 149.A O no hydrogen 2.604 N/A MET 58.A N PHE 54.A O no hydrogen 2.881 N/A MET 59.A N ILE 55.A O no hydrogen 2.742 N/A THR 60.A N THR 56.A O no hydrogen 2.981 N/A THR 60.A OG1 THR 56.A O no hydrogen 2.709 N/A LEU 61.A N TYR 57.A O no hydrogen 2.713 N/A GLU 62.A N MET 58.A O no hydrogen 2.779 N/A ASP 63.A N MET 59.A O no hydrogen 3.113 N/A HIS 64.A N THR 60.A O no hydrogen 3.279 N/A HIS 64.A N LEU 61.A O no hydrogen 2.824 N/A HIS 64.A ND1 THR 60.A O no hydrogen 2.881 N/A TYR 65.A N GLU 62.A O no hydrogen 3.180 N/A TYR 65.A OH ALA 110.A O no hydrogen 2.694 N/A HIS 66.A NE2 ASP 115.A OD1 no hydrogen 2.898 N/A TYR 71.A N GLU 251.A OE1 no hydrogen 2.931 N/A TYR 71.A OH ASN 233.A OD1 no hydrogen 2.595 N/A HIS 72.A N GLU 251.A OE1 no hydrogen 2.808 N/A HIS 72.A ND1 GLU 251.A OE2 no hydrogen 2.625 N/A ASN 73.A N TYR 71.A O no hydrogen 2.776 N/A ASN 73.A ND2 VAL 69.A O no hydrogen 2.994 N/A SER 74.A OG GLU 62.A OE2 no hydrogen 2.709 N/A LEU 75.A N ASN 73.A OD1 no hydrogen 3.153 N/A ALA 78.A N SER 74.A O no hydrogen 2.778 N/A ASP 79.A N LEU 75.A O no hydrogen 2.776 N/A VAL 80.A N HIS 76.A O no hydrogen 2.966 N/A ALA 81.A N ALA 77.A O no hydrogen 3.036 N/A GLN 82.A N ALA 78.A O no hydrogen 3.054 N/A GLN 82.A NE2 LEU 11.A O no hydrogen 2.573 N/A GLN 82.A NE2 LYS 13.A O no hydrogen 2.769 N/A SER 83.A N ASP 79.A O no hydrogen 3.034 N/A SER 83.A OG ASP 79.A O no hydrogen 2.830 N/A SER 83.A OG ASP 79.A OD1 no hydrogen 3.241 N/A THR 84.A N VAL 80.A O no hydrogen 2.996 N/A THR 84.A OG1 VAL 80.A O no hydrogen 2.725 N/A HIS 85.A N ALA 81.A O no hydrogen 3.007 N/A HIS 85.A NE2 ASN 12.A OD1 no hydrogen 3.090 N/A VAL 86.A N GLN 82.A O no hydrogen 3.099 N/A LEU 87.A N SER 83.A O no hydrogen 3.006 N/A LEU 88.A N THR 84.A O no hydrogen 2.922 N/A SER 89.A N VAL 86.A O no hydrogen 2.885 N/A SER 89.A OG HIS 85.A O no hydrogen 3.323 N/A THR 90.A N LEU 87.A O no hydrogen 3.307 N/A THR 90.A OG1 LEU 87.A O no hydrogen 2.516 N/A ALA 92.A N ASP 303.A OD2 no hydrogen 2.876 N/A LEU 93.A N THR 90.A O no hydrogen 2.971 N/A ASP 94.A N PRO 91.A O no hydrogen 3.023 N/A VAL 96.A N LEU 93.A O no hydrogen 3.081 N/A THR 98.A N GLU 101.A OE1 no hydrogen 3.182 N/A ILE 102.A N THR 98.A O no hydrogen 3.023 N/A LEU 103.A N ASP 99.A O no hydrogen 2.963 N/A ALA 104.A N LEU 100.A O no hydrogen 2.974 N/A ALA 105.A N GLU 101.A O no hydrogen 3.120 N/A ILE 106.A N ILE 102.A O no hydrogen 3.328 N/A PHE 107.A N LEU 103.A O no hydrogen 3.122 N/A ALA 108.A N ALA 104.A O no hydrogen 2.863 N/A ALA 109.A N ALA 105.A O no hydrogen 3.073 N/A ALA 110.A N ILE 106.A O no hydrogen 