Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f41_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N ASN 40.A OD1 no hydrogen 3.257 N/A THR 8.A OG1 VAL 6.A O no hydrogen 3.547 N/A SER 9.A N GLU 80.A OE1 no hydrogen 3.020 N/A SER 9.A OG GLU 80.A OE1 no hydrogen 3.204 N/A SER 9.A OG GLU 80.A OE2 no hydrogen 2.852 N/A VAL 11.A N ALA 7.A O no hydrogen 3.316 N/A GLU 12.A N THR 8.A O no hydrogen 2.900 N/A LYS 13.A N SER 9.A O no hydrogen 2.906 N/A ILE 14.A N ILE 10.A O no hydrogen 2.905 N/A GLU 15.A N VAL 11.A O no hydrogen 2.897 N/A ARG 16.A N GLU 12.A O no hydrogen 3.060 N/A ALA 17.A N ILE 14.A O no hydrogen 2.959 N/A THR 27.A N LYS 25.A O no hydrogen 2.566 N/A LEU 30.A N PRO 26.A O no hydrogen 2.995 N/A ARG 31.A N THR 27.A O no hydrogen 2.898 N/A ILE 32.A N VAL 28.A O no hydrogen 2.912 N/A ALA 33.A N LEU 29.A O no hydrogen 2.897 N/A ASP 34.A N LEU 30.A O no hydrogen 2.900 N/A PHE 35.A N ARG 31.A O no hydrogen 2.910 N/A ILE 36.A N ILE 32.A O no hydrogen 2.904 N/A ALA 37.A N ALA 33.A O no hydrogen 2.905 N/A ALA 38.A N ASP 34.A O no hydrogen 2.897 N/A MET 39.A N PHE 35.A O no hydrogen 2.921 N/A ASN 40.A N ALA 37.A O no hydrogen 3.204 N/A ASN 40.A ND2 GLY 5.A O no hydrogen 3.236 N/A ASN 40.A ND2 ILE 36.A O no hydrogen 2.796 N/A ASN 40.A ND2 ALA 37.A O no hydrogen 3.626 N/A GLY 41.A N LYS 3.A O no hydrogen 2.884 N/A MET 42.A N MET 39.A O no hydrogen 3.129 N/A MET 48.A N ALA 44.A O no hydrogen 2.949 N/A GLN 49.A N LYS 45.A O no hydrogen 2.913 N/A GLN 49.A NE2 GLN 49.A O no hydrogen 3.673 N/A ALA 50.A N GLN 46.A O no hydrogen 2.905 N/A LEU 51.A N ASP 47.A O no hydrogen 2.896 N/A TRP 52.A N MET 48.A O no hydrogen 2.930 N/A ASP 53.A N GLN 49.A O no hydrogen 2.898 N/A ALA 54.A N ALA 50.A O no hydrogen 2.901 N/A GLU 55.A N LEU 51.A O no hydrogen 2.923 N/A ILE 56.A N TRP 52.A O no hydrogen 2.888 N/A ALA 57.A N ASP 53.A O no hydrogen 2.898 N/A ILE 58.A N ALA 54.A O no hydrogen 2.928 N/A MET 59.A N GLU 55.A O no hydrogen 3.487 N/A ILE 67.A N ALA 63.A O no hydrogen 2.884 N/A ILE 68.A N GLN 64.A O no hydrogen 2.903 N/A SER 69.A N THR 65.A O no hydrogen 2.919 N/A SER 69.A OG THR 65.A O no hydrogen 2.997 N/A TYR 70.A N THR 66.A O no hydrogen 2.902 N/A ILE 71.A N ILE 67.A O no hydrogen 2.897 N/A THR 72.A N ILE 68.A O no hydrogen 2.914 N/A THR 72.A OG1 ILE 68.A O no hydrogen 3.183 N/A LYS 73.A N SER 69.A O no hydrogen 2.929 N/A TYR 74.A N TYR 70.A O no hydrogen 2.900 N/A TYR 74.A OH GLU 55.A OE2 no hydrogen 3.205 N/A ARG 75.A