Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3to4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N CYS 97.A O no hydrogen 2.837 N/A ARG 4.A N TRP 24.A O no hydrogen 2.995 N/A CYS 5.A N ALA 95.A O no hydrogen 2.648 N/A LEU 6.A N VAL 22.A O no hydrogen 2.817 N/A GLN 7.A N LEU 93.A O no hydrogen 2.814 N/A GLN 7.A NE2 SER 9.A OG no hydrogen 2.732 N/A MET 8.A N ASP 20.A O no hydrogen 2.878 N/A SER 9.A N ILE 91.A O no hydrogen 2.843 N/A SER 9.A OG THR 19.A OG1 no hydrogen 3.383 N/A SER 10.A N ARG 18.A O no hydrogen 3.007 N/A SER 10.A OG GLU 90.A OE1 no hydrogen 2.772 N/A SER 10.A OG GLU 90.A OE2 no hydrogen 3.294 N/A PHE 11.A N ILE 89.A O no hydrogen 2.785 N/A ALA 12.A N TRP 16.A O no hydrogen 3.137 N/A ARG 14.A NH1 GLU 85.A OE2 no hydrogen 2.653 N/A SER 15.A N ASN 13.A OD1 no hydrogen 3.136 N/A SER 15.A OG ASN 13.A OD1 no hydrogen 3.075 N/A TRP 16.A N ASN 13.A OD1 no hydrogen 2.837 N/A ARG 18.A N SER 10.A O no hydrogen 3.175 N/A ARG 18.A NE ASP 20.A OD1 no hydrogen 2.747 N/A ARG 18.A NH2 ASP 20.A OD1 no hydrogen 3.511 N/A ARG 18.A NH2 ASP 20.A OD2 no hydrogen 2.883 N/A ARG 18.A NH2 ASP 36.A OD1 no hydrogen 3.445 N/A THR 19.A N ASN 35.A OD1 no hydrogen 2.888 N/A THR 19.A OG1 SER 9.A OG no hydrogen 3.383 N/A ASP 20.A N MET 8.A O no hydrogen 2.958 N/A SER 21.A N TRP 33.A O no hydrogen 2.876 N/A VAL 22.A N LEU 6.A O no hydrogen 3.129 N/A VAL 23.A N HIS 31.A O no hydrogen 3.105 N/A TRP 24.A N ARG 4.A O no hydrogen 2.854 N/A LEU 25.A N LEU 28.A O no hydrogen 2.847 N/A GLY 26.A N THR 2.A O no hydrogen 3.401 N/A LEU 28.A N LEU 25.A O no hydrogen 3.183 N/A GLN 29.A N GLU 233.A OE2 no hydrogen 3.073 N/A GLN 29.A NE2 HIS 31.A O no hydrogen 3.453 N/A THR 30.A N VAL 23.A O no hydrogen 2.748 N/A THR 30.A OG1 VAL 23.A O no hydrogen 3.159 N/A THR 30.A OG1 HIS 31.A ND1 no hydrogen 2.733 N/A HIS 31.A NE2 SER 47.A O no hydrogen 2.809 N/A ARG 32.A N SER 41.A O no hydrogen 3.135 N/A TRP 33.A N SER 21.A O no hydrogen 2.772 N/A ASN 35.A N ASP 20.A OD2 no hydrogen 3.089 N/A ASP 36.A N SER 34.A OG no hydrogen 3.199 N/A SER 37.A N SER 34.A O no hydrogen 3.137 N/A SER 37.A OG THR 39.A O no hydrogen 3.001 N/A THR 39.A N SER 37.A OG no hydrogen 3.352 N/A ILE 40.A N GLN 60.A OE1 no hydrogen 2.739 N/A SER 41.A N ARG 32.A O no hydrogen 2.997 N/A THR 43.A N THR 30.A O no hydrogen 2.983 N/A THR 43.A OG1 GLN 29.A O no hydrogen 