3.065 N/A ILE 111.A N PHE 107.A O no hydrogen 3.144 N/A ILE 111.A N ALA 108.A O no hydrogen 3.276 N/A HIS 112.A ND1 ALA 109.A O no hydrogen 2.699 N/A HIS 112.A NE2 ASP 230.A OD2 no hydrogen 3.207 N/A ASP 113.A N TYR 65.A OH no hydrogen 3.336 N/A VAL 114.A N ILE 111.A O no hydrogen 3.135 N/A GLY 118.A N HIS 116.A ND1 no hydrogen 2.897 N/A SER 120.A N GLN 255.A OE1 no hydrogen 2.968 N/A ASN 121.A ND2 GLU 142.A OE1 no hydrogen 3.143 N/A GLN 122.A NE2 ASN 126.A OD1 no hydrogen 3.386 N/A PHE 123.A N SER 120.A OG no hydrogen 3.277 N/A LEU 124.A N SER 120.A O no hydrogen 3.253 N/A ILE 125.A N ASN 121.A O no hydrogen 2.857 N/A ASN 126.A N GLN 122.A O no hydrogen 2.808 N/A THR 127.A N PHE 123.A O no hydrogen 3.203 N/A THR 127.A OG1 PHE 123.A O no hydrogen 2.676 N/A THR 127.A OG1 LEU 124.A O no hydrogen 3.117 N/A ASN 128.A N ILE 125.A O no hydrogen 3.349 N/A SER 129.A N LEU 124.A O no hydrogen 3.301 N/A SER 129.A OG LEU 124.A O no hydrogen 3.264 N/A LEU 133.A N SER 129.A O no hydrogen 3.035 N/A MET 134.A N GLU 130.A O no hydrogen 2.775 N/A TYR 135.A N LEU 131.A O no hydrogen 2.929 N/A ASP 137.A N ALA 132.A O no hydrogen 3.056 N/A GLU 138.A N TYR 135.A O no hydrogen 3.000 N/A SER 139.A OG ASP 184.A OD2 no hydrogen 2.590 N/A LEU 141.A N ASN 121.A OD1 no hydrogen 2.993 N/A ASN 143.A N SER 139.A O no hydrogen 2.888 N/A ASN 143.A ND2 GLU 138.A O no hydrogen 2.735 N/A ASN 143.A ND2 SER 139.A O no hydrogen 3.114 N/A HIS 144.A N VAL 140.A O no hydrogen 3.230 N/A HIS 144.A NE2 ASP 115.A OD2 no hydrogen 2.525 N/A HIS 145.A N LEU 141.A O no hydrogen 2.773 N/A HIS 145.A ND1 VAL 114.A O no hydrogen 2.749 N/A LEU 146.A N GLU 142.A O no hydrogen 3.368 N/A ALA 147.A N ASN 143.A O no hydrogen 2.917 N/A VAL 148.A N HIS 144.A O no hydrogen 2.873 N/A GLY 149.A N HIS 145.A O no hydrogen 2.799 N/A PHE 150.A N LEU 146.A O no hydrogen 3.020 N/A LYS 151.A N ALA 147.A O no hydrogen 2.895 N/A LEU 152.A N VAL 148.A O no hydrogen 3.129 N/A LEU 153.A N PHE 150.A O no hydrogen 3.263 N/A GLN 154.A N LYS 151.A O no hydrogen 2.942 N/A CYS 158.A SG THR 60.A OG1 no hydrogen 3.697 N/A CYS 158.A SG GLU 156.A O no hydrogen 3.400 N/A PHE 161.A N ASP 159.A OD1 no hydrogen 2.932 N/A MET 162.A N ASP 159.A O no hydrogen 3.414 N/A ASN 163.A ND2 ARG 48.A O no hydrogen 2.686 N/A LEU 164.A N PHE 161.A O no hydrogen 3.154 N/A THR 165.A N GLN 168.A OE1 no hydrogen 3.090 N/A THR 165.A OG1 GLN 168.A OE1 no hydrogen 3.207 N/A ARG 169.A N THR 165.A O no hydrogen 2.896 N/A GLN 170.A N LYS 166.A O no hydrogen 3.299 N/A THR 171.A N LYS 167.A O no hydrogen 2.959 N/A THR 171.A OG1 LYS 