Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3whi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N LEU 46.A O no hydrogen 2.626 N/A LYS 4.A NZ GLN 183.A OE1 no hydrogen 2.710 N/A TYR 5.A N ALA 44.A O no hydrogen 2.677 N/A ILE 6.A N GLU 64.A O no hydrogen 2.677 N/A VAL 7.A N ALA 42.A O no hydrogen 2.735 N/A GLY 8.A N TYR 62.A O no hydrogen 2.916 N/A PHE 9.A N ASN 40.A O no hydrogen 2.814 N/A LYS 10.A N SER 59.A O no hydrogen 3.105 N/A LYS 21.A N SER 17.A O no hydrogen 3.433 N/A LYS 22.A N SER 18.A O no hydrogen 3.176 N/A ASP 23.A N ALA 19.A O no hydrogen 3.140 N/A ASP 23.A N LYS 20.A O no hydrogen 2.993 N/A VAL 24.A N LYS 20.A O no hydrogen 3.006 N/A SER 26.A N LYS 22.A O no hydrogen 2.693 N/A SER 26.A OG LYS 22.A O no hydrogen 3.319 N/A GLU 27.A N ASP 23.A O no hydrogen 2.717 N/A LYS 28.A N ILE 25.A O no hydrogen 3.290 N/A GLY 29.A N SER 26.A O no hydrogen 2.569 N/A GLY 30.A N ILE 25.A O no hydrogen 2.867 N/A LYS 31.A N THR 45.A O no hydrogen 2.980 N/A GLN 33.A N ALA 43.A O no hydrogen 3.020 N/A GLN 33.A NE2 LYS 31.A O no hydrogen 3.136 N/A GLN 33.A NE2 THR 45.A OG1 no hydrogen 3.006 N/A GLN 35.A NE2 SER 18.A O no hydrogen 2.879 N/A PHE 36.A N ALA 41.A O no hydrogen 3.017 N/A LYS 37.A N GLU 192.A OE1 no hydrogen 2.706 N/A LYS 37.A NZ SER 196.A OG no hydrogen 3.261 N/A TYR 38.A N GLU 192.A OE2 no hydrogen 2.709 N/A TYR 38.A OH SER 196.A OG no hydrogen 3.129 N/A ASN 40.A ND2 ALA 15.A O no hydrogen 3.353 N/A ALA 41.A N VAL 39.A O no hydrogen 2.829 N/A ALA 42.A N VAL 7.A O no hydrogen 2.998 N/A ALA 43.A N LYS 34.A O no hydrogen 2.721 N/A ALA 44.A N TYR 5.A O no hydrogen 2.672 N/A THR 45.A N LYS 31.A O no hydrogen 2.775 N/A LEU 46.A N LYS 3.A O no hydrogen 3.020 N/A LYS 49.A N ASP 47.A OD1 no hydrogen 3.221 N/A ALA 50.A N ASP 47.A OD1 no hydrogen 3.422 N/A LYS 52.A NZ GLU 48.A O no hydrogen 2.879 N/A LEU 54.A N ALA 50.A O no hydrogen 2.688 N/A LYS 55.A N VAL 51.A O no hydrogen 2.759 N/A LYS 56.A N LYS 52.A O no hydrogen 3.154 N/A LYS 56.A NZ GLU 53.A OE1 no hydrogen 3.049 N/A LYS 56.A NZ GLU 53.A OE2 no hydrogen 2.456 N/A ASP 57.A N GLU 53.A O no hydrogen 3.086 N/A ASP 57.A N LEU 54.A O no hydrogen 3.023 N/A SER 59.A N ASP 57.A OD1 no hydrogen 2.709 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 2.653 N/A VAL 60.A N ASP 57.A O no hydrogen 2.952 N/A ALA 61.A N GLY 8.A O no hydrogen 2.840 N/A TYR 62.A N GLY 8.A O no hydrogen 3.340 N/A GLU 64.A N ILE 6.A O no hydrogen 2.883 N/A ASP 66.A N LYS 4.A O no hydrogen 2.669 N/A ALA 69.A N GLY 182.A O no hydrogen 2.773 N/A HIS 