N ILE 71.A O no hydrogen 2.898 N/A ARG 75.A NH1 LEU 89.A O no hydrogen 2.540 N/A ARG 75.A NH1 ALA 92.A O no hydrogen 3.162 N/A ARG 75.A NH2 LEU 89.A O no hydrogen 3.447 N/A ASN 76.A N THR 72.A O no hydrogen 2.919 N/A ALA 77.A N LYS 73.A O no hydrogen 2.912 N/A ILE 78.A N TYR 74.A O no hydrogen 2.898 N/A ARG 79.A N ARG 75.A O no hydrogen 2.910 N/A GLU 80.A N ASN 76.A O no hydrogen 2.908 N/A ALA 81.A N ALA 77.A O no hydrogen 2.903 N/A PHE 82.A N ILE 78.A O no hydrogen 2.886 N/A GLY 83.A N ILE 78.A O no hydrogen 3.373 N/A MET 88.A N HIS 86.A ND1 no hydrogen 3.081 N/A LEU 89.A N HIS 86.A O no hydrogen 3.122 N/A LYS 90.A N PRO 87.A O no hydrogen 2.908 N/A ILE 91.A N MET 88.A O no hydrogen 2.844 N/A ALA 92.A N MET 88.A O no hydrogen 2.573 N/A THR 93.A N ILE 91.A O no hydrogen 2.845 N/A GLY 94.A N TYR 99.A OH no hydrogen 3.405 N/A MET 98.A N ASP 95.A O no hydrogen 3.060 N/A ASP 100.A N ALA 96.A O no hydrogen 2.905 N/A GLU 101.A N ALA 97.A O no hydrogen 2.905 N/A ALA 102.A N MET 98.A O no hydrogen 2.913 N/A ARG 103.A N TYR 99.A O no hydrogen 2.904 N/A ARG 104.A N ASP 100.A O no hydrogen 2.905 N/A VAL 105.A N GLU 101.A O no hydrogen 2.903 N/A LYS 106.A N ALA 102.A O no hydrogen 2.913 N/A MET 107.A N ARG 103.A O no hydrogen 2.911 N/A GLU 108.A N ARG 104.A O no hydrogen 2.907 N/A LYS 109.A N VAL 105.A O no hydrogen 2.900 N/A ILE 110.A N LYS 106.A O no hydrogen 2.921 N/A ALA 111.A N MET 107.A O no hydrogen 2.906 N/A ASN 112.A N GLU 108.A O no hydrogen 2.914 N/A LYS 113.A N LYS 109.A O no hydrogen 2.904 N/A LYS 113.A NZ SER 302.A O no hydrogen 3.191 N/A HIS 114.A N ILE 110.A O no hydrogen 2.911 N/A HIS 114.A NE2 LEU 301.A O no hydrogen 2.509 N/A GLY 115.A N ALA 111.A O no hydrogen 2.908 N/A ALA 116.A N LYS 113.A O no hydrogen 3.235 N/A ILE 118.A N THR 305.A O no hydrogen 3.041 N/A PHE 120.A N THR 307.A O no hydrogen 3.070 N/A GLU 121.A N THR 119.A O no hydrogen 2.974 N/A ASN 122.A ND2 VAL 251.A O no hydrogen 3.157 N/A TYR 123.A OH GLU 310.A OE2 no hydrogen 2.407 N/A VAL 126.A N ASN 122.A O no hydrogen 3.249 N/A LEU 127.A N TYR 123.A O no hydrogen 2.898 N/A LYS 128.A N ARG 124.A O no hydrogen 2.904 N/A LYS 128.A NZ ASP 132.A OD1 no hydrogen 2.744 N/A LYS 128.A NZ ASP 132.A OD2 no hydrogen 2.765 N/A ILE 129.A N GLN 125.A O no hydrogen 2.899 N/A CYS 130.A N VAL 126.A O no hydrogen 2.902 N/A CYS 130.A SG VAL 126.A O no hydrogen 3.212 N/A GLU 131.A N LEU 127.A O no hydrogen 2.900 N/A ASP 132.A N LYS 128.A O no hydrogen 2.900 N/A CYS 