Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N ASN 5.A OD1 no hydrogen 2.943 N/A ASN 4.A ND2 ALA 160.A O no hydrogen 2.563 N/A LEU 6.A N LEU 3.A O no hydrogen 3.198 N/A GLN 7.A N PHE 149.A O no hydrogen 3.043 N/A ILE 10.A N ILE 147.A O no hydrogen 2.976 N/A ASN 12.A N HIS 145.A O no hydrogen 3.008 N/A PHE 17.A N ILE 138.A O no hydrogen 3.003 N/A GLY 19.A N LEU 136.A O no hydrogen 3.098 N/A ILE 21.A N ASP 134.A O no hydrogen 2.920 N/A GLN 24.A N ASP 23.A OD1 no hydrogen 2.748 N/A GLN 24.A NE2 ASP 26.A OD1 no hydrogen 3.094 N/A ASP 26.A N GLN 24.A O no hydrogen 2.826 N/A GLY 28.A N VAL 107.A O no hydrogen 2.729 N/A THR 29.A N ASP 26.A O no hydrogen 2.810 N/A THR 29.A OG1 ASP 26.A O no hydrogen 2.423 N/A LEU 30.A N SER 150.A O no hydrogen 2.939 N/A ILE 31.A N ILE 105.A O no hydrogen 2.830 N/A VAL 32.A N GLY 148.A O no hydrogen 2.925 N/A ILE 33.A N ILE 103.A O no hydrogen 2.736 N/A ARG 34.A N SER 146.A O no hydrogen 2.911 N/A GLY 35.A N PHE 101.A O no hydrogen 3.087 N/A HIS 36.A N ASN 143.A O no hydrogen 2.919 N/A HIS 36.A ND1 HIS 145.A NE2 no hydrogen 3.005 N/A VAL 37.A N LYS 99.A O no hydrogen 3.227 N/A ALA 41.A N PRO 38.A O no hydrogen 3.081 N/A ARG 43.A NH2 GLN 45.A OE1 no hydrogen 3.449 N/A PHE 44.A N PRO 66.A O no hydrogen 3.269 N/A GLN 45.A N TYR 139.A O no hydrogen 2.868 N/A GLN 45.A NE2 ASP 47.A OD1 no hydrogen 2.539 N/A GLN 45.A NE2 ASP 47.A OD2 no hydrogen 3.550 N/A VAL 46.A N PHE 64.A O no hydrogen 2.759 N/A ASP 47.A N GLY 137.A O no hydrogen 2.806 N/A LEU 48.A N PHE 62.A O no hydrogen 2.903 N/A GLN 49.A N THR 135.A O no hydrogen 2.833 N/A GLN 49.A NE2 GLY 51.A O no hydrogen 3.085 N/A ASN 50.A N ASP 59.A O no hydrogen 2.956 N/A GLY 51.A N ASP 134.A OD1 no hydrogen 2.562 N/A SER 53.A OG PRO 56.A O no hydrogen 2.936 N/A LYS 55.A N SER 53.A OG no hydrogen 3.321 N/A ARG 57.A N GLU 82.A OE2 no hydrogen 3.159 N/A ALA 58.A N SER 53.A O no hydrogen 2.689 N/A VAL 60.A N LEU 79.A O no hydrogen 3.207 N/A PHE 62.A N LEU 48.A O no hydrogen 3.161 N/A HIS 63.A N ASN 77.A O no hydrogen 2.945 N/A HIS 63.A ND1 ASP 47.A OD2 no hydrogen 2.664 N/A PHE 64.A N VAL 46.A O no hydrogen 2.873 N/A ASN 65.A N VAL 75.A O no hydrogen 2.759 N/A ASN 65.A ND2 PHE 44.A O no hydrogen 2.645 N/A ARG 67.A N CYS 73.A O no hydrogen 2.781 N/A ARG 67.A NE ASN 65.A OD1 no hydrogen 2.917 N/A ARG 67.A NH2 ASN 65.A OD1 no hydrogen 3.391 N/A PHE 68.A N ASP 42.A O no hydrogen 2.931 N/A LYS 69.A NZ ALA 71.A O no hydrogen 2.788 N/A CYS 73.A N ARG 67.A O no hydrogen 3.242 N/A ILE 74.A N THR 90.A O no hydrogen 2.768 N/A VAL 75.A N ASN 65.A O no hydrogen 2.713 N/A CYS 76.A N GLU 88.A O no hydrogen 2.925 N/A CYS 76.A SG HIS 63.A O no hydrogen 3.691 N/A ASN 77.A N HIS 63.A O