3.097 N/A LYS 44.A N SER 47.A OG no hydrogen 3.089 N/A LYS 44.A NZ GLN 29.A O no hydrogen 3.161 N/A LYS 44.A NZ GLU 233.A OE1 no hydrogen 2.806 N/A LYS 44.A NZ GLU 233.A OE2 no hydrogen 3.098 N/A TRP 46.A NE1 ASP 172.A OD2 no hydrogen 2.716 N/A SER 47.A OG THR 30.A O no hydrogen 2.670 N/A SER 47.A OG LYS 44.A O no hydrogen 3.087 N/A GLN 48.A NE2 LEU 51.A O no hydrogen 3.422 N/A GLN 48.A NE2 ASN 53.A OD1 no hydrogen 2.821 N/A GLY 49.A N TRP 46.A O no hydrogen 2.970 N/A SER 52.A OG GLN 55.A OE1 no hydrogen 2.931 N/A TRP 56.A N SER 52.A O no hydrogen 2.982 N/A GLU 57.A N ASN 53.A O no hydrogen 2.914 N/A LYS 58.A N GLN 54.A O no hydrogen 3.136 N/A LEU 59.A N GLN 55.A O no hydrogen 3.413 N/A GLN 60.A N TRP 56.A O no hydrogen 2.886 N/A HIS 61.A N GLU 57.A O no hydrogen 2.963 N/A MET 62.A N LYS 58.A O no hydrogen 2.974 N/A PHE 63.A N LEU 59.A O no hydrogen 2.924 N/A GLN 64.A N GLN 60.A O no hydrogen 2.800 N/A GLN 64.A NE2 ALA 38.A O no hydrogen 3.233 N/A VAL 65.A N HIS 61.A O no hydrogen 3.131 N/A TYR 66.A N MET 62.A O no hydrogen 3.351 N/A TYR 66.A OH GLN 7.A OE1 no hydrogen 2.708 N/A ARG 67.A N PHE 63.A O no hydrogen 2.932 N/A ARG 67.A NH1 SER 34.A O no hydrogen 2.931 N/A ARG 67.A NH1 SER 37.A O no hydrogen 3.181 N/A ARG 67.A NH2 SER 37.A O no hydrogen 3.131 N/A SER 69.A N VAL 65.A O no hydrogen 2.910 N/A SER 69.A OG VAL 65.A O no hydrogen 2.882 N/A PHE 70.A N TYR 66.A O no hydrogen 2.747 N/A THR 71.A N ARG 67.A O no hydrogen 3.413 N/A THR 71.A OG1 ARG 67.A O no hydrogen 2.877 N/A ARG 72.A N VAL 68.A O no hydrogen 3.366 N/A ASP 73.A N SER 69.A O no hydrogen 2.877 N/A ILE 74.A N PHE 70.A O no hydrogen 2.904 N/A GLN 75.A N THR 71.A O no hydrogen 3.404 N/A GLN 75.A NE2 ASN 13.A O no hydrogen 3.377 N/A GLU 76.A N ASP 73.A O no hydrogen 3.207 N/A LEU 77.A N ASP 73.A O no hydrogen 3.073 N/A VAL 78.A N ILE 74.A O no hydrogen 2.867 N/A LYS 79.A N GLU 76.A O no hydrogen 3.327 N/A MET 80.A N LEU 77.A O no hydrogen 2.714 N/A GLU 85.A N VAL 78.A O no hydrogen 3.308 N/A ILE 89.A N PHE 11.A O no hydrogen 2.857 N/A ILE 91.A N SER 9.A O no hydrogen 2.826 N/A GLN 92.A N ALA 109.A O no hydrogen 2.998 N/A LEU 93.A N GLN 7.A O no hydrogen 3.014 N/A SER 94.A N HIS 107.A O no hydrogen 2.902 N/A ALA 95.A N CYS 5.A O no hydrogen 2.939 N/A GLY 96.A N PHE 105.A O no hydrogen 3.059 N/A CYS 97.A N PHE 3.A O no hydrogen 2.933 N/A