Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4at4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 4.A OD2 no hydrogen 2.765 N/A ASP 4.A N GLY 1.A O no hydrogen 3.267 N/A THR 5.A N ALA 2.A O no hydrogen 3.382 N/A THR 5.A OG1 ALA 2.A O no hydrogen 2.914 N/A THR 5.A OG1 ASN 67.A OD1 no hydrogen 3.463 N/A PHE 6.A N MET 3.A O no hydrogen 3.288 N/A ILE 10.A N VAL 79.A O no hydrogen 2.855 N/A ARG 12.A N GLU 82.A OE1 no hydrogen 3.087 N/A ARG 12.A NH1 ARG 12.A O no hydrogen 2.776 N/A ARG 12.A NH1 ILE 15.A O no hydrogen 2.823 N/A ASN 14.A N LYS 11.A O no hydrogen 3.172 N/A ILE 15.A N ARG 12.A O no hydrogen 3.122 N/A VAL 16.A N GLU 33.A O no hydrogen 2.924 N/A LYS 18.A N LEU 31.A O no hydrogen 2.823 N/A ARG 19.A N LEU 31.A O no hydrogen 3.215 N/A LEU 21.A N VAL 29.A O no hydrogen 2.792 N/A GLY 22.A N VAL 29.A O no hydrogen 3.305 N/A GLY 24.A N GLY 27.A O no hydrogen 2.729 N/A ALA 25.A N GLY 166.A O no hydrogen 3.280 N/A LYS 28.A NZ GLU 20.A OE1 no hydrogen 3.495 N/A VAL 29.A N GLY 22.A O no hydrogen 2.860 N/A PHE 30.A N VAL 44.A O no hydrogen 2.721 N/A LEU 31.A N ARG 19.A O no hydrogen 2.768 N/A ALA 32.A N VAL 42.A O no hydrogen 2.777 N/A GLU 33.A N VAL 16.A O no hydrogen 2.929 N/A CYS 34.A N ILE 40.A O no hydrogen 2.977 N/A CYS 34.A SG ASN 14.A O no hydrogen 3.955 N/A TYR 35.A N ASN 14.A O no hydrogen 2.936 N/A TYR 35.A OH GLU 33.A OE1 no hydrogen 3.029 N/A ASN 36.A ND2 ASN 14.A OD1 no hydrogen 3.021 N/A LYS 39.A NZ GLU 33.A OE2 no hydrogen 2.824 N/A ILE 40.A N CYS 34.A O no hydrogen 3.214 N/A VAL 42.A N ALA 32.A O no hydrogen 2.771 N/A ALA 43.A N PHE 90.A O no hydrogen 2.765 N/A VAL 44.A N PHE 30.A O no hydrogen 2.760 N/A LYS 45.A N MET 88.A O no hydrogen 2.915 N/A LYS 45.A NZ PHE 165.A O no hydrogen 3.020 N/A THR 46.A N LYS 28.A O no hydrogen 2.878 N/A THR 46.A OG1 LYS 28.A O no hydrogen 3.019 N/A LEU 47.A N LEU 86.A O no hydrogen 2.875 N/A ASP 49.A N ASP 84.A OD1 no hydrogen 3.116 N/A ASP 49.A N ASP 84.A OD2 no hydrogen 3.043 N/A ARG 55.A N SER 51.A O no hydrogen 2.941 N/A ARG 55.A NH1 ALA 50.A O no hydrogen 3.016 N/A ARG 55.A NH2 ASP 52.A OD1 no hydrogen 2.786 N/A LYS 56.A N ASP 52.A O no hydrogen 2.963 N/A ASP 57.A N ASN 53.A O no hydrogen 2.946 N/A PHE 58.A N ALA 54.A O no hydrogen 3.121 N/A HIS 59.A N ARG 55.A O no hydrogen 3.185 N/A ARG 60.A N LYS 56.A O no hydrogen 3.066 N/A GLU 61.A N ASP 57.A O no hydrogen 2.812 N/A ALA 62.A N PHE 58.A O no hydrogen 2.977 N/A GLU 63.A N HIS 59.A O no hydrogen 2.885 N/A LEU 64.A N ARG 60.A O no hydrogen 3.123 N/A LEU 64.A N GLU 61.A O no hydrogen 3.209 N/A LEU 65.A N GLU 61.A O no