no hydrogen 3.262 N/A ASN 77.A ND2 GLY 85.A O no hydrogen 3.196 N/A THR 78.A N ASN 77.A OD1 no hydrogen 2.721 N/A THR 78.A OG1 ALA 61.A O no hydrogen 2.844 N/A THR 78.A OG1 TYR 124.A OH no hydrogen 2.630 N/A LEU 79.A N VAL 60.A O no hydrogen 3.029 N/A ILE 80.A N LYS 83.A O no hydrogen 2.974 N/A ASN 81.A N ASP 59.A OD1 no hydrogen 3.104 N/A LYS 83.A N ILE 80.A O no hydrogen 2.828 N/A GLY 85.A N THR 78.A O no hydrogen 2.889 N/A ARG 86.A NH1 GLU 88.A OE2 no hydrogen 2.623 N/A GLU 88.A N CYS 76.A O no hydrogen 2.951 N/A THR 90.A N ILE 74.A O no hydrogen 2.871 N/A PHE 95.A N THR 93.A OG1 no hydrogen 3.226 N/A ARG 97.A NE ALA 41.A O no hydrogen 2.554 N/A ARG 97.A NH2 ALA 41.A O no hydrogen 2.751 N/A GLU 98.A N VAL 37.A O no hydrogen 2.709 N/A LYS 99.A N LYS 96.A O no hydrogen 3.342 N/A LYS 99.A NZ GLU 98.A O no hydrogen 3.503 N/A PHE 101.A N GLY 35.A O no hydrogen 2.736 N/A GLU 102.A N ASN 117.A OD1 no hydrogen 3.108 N/A ILE 103.A N ILE 33.A O no hydrogen 2.579 N/A VAL 104.A N ALA 115.A O no hydrogen 2.718 N/A ILE 105.A N ILE 31.A O no hydrogen 2.846 N/A MET 106.A N GLN 113.A O no hydrogen 2.771 N/A VAL 107.A N THR 29.A O no hydrogen 2.786 N/A LEU 108.A N LYS 111.A O no hydrogen 2.766 N/A LYS 111.A NZ ASP 110.A OD1 no hydrogen 2.980 N/A PHE 112.A N TYR 124.A O no hydrogen 2.689 N/A GLN 113.A N MET 106.A O no hydrogen 2.881 N/A VAL 114.A N LEU 122.A O no hydrogen 3.012 N/A ALA 115.A N VAL 104.A O no hydrogen 2.929 N/A VAL 116.A N LYS 119.A O no hydrogen 3.014 N/A ASN 117.A N GLU 102.A O no hydrogen 2.849 N/A LYS 119.A N VAL 116.A O no hydrogen 3.195 N/A THR 121.A N VAL 114.A O no hydrogen 2.851 N/A THR 121.A OG1 LYS 119.A O no hydrogen 3.295 N/A LEU 122.A N VAL 114.A O no hydrogen 3.323 N/A TYR 124.A N PHE 112.A O no hydrogen 2.954 N/A TYR 124.A OH THR 78.A OG1 no hydrogen 2.630 N/A HIS 126.A N ASP 110.A O no hydrogen 2.905 N/A HIS 126.A NE2 LEU 108.A O no hydrogen 2.747 N/A ARG 127.A NH1 ASN 77.A OD1 no hydrogen 2.928 N/A ARG 127.A NH1 ARG 86.A O no hydrogen 3.341 N/A ARG 127.A NH2 ARG 86.A O no hydrogen 2.580 N/A ARG 127.A NH2 GLU 88.A OE2 no hydrogen 2.696 N/A LYS 132.A N GLY 129.A O no hydrogen 2.890 N/A ILE 133.A N PRO 130.A O no hydrogen 3.095 N/A ASP 134.A N GLN 49.A O no hydrogen 3.048 N/A THR 135.A N GLN 49.A O no hydrogen 3.142 N/A LEU 136.A N GLY 19.A O no hydrogen 2.814 N/A GLY 137.A N ASP 47.A O no hydrogen 2.894 N/A ILE 138.A N PHE 17.A O no hydrogen 2.957 N/A TYR 139.A N GLN 45.A O no hydrogen 3.111 N/A TYR 139.A OH GLN 49.A OE1 no hydrogen 2.585 N/A LYS 141.A N ARG 43.A O no hydrogen 3.005 N/A ASN 143.A N HIS 36.A O no hydrogen 2.993 N/A HIS 145.A N ARG 34.A O no hydrogen 2.782 N/A HIS 145.A NE2 HIS 36.A ND1 no hydrogen 3.005 