Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4de4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N LYS 48.A O no hydrogen 2.388 N/A TYR 3.A OH PRO 47.A O no hydrogen 2.532 N/A THR 4.A N GLN 7.A OE1 no hydrogen 3.000 N/A GLN 7.A N THR 4.A OG1 no hydrogen 3.147 N/A VAL 8.A N THR 4.A O no hydrogen 3.420 N/A GLU 9.A N PHE 5.A O no hydrogen 3.503 N/A LYS 10.A N ASP 6.A O no hydrogen 2.985 N/A ALA 11.A N GLN 7.A O no hydrogen 3.024 N/A ILE 12.A N VAL 8.A O no hydrogen 3.167 N/A GLU 13.A N GLU 9.A O no hydrogen 2.809 N/A GLN 14.A N LYS 10.A O no hydrogen 3.386 N/A TYR 16.A N ILE 12.A O no hydrogen 2.713 N/A PHE 19.A N TYR 16.A O no hydrogen 3.358 N/A ASN 22.A N ASN 39.A OD1 no hydrogen 3.318 N/A GLU 25.A N GLU 37.A O no hydrogen 3.249 N/A GLY 28.A N ALA 35.A O no hydrogen 3.280 N/A GLY 30.A N CYS 33.A O no hydrogen 3.074 N/A CYS 33.A SG GLY 52.A O no hydrogen 4.022 N/A ILE 34.A N PHE 46.A O no hydrogen 2.756 N/A ALA 35.A N GLY 28.A O no hydrogen 2.910 N/A TYR 36.A N PHE 44.A O no hydrogen 2.739 N/A GLU 37.A N GLU 25.A O no hydrogen 2.769 N/A ILE 38.A N PHE 42.A O no hydrogen 2.962 N/A ASN 39.A ND2 THR 20.A O no hydrogen 3.272 N/A ASP 41.A N ILE 38.A O no hydrogen 3.418 N/A PHE 42.A N ILE 38.A O no hydrogen 3.162 N/A ILE 43.A N PHE 92.A O no hydrogen 2.704 N/A PHE 44.A N TYR 36.A O no hydrogen 2.784 N/A LYS 45.A N ALA 90.A O no hydrogen 2.890 N/A LYS 45.A NZ GLU 59.A OE1 no hydrogen 3.307 N/A LYS 45.A NZ GLU 59.A OE2 no hydrogen 3.470 N/A LYS 45.A NZ ASP 213.A OD1 no hydrogen 2.928 N/A PHE 46.A N ILE 34.A O no hydrogen 2.880 N/A LYS 48.A N ASP 32.A O no hydrogen 2.746 N/A HIS 49.A NE2 ASN 31.A O no hydrogen 2.723 N/A SER 50.A OG.A THR 85.A O no hydrogen 3.125 N/A SER 50.A OG.B THR 85.A O no hydrogen 2.768 N/A ARG 51.A NE GLU 274.A O no hydrogen 2.698 N/A GLY 52.A N HIS 49.A ND1 no hydrogen 2.923 N/A SER 53.A N HIS 49.A O no hydrogen 3.148 N/A SER 53.A OG SER 50.A O no hydrogen 2.329 N/A THR 54.A N SER 50.A O no hydrogen 3.128 N/A THR 54.A OG1 SER 50.A O no hydrogen 3.366 N/A ASN 55.A N ARG 51.A O no hydrogen 3.207 N/A LEU 56.A N GLY 52.A O no hydrogen 3.077 N/A PHE 57.A N SER 53.A O no hydrogen 2.812 N/A ASN 58.A N THR 54.A O no hydrogen 2.808 N/A GLU 59.A N ASN 55.A O no hydrogen 2.715 N/A VAL 60.A N LEU 56.A O no hydrogen 2.984 N/A ASN 61.A N PHE 57.A O no hydrogen 3.256 