hydrogen 2.995 N/A THR 66.A N ALA 62.A O no hydrogen 2.970 N/A THR 66.A OG1 ASP 4.A O no hydrogen 2.849 N/A THR 66.A OG1 PHE 6.A O no hydrogen 3.537 N/A GLN 69.A N ASN 67.A O no hydrogen 3.091 N/A GLN 69.A N TYR 136.A OH no hydrogen 2.863 N/A GLN 69.A NE2 LEU 65.A O no hydrogen 3.391 N/A GLN 69.A NE2 THR 66.A O no hydrogen 3.347 N/A GLN 69.A NE2 PHE 76.A O no hydrogen 3.295 N/A HIS 72.A N HIS 70.A ND1 no hydrogen 3.138 N/A HIS 72.A ND1 VAL 160.A O no hydrogen 2.987 N/A ILE 73.A N HIS 70.A O no hydrogen 3.397 N/A VAL 74.A N ILE 162.A O no hydrogen 3.037 N/A LYS 75.A N GLU 91.A OE2 no hydrogen 2.899 N/A LYS 75.A NZ GLN 69.A OE1 no hydrogen 2.799 N/A TYR 77.A N VAL 89.A O no hydrogen 2.846 N/A GLY 78.A N VAL 89.A O no hydrogen 3.433 N/A VAL 79.A N GLN 8.A O no hydrogen 3.079 N/A CYS 80.A N ILE 87.A O no hydrogen 2.786 N/A CYS 80.A SG ILE 10.A O no hydrogen 3.348 N/A LEU 86.A N LEU 47.A O no hydrogen 3.009 N/A ILE 87.A N CYS 80.A O no hydrogen 2.928 N/A MET 88.A N LYS 45.A O no hydrogen 2.781 N/A VAL 89.A N GLY 78.A O no hydrogen 2.737 N/A PHE 90.A N ALA 43.A O no hydrogen 3.005 N/A GLU 91.A N LYS 75.A O no hydrogen 2.921 N/A TYR 92.A N LEU 41.A O no hydrogen 3.342 N/A GLY 96.A N MET 93.A O no hydrogen 3.238 N/A LEU 98.A N CYS 152.A O no hydrogen 2.812 N/A ASN 99.A N THR 149.A O no hydrogen 3.310 N/A ASN 99.A ND2 THR 149.A OG1 no hydrogen 3.135 N/A ASN 99.A ND2 GLY 220.A O no hydrogen 2.872 N/A LYS 100.A N ASP 97.A OD1 no hydrogen 2.932 N/A PHE 101.A N ASP 97.A O no hydrogen 3.297 N/A LEU 102.A N LEU 98.A O no hydrogen 2.821 N/A ARG 103.A N ASN 99.A O no hydrogen 3.104 N/A ARG 103.A NE ASN 99.A OD1 no hydrogen 2.954 N/A ALA 104.A N LYS 100.A O no hydrogen 3.036 N/A HIS 105.A N LEU 102.A O no hydrogen 3.310 N/A HIS 105.A ND1 PHE 101.A O no hydrogen 2.818 N/A GLY 106.A N ARG 103.A O no hydrogen 3.397 N/A VAL 110.A N GLY 106.A O no hydrogen 3.160 N/A LEU 111.A N PRO 107.A O no hydrogen 3.129 N/A MET 112.A N ASP 108.A O no hydrogen 2.775 N/A THR 116.A N LEU 291.A O no hydrogen 3.061 N/A THR 116.A OG1 LEU 291.A O no hydrogen 3.492 N/A LEU 118.A N HIS 105.A O no hydrogen 2.867 N/A THR 119.A N GLN 122.A OE1 no hydrogen 3.148 N/A GLN 120.A NE2 THR 247.A O no hydrogen 2.813 N/A SER 121.A OG SER 284.A O no hydrogen 3.563 N/A GLN 122.A N THR 119.A OG1 no hydrogen 3.337 N/A MET 123.A N THR 119.A O no hydrogen 2.940 N/A LEU 124.A N GLN 120.A O no hydrogen 3.011 N/A HIS 125.A N SER 121.A O no hydrogen 3.140 N/A ILE 126.A N GLN 122.A O no hydrogen 3.100 N/A ALA 127.A N MET 123.A O no hydrogen 3.014 N/A GLN 128.A N LEU 124.A O no hydrogen 3.060 N/A