167.A O no hydrogen 3.176 N/A LEU 172.A N GLN 168.A O no hydrogen 2.822 N/A ARG 173.A N ARG 169.A O no hydrogen 2.855 N/A LYS 174.A N GLN 170.A O no hydrogen 3.144 N/A MET 175.A N THR 171.A O no hydrogen 3.060 N/A VAL 176.A N LEU 172.A O no hydrogen 2.921 N/A ILE 177.A N ARG 173.A O no hydrogen 2.967 N/A ASP 178.A N LYS 174.A O no hydrogen 3.121 N/A MET 179.A N MET 175.A O no hydrogen 2.846 N/A VAL 180.A N VAL 176.A O no hydrogen 3.020 N/A LEU 181.A N ILE 177.A O no hydrogen 3.026 N/A ALA 182.A N ASP 178.A O no hydrogen 3.167 N/A THR 183.A N VAL 180.A O no hydrogen 2.971 N/A THR 183.A OG1 VAL 180.A O no hydrogen 2.760 N/A ASP 184.A N LEU 181.A O no hydrogen 3.156 N/A SER 186.A N ASP 184.A OD1 no hydrogen 2.836 N/A SER 186.A OG ASP 184.A OD1 no hydrogen 2.730 N/A SER 186.A OG ASP 184.A OD2 no hydrogen 3.235 N/A LYS 187.A N ASP 184.A O no hydrogen 2.983 N/A HIS 188.A N MET 185.A O no hydrogen 3.217 N/A HIS 188.A ND1 HIS 227.A NE2 no hydrogen 3.003 N/A LEU 191.A N LYS 187.A O no hydrogen 3.088 N/A LEU 192.A N HIS 188.A O no hydrogen 2.901 N/A ALA 193.A N MET 189.A O no hydrogen 3.034 N/A LEU 195.A N LEU 191.A O no hydrogen 3.111 N/A LYS 196.A N LEU 192.A O no hydrogen 2.948 N/A THR 197.A N ALA 193.A O no hydrogen 3.228 N/A THR 197.A OG1 ALA 193.A O no hydrogen 2.744 N/A MET 198.A N ASP 194.A O no hydrogen 2.983 N/A MET 198.A N LEU 195.A O no hydrogen 3.037 N/A VAL 199.A N LEU 195.A O no hydrogen 2.969 N/A GLU 200.A N LYS 196.A O no hydrogen 2.923 N/A LYS 202.A N VAL 199.A O no hydrogen 2.932 N/A THR 205.A N VAL 209.A O no hydrogen 2.854 N/A THR 205.A OG1 SER 207.A OG no hydrogen 3.142 N/A THR 205.A OG1 VAL 209.A O no hydrogen 3.214 N/A SER 207.A OG THR 205.A OG1 no hydrogen 3.142 N/A GLY 208.A N THR 205.A O no hydrogen 2.938 N/A LEU 210.A N ALA 92.A O no hydrogen 2.989 N/A LEU 211.A N LYS 203.A O no hydrogen 2.782 N/A ASP 217.A N ASN 214.A O no hydrogen 3.113 N/A ARG 218.A N ASN 214.A O no hydrogen 3.292 N/A ILE 219.A N TYR 215.A O no hydrogen 2.774 N/A GLN 220.A N THR 216.A O no hydrogen 3.334 N/A GLN 220.A NE2 ASP 194.A O no hydrogen 2.970 N/A VAL 221.A N ASP 217.A O no hydrogen 3.262 N/A LEU 222.A N ARG 218.A O no hydrogen 3.352 N/A ARG 223.A N ILE 219.A O no hydrogen 3.005 N/A ARG 223.A NH1 ASP 178.A OD1 no hydrogen 2.594 N/A ASN 224.A N GLN 220.A O no hydrogen 3.308 N/A ASN 224.A ND2 GLN 220.A O no hydrogen 2.632 N/A MET 225.A N VAL 221.A O no hydrogen 2.738 N/A VAL 226.A N LEU 222.A O no hydrogen 3.052 N/A HIS 227.A N ARG 223.A O no hydrogen 3.050 N/A HIS 227.A NE2 HIS 188.A ND1 no hydrogen 3.003 N/A CYS 228.A