N/A ILE 62.A N ASN 58.A O no hydrogen 3.053 N/A LEU 63.A N GLU 59.A O no hydrogen 2.953 N/A LYS 64.A N VAL 60.A O no hydrogen 3.115 N/A ARG 65.A N ILE 62.A O no hydrogen 3.050 N/A ILE 66.A N ILE 62.A O no hydrogen 3.125 N/A ILE 66.A N LEU 63.A O no hydrogen 3.316 N/A LYS 69.A N ILE 66.A O no hydrogen 3.160 N/A VAL 78.A N GLY 91.A O no hydrogen 2.820 N/A PHE 79.A N GLY 91.A O no hydrogen 3.134 N/A THR 80.A N TYR 16.A OH no hydrogen 3.035 N/A GLY 81.A N PHE 89.A O no hydrogen 2.709 N/A SER 83.A N TYR 86.A O no hydrogen 2.617 N/A SER 83.A OG THR 85.A OG1 no hydrogen 3.230 N/A GLU 84.A N GLU 84.A OE1 no hydrogen 2.696 N/A THR 85.A N SER 83.A OG no hydrogen 3.291 N/A THR 85.A OG1 SER 83.A OG no hydrogen 3.230 N/A TYR 86.A N SER 83.A OG no hydrogen 3.102 N/A GLN 87.A N SER 53.A OG no hydrogen 3.294 N/A ALA 90.A N LYS 45.A O no hydrogen 3.233 N/A GLY 91.A N PHE 79.A O no hydrogen 2.672 N/A PHE 92.A N ILE 43.A O no hydrogen 2.799 N/A THR 93.A N GLU 76.A O no hydrogen 2.945 N/A LYS 94.A N ASP 41.A O no hydrogen 2.981 N/A LYS 94.A NZ GLU 37.A OE1 no hydrogen 3.345 N/A LYS 94.A NZ GLU 37.A OE2 no hydrogen 2.832 N/A VAL 98.A N PHE 201.A O no hydrogen 3.034 N/A LEU 100.A N ILE 199.A O no hydrogen 2.598 N/A THR 101.A N PRO 99.A O no hydrogen 2.749 N/A LEU 104.A N THR 101.A OG1 no hydrogen 3.404 N/A LEU 105.A N THR 101.A O no hydrogen 3.065 N/A ASN 106.A N PRO 102.A O no hydrogen 3.079 N/A ASN 107.A N LEU 103.A O no hydrogen 3.232 N/A ASN 107.A N LEU 104.A O no hydrogen 3.313 N/A LEU 108.A N LEU 105.A O no hydrogen 3.147 N/A SER 112.A N PRO 109.A O no hydrogen 2.948 N/A GLN 113.A N PRO 109.A O no hydrogen 3.060 N/A GLN 113.A NE2 LEU 108.A O no hydrogen 2.644 N/A ASN 114.A N LYS 110.A O no hydrogen 3.106 N/A GLN 115.A N GLN 111.A O no hydrogen 3.085 N/A GLN 115.A NE2 ASP 119.A OD2 no hydrogen 3.209 N/A ALA 116.A N SER 112.A O no hydrogen 2.994 N/A ALA 117.A N GLN 113.A O no hydrogen 3.072 N/A LYS 118.A N ASN 114.A O no hydrogen 2.932 N/A ASP 119.A N GLN 115.A O no hydrogen 2.895 N/A LEU 120.A N ALA 116.A O no hydrogen 2.900 N/A ALA 121.A N ALA 117.A O no hydrogen 2.846 N/A ARG 122.A N LYS 118.A O no hydrogen 2.929 N/A ARG 122.A NH1 ASP 119.A OD1 no hydrogen 2.967 N/A PHE 123.A N ASP 119.A O no hydrogen 2.989 N/A LEU 124.A N LEU 120.A O no hydrogen 2.915 N/A SER 125.A N ALA 121.A O no hydrogen 