GLU 98.A N GLU 103.A O no hydrogen 3.051 N/A MET 99.A N TYR 1.A O no hydrogen 2.802 N/A GLU 103.A N GLU 98.A O no hydrogen 3.303 N/A SER 104.A OG LEU 154.A O no hydrogen 2.625 N/A PHE 105.A N GLY 96.A O no hydrogen 2.817 N/A HIS 107.A N SER 94.A O no hydrogen 2.834 N/A HIS 107.A ND1 TYR 114.A OH no hydrogen 2.894 N/A VAL 108.A N VAL 116.A O no hydrogen 2.781 N/A ALA 109.A N GLN 92.A O no hydrogen 2.818 N/A PHE 110.A N LYS 113.A O no hydrogen 2.953 N/A GLN 111.A N GLU 90.A O no hydrogen 3.074 N/A LYS 113.A N PHE 110.A O no hydrogen 3.133 N/A TYR 114.A OH HIS 107.A ND1 no hydrogen 2.894 N/A VAL 115.A N VAL 108.A O no hydrogen 2.885 N/A VAL 116.A N VAL 108.A O no hydrogen 3.313 N/A ARG 117.A N GLN 124.A O no hydrogen 2.921 N/A PHE 118.A N LEU 106.A O no hydrogen 3.058 N/A TRP 119.A N SER 122.A O no hydrogen 3.026 N/A SER 122.A N TRP 119.A O no hydrogen 3.326 N/A TRP 123.A N ASN 141.A OD1 no hydrogen 2.720 N/A GLN 124.A N ARG 117.A O no hydrogen 2.931 N/A VAL 126.A N VAL 115.A O no hydrogen 2.843 N/A ALA 129.A N VAL 126.A O no hydrogen 3.034 N/A LEU 133.A N PRO 130.A O no hydrogen 3.295 N/A ASP 134.A N SER 131.A O no hydrogen 3.318 N/A ILE 137.A N LEU 133.A O no hydrogen 3.059 N/A LYS 138.A N ASP 134.A O no hydrogen 3.244 N/A VAL 139.A N LEU 135.A O no hydrogen 3.425 N/A LEU 140.A N PRO 136.A O no hydrogen 3.131 N/A ASN 141.A N ILE 137.A O no hydrogen 2.961 N/A ASN 141.A ND2 TRP 123.A O no hydrogen 3.188 N/A ALA 142.A N LYS 138.A O no hydrogen 3.174 N/A ALA 142.A N VAL 139.A O no hydrogen 3.315 N/A ASP 143.A N LEU 140.A O no hydrogen 3.162 N/A THR 146.A N ASP 143.A OD1 no hydrogen 3.220 N/A THR 146.A OG1 ASP 143.A OD2 no hydrogen 2.775 N/A SER 147.A N ASP 143.A O no hydrogen 3.128 N/A SER 147.A OG THR 121.A O no hydrogen 2.707 N/A ALA 148.A N GLN 144.A O no hydrogen 2.809 N/A THR 149.A N GLY 145.A O no hydrogen 3.290 N/A THR 149.A OG1 GLY 145.A O no hydrogen 3.347 N/A THR 149.A OG1 THR 146.A O no hydrogen 3.204 N/A VAL 150.A N THR 146.A O no hydrogen 2.963 N/A GLN 151.A N SER 147.A O no hydrogen 3.165 N/A GLN 151.A NE2 SER 147.A O no hydrogen 3.489 N/A GLN 151.A NE2 SER 147.A OG no hydrogen 3.308 N/A MET 152.A N ALA 148.A O no hydrogen 3.180 N/A LEU 153.A N THR 149.A O no hydrogen 2.848 N/A LEU 154.A N VAL 150.A O no hydrogen 2.854 N/A ASN 155.A N GLN 151.A O no hydrogen 2.813 N/A ASP 156.A N MET 152.A