GLN 129.A NE2 HIS 125.A O no hydrogen 2.971 N/A GLN 129.A NE2 LEU 158.A O no hydrogen 2.831 N/A ILE 130.A N ILE 126.A O no hydrogen 3.334 N/A ALA 131.A N ALA 127.A O no hydrogen 3.092 N/A ALA 132.A N GLN 128.A O no hydrogen 2.989 N/A GLY 133.A N GLN 129.A O no hydrogen 3.127 N/A MET 134.A N ILE 130.A O no hydrogen 2.953 N/A VAL 135.A N ALA 131.A O no hydrogen 3.015 N/A TYR 136.A N ALA 132.A O no hydrogen 3.248 N/A LEU 137.A N GLY 133.A O no hydrogen 3.131 N/A ALA 138.A N MET 134.A O no hydrogen 3.061 N/A SER 139.A N VAL 135.A O no hydrogen 3.096 N/A SER 139.A OG TYR 136.A O no hydrogen 2.568 N/A SER 139.A OG GLN 140.A OE1 no hydrogen 3.502 N/A GLN 140.A N TYR 136.A O no hydrogen 3.145 N/A GLN 140.A N LEU 137.A O no hydrogen 3.232 N/A HIS 141.A N ALA 138.A O no hydrogen 3.213 N/A PHE 142.A N LEU 137.A O no hydrogen 2.856 N/A HIS 144.A N ASP 205.A OD2 no hydrogen 2.926 N/A HIS 144.A NE2 GLY 163.A O no hydrogen 2.813 N/A ARG 145.A N ASP 205.A OD1 no hydrogen 3.174 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.079 N/A THR 149.A N GLU 215.A OE1 no hydrogen 3.186 N/A THR 149.A OG1 GLU 215.A OE2 no hydrogen 2.767 N/A ARG 150.A NE TYR 176.A OH no hydrogen 2.886 N/A ARG 150.A NH2 ASP 146.A OD1 no hydrogen 3.043 N/A ARG 150.A NH2 TYR 176.A OH no hydrogen 3.167 N/A ASN 151.A N ALA 148.A O no hydrogen 3.006 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.841 N/A CYS 152.A N THR 149.A O no hydrogen 3.037 N/A CYS 152.A SG ALA 148.A O no hydrogen 3.723 N/A LEU 153.A N LYS 161.A O no hydrogen 2.764 N/A VAL 154.A N GLY 96.A O no hydrogen 2.952 N/A GLY 155.A N LEU 159.A O no hydrogen 2.732 N/A LEU 159.A N GLU 156.A O no hydrogen 3.232 N/A VAL 160.A N GLN 129.A OE1 no hydrogen 2.976 N/A LYS 161.A N LEU 153.A O no hydrogen 2.953 N/A LYS 161.A NZ GLU 91.A OE1 no hydrogen 3.412 N/A LYS 161.A NZ GLU 91.A OE2 no hydrogen 2.734 N/A ILE 162.A N HIS 72.A O no hydrogen 2.878 N/A GLY 163.A N ASN 151.A O no hydrogen 2.955 N/A PHE 165.A N ASN 151.A OD1 no hydrogen 3.385 N/A SER 168.A N GLU 23.A O no hydrogen 2.897 N/A SER 168.A OG GLU 23.A O no hydrogen 3.161 N/A ARG 169.A NH1 ARG 150.A O no hydrogen 2.824 N/A ARG 169.A NH2 ARG 150.A O no hydrogen 3.110 N/A TYR 172.A N ARG 169.A O no hydrogen 3.013 N/A TYR 172.A OH ASP 97.A OD2 no hydrogen 3.006 N/A SER 173.A N ASP 170.A O no hydrogen 3.341 N/A SER 173.A OG ASP 170.A O no hydrogen 2.906 N/A ASP 175.A N TYR 172.A O no hydrogen 3.113 N/A TYR 176.A N SER 173.A O no hydrogen 3.409 N/A TYR 176.A OH ASP 146.A OD2 no hydrogen 2.680 N/A TYR 177.A N LEU 185.A O no hydrogen 2.978 N/A VAL 179.A N THR 183.A