70.A N GLY 207.A O no hydrogen 2.864 N/A GLU 71.A N GLY 180.A O no hydrogen 2.964 N/A TYR 72.A N SER 205.A O no hydrogen 3.118 N/A LYS 74.A N ASN 298.A O no hydrogen 2.777 N/A SER 76.A N ALA 296.A O no hydrogen 2.934 N/A TRP 77.A N ALA 296.A O no hydrogen 3.196 N/A GLN 82.A N SER 158.A O no hydrogen 2.917 N/A SER 83.A N GLY 160.A O no hydrogen 2.915 N/A ILE 88.A N PRO 85.A O no hydrogen 3.161 N/A SER 89.A OG TYR 86.A O no hydrogen 3.075 N/A GLN 90.A N TYR 86.A O no hydrogen 2.844 N/A GLN 90.A NE2 ASN 261.A O no hydrogen 2.958 N/A GLN 90.A NE2 ASN 264.A OD1 no hydrogen 2.901 N/A ILE 91.A N GLY 87.A O no hydrogen 3.135 N/A LYS 92.A N SER 89.A O no hydrogen 2.832 N/A ALA 93.A N ILE 88.A O no hydrogen 3.199 N/A LEU 96.A N ALA 93.A O no hydrogen 2.656 N/A HIS 97.A N ALA 93.A O no hydrogen 3.044 N/A SER 98.A N PRO 94.A O no hydrogen 2.986 N/A SER 98.A OG PRO 94.A O no hydrogen 3.259 N/A GLN 99.A N LEU 96.A O no hydrogen 3.137 N/A GLN 99.A NE2 ALA 95.A O no hydrogen 2.742 N/A GLY 100.A N HIS 97.A O no hydrogen 2.801 N/A TYR 101.A N LEU 96.A O no hydrogen 3.121 N/A THR 102.A OG1 SER 167.A OG no hydrogen 2.326 N/A GLY 103.A N SER 316.A OG no hydrogen 3.119 N/A SER 104.A OG SER 167.A OG no hydrogen 3.139 N/A VAL 106.A N GLY 103.A O no hydrogen 3.213 N/A LYS 107.A N ASP 200.A OD2 no hydrogen 2.711 N/A VAL 108.A N SER 169.A O no hydrogen 2.908 N/A ALA 109.A N VAL 201.A O no hydrogen 2.880 N/A VAL 110.A N TYR 171.A O no hydrogen 2.873 N/A ILE 111.A N ASN 203.A O no hydrogen 2.855 N/A ASP 112.A N VAL 173.A O no hydrogen 3.063 N/A SER 113.A N ASP 112.A OD2 no hydrogen 2.748 N/A SER 113.A OG ASP 112.A OD2 no hydrogen 3.390 N/A SER 113.A OG ASP 140.A OD1 no hydrogen 2.663 N/A SER 113.A OG SER 142.A OG no hydrogen 3.310 N/A ILE 115.A N PRO 137.A O no hydrogen 3.189 N/A ASP 116.A N THR 146.A OG1 no hydrogen 3.045 N/A SER 118.A N ASP 116.A OD1 no hydrogen 3.183 N/A SER 118.A OG ASP 116.A OD1 no hydrogen 2.641 N/A SER 118.A OG ASP 116.A OD2 no hydrogen 3.425 N/A HIS 119.A N ASP 116.A O no hydrogen 3.195 N/A HIS 119.A NE2 THR 293.A O no hydrogen 2.871 N/A ASP 121.A N HIS 119.A ND1 no hydrogen 2.857 N/A LEU 122.A N HIS 119.A O no hydrogen 3.071 N/A ARG 125.A N LEU 170.A O no hydrogen 2.924 N/A ALA 128.A N ALA 172.A O no hydrogen 2.972 N/A SER 129.A OG GLU 134.A O no hydrogen 2.640 N/A PHE 130.A N LYS 174.A O no hydrogen 2.828 N/A VAL 131.A N SER 129.A OG no hydrogen 3.407 N/A GLU 134.A N VAL 131.A O no hydrogen 3.118 N/A ASN 136.A ND2 GLN 139.A OE1 no hydrogen 3.201 N/A TYR 138.A N ASN 136.A OD1 no