N ASN 224.A O no hydrogen 2.763 N/A CYS 228.A SG ASN 224.A O no hydrogen 3.171 N/A ALA 229.A N MET 225.A O no hydrogen 2.830 N/A ASP 230.A N VAL 226.A O no hydrogen 2.922 N/A LEU 231.A N HIS 227.A O no hydrogen 3.165 N/A SER 232.A OG ALA 229.A O no hydrogen 2.636 N/A THR 235.A N SER 232.A O no hydrogen 2.747 N/A THR 235.A OG1 SER 232.A O no hydrogen 2.721 N/A LYS 236.A N ASN 233.A O no hydrogen 3.168 N/A LYS 236.A NZ SER 83.A OG no hydrogen 3.010 N/A LEU 240.A N SER 237.A O no hydrogen 2.689 N/A TYR 241.A N SER 237.A O no hydrogen 3.222 N/A TYR 241.A OH GLN 281.A OE1 no hydrogen 2.563 N/A ARG 242.A N LEU 238.A O no hydrogen 3.380 N/A GLN 243.A NE2 GLU 239.A O no hydrogen 3.210 N/A TRP 244.A N LEU 240.A O no hydrogen 3.070 N/A THR 245.A N TYR 241.A O no hydrogen 2.951 N/A THR 245.A OG1 TYR 241.A O no hydrogen 3.071 N/A THR 245.A OG1 TYR 318.A OH no hydrogen 3.389 N/A ASP 246.A N ARG 242.A O no hydrogen 2.998 N/A ARG 247.A N GLN 243.A O no hydrogen 2.979 N/A ILE 248.A N TRP 244.A O no hydrogen 2.894 N/A MET 249.A N THR 245.A O no hydrogen 3.072 N/A GLU 250.A N ASP 246.A O no hydrogen 3.172 N/A GLU 251.A N ARG 247.A O no hydrogen 3.203 N/A PHE 252.A N ILE 248.A O no hydrogen 2.932 N/A PHE 253.A N MET 249.A O no hydrogen 2.963 N/A GLN 254.A N GLU 250.A O no hydrogen 3.033 N/A GLN 255.A N GLU 251.A O no hydrogen 2.934 N/A GLN 255.A NE2 GLU 259.A OE2 no hydrogen 2.901 N/A GLY 256.A N PHE 252.A O no hydrogen 3.146 N/A ASP 257.A N PHE 253.A O no hydrogen 3.004 N/A LYS 258.A N GLN 254.A O no hydrogen 3.230 N/A GLU 259.A N GLN 255.A O no hydrogen 3.046 N/A ARG 260.A N GLY 256.A O no hydrogen 3.348 N/A ARG 260.A NH1 ASP 257.A OD1 no hydrogen 3.125 N/A GLU 261.A N ASP 257.A O no hydrogen 3.006 N/A ARG 262.A N LYS 258.A O no hydrogen 2.950 N/A GLY 263.A N ARG 260.A O no hydrogen 2.806 N/A MET 264.A N GLU 259.A O no hydrogen 2.938 N/A SER 267.A OG ILE 266.A O no hydrogen 2.857 N/A SER 267.A OG SER 267.A O no hydrogen 2.621 N/A CYS 270.A N GLN 338.A O no hydrogen 3.071 N/A CYS 270.A SG THR 274.A OG1 no hydrogen 3.196 N/A LYS 272.A NZ ASP 257.A OD2 no hydrogen 3.439 N/A THR 274.A N ASP 271.A O no hydrogen 3.150 N/A SER 276.A OG ASP 331.A OD1 no hydrogen 3.165 N/A GLU 278.A N GLU 278.A OE1 no hydrogen 2.828 N/A SER 280.A N SER 276.A O no hydrogen 3.328 N/A SER 280.A OG SER 276.A O no hydrogen 3.062 N/A GLN 281.A N VAL 277.A O no hydrogen 3.223 N/A VAL 282.A N GLU 278.A O no hydrogen 3.175 N/A GLY 283.A N LYS 279.A O no hydrogen 2.858 N/A PHE 284.A N SER 280.A O no hydrogen 2.757 N/A ILE 285.A N GLN 281.A O no hydrogen 3.058 N/A ASP 