133.A N.A ILE 129.A O no hydrogen 2.907 N/A CYS 133.A N.B ILE 129.A O no hydrogen 2.908 N/A CYS 133.A SG.A ILE 129.A O no hydrogen 3.213 N/A CYS 133.A SG.B ILE 129.A O no hydrogen 3.309 N/A LEU 134.A N GLU 131.A O no hydrogen 3.190 N/A LYS 135.A N ASP 132.A O no hydrogen 3.278 N/A SER 136.A N CYS 133.A O.A no hydrogen 3.462 N/A SER 136.A N CYS 133.A O.B no hydrogen 3.410 N/A ASP 138.A N SER 136.A OG no hydrogen 3.229 N/A ILE 142.A N ASP 138.A O no hydrogen 3.048 N/A GLY 143.A N PRO 139.A O no hydrogen 2.904 N/A ILE 144.A N LEU 140.A O no hydrogen 2.918 N/A GLY 145.A N MET 141.A O no hydrogen 2.895 N/A LEU 146.A N ILE 142.A O no hydrogen 2.898 N/A ILE 147.A N GLY 143.A O no hydrogen 2.906 N/A GLY 148.A N ILE 144.A O no hydrogen 2.919 N/A MET 149.A N GLY 145.A O no hydrogen 2.899 N/A THR 150.A N LEU 146.A O no hydrogen 2.905 N/A THR 150.A OG1 LEU 146.A O no hydrogen 2.265 N/A GLY 151.A N ILE 147.A O no hydrogen 2.866 N/A ARG 152.A NE THR 150.A O no hydrogen 2.874 N/A ARG 152.A NH1 THR 150.A O no hydrogen 3.043 N/A ARG 152.A NH1 TYR 267.A OH no hydrogen 3.399 N/A ARG 152.A NH1 ILE 289.A O no hydrogen 2.715 N/A ARG 152.A NH2 ILE 289.A O no hydrogen 3.198 N/A ALA 153.A N GLU 156.A OE1 no hydrogen 3.028 N/A TYR 155.A OH MET 227.A O no hydrogen 3.198 N/A VAL 157.A N ALA 153.A O no hydrogen 2.764 N/A PHE 158.A N PRO 154.A O no hydrogen 2.903 N/A THR 159.A N TYR 155.A O no hydrogen 2.909 N/A GLN 160.A N GLU 156.A O no hydrogen 3.164 N/A SER 164.A N LEU 178.A O no hydrogen 3.051 N/A TYR 168.A N GLY 171.A O no hydrogen 2.962 N/A SER 173.A N ALA 166.A O no hydrogen 2.684 N/A SER 173.A OG SER 176.A OG no hydrogen 2.632 N/A SER 176.A OG SER 173.A OG no hydrogen 2.632 N/A SER 176.A OG GLU 198.A OE2 no hydrogen 2.733 N/A ILE 177.A N ILE 199.A O no hydrogen 2.910 N/A LEU 178.A N SER 164.A O no hydrogen 2.679 N/A PHE 179.A N TYR 197.A O no hydrogen 2.945 N/A GLN 182.A NE2 LEU 290.A O no hydrogen 2.737 N/A ALA 183.A N GLU 156.A OE2 no hydrogen 3.251 N/A GLN 187.A N THR 185.A OG1 no hydrogen 3.385 N/A GLY 188.A N THR 185.A O no hydrogen 3.034 N/A THR 191.A N GLY 188.A O no hydrogen 3.473 N/A THR 191.A OG1 GLY 188.A O no hydrogen 2.690 N/A ILE 195.A N LYS 192.A O no hydrogen 3.242 N/A THR 196.A OG1 ASN 180.A OD1 no hydrogen 3.330 N/A TYR 197.A N PHE 179.A O no hydrogen 3.121 N/A TYR 197.A OH GLN 182.A OE1 no hydrogen 2.702 N/A ILE 199.A N ILE 177.A O no hydrogen 2.889 N/A VAL 201.A N TRP 175.A O no hydrogen 3.047 N/A LEU 202.A N MET 