hydrogen 2.668 N/A GLN 139.A N ASN 136.A O no hydrogen 3.058 N/A SER 142.A OG GLU 71.A OE2 no hydrogen 2.650 N/A SER 143.A N ASP 140.A OD1 no hydrogen 2.893 N/A HIS 144.A N SER 142.A OG no hydrogen 3.379 N/A HIS 144.A ND1 ASP 112.A OD1 no hydrogen 3.109 N/A HIS 144.A ND1 ASP 112.A OD2 no hydrogen 2.793 N/A GLY 145.A N SER 113.A OG no hydrogen 2.717 N/A THR 146.A N ASP 140.A OD2 no hydrogen 2.649 N/A THR 146.A OG1 ASP 140.A OD2 no hydrogen 2.317 N/A HIS 147.A N HIS 144.A O no hydrogen 3.029 N/A HIS 147.A NE2 GLY 295.A O no hydrogen 2.893 N/A VAL 148.A N HIS 144.A O no hydrogen 3.050 N/A ALA 149.A N GLY 145.A O no hydrogen 2.597 N/A GLY 150.A N THR 146.A O no hydrogen 3.089 N/A THR 151.A N HIS 147.A O no hydrogen 3.174 N/A THR 151.A OG1 HIS 147.A O no hydrogen 3.565 N/A ILE 152.A N VAL 148.A O no hydrogen 3.337 N/A ALA 153.A N ALA 149.A O no hydrogen 2.801 N/A ALA 154.A N GLY 150.A O no hydrogen 2.925 N/A LEU 155.A N ASP 121.A O no hydrogen 2.629 N/A ASN 157.A N GLN 82.A OE1 no hydrogen 3.193 N/A ASN 157.A ND2 ASP 121.A OD1 no hydrogen 3.019 N/A ILE 159.A N ASN 157.A OD1 no hydrogen 3.423 N/A GLY 160.A N PRO 80.A O no hydrogen 2.954 N/A VAL 161.A N ASP 121.A OD2 no hydrogen 2.798 N/A GLY 163.A N ALA 154.A O no hydrogen 2.918 N/A VAL 164.A N THR 151.A O no hydrogen 2.567 N/A SER 165.A N ILE 152.A O no hydrogen 2.728 N/A SER 165.A OG ILE 152.A O no hydrogen 3.044 N/A SER 167.A N THR 102.A O no hydrogen 2.940 N/A SER 167.A OG THR 102.A O no hydrogen 3.351 N/A SER 167.A OG SER 104.A OG no hydrogen 3.139 N/A ALA 168.A N SER 165.A O no hydrogen 3.001 N/A SER 169.A N VAL 106.A O no hydrogen 2.779 N/A TYR 171.A N VAL 108.A O no hydrogen 2.814 N/A ALA 172.A N GLY 126.A O no hydrogen 2.945 N/A VAL 173.A N VAL 110.A O no hydrogen 2.831 N/A LYS 174.A N ALA 128.A O no hydrogen 2.787 N/A LYS 174.A NZ ASN 136.A O no hydrogen 3.185 N/A LYS 174.A NZ GLN 139.A O no hydrogen 2.787 N/A VAL 175.A N ASP 112.A O no hydrogen 2.709 N/A LEU 176.A N ASP 112.A O no hydrogen 3.152 N/A ASP 177.A N SER 181.A O no hydrogen 2.822 N/A SER 178.A N GLU 134.A OE1 no hydrogen 2.533 N/A SER 178.A OG GLU 134.A OE1 no hydrogen 3.438 N/A THR 179.A N ASP 177.A OD1 no hydrogen 2.943 N/A THR 179.A OG1 ASP 177.A OD1 no hydrogen 2.517 N/A GLY 180.A N ASP 177.A O no hydrogen 2.779 N/A GLY 182.A N ALA 69.A O no hydrogen 2.946 N/A GLN 183.A NE2 ASP 66.A OD2 no hydrogen 3.445 N/A TYR 184.A N HIS 67.A O no hydrogen 2.693 N/A TYR 184.A OH THR 210.A O no hydrogen 2.690 N/A SER 185.A N ASP 66.A OD1 no hydrogen 2.848 N/A SER 185.A OG ASP 