2.841 N/A GLU 126.A N ARG 122.A O no hydrogen 3.012 N/A LEU 127.A N PHE 123.A O no hydrogen 2.931 N/A HIS 128.A N LEU 124.A O no hydrogen 2.936 N/A HIS 128.A ND1 TYR 246.A OH no hydrogen 2.850 N/A HIS 128.A NE2 ASP 225.A OD2 no hydrogen 2.603 N/A SER 129.A N GLU 126.A O no hydrogen 3.251 N/A SER 129.A OG SER 125.A O no hydrogen 2.629 N/A ILE 130.A N LEU 127.A O no hydrogen 3.394 N/A SER 133.A N ASN 131.A OD1 no hydrogen 3.205 N/A VAL 140.A N SER 137.A O no hydrogen 3.280 N/A LEU 141.A N ILE 219.A O no hydrogen 2.749 N/A PHE 143.A N TYR 185.A OH no hydrogen 3.158 N/A ARG 144.A NH2 LEU 177.A O no hydrogen 2.485 N/A GLU 145.A N ASP 142.A OD2 no hydrogen 2.923 N/A LYS 146.A N ASP 142.A O no hydrogen 2.959 N/A LYS 146.A NZ ASP 150.A OD1 no hydrogen 3.544 N/A LYS 146.A NZ ASP 150.A OD2 no hydrogen 2.679 N/A LYS 146.A NZ GLU 267.A OE1 no hydrogen 3.393 N/A ILE 147.A N PHE 143.A O no hydrogen 2.853 N/A ASN 148.A N ARG 144.A O no hydrogen 3.073 N/A GLU 149.A N GLU 145.A O no hydrogen 2.974 N/A ASP 150.A N LYS 146.A O no hydrogen 2.706 N/A ASN 151.A N ILE 147.A O no hydrogen 2.976 N/A LYS 152.A N ASN 148.A O no hydrogen 3.316 N/A LYS 153.A N GLU 149.A O no hydrogen 2.969 N/A LYS 153.A NZ GLU 274.A OE2 no hydrogen 2.493 N/A ILE 154.A N ASP 150.A O no hydrogen 2.841 N/A LYS 155.A N ASN 151.A O no hydrogen 3.064 N/A LYS 155.A NZ ASP 170.A OD1 no hydrogen 3.180 N/A LYS 155.A NZ ASP 170.A OD2 no hydrogen 3.363 N/A LYS 156.A N LYS 152.A O no hydrogen 2.882 N/A LEU 157.A N LYS 153.A O no hydrogen 2.735 N/A LEU 158.A N ILE 154.A O no hydrogen 2.734 N/A GLU 161.A N LEU 158.A O no hydrogen 3.263 N/A LEU 162.A N LEU 158.A O no hydrogen 3.091 N/A LYS 163.A N GLN 166.A OE1 no hydrogen 3.051 N/A LYS 167.A NZ ASP 171.A OD1 no hydrogen 3.536 N/A LYS 167.A NZ ASP 171.A OD2 no hydrogen 2.729 N/A LYS 168.A N PRO 165.A O no hydrogen 2.975 N/A VAL 169.A N GLN 166.A O no hydrogen 3.105 N/A ASP 171.A N LYS 167.A O no hydrogen 2.766 N/A PHE 172.A N LYS 168.A O no hydrogen 3.047 N/A TYR 173.A N VAL 169.A O no hydrogen 3.056 N/A TYR 173.A OH TYR 263.A OH no hydrogen 3.069 N/A ARG 174.A N ASP 170.A O no hydrogen 2.858 N/A ARG 174.A NH1 ASP 171.A OD1 no hydrogen 2.838 N/A ASP 175.A N ASP 171.A O no hydrogen 2.976 N/A ILE 176.A N PHE 172.A O no hydrogen 3.241 N/A LEU 177.A N TYR 173.A O no hydrogen 3.188 N/A GLU 