149.A O no hydrogen 3.250 N/A THR 203.A OG1 GLU 131.A OE1 no hydrogen 3.179 N/A SER 205.A N LYS 174.A O no hydrogen 2.811 N/A SER 205.A OG SER 173.A O no hydrogen 2.976 N/A LEU 209.A N SER 205.A O no hydrogen 2.909 N/A ALA 210.A N GLU 206.A O no hydrogen 2.908 N/A ALA 211.A N THR 207.A O no hydrogen 2.902 N/A TYR 212.A N VAL 208.A O no hydrogen 2.903 N/A TYR 212.A OH ALA 161.A O no hydrogen 2.201 N/A LYS 213.A N LEU 209.A O no hydrogen 2.907 N/A ARG 214.A N ALA 210.A O no hydrogen 2.908 N/A ARG 214.A NH1 LEU 134.A O no hydrogen 3.139 N/A ARG 214.A NH1 SER 136.A O no hydrogen 3.229 N/A ARG 214.A NH2 SER 136.A O no hydrogen 2.454 N/A LEU 215.A N TYR 212.A O no hydrogen 3.026 N/A ARG 216.A N TYR 212.A O no hydrogen 2.907 N/A ARG 216.A NH1 PHE 158.A O no hydrogen 2.558 N/A ARG 216.A NH1 GLY 221.A O no hydrogen 2.911 N/A ARG 216.A NH2 VAL 157.A O no hydrogen 3.154 N/A ARG 216.A NH2 TYR 212.A OH no hydrogen 3.108 N/A GLU 217.A N LYS 213.A O no hydrogen 3.303 N/A SER 218.A N LEU 215.A O no hydrogen 3.336 N/A LYS 222.A N SER 218.A O no hydrogen 3.253 N/A LEU 223.A N GLY 219.A O no hydrogen 2.907 N/A TRP 224.A N GLN 220.A O no hydrogen 2.891 N/A TRP 224.A NE1 THR 236.A OG1 no hydrogen 2.516 N/A HIS 225.A N GLY 221.A O no hydrogen 2.957 N/A GLY 226.A N THR 159.A O no hydrogen 3.218 N/A MET 227.A N TRP 224.A O no hydrogen 3.062 N/A ASP 231.A N SER 228.A OG no hydrogen 3.293 N/A PHE 232.A N SER 228.A O no hydrogen 3.331 N/A SER 233.A N ILE 229.A O no hydrogen 2.910 N/A SER 233.A OG ILE 229.A O no hydrogen 2.718 N/A SER 234.A N ASP 230.A O no hydrogen 2.904 N/A SER 234.A OG ASP 230.A O no hydrogen 2.818 N/A SER 234.A OG ASP 231.A O no hydrogen 2.867 N/A GLU 235.A N PHE 232.A O no hydrogen 3.134 N/A THR 236.A N PHE 232.A O no hydrogen 2.912 N/A LEU 240.A N THR 236.A O no hydrogen 2.694 N/A ARG 241.A N ARG 237.A O no hydrogen 2.899 N/A ASP 242.A N LEU 238.A O no hydrogen 2.906 N/A THR 243.A N LEU 239.A O no hydrogen 2.904 N/A THR 243.A OG1 LEU 239.A O no hydrogen 2.689 N/A VAL 244.A N LEU 240.A O no hydrogen 2.901 N/A PHE 245.A N ARG 241.A O no hydrogen 2.904 N/A ASN 246.A N ASP 242.A O no hydrogen 2.913 N/A LEU 247.A N THR 243.A O no hydrogen 2.905 N/A PHE 248.A N VAL 244.A O no hydrogen 3.284 N/A TRP 252.A NE1 GLU 256.A OE2 no hydrogen 2.832 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.941 N/A LYS 259.A NZ LEU 257.A O no hydrogen 3.480 N/A TYR 261.A OH TYR 303.A OH no hydrogen 2.283 N/A GLY 262.A N LYS 259.A O no hydrogen 