66.A OD2 no hydrogen 2.458 N/A TRP 186.A N GLN 183.A O no hydrogen 2.863 N/A ILE 187.A N GLN 183.A O no hydrogen 3.210 N/A ILE 188.A N TYR 184.A O no hydrogen 2.888 N/A ASN 189.A N SER 185.A O no hydrogen 3.142 N/A GLY 190.A N TRP 186.A O no hydrogen 2.863 N/A ILE 191.A N ILE 187.A O no hydrogen 2.755 N/A GLU 192.A N ILE 188.A O no hydrogen 2.809 N/A TRP 193.A N ASN 189.A O no hydrogen 2.866 N/A ALA 194.A N GLY 190.A O no hydrogen 3.050 N/A ALA 194.A N ILE 191.A O no hydrogen 2.724 N/A ILE 195.A N ILE 191.A O no hydrogen 2.976 N/A SER 196.A N GLU 192.A O no hydrogen 2.960 N/A SER 196.A OG TYR 38.A OH no hydrogen 3.129 N/A SER 196.A OG GLU 192.A O no hydrogen 3.151 N/A ASN 197.A N ALA 194.A O no hydrogen 3.336 N/A ASN 197.A ND2 TRP 193.A O no hydrogen 2.717 N/A ASN 198.A N ILE 195.A O no hydrogen 3.115 N/A MET 199.A N ALA 194.A O no hydrogen 3.044 N/A ASP 200.A N LYS 107.A O no hydrogen 2.741 N/A VAL 201.A N LYS 107.A O no hydrogen 2.967 N/A ILE 202.A N VAL 228.A O no hydrogen 2.800 N/A ASN 203.A N ALA 109.A O no hydrogen 2.848 N/A ASN 203.A ND2 SER 205.A OG no hydrogen 2.998 N/A MET 204.A N ALA 230.A O no hydrogen 2.929 N/A SER 205.A OG ALA 301.A O no hydrogen 2.590 N/A GLY 207.A N HIS 70.A O no hydrogen 3.112 N/A GLY 208.A N TYR 247.A O no hydrogen 2.905 N/A SER 212.A N TYR 251.A OH no hydrogen 3.006 N/A SER 212.A OG GLU 64.A OE2 no hydrogen 2.889 N/A THR 213.A N GLU 64.A OE1 no hydrogen 3.077 N/A THR 213.A N GLU 64.A OE2 no hydrogen 2.762 N/A THR 213.A OG1 GLU 64.A OE1 no hydrogen 3.423 N/A ALA 214.A N GLU 64.A OE2 no hydrogen 3.382 N/A LEU 215.A N SER 212.A OG no hydrogen 3.103 N/A LYS 216.A N SER 212.A O no hydrogen 3.136 N/A LYS 216.A NZ ASP 220.A OD2 no hydrogen 2.999 N/A THR 217.A N THR 213.A O no hydrogen 3.156 N/A THR 217.A OG1 THR 213.A O no hydrogen 2.768 N/A VAL 218.A N ALA 214.A O no hydrogen 3.219 N/A VAL 219.A N LEU 215.A O no hydrogen 3.027 N/A ASP 220.A N LYS 216.A O no hydrogen 2.756 N/A LYS 221.A N THR 217.A O no hydrogen 2.698 N/A ALA 222.A N VAL 218.A O no hydrogen 2.997 N/A VAL 223.A N VAL 219.A O no hydrogen 3.224 N/A SER 224.A N ASP 220.A O no hydrogen 2.828 N/A SER 225.A N LYS 221.A O no hydrogen 2.840 N/A SER 225.A OG LYS 221.A O no hydrogen 2.950 N/A GLY 226.A N VAL 223.A O no hydrogen 2.737 N/A ILE 227.A N ALA 222.A O no hydrogen 2.958 N/A VAL 228.A N ASP 200.A O no hydrogen 3.092 N/A ALA 230.A N ILE 202.A O no hydrogen 2.858 N/A ALA 231.A N ILE 255.A O no hydrogen 2.910 N/A ALA 232.A N MET 204.A O no hydrogen 2.924 N/A ALA 233.A N VAL 257.A O no hydrogen 