O no hydrogen 2.814 N/A GLY 181.A N ARG 178.A O no hydrogen 3.272 N/A HIS 182.A N VAL 179.A O no hydrogen 3.130 N/A HIS 182.A ND1 THR 183.A OG1 no hydrogen 2.750 N/A THR 183.A N VAL 179.A O no hydrogen 3.372 N/A THR 183.A OG1 HIS 182.A ND1 no hydrogen 2.750 N/A LEU 185.A N TYR 177.A O no hydrogen 2.803 N/A ILE 187.A N LEU 185.A O no hydrogen 2.841 N/A ARG 188.A NH1 PRO 223.A O no hydrogen 3.039 N/A ARG 188.A NH1 TRP 224.A O no hydrogen 2.764 N/A ARG 188.A NH2 LEU 227.A O no hydrogen 2.972 N/A ARG 188.A NH2 ASN 229.A OD1 no hydrogen 3.520 N/A TRP 189.A N PRO 186.A O no hydrogen 2.979 N/A TRP 189.A NE1 GLU 215.A OE1 no hydrogen 2.731 N/A MET 190.A N ILE 187.A O no hydrogen 3.148 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.854 N/A SER 194.A OG LYS 199.A O no hydrogen 2.715 N/A ILE 195.A N PRO 191.A O no hydrogen 3.374 N/A MET 196.A N PRO 192.A O no hydrogen 2.971 N/A TYR 197.A N GLU 193.A O no hydrogen 2.993 N/A ARG 198.A NH1 ILE 195.A O no hydrogen 2.764 N/A LYS 199.A N GLU 193.A O no hydrogen 3.384 N/A THR 201.A N SER 204.A OG no hydrogen 2.750 N/A THR 201.A OG1 GLU 203.A OE1 no hydrogen 3.425 N/A SER 204.A N THR 201.A OG1 no hydrogen 3.427 N/A SER 204.A OG THR 201.A O no hydrogen 2.651 N/A ASP 205.A N THR 201.A O no hydrogen 3.152 N/A VAL 206.A N THR 202.A O no hydrogen 3.068 N/A TRP 207.A N GLU 203.A O no hydrogen 3.298 N/A SER 208.A N SER 204.A O no hydrogen 3.310 N/A SER 208.A OG TRP 189.A O no hydrogen 2.731 N/A SER 208.A OG SER 204.A O no hydrogen 3.232 N/A LEU 209.A N ASP 205.A O no hydrogen 2.974 N/A GLY 210.A N VAL 206.A O no hydrogen 3.129 N/A VAL 211.A N TRP 207.A O no hydrogen 3.256 N/A VAL 212.A N SER 208.A O no hydrogen 2.827 N/A LEU 213.A N LEU 209.A O no hydrogen 2.781 N/A TRP 214.A N GLY 210.A O no hydrogen 3.090 N/A TRP 214.A NE1 GLN 243.A O no hydrogen 2.803 N/A GLU 215.A N VAL 211.A O no hydrogen 2.928 N/A ILE 216.A N VAL 212.A O no hydrogen 3.008 N/A PHE 217.A N LEU 213.A O no hydrogen 3.151 N/A THR 218.A N GLU 215.A O no hydrogen 3.289 N/A THR 218.A OG1 TRP 214.A O no hydrogen 2.665 N/A THR 218.A OG1 GLU 215.A O no hydrogen 3.193 N/A TYR 219.A N ILE 216.A O no hydrogen 3.394 N/A GLY 220.A N GLU 215.A O no hydrogen 2.743 N/A LYS 221.A NZ THR 218.A O no hydrogen 2.936 N/A GLN 222.A NE2 THR 174.A O no hydrogen 3.543 N/A GLN 222.A NE2 ASP 175.A OD1 no hydrogen 3.037 N/A GLN 226.A N GLN 226.A OE1 no hydrogen 2.801 N/A LEU 227.A N TRP 224.A O no hydrogen 2.895 N/A SER 228.A N GLU 231.A OE1 no hydrogen 3.050 N/A SER 228.A OG GLU 231.A OE1 no hydrogen 3.318 N/A VAL 232.A N SER 228.A O no hydrogen 3.035 N/A