Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wa6_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N GLU 32.A O no hydrogen 2.814 N/A SER 7.A OG ASP 9.A OD2 no hydrogen 2.634 N/A LEU 8.A N VAL 34.A O no hydrogen 2.975 N/A LYS 10.A N SER 7.A O no hydrogen 3.081 N/A LYS 10.A NZ GLU 15.A OE1 no hydrogen 3.528 N/A LYS 10.A NZ GLU 15.A OE2 no hydrogen 3.283 N/A VAL 11.A N LEU 8.A O no hydrogen 3.005 N/A ASN 12.A N ASP 9.A O no hydrogen 3.049 N/A GLY 13.A N LYS 10.A O no hydrogen 3.304 N/A ARG 16.A N GLY 13.A O no hydrogen 2.971 N/A ARG 16.A NH1 GLU 126.A OE1 no hydrogen 3.421 N/A ARG 16.A NH1 GLU 126.A OE2 no hydrogen 2.943 N/A ARG 16.A NH2 GLU 126.A OE1 no hydrogen 2.837 N/A THR 19.A N GLU 15.A O no hydrogen 3.141 N/A LYS 22.A NZ GLU 26.A OE1 no hydrogen 2.978 N/A ASP 23.A N GLU 20.A O no hydrogen 2.986 N/A CYS 25.A N ILE 21.A O no hydrogen 2.884 N/A CYS 25.A SG ILE 21.A O no hydrogen 3.120 N/A GLU 26.A N LYS 22.A O no hydrogen 2.967 N/A ASN 27.A N ASP 23.A O no hydrogen 2.830 N/A ASN 27.A ND2 ASP 23.A O no hydrogen 3.358 N/A ASN 27.A ND2 ASP 23.A OD1 no hydrogen 2.757 N/A TRP 28.A N ALA 24.A O no hydrogen 2.935 N/A GLY 29.A N ALA 24.A O no hydrogen 2.792 N/A PHE 31.A N VAL 206.A O no hydrogen 2.966 N/A GLU 32.A N PRO 4.A O no hydrogen 2.959 N/A LEU 33.A N ILE 204.A O no hydrogen 2.777 N/A VAL 34.A N ILE 6.A O no hydrogen 2.909 N/A ASN 35.A ND2 SER 7.A OG no hydrogen 2.907 N/A HIS 36.A NE2 HIS 202.A O no hydrogen 2.764 N/A ILE 38.A N HIS 36.A ND1 no hydrogen 3.274 N/A VAL 42.A N PRO 39.A O no hydrogen 3.078 N/A THR 44.A N GLU 41.A O no hydrogen 3.058 N/A THR 44.A OG1 GLU 41.A O no hydrogen 3.031 N/A VAL 45.A N VAL 42.A O no hydrogen 2.908 N/A LYS 47.A N ASP 43.A O no hydrogen 3.189 N/A THR 48.A OG1 VAL 45.A O no hydrogen 2.777 N/A THR 48.A OG1 TYR 103.A OH no hydrogen 2.818 N/A LYS 49.A N GLU 46.A O no hydrogen 2.989 N/A LYS 49.A NZ GLU 46.A OE2 no hydrogen 3.024 N/A LYS 49.A NZ ASP 181.A OD2 no hydrogen 3.221 N/A GLY 50.A N LYS 47.A O no hydrogen 2.896 N/A TYR 52.A N THR 48.A O no hydrogen 2.876 N/A TYR 52.A OH TRP 79.A O no hydrogen 2.703 N/A LYS 53.A N LYS 49.A O no hydrogen 3.187 N/A LYS 54.A N GLY 50.A O no hydrogen 3.191 N/A LYS 54.A NZ GLU 56.A OE1 no hydrogen 3.418 N/A CYS 55.A N HIS 51.A O no hydrogen 3.020 N/A CYS 55.A SG HIS 51.A O no hydrogen 3.243 N/A GLN 57.A N LYS 54.A O no hydrogen 3.032 N/A ARG 58.A N CYS 55.A O no hydrogen 2.997 N/A ARG 58.A NH1 ASP 78.A O no hydrogen 2.774 N/A ARG 58.A NH1 GLU 80.A O no hydrogen 2.916 N/A LYS 60.A N GLU 56.A O no hydrogen 3.364 N/A GLU 61.A N GLN 57.A O no hydrogen 3.222 N/A LEU 62.A N ARG 58.A O no hydrogen 2.969 N/A VAL 63.A N PHE 59.A O no hydrogen 2.838 N/A ALA 64.A N LYS 60.A O no hydrogen 3.183 