N/A SER 146.A N ARG 34.A O no hydrogen 3.103 N/A ILE 147.A N ILE 10.A O no hydrogen 3.034 N/A GLY 148.A N VAL 32.A O no hydrogen 2.785 N/A PHE 149.A N ASN 8.A O no hydrogen 2.900 N/A SER 150.A N LEU 30.A O no hydrogen 2.891 N/A SER 150.A OG ASN 5.A O no hydrogen 2.836 N/A SER 152.A OG PRO 27.A O no hydrogen 2.701 N/A MET 155.A N LEU 283.A O no hydrogen 2.663 N/A ARG 156.A NH1 HIS 154.A O no hydrogen 3.220 N/A PHE 159.A N ILE 277.A O no hydrogen 3.075 N/A ALA 160.A N ASN 4.A OD1 no hydrogen 3.458 N/A ALA 161.A N LEU 275.A O no hydrogen 2.886 N/A LEU 163.A N ASP 273.A O no hydrogen 3.287 N/A GLY 170.A N CYS 245.A O no hydrogen 2.641 N/A ARG 171.A N GLY 168.A O no hydrogen 2.900 N/A ARG 171.A NH2 THR 165.A O no hydrogen 2.793 N/A THR 172.A N TRP 289.A O no hydrogen 2.926 N/A VAL 173.A N ILE 243.A O no hydrogen 2.799 N/A VAL 174.A N ARG 287.A O no hydrogen 2.748 N/A VAL 175.A N MET 241.A O no hydrogen 2.640 N/A LYS 176.A N GLU 285.A O no hydrogen 3.085 N/A LYS 176.A NZ GLU 285.A OE2 no hydrogen 3.376 N/A GLY 177.A N PHE 239.A O no hydrogen 3.037 N/A GLU 178.A N HIS 282.A O no hydrogen 2.895 N/A VAL 179.A N MET 237.A O no hydrogen 3.180 N/A ASN 180.A N ASP 280.A O no hydrogen 2.892 N/A ALA 183.A N ASN 180.A O no hydrogen 2.981 N/A LYS 184.A N ASP 280.A OD2 no hydrogen 2.560 N/A SER 185.A N ASP 280.A OD2 no hydrogen 2.921 N/A PHE 186.A N PRO 204.A O no hydrogen 3.190 N/A ASN 187.A N ASN 278.A O no hydrogen 2.831 N/A VAL 188.A N LEU 202.A O no hydrogen 2.664 N/A ASP 189.A N GLU 276.A O no hydrogen 2.619 N/A LEU 190.A N LEU 200.A O no hydrogen 2.958 N/A LEU 191.A N THR 274.A O no hydrogen 2.592 N/A ALA 192.A N ASP 197.A O no hydrogen 3.087 N/A GLY 193.A N ASP 273.A OD2 no hydrogen 2.890 N/A LYS 196.A N ALA 192.A O no hydrogen 2.824 N/A ILE 198.A N PHE 216.A O no hydrogen 2.763 N/A LEU 200.A N LEU 190.A O no hydrogen 3.363 N/A HIS 201.A N ASN 214.A O no hydrogen 2.883 N/A HIS 201.A ND1 ASP 189.A OD1 no hydrogen 2.428 N/A LEU 202.A N VAL 188.A O no hydrogen 2.874 N/A ASN 203.A N VAL 212.A O no hydrogen 2.631 N/A ASN 203.A ND2 PHE 186.A O no hydrogen 2.566 N/A ARG 205.A N ALA 210.A O no hydrogen 2.639 N/A ARG 205.A NE ASN 203.A OD1 no hydrogen 2.876 N/A ARG 205.A NH2 ASN 203.A OD1 no hydrogen 3.258 N/A LEU 206.A N LYS 184.A O no hydrogen 2.691 N/A ASN 207.A N LYS 184.A O no hydrogen 3.358 N/A LYS 209.A N LEU 206.A O no hydrogen 3.275 N/A ALA 210.A N ARG 205.A O no hydrogen 2.819 N/A VAL 212.A N ASN 203.A O no hydrogen 2.987 N/A ARG 213.A NH1 PHE 211.A O no hydrogen 2.492 N/A ARG 213.A NH2 ASN 227.A O no hydrogen 2.351 N/A ASN 214.A N HIS 201.A O no hydrogen 3.059 N/A SER 215.A OG ALA 199.A O no hydrogen 3.077 N/A SER 215.A OG TYR 262.A OH no