2.763 N/A GLY 234.A N THR 300.A OG1 no hydrogen 3.066 N/A GLU 236.A N SER 271.A OG no hydrogen 3.181 N/A GLY 237.A N PHE 269.A O no hydrogen 2.917 N/A THR 242.A N SER 239.A O no hydrogen 2.986 N/A SER 243.A OG GLU 275.A OE1 no hydrogen 2.734 N/A THR 244.A N ALA 272.A O no hydrogen 2.725 N/A THR 244.A OG1 GLY 237.A O no hydrogen 2.684 N/A THR 244.A OG1 ALA 272.A O no hydrogen 3.401 N/A GLY 246.A N ALA 233.A O no hydrogen 2.717 N/A TYR 247.A N GLY 208.A O no hydrogen 2.749 N/A LYS 250.A N GLY 246.A O no hydrogen 2.650 N/A LYS 250.A NZ TYR 247.A OH no hydrogen 3.050 N/A TYR 251.A N PRO 248.A O no hydrogen 2.761 N/A SER 253.A OG ASP 220.A OD1 no hydrogen 2.682 N/A THR 254.A N TYR 251.A O no hydrogen 3.238 N/A THR 254.A OG1 PRO 248.A O no hydrogen 3.451 N/A THR 254.A OG1 TYR 251.A O no hydrogen 3.190 N/A ILE 255.A N VAL 229.A O no hydrogen 2.836 N/A ALA 256.A N ASP 277.A OD2 no hydrogen 2.568 N/A VAL 257.A N ALA 231.A O no hydrogen 2.848 N/A GLY 258.A N VAL 278.A O no hydrogen 3.049 N/A ALA 259.A N SER 270.A OG no hydrogen 3.089 N/A VAL 260.A N ALA 280.A O no hydrogen 2.910 N/A ASN 261.A N GLN 265.A O no hydrogen 2.977 N/A SER 263.A N ASN 261.A OD1 no hydrogen 2.904 N/A ASN 264.A N ASN 261.A O no hydrogen 2.836 N/A GLN 265.A N ASN 261.A OD1 no hydrogen 2.685 N/A ARG 266.A N TYR 343.A OH no hydrogen 3.426 N/A ARG 266.A NE SER 270.A O no hydrogen 2.992 N/A ARG 266.A NH2 SER 270.A O no hydrogen 2.988 N/A ALA 267.A N ALA 259.A O no hydrogen 2.843 N/A SER 271.A N GLY 234.A O no hydrogen 2.959 N/A SER 271.A OG THR 244.A O no hydrogen 2.952 N/A ALA 272.A N THR 244.A OG1 no hydrogen 2.934 N/A GLY 273.A N PHE 341.A O no hydrogen 2.941 N/A GLU 275.A N GLU 275.A OE1 no hydrogen 2.662 N/A LEU 276.A N GLY 273.A O no hydrogen 3.274 N/A ASP 277.A N ALA 256.A O no hydrogen 3.222 N/A VAL 278.A N ALA 256.A O no hydrogen 3.307 N/A MET 279.A N GLY 346.A O no hydrogen 2.823 N/A ALA 280.A N GLY 258.A O no hydrogen 2.971 N/A GLY 282.A N VAL 260.A O no hydrogen 3.013 N/A SER 284.A N ASN 298.A OD1 no hydrogen 2.559 N/A ILE 285.A N TYR 297.A O no hydrogen 2.804 N/A SER 287.A N GLY 295.A O no hydrogen 2.760 N/A SER 287.A OG HIS 147.A O no hydrogen 2.663 N/A SER 287.A OG THR 288.A OG1 no hydrogen 3.268 N/A THR 288.A OG1 THR 146.A O no hydrogen 2.761 N/A THR 288.A OG1 SER 287.A OG no hydrogen 3.268 N/A LEU 289.A N THR 293.A O no hydrogen 3.062 N/A GLY 291.A N ASP 116.A OD2 no hydrogen 3.108 N/A GLY 295.A N SER 287.A O no hydrogen 2.955 N/A ALA 296.A N TRP 77.A O no hydrogen 2.863 N/A TYR 297.A N ILE 285.A O no