286.A N VAL 282.A O no hydrogen 2.838 N/A TYR 287.A N GLY 283.A O no hydrogen 2.924 N/A ILE 288.A N PHE 284.A O no hydrogen 3.167 N/A VAL 289.A N PHE 284.A O no hydrogen 2.985 N/A HIS 290.A N ILE 285.A O no hydrogen 2.752 N/A LEU 292.A N ILE 288.A O no hydrogen 3.473 N/A TRP 293.A N VAL 289.A O no hydrogen 3.076 N/A TRP 293.A NE1 LEU 231.A O no hydrogen 3.298 N/A GLU 294.A N HIS 290.A O no hydrogen 2.801 N/A THR 295.A N PRO 291.A O no hydrogen 3.223 N/A THR 295.A OG1 PRO 291.A O no hydrogen 2.943 N/A TRP 296.A N LEU 292.A O no hydrogen 3.014 N/A ALA 297.A N TRP 293.A O no hydrogen 2.770 N/A ASP 298.A N GLU 294.A O no hydrogen 3.076 N/A LEU 299.A N THR 295.A O no hydrogen 3.123 N/A VAL 300.A N TRP 296.A O no hydrogen 3.010 N/A GLN 301.A N ASP 298.A O no hydrogen 3.442 N/A ASP 303.A N VAL 300.A O no hydrogen 2.704 N/A GLN 305.A N PRO 302.A O no hydrogen 3.381 N/A GLN 305.A NE2 ASP 309.A OD1 no hydrogen 3.517 N/A LEU 308.A N ALA 304.A O no hydrogen 3.006 N/A ASP 309.A N GLN 305.A O no hydrogen 2.901 N/A THR 310.A N ASP 306.A O no hydrogen 3.165 N/A THR 310.A OG1 ASP 306.A O no hydrogen 2.711 N/A LEU 311.A N ILE 307.A O no hydrogen 3.154 N/A GLU 312.A N LEU 308.A O no hydrogen 3.146 N/A ASP 313.A N ASP 309.A O no hydrogen 3.021 N/A ASN 314.A N THR 310.A O no hydrogen 3.063 N/A ASN 314.A ND2 PRO 234.A O no hydrogen 3.037 N/A ASN 314.A ND2 LYS 236.A O no hydrogen 2.955 N/A ARG 315.A N LEU 311.A O no hydrogen 2.925 N/A ARG 315.A NE ASP 286.A OD1 no hydrogen 3.023 N/A ASN 316.A N GLU 312.A O no hydrogen 3.095 N/A TRP 317.A N ASP 313.A O no hydrogen 2.918 N/A TYR 318.A N ASN 314.A O no hydrogen 3.186 N/A GLN 319.A N ARG 315.A O no hydrogen 2.941 N/A SER 320.A N ASN 316.A O no hydrogen 2.989 N/A SER 320.A OG ASN 316.A O no hydrogen 3.512 N/A SER 320.A OG TRP 317.A O no hydrogen 2.566 N/A MET 321.A N TRP 317.A O no hydrogen 3.168 N/A MET 321.A N TYR 318.A O no hydrogen 3.277 N/A ILE 322.A N GLN 319.A O no hydrogen 3.223 N/A GLU 332.A N PRO 329.A O no hydrogen 2.819 N/A GLN 333.A N LEU 330.A O no hydrogen 2.936 N/A GLN 333.A NE2 PRO 328.A O no hydrogen 2.736 N/A ASP 336.A N ASN 334.A OD1 no hydrogen 3.053 N/A CYS 337.A N ASN 334.A OD1 no hydrogen 3.247 N/A CYS 337.A SG ASP 331.A O no hydrogen 3.998 N/A GLN 338.A N PRO 268.A O no hydrogen 2.905 N/A LYS 343.A N GLY 339.A O no hydrogen 2.979 N/A LYS 343.A NZ GLU 259.A OE1 no hydrogen 2.878 N/A LYS 343.A NZ GLU 259.A OE2 no hydrogen 2.828 N/A LYS 343.A NZ SER 267.A O no hydrogen 3.234 N/A PHE 344.A N LEU 340.A O no hydrogen 3.082 N/A GLN 345.A N MET 341.A O no hydrogen 2.848 N/A