178.A N ARG 174.A O no hydrogen 3.127 N/A ASN 179.A N ILE 176.A O no hydrogen 3.128 N/A ASN 179.A ND2 GLU 256.A OE2 no hydrogen 3.328 N/A ILE 181.A N ASN 179.A OD1 no hydrogen 3.382 N/A TYR 182.A N ASN 179.A O no hydrogen 3.472 N/A PHE 183.A N GLU 180.A O no hydrogen 3.311 N/A TYR 185.A OH LEU 141.A O no hydrogen 3.049 N/A CYS 188.A N SER 220.A O no hydrogen 3.093 N/A CYS 188.A SG LEU 189.A O no hydrogen 3.965 N/A ILE 190.A N ALA 218.A O no hydrogen 2.752 N/A HIS 191.A N ASP 225.A OD2 no hydrogen 3.225 N/A HIS 191.A NE2 ILE 212.A O no hydrogen 2.963 N/A ASN 192.A N ASP 225.A OD1 no hydrogen 2.957 N/A ASN 192.A ND2 ASP 216.A O no hydrogen 3.081 N/A ASP 193.A N HIS 191.A ND1 no hydrogen 3.152 N/A SER 195.A OG ASP 193.A O no hydrogen 3.457 N/A SER 196.A N GLU 234.A OE1 no hydrogen 2.844 N/A SER 196.A OG GLU 234.A OE1 no hydrogen 3.110 N/A HIS 198.A N SER 195.A O no hydrogen 2.992 N/A HIS 198.A ND1 ASP 193.A O no hydrogen 2.796 N/A ILE 199.A N SER 196.A O no hydrogen 3.324 N/A LEU 200.A N GLY 210.A O no hydrogen 2.828 N/A PHE 201.A N VAL 98.A O no hydrogen 2.577 N/A ASP 202.A N THR 207.A O no hydrogen 3.033 N/A GLU 204.A N ASP 202.A OD1 no hydrogen 2.945 N/A LYS 205.A N ASP 202.A OD1 no hydrogen 3.389 N/A ASN 206.A N ASP 202.A O no hydrogen 2.773 N/A CYS 209.A N LEU 200.A O no hydrogen 3.145 N/A CYS 209.A SG LYS 96.A O no hydrogen 3.307 N/A ILE 211.A N PRO 73.A O no hydrogen 3.082 N/A ILE 212.A N HIS 198.A O no hydrogen 2.947 N/A PHE 214.A N GLU 59.A OE2 no hydrogen 3.048 N/A ALA 217.A N PHE 214.A O no hydrogen 3.147 N/A ALA 218.A N ILE 190.A O no hydrogen 3.201 N/A ILE 219.A N LEU 139.A O no hydrogen 2.849 N/A SER 220.A N CYS 188.A O no hydrogen 2.850 N/A SER 220.A OG LEU 141.A O no hydrogen 3.007 N/A ASP 221.A N SER 220.A OG no hydrogen 2.543 N/A ASP 223.A N ASP 221.A OD1 no hydrogen 3.123 N/A ASN 224.A N ASP 221.A O no hydrogen 3.046 N/A ASP 225.A N PRO 222.A O no hydrogen 3.190 N/A PHE 226.A N ASP 223.A O no hydrogen 3.106 N/A ILE 227.A N ASP 223.A O no hydrogen 3.137 N/A SER 228.A N ASN 224.A O no hydrogen 3.241 N/A SER 228.A OG PHE 194.A O no hydrogen 2.708 N/A SER 228.A OG ASN 224.A O no hydrogen 3.119 N/A SER 228.A OG ASP 225.A O no hydrogen 3.182 N/A LEU 229.A N PHE 226.A O no hydrogen 3.169 N/A TYR 235.A N LEU 229.A O no hydrogen 3.138 N/A TYR 235.A OH LEU 100.A O no