N/A SER 65.A N GLU 61.A O no hydrogen 2.931 N/A SER 65.A OG GLU 61.A O no hydrogen 2.947 N/A SER 65.A OG LEU 62.A O no hydrogen 3.352 N/A LYS 66.A N LEU 62.A O no hydrogen 2.928 N/A ALA 67.A N VAL 63.A O no hydrogen 2.954 N/A LEU 68.A N ALA 64.A O no hydrogen 3.358 N/A GLU 69.A N LYS 66.A O no hydrogen 3.080 N/A GLY 70.A N ALA 67.A O no hydrogen 2.613 N/A VAL 71.A N LYS 66.A O no hydrogen 3.099 N/A GLU 74.A N ASP 77.A OD2 no hydrogen 2.848 N/A ASP 77.A N GLU 74.A O no hydrogen 2.973 N/A GLU 80.A N ASP 78.A OD1 no hydrogen 3.368 N/A SER 81.A N ASN 153.A O no hydrogen 2.904 N/A THR 82.A OG1 GLU 80.A OE2 no hydrogen 2.558 N/A THR 82.A OG1 SER 152.A OG no hydrogen 2.872 N/A PHE 83.A N VAL 151.A O no hydrogen 2.995 N/A LEU 85.A N THR 149.A O no hydrogen 3.136 N/A LYS 86.A NZ LEU 88.A O no hydrogen 2.653 N/A LYS 86.A NZ ASN 146.A OD1 no hydrogen 3.122 N/A HIS 87.A N PHE 147.A O no hydrogen 2.974 N/A HIS 87.A NE2 THR 149.A OG1 no hydrogen 2.890 N/A LEU 88.A N PHE 147.A O no hydrogen 3.293 N/A ASN 92.A ND2 LYS 86.A O no hydrogen 3.313 N/A ILE 93.A N SER 91.A OG no hydrogen 3.369 N/A GLU 95.A N ASN 92.A O no hydrogen 3.179 N/A TYR 103.A N ASP 100.A O no hydrogen 3.005 N/A TYR 103.A OH THR 48.A OG1 no hydrogen 2.818 N/A ARG 104.A N ASP 100.A O no hydrogen 3.126 N/A ARG 104.A N GLU 101.A O no hydrogen 2.996 N/A ARG 104.A NE LEU 99.A O no hydrogen 3.029 N/A ARG 104.A NH1 ILE 93.A O no hydrogen 3.090 N/A ARG 104.A NH1 VAL 96.A O no hydrogen 2.797 N/A ARG 104.A NH2 VAL 96.A O no hydrogen 2.954 N/A ARG 104.A NH2 LEU 99.A O no hydrogen 3.086 N/A GLU 105.A N GLU 101.A O no hydrogen 3.198 N/A ASP 108.A N GLU 105.A O no hydrogen 3.134 N/A PHE 109.A N VAL 106.A O no hydrogen 3.081 N/A LYS 111.A N ARG 107.A O no hydrogen 2.963 N/A ARG 112.A N ASP 108.A O no hydrogen 2.941 N/A ARG 112.A NE ASP 108.A OD1 no hydrogen 2.887 N/A ARG 112.A NE ASP 108.A OD2 no hydrogen 2.924 N/A ARG 112.A NH2 ASP 108.A OD2 no hydrogen 3.353 N/A LEU 113.A N PHE 109.A O no hydrogen 3.119 N/A GLU 114.A N ALA 110.A O no hydrogen 3.260 N/A LYS 115.A N LYS 111.A O no hydrogen 3.150 N/A LEU 116.A N ARG 112.A O no hydrogen 3.035 N/A ALA 117.A N LEU 113.A O no hydrogen 2.880 N/A GLU 118.A N GLU 114.A O no hydrogen 3.100 N/A GLU 118.A N LYS 115.A O no hydrogen 3.335 N/A GLU 119.A N LYS 115.A O no hydrogen 3.057 N/A LEU 120.A N LEU 116.A O no hydrogen 2.926 N/A LEU 121.A N ALA 117.A O no hydrogen 2.900 N/A ASP 122.A N GLU 118.A O no hydrogen 3.005 N/A LEU 123.A N GLU 119.A O no hydrogen 3.013 N/A LEU 124.A N LEU 120.A O no hydrogen 2.845 N/A CYS 125.A N LEU 121.A O no hydrogen 2.777 N/A CYS 125.A SG LEU 121.A O no hydrogen 3.227 N/A CYS 125.A SG GLU 131.A O no hydrogen 3.689 N/A GLU 126.A N ASP 122.A O no hydrogen 