O no hydrogen 2.980 N/A THR 157.A N MET 152.A O no hydrogen 2.924 N/A THR 157.A OG1 MET 152.A O no hydrogen 2.791 N/A CYS 158.A N LEU 153.A O no hydrogen 2.725 N/A PHE 161.A N THR 157.A O no hydrogen 3.098 N/A VAL 162.A N CYS 158.A O no hydrogen 2.989 N/A ARG 163.A N PRO 159.A O no hydrogen 3.025 N/A GLY 164.A N LEU 160.A O no hydrogen 3.195 N/A LEU 165.A N PHE 161.A O no hydrogen 2.877 N/A LEU 166.A N VAL 162.A O no hydrogen 2.726 N/A GLU 167.A N ARG 163.A O no hydrogen 3.415 N/A ALA 168.A N GLY 164.A O no hydrogen 3.014 N/A LEU 173.A N GLY 169.A O no hydrogen 2.922 N/A GLU 177.A N TYR 204.A O no hydrogen 2.923 N/A VAL 180.A N SER 201.A O no hydrogen 2.761 N/A TRP 182.A N HIS 199.A O no hydrogen 2.953 N/A SER 184.A N VAL 197.A O no hydrogen 2.844 N/A SER 184.A OG HIS 199.A NE2 no hydrogen 2.859 N/A VAL 186.A N GLN 195.A O no hydrogen 2.948 N/A SER 188.A N HIS 193.A O no hydrogen 3.020 N/A SER 188.A OG ALA 190.A O no hydrogen 3.432 N/A SER 188.A OG ASP 242.A OD2 no hydrogen 2.976 N/A ALA 190.A N SER 188.A OG no hydrogen 2.955 N/A HIS 193.A N ALA 190.A O no hydrogen 3.179 N/A HIS 193.A ND1 HIS 191.A O no hydrogen 2.955 N/A ARG 194.A N VAL 243.A O no hydrogen 2.840 N/A ARG 194.A NH1 SER 185.A OG no hydrogen 2.715 N/A GLN 195.A N VAL 186.A O no hydrogen 2.628 N/A LEU 196.A N LEU 241.A O no hydrogen 2.870 N/A VAL 197.A N SER 184.A O no hydrogen 2.827 N/A CYS 198.A N ALA 239.A O no hydrogen 2.983 N/A HIS 199.A N TRP 182.A O no hydrogen 2.919 N/A HIS 199.A ND1 TYR 236.A OH no hydrogen 2.743 N/A HIS 199.A NE2 SER 184.A OG no hydrogen 2.859 N/A VAL 200.A N LEU 237.A O no hydrogen 2.763 N/A SER 201.A N VAL 180.A O no hydrogen 2.744 N/A GLY 202.A N TRP 235.A O no hydrogen 3.014 N/A TYR 204.A N GLU 177.A O no hydrogen 3.414 N/A TYR 204.A OH ASP 172.A O no hydrogen 3.272 N/A TRP 209.A N LYS 256.A O no hydrogen 3.091 N/A MET 211.A N ARG 254.A O no hydrogen 3.077 N/A TRP 212.A N THR 222.A OG1 no hydrogen 3.342 N/A TRP 212.A NE1 ALA 239.A O no hydrogen 3.046 N/A MET 213.A N ALA 252.A O no hydrogen 2.765 N/A ARG 214.A N GLN 217.A O no hydrogen 2.764 N/A ARG 214.A NH1 GLU 247.A O no hydrogen 3.438 N/A ARG 214.A NH2 GLU 247.A O no hydrogen 2.624 N/A ARG 214.A NH2 ALA 249.A O no hydrogen 2.681 N/A GLN 217.A N ARG 214.A O no hydrogen 3.183 N/A GLN 219.A N TRP 212.A O no hydrogen 2.761 N/A THR 222.A N GLN 219.A O no