ILE 233.A N ASN 229.A O no hydrogen 3.327 N/A GLU 234.A N ASN 230.A O no hydrogen 3.148 N/A CYS 235.A N GLU 231.A O no hydrogen 3.039 N/A CYS 235.A SG GLU 231.A O no hydrogen 3.391 N/A ILE 236.A N VAL 232.A O no hydrogen 3.038 N/A THR 237.A N ILE 233.A O no hydrogen 2.852 N/A THR 237.A OG1 ILE 233.A O no hydrogen 2.725 N/A THR 237.A OG1 GLU 234.A O no hydrogen 3.169 N/A GLN 238.A N GLU 234.A O no hydrogen 2.847 N/A GLN 238.A NE2 GLU 234.A OE1 no hydrogen 3.322 N/A GLY 239.A N CYS 235.A O no hydrogen 3.127 N/A ARG 240.A N CYS 235.A O no hydrogen 2.766 N/A ARG 244.A NE CYS 248.A O no hydrogen 3.261 N/A ARG 244.A NH2 ARG 246.A O no hydrogen 3.507 N/A ARG 244.A NH2 CYS 248.A O no hydrogen 2.915 N/A CYS 248.A N PRO 245.A O no hydrogen 3.127 N/A CYS 248.A SG PRO 249.A O no hydrogen 3.355 N/A GLN 250.A NE2 GLU 254.A OE2 no hydrogen 2.791 N/A TYR 253.A N PRO 249.A O no hydrogen 3.076 N/A TYR 253.A OH LEU 242.A O no hydrogen 2.739 N/A GLU 254.A N GLN 250.A O no hydrogen 3.047 N/A LEU 255.A N GLU 251.A O no hydrogen 3.204 N/A MET 256.A N VAL 252.A O no hydrogen 2.969 N/A LEU 257.A N TYR 253.A O no hydrogen 2.963 N/A GLY 258.A N GLU 254.A O no hydrogen 3.201 N/A CYS 259.A N LEU 255.A O no hydrogen 3.232 N/A CYS 259.A N MET 256.A O no hydrogen 3.103 N/A CYS 259.A SG LEU 255.A O no hydrogen 3.277 N/A TRP 260.A N MET 256.A O no hydrogen 3.117 N/A TRP 260.A N LEU 257.A O no hydrogen 3.158 N/A MET 266.A N GLU 263.A O no hydrogen 3.129 N/A ARG 267.A N PRO 264.A O no hydrogen 3.368 N/A ARG 267.A NE GLN 261.A O no hydrogen 2.779 N/A ARG 267.A NH1 GLU 193.A OE2 no hydrogen 2.842 N/A ARG 267.A NH1 GLU 203.A O no hydrogen 3.031 N/A ARG 267.A NH2 GLU 193.A OE1 no hydrogen 2.758 N/A ARG 267.A NH2 GLU 193.A OE2 no hydrogen 3.300 N/A ARG 267.A NH2 GLN 261.A O no hydrogen 3.274 N/A ARG 267.A NH2 ARG 262.A O no hydrogen 3.150 N/A LYS 268.A N GLY 258.A O no hydrogen 3.160 N/A GLY 272.A N ASN 269.A OD1 no hydrogen 2.805 N/A ILE 273.A N ASN 269.A O no hydrogen 3.093 N/A HIS 274.A N ILE 270.A O no hydrogen 3.021 N/A THR 275.A N LYS 271.A O no hydrogen 3.021 N/A THR 275.A OG1 LYS 271.A O no hydrogen 2.706 N/A LEU 276.A N GLY 272.A O no hydrogen 3.246 N/A LEU 277.A N ILE 273.A O no hydrogen 3.083 N/A GLN 278.A N HIS 274.A O no hydrogen 2.785 N/A ASN 279.A N THR 275.A O no hydrogen 3.109 N/A LEU 280.A N LEU 276.A O no hydrogen 3.073 N/A ALA 281.A N LEU 277.A O no hydrogen 2.960 N/A LYS 282.A N GLN 278.A O no hydrogen 3.133 N/A ALA 283.A N ASN 279.A O no hydrogen 3.155 N/A SER 284.A N LEU 280.A O no hydrogen 3.028 N/A LEU 291.A N THR 116.A OG1 no hydrogen 3.108 N/A