2.874 N/A ASN 127.A N LEU 123.A O no hydrogen 3.094 N/A LEU 128.A N LEU 124.A O no hydrogen 3.009 N/A LEU 128.A N CYS 125.A O no hydrogen 2.923 N/A GLY 129.A N GLU 126.A O no hydrogen 3.011 N/A LEU 130.A N CYS 125.A O no hydrogen 2.947 N/A LYS 132.A NZ ASP 122.A OD2 no hydrogen 3.195 N/A GLY 133.A N ASP 122.A OD1 no hydrogen 2.669 N/A TYR 134.A N GLU 131.A O no hydrogen 3.184 N/A ASN 137.A N GLY 133.A O no hydrogen 2.692 N/A ALA 138.A N TYR 134.A O no hydrogen 2.838 N/A PHE 139.A N LEU 135.A O no hydrogen 2.948 N/A TYR 140.A N ASN 137.A O no hydrogen 2.883 N/A SER 142.A N ASP 245.A OD1 no hydrogen 3.335 N/A SER 142.A OG ASP 245.A OD2 no hydrogen 2.476 N/A ASN 146.A N ASN 241.A O no hydrogen 2.913 N/A PHE 147.A N LEU 88.A O no hydrogen 3.065 N/A GLY 148.A N PHE 239.A O no hydrogen 3.247 N/A THR 149.A N LEU 85.A O no hydrogen 3.121 N/A THR 149.A OG1 HIS 87.A NE2 no hydrogen 2.890 N/A THR 149.A OG1 SER 238.A OG no hydrogen 2.569 N/A LYS 150.A N ALA 237.A O no hydrogen 2.833 N/A VAL 151.A N PHE 83.A O no hydrogen 2.821 N/A SER 152.A N SER 235.A O no hydrogen 2.841 N/A SER 152.A OG THR 82.A OG1 no hydrogen 2.872 N/A ASN 153.A N SER 81.A O no hydrogen 2.803 N/A TYR 154.A N ARG 234.A O no hydrogen 3.103 N/A TYR 154.A OH SER 235.A OG no hydrogen 2.772 N/A CYS 157.A N ALA 228.A O no hydrogen 3.139 N/A CYS 157.A SG LYS 159.A O no hydrogen 3.243 N/A LEU 162.A N LYS 159.A O no hydrogen 2.967 N/A ILE 163.A N PRO 160.A O no hydrogen 2.890 N/A LYS 164.A N PRO 160.A O no hydrogen 3.340 N/A LEU 166.A N ILE 163.A O no hydrogen 2.977 N/A HIS 169.A N HIS 224.A O no hydrogen 3.466 N/A THR 170.A OG1 ASP 210.A OD1 no hydrogen 2.958 N/A GLY 174.A N ASN 241.A OD1 no hydrogen 2.639 N/A ILE 175.A N TYR 240.A O no hydrogen 3.120 N/A ILE 176.A N ASN 207.A O no hydrogen 3.056 N/A LEU 177.A N SER 238.A O no hydrogen 3.260 N/A LEU 178.A N VAL 205.A O no hydrogen 2.879 N/A PHE 179.A N LEU 236.A O no hydrogen 2.806 N/A GLN 180.A NE2 SER 185.A O no hydrogen 3.562 N/A GLN 180.A NE2 SER 235.A OG no hydrogen 3.411 N/A LEU 187.A N SER 185.A OG no hydrogen 3.023 N/A GLN 188.A N ARG 225.A O no hydrogen 2.775 N/A LEU 189.A N ILE 196.A O no hydrogen 2.966 N/A LYS 191.A N GLN 194.A O no hydrogen 2.922 N/A LYS 191.A NZ ASN 27.A O no hydrogen 2.558 N/A GLN 194.A N LYS 191.A O no hydrogen 3.173 N/A ILE 196.A N LEU 189.A O no hydrogen 2.849 N/A VAL 198.A N LEU 187.A O no hydrogen 2.980 N/A HIS 202.A NE2 ASP 43.A OD2 no hydrogen 2.859 N/A SER 203.A OG GLU 32.A OE2 no hydrogen 2.826 N/A ILE 204.A N LEU 33.A O no hydrogen 2.910 N/A VAL 205.A N LEU 178.A O no hydrogen 3.018 N/A VAL 206.A N PHE 31.A O no hydrogen 2.821 N/A ASN 207.A N ILE 176.A O no hydrogen 2.807 N/A ASN 207.A ND2 ASP 171.A OD2 no hydrogen 2.746 