hydrogen 2.455 N/A VAL 239.A N GLY 236.A O no hydrogen 3.336 N/A LYS 241.A N PHE 238.A O no hydrogen 3.065 N/A LYS 241.A NZ ASN 114.A OD1 no hydrogen 2.611 N/A ILE 242.A N PHE 238.A O no hydrogen 3.294 N/A LEU 243.A N VAL 239.A O no hydrogen 2.854 N/A ASN 244.A N SER 240.A O no hydrogen 3.019 N/A HIS 245.A N LYS 241.A O no hydrogen 3.199 N/A HIS 245.A ND1 LYS 241.A O no hydrogen 2.853 N/A TYR 246.A N ILE 242.A O no hydrogen 2.791 N/A TYR 246.A OH HIS 128.A ND1 no hydrogen 2.850 N/A LYS 247.A N ASN 244.A O no hydrogen 3.020 N/A HIS 248.A N LEU 243.A O no hydrogen 2.954 N/A HIS 248.A NE2 ASP 223.A OD1 no hydrogen 2.657 N/A ASP 250.A N HIS 248.A ND1 no hydrogen 3.315 N/A THR 253.A OG1 ASP 250.A O no hydrogen 3.137 N/A THR 253.A OG1 ASP 250.A OD2 no hydrogen 2.766 N/A VAL 254.A N ILE 251.A O no hydrogen 2.817 N/A LEU 255.A N ILE 251.A O no hydrogen 3.192 N/A GLU 256.A N PRO 252.A O no hydrogen 3.042 N/A LYS 257.A N THR 253.A O no hydrogen 3.030 N/A LYS 257.A NZ ASP 221.A OD1 no hydrogen 3.347 N/A LYS 257.A NZ ASP 221.A OD2 no hydrogen 2.622 N/A LYS 257.A NZ ASP 223.A OD2 no hydrogen 2.858 N/A TYR 258.A N VAL 254.A O no hydrogen 2.986 N/A ARG 259.A N LEU 255.A O no hydrogen 3.116 N/A GLU 261.A N TYR 258.A O no hydrogen 3.142 N/A LYS 262.A N ARG 259.A O no hydrogen 3.463 N/A TYR 263.A N LYS 260.A O no hydrogen 3.206 N/A TYR 263.A OH ASP 150.A OD2 no hydrogen 2.615 N/A TYR 263.A OH TYR 173.A OH no hydrogen 3.069 N/A SER 265.A OG GLU 286.A OE1 no hydrogen 2.612 N/A PHE 266.A N TYR 263.A O no hydrogen 2.883 N/A GLU 267.A N TYR 263.A O no hydrogen 3.153 N/A LYS 268.A N TRP 264.A O no hydrogen 3.021 N/A LYS 268.A NZ GLU 282.A OE2 no hydrogen 2.939 N/A LYS 268.A NZ GLU 286.A OE1 no hydrogen 3.170 N/A LYS 268.A NZ GLU 286.A OE2 no hydrogen 2.487 N/A ILE 270.A N PHE 266.A O no hydrogen 3.131 N/A TYR 271.A N GLU 267.A O no hydrogen 2.598 N/A GLY 272.A N LYS 268.A O no hydrogen 3.010 N/A LYS 273.A N ILE 270.A O no hydrogen 2.859 N/A GLU 274.A N ILE 270.A O no hydrogen 2.871 N/A TYR 275.A N TYR 271.A O no hydrogen 3.058 N/A TYR 275.A OH ASN 55.A OD1 no hydrogen 2.945 N/A TRP 279.A N TYR 277.A O no hydrogen 3.365 N/A GLY 283.A N TRP 279.A O no hydrogen 2.933 N/A LEU 284.A N TYR 280.A O no hydrogen 2.898 N/A ASN 285.A N GLU 281.A O no hydrogen 3.207 N/A ILE 287.A N GLY 283.A O no hydrogen 3.421 N/A