hydrogen 2.975 N/A THR 222.A OG1 GLN 219.A O no hydrogen 2.535 N/A HIS 223.A N THR 240.A O no hydrogen 2.873 N/A ARG 224.A NH2 VAL 208.A O no hydrogen 3.037 N/A GLY 225.A N GLN 238.A O no hydrogen 2.688 N/A LEU 228.A N TYR 236.A O no hydrogen 2.910 N/A ASN 230.A N THR 234.A O no hydrogen 2.974 N/A ASN 230.A ND2 THR 234.A OG1 no hydrogen 3.385 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 3.264 N/A THR 234.A OG1 ASP 232.A OD2 no hydrogen 2.807 N/A TRP 235.A N PHE 203.A O no hydrogen 3.011 N/A TYR 236.A N LEU 228.A O no hydrogen 2.787 N/A TYR 236.A OH HIS 199.A ND1 no hydrogen 2.743 N/A TYR 236.A OH GLN 238.A OE1 no hydrogen 3.061 N/A LEU 237.A N VAL 200.A O no hydrogen 2.876 N/A ALA 239.A N CYS 198.A O no hydrogen 3.136 N/A THR 240.A N HIS 223.A O no hydrogen 3.053 N/A LEU 241.A N LEU 196.A O no hydrogen 3.018 N/A VAL 243.A N ARG 194.A O no hydrogen 2.952 N/A ALA 245.A N GLY 192.A O no hydrogen 3.325 N/A GLU 247.A N GLU 248.A OE1 no hydrogen 2.822 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.681 N/A LEU 251.A N GLU 248.A O no hydrogen 3.162 N/A ALA 252.A N MET 213.A O no hydrogen 3.090 N/A CYS 253.A N LEU 267.A O no hydrogen 2.874 N/A ARG 254.A N MET 211.A O no hydrogen 2.838 N/A ARG 254.A NH1 ASP 264.A OD2 no hydrogen 2.998 N/A VAL 255.A N ILE 265.A O no hydrogen 2.880 N/A LYS 256.A N TRP 209.A O no hydrogen 2.883 N/A LYS 256.A NZ ASP 264.A OD2 no hydrogen 3.362 N/A HIS 257.A ND1 SER 259.A OG no hydrogen 3.052 N/A HIS 257.A NE2 PRO 205.A O no hydrogen 2.895 N/A SER 258.A OG GLN 176.A OE1 no hydrogen 2.877 N/A SER 259.A N HIS 257.A ND1 no hydrogen 3.092 N/A SER 259.A OG GLU 177.A O no hydrogen 3.151 N/A SER 259.A OG HIS 257.A ND1 no hydrogen 3.052 N/A LEU 260.A N HIS 257.A O no hydrogen 3.139 N/A GLN 263.A N LEU 260.A O no hydrogen 2.900 N/A ILE 265.A N VAL 255.A O no hydrogen 2.973 N/A LEU 267.A N CYS 253.A O no hydrogen 3.044 N/A TRP 269.A N LEU 251.A O no hydrogen 2.958 N/A SER 271.A N TYR 268.A O no hydrogen 3.368 N/A SER 271.A OG TYR 268.A O no hydrogen 2.866 N/A ILE 275.A N SER 271.A O no hydrogen 3.061 N/A ASP 277.A N HIS 273.A O no hydrogen 3.010 N/A ALA 278.A N HIS 274.A O no hydrogen 2.837 N/A GLN 279.A N ILE 275.A O no hydrogen 3.078 N/A LYS 280.A N ASP 277.A O no hydrogen 3.183 N/A MET 281.A N ALA 278.A O no hydrogen 3.092 N/A HIS 288.A N HIS 288.A ND1 no hydrogen 2.889 N/A