hydrogen 2.894 N/A ASN 298.A N LYS 74.A O no hydrogen 2.775 N/A GLY 299.A N GLY 282.A O no hydrogen 2.807 N/A ALA 301.A N TYR 72.A O no hydrogen 2.948 N/A MET 302.A N GLY 299.A O no hydrogen 2.952 N/A ALA 303.A N GLY 299.A O no hydrogen 3.351 N/A THR 304.A N THR 300.A O no hydrogen 3.135 N/A THR 304.A OG1 THR 300.A O no hydrogen 2.849 N/A HIS 306.A N ALA 303.A O no hydrogen 2.862 N/A HIS 306.A ND1 MET 302.A O no hydrogen 2.827 N/A ALA 308.A N THR 304.A O no hydrogen 2.881 N/A GLY 309.A N PRO 305.A O no hydrogen 2.969 N/A ALA 310.A N HIS 306.A O no hydrogen 2.830 N/A ALA 311.A N VAL 307.A O no hydrogen 2.911 N/A ALA 312.A N ALA 308.A O no hydrogen 3.191 N/A LEU 313.A N GLY 309.A O no hydrogen 2.794 N/A ILE 314.A N ALA 310.A O no hydrogen 2.907 N/A LEU 315.A N ALA 311.A O no hydrogen 2.864 N/A SER 316.A N ALA 312.A O no hydrogen 2.960 N/A SER 316.A N LEU 313.A O no hydrogen 2.969 N/A SER 316.A OG LEU 313.A O no hydrogen 2.962 N/A LYS 317.A N LEU 313.A O no hydrogen 3.113 N/A LYS 317.A NZ GLN 99.A OE1 no hydrogen 2.822 N/A LYS 317.A NZ ALA 354.A O no hydrogen 3.109 N/A HIS 318.A N ILE 314.A O no hydrogen 2.684 N/A TRP 321.A N HIS 318.A O no hydrogen 3.086 N/A ASN 323.A ND2 VAL 223.A O no hydrogen 2.788 N/A ASN 323.A ND2 ILE 227.A O no hydrogen 2.985 N/A VAL 326.A N THR 322.A O no hydrogen 3.143 N/A ARG 327.A N ASN 323.A O no hydrogen 2.713 N/A ARG 327.A NE GLU 331.A OE2 no hydrogen 2.619 N/A ARG 327.A NH1 PRO 252.A O no hydrogen 2.869 N/A ARG 327.A NH2 GLU 331.A OE2 no hydrogen 2.856 N/A ASP 328.A N ALA 324.A O no hydrogen 2.842 N/A ARG 329.A N GLN 325.A O no hydrogen 2.772 N/A LEU 330.A N VAL 326.A O no hydrogen 2.982 N/A GLU 331.A N ARG 327.A O no hydrogen 2.961 N/A SER 332.A N ASP 328.A O no hydrogen 2.778 N/A SER 332.A OG ASP 328.A O no hydrogen 2.973 N/A THR 333.A N ARG 329.A O no hydrogen 3.149 N/A THR 333.A OG1 ARG 329.A O no hydrogen 2.585 N/A ALA 334.A N GLU 331.A O no hydrogen 3.262 N/A THR 335.A N LEU 347.A O no hydrogen 2.781 N/A PHE 341.A N ASN 339.A OD1 no hydrogen 3.057 N/A TYR 342.A N ASN 339.A O no hydrogen 2.727 N/A GLY 344.A N SER 340.A O no hydrogen 3.046 N/A LYS 345.A N ASP 277.A O no hydrogen 3.096 N/A GLY 346.A N TYR 343.A O no hydrogen 2.779 N/A LEU 347.A N THR 335.A O no hydrogen 3.063 N/A ILE 348.A N MET 279.A O no hydrogen 3.278 N/A VAL 350.A N ILE 91.A O no hydrogen 2.942 N/A ALA 352.A N ASN 349.A OD1 no hydrogen 2.606 N/A ALA 353.A N ASN 349.A O no hydrogen 2.710 N/A ALA 354.A N VAL 350.A O no hydrogen 2.706 N/A GLN 355.A N ALA 352.A O no hydrogen 3.249 N/A