3.049 N/A LEU 263.A N PRO 260.A O no hydrogen 2.910 N/A ARG 264.A N TYR 261.A O no hydrogen 2.910 N/A ARG 264.A NE TYR 303.A OH no hydrogen 3.540 N/A ARG 264.A NH2 LEU 290.A O no hydrogen 2.984 N/A HIS 265.A N TYR 261.A O no hydrogen 3.329 N/A HIS 265.A ND1 THR 305.A OG1 no hydrogen 2.954 N/A LEU 266.A N GLY 262.A O no hydrogen 2.906 N/A TYR 267.A N LEU 263.A O no hydrogen 3.128 N/A TYR 267.A OH PRO 200.A O no hydrogen 2.574 N/A ALA 268.A N ARG 264.A O no hydrogen 3.030 N/A GLU 269.A N HIS 265.A O no hydrogen 3.138 N/A VAL 270.A N LEU 266.A O no hydrogen 2.997 N/A ALA 271.A N TYR 267.A O no hydrogen 2.632 N/A TYR 272.A N ALA 268.A O no hydrogen 2.710 N/A TYR 272.A N GLU 269.A O no hydrogen 2.928 N/A HIS 273.A N VAL 270.A O no hydrogen 2.917 N/A ASN 274.A N VAL 270.A O no hydrogen 3.042 N/A ASN 274.A ND2 VAL 270.A O no hydrogen 2.807 N/A LYS 282.A NZ GLU 269.A OE2 no hydrogen 2.792 N/A TYR 285.A N THR 281.A O no hydrogen 2.795 N/A TYR 285.A OH ALA 271.A O no hydrogen 3.338 N/A PHE 286.A N LYS 282.A O no hydrogen 2.906 N/A ALA 287.A N ASN 283.A O no hydrogen 2.906 N/A ALA 288.A N TYR 285.A O no hydrogen 3.080 N/A ILE 289.A N TYR 285.A O no hydrogen 2.909 N/A LEU 290.A N PHE 286.A O no hydrogen 2.991 N/A HIS 292.A N ALA 287.A O no hydrogen 3.152 N/A ASN 294.A N GLY 190.A O no hydrogen 2.886 N/A ASN 294.A ND2 GLY 190.A O no hydrogen 3.692 N/A ASP 296.A N ASN 293.A O no hydrogen 3.241 N/A GLU 298.A N ASP 296.A OD2 no hydrogen 3.085 N/A THR 299.A OG1 ASP 296.A OD1 no hydrogen 2.444 N/A SER 300.A OG ASN 283.A OD1 no hydrogen 3.303 N/A SER 300.A OG LEU 297.A O no hydrogen 2.637 N/A LEU 301.A N GLU 298.A O no hydrogen 3.314 N/A SER 302.A N THR 299.A O no hydrogen 3.099 N/A TYR 303.A N SER 300.A O no hydrogen 3.231 N/A TYR 303.A OH TYR 261.A OH no hydrogen 2.283 N/A THR 305.A N TYR 303.A O no hydrogen 2.994 N/A THR 305.A OG1 HIS 265.A ND1 no hydrogen 2.954 N/A TYR 306.A OH GLU 256.A OE2 no hydrogen 2.493 N/A THR 307.A N ILE 118.A O no hydrogen 2.952 N/A GLU 310.A N GLU 310.A OE1 no hydrogen 2.869 N/A ARG 312.A N LEU 308.A O no hydrogen 2.992 N/A ARG 312.A NE ASP 313.A OD1 no hydrogen 3.129 N/A ARG 312.A NH1 GLU 121.A OE2 no hydrogen 2.700 N/A ARG 312.A NH2 GLU 121.A OE2 no hydrogen 2.968 N/A ARG 312.A NH2 ASP 313.A OD1 no hydrogen 3.522 N/A ASP 313.A N PRO 309.A O no hydrogen 2.901 N/A ASN 314.A N GLU 310.A O no hydrogen 2.899 N/A LEU 316.A N ARG 312.A O no hydrogen 2.902 N/A ALA 317.A N ASP 313.A O no hydrogen 3.048 N/A