hydrogen 2.601 N/A PHE 216.A N ILE 198.A O no hydrogen 2.859 N/A LEU 217.A N SER 220.A O no hydrogen 2.996 N/A SER 220.A OG LEU 217.A O no hydrogen 2.981 N/A GLY 222.A N SER 215.A O no hydrogen 3.076 N/A GLU 225.A N ARG 213.A O no hydrogen 3.409 N/A ARG 226.A NE GLU 224.A OE1 no hydrogen 2.918 N/A ARG 226.A NH2 GLU 224.A OE1 no hydrogen 2.850 N/A GLY 236.A N ASN 180.A O no hydrogen 3.140 N/A MET 237.A N SER 234.A O no hydrogen 3.001 N/A PHE 239.A N GLY 177.A O no hydrogen 2.830 N/A GLU 240.A N ASN 255.A OD1 no hydrogen 2.939 N/A MET 241.A N VAL 175.A O no hydrogen 2.574 N/A ILE 242.A N ALA 253.A O no hydrogen 2.998 N/A ILE 243.A N VAL 173.A O no hydrogen 2.646 N/A TYR 244.A N LYS 251.A O no hydrogen 2.903 N/A CYS 245.A N ARG 171.A O no hydrogen 2.948 N/A CYS 245.A SG ASP 246.A O no hydrogen 3.856 N/A ASP 246.A N GLU 249.A O no hydrogen 2.892 N/A VAL 247.A N ASP 246.A OD1 no hydrogen 2.943 N/A PHE 250.A N TYR 262.A O no hydrogen 2.958 N/A LYS 251.A N TYR 244.A O no hydrogen 2.751 N/A LYS 251.A NZ ASP 246.A OD2 no hydrogen 3.021 N/A VAL 252.A N LEU 260.A O no hydrogen 2.965 N/A ALA 253.A N ILE 242.A O no hydrogen 3.059 N/A VAL 254.A N VAL 257.A O no hydrogen 2.894 N/A ASN 255.A N GLU 240.A O no hydrogen 2.971 N/A ASN 255.A ND2 TYR 238.A O no hydrogen 3.274 N/A VAL 257.A N VAL 254.A O no hydrogen 3.055 N/A SER 259.A N VAL 252.A O no hydrogen 2.765 N/A LEU 260.A N VAL 252.A O no hydrogen 3.309 N/A TYR 262.A N PHE 250.A O no hydrogen 3.065 N/A TYR 262.A OH SER 215.A OG no hydrogen 2.601 N/A HIS 264.A N ARG 248.A O no hydrogen 3.075 N/A ARG 265.A NH1 GLU 223.A O no hydrogen 3.301 N/A ARG 265.A NH2 GLU 223.A O no hydrogen 2.827 N/A ARG 265.A NH2 GLU 225.A OE2 no hydrogen 3.040 N/A LEU 269.A N LYS 267.A O no hydrogen 2.915 N/A SER 270.A OG GLU 268.A OE1 no hydrogen 2.749 N/A SER 271.A N GLU 268.A O no hydrogen 2.865 N/A SER 271.A OG GLU 268.A OE1 no hydrogen 3.122 N/A ILE 272.A N LEU 269.A O no hydrogen 2.915 N/A THR 274.A N LEU 191.A O no hydrogen 3.017 N/A THR 274.A OG1 ASP 273.A OD2 no hydrogen 2.999 N/A LEU 275.A N ALA 161.A O no hydrogen 2.724 N/A GLU 276.A N ASP 189.A O no hydrogen 2.750 N/A ILE 277.A N PHE 159.A O no hydrogen 2.866 N/A ASN 278.A N ASN 187.A O no hydrogen 3.060 N/A GLY 279.A N ASN 278.A OD1 no hydrogen 3.081 N/A ASP 280.A N SER 185.A O no hydrogen 2.864 N/A ILE 281.A N GLY 279.A O no hydrogen 3.001 N/A HIS 282.A N GLU 178.A O no hydrogen 2.745 N/A HIS 282.A ND1 ASN 180.A OD1 no hydrogen 2.806 N/A LEU 284.A N LYS 176.A O no hydrogen 2.882 N/A GLU 285.A N LYS 176.A O no hydrogen 3.269 N/A ARG 287.A N VAL 174.A O no hydrogen 2.914 N/A SER 288.A OG ASN 164.A OD1 no hydrogen 2.743 N/A TRP 289.A N THR 172.A O no hydrogen 2.535 N/A