N/A ASN 207.A ND2 LEU 208.A O no hydrogen 3.613 N/A LEU 208.A N GLY 29.A O no hydrogen 3.186 N/A GLY 209.A N GLY 174.A O no hydrogen 2.720 N/A ASP 210.A N ASP 171.A O no hydrogen 2.876 N/A GLN 211.A N GLY 173.A O no hydrogen 3.131 N/A GLN 211.A NE2 ALA 172.A O no hydrogen 2.885 N/A GLU 213.A N GLY 209.A O no hydrogen 3.357 N/A VAL 214.A N ASP 210.A O no hydrogen 3.165 N/A ILE 215.A N GLN 211.A O no hydrogen 3.038 N/A THR 216.A N LEU 212.A O no hydrogen 3.175 N/A THR 216.A OG1 LEU 212.A O no hydrogen 2.678 N/A THR 216.A OG1 GLU 213.A O no hydrogen 3.176 N/A ASN 217.A N VAL 214.A O no hydrogen 2.737 N/A ASN 217.A ND2 GLN 256.A O no hydrogen 3.642 N/A GLY 218.A N GLU 213.A O no hydrogen 2.845 N/A LYS 219.A N THR 216.A O no hydrogen 2.968 N/A TYR 220.A N THR 216.A OG1 no hydrogen 3.196 N/A LYS 221.A NZ GLY 218.A O no hydrogen 3.204 N/A SER 222.A N GLU 213.A OE1 no hydrogen 3.181 N/A SER 222.A OG ASP 210.A OD1 no hydrogen 2.994 N/A HIS 224.A ND1 VAL 223.A O no hydrogen 2.865 N/A ARG 225.A N GLN 188.A O no hydrogen 3.009 N/A ILE 227.A N GLY 186.A O no hydrogen 3.042 N/A GLN 229.A NE2 ILE 227.A O no hydrogen 3.435 N/A ARG 234.A N ASP 181.A OD1 no hydrogen 2.928 N/A SER 235.A N SER 152.A O no hydrogen 3.030 N/A SER 235.A OG TYR 154.A OH no hydrogen 2.772 N/A LEU 236.A N PHE 179.A O no hydrogen 2.634 N/A ALA 237.A N LYS 150.A O no hydrogen 2.935 N/A SER 238.A N LEU 177.A O no hydrogen 2.972 N/A SER 238.A OG THR 149.A OG1 no hydrogen 2.569 N/A PHE 239.A N GLY 148.A O no hydrogen 2.719 N/A TYR 240.A N ILE 175.A O no hydrogen 3.028 N/A TYR 240.A OH GLU 118.A OE2 no hydrogen 2.868 N/A ASN 241.A N ASN 146.A O no hydrogen 2.941 N/A GLY 243.A N PHE 139.A O no hydrogen 2.852 N/A ALA 246.A N GLY 243.A O no hydrogen 2.964 N/A ILE 248.A N PHE 261.A O no hydrogen 2.732 N/A ALA 251.A N ILE 215.A O no hydrogen 3.016 N/A LEU 254.A N ALA 251.A O no hydrogen 2.914 N/A VAL 255.A N PRO 252.A O no hydrogen 3.178 N/A TYR 258.A N ASN 217.A OD1 no hydrogen 3.015 N/A TYR 258.A OH GLU 213.A OE2 no hydrogen 2.442 N/A PHE 261.A N ILE 248.A O no hydrogen 3.113 N/A PHE 263.A N ALA 246.A O no hydrogen 2.800 N/A ASP 264.A N SER 244.A O no hydrogen 2.991 N/A ASP 265.A N VAL 262.A O no hydrogen 3.006 N/A TYR 266.A N PHE 263.A O no hydrogen 2.747 N/A TYR 266.A OH ASP 210.A OD2 no hydrogen 2.453 N/A LEU 268.A N ASP 265.A O no hydrogen 3.199 N/A GLY 271.A N LEU 268.A O no hydrogen 3.470 N/A LEU 272.A N LYS 267.A O no hydrogen 2.971 N/A ARG 280.A N ALA 276.A O no hydrogen 3.493 N/A PHE 281.A N LYS 277.A O no hydrogen 3.150 N/A PHE 281.A N GLU 278.A O no hydrogen 3.262 N/A GLU 282.A N GLU 278.A O no hydrogen 3.111 N/A ALA 283.A N PRO 279.A O no hydrogen 3.022 N/A ALA 285.A N GLU 282.A O no hydrogen 3.025 N/A