Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jr3_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 131.A O no hydrogen 3.105 N/A LEU 4.A N GLN 136.A O no hydrogen 2.842 N/A TYR 5.A N GLN 8.A OE1 no hydrogen 3.449 N/A GLN 8.A N TYR 5.A O no hydrogen 2.614 N/A GLN 12.A N GLN 8.A O no hydrogen 3.411 N/A GLN 12.A NE2 GLY 16.A O no hydrogen 3.110 N/A LEU 13.A N LEU 9.A O no hydrogen 2.794 N/A ASN 14.A N ALA 11.A O no hydrogen 3.226 N/A GLU 15.A N GLN 12.A O no hydrogen 2.862 N/A GLY 16.A N GLN 12.A O no hydrogen 3.339 N/A ARG 18.A N TYR 21.A OH no hydrogen 2.921 N/A TYR 21.A N LEU 110.A O no hydrogen 3.100 N/A TYR 21.A OH GLN 12.A OE1 no hydrogen 3.347 N/A LEU 22.A N VAL 135.A O no hydrogen 3.001 N/A LEU 23.A N VAL 112.A O no hydrogen 2.721 N/A LEU 24.A N VAL 137.A O no hydrogen 3.270 N/A GLY 25.A N GLY 114.A O no hydrogen 2.413 N/A LEU 31.A N ASP 27.A O no hydrogen 3.012 N/A GLN 32.A N PRO 28.A O no hydrogen 3.246 N/A GLU 33.A N LEU 29.A O no hydrogen 2.979 N/A SER 34.A N LEU 30.A O no hydrogen 3.107 N/A SER 34.A OG LEU 30.A O no hydrogen 2.741 N/A GLN 35.A N LEU 31.A O no hydrogen 2.847 N/A ASP 36.A N GLN 32.A O no hydrogen 2.784 N/A ALA 37.A N GLU 33.A O no hydrogen 2.837 N/A VAL 38.A N SER 34.A O no hydrogen 2.955 N/A ARG 39.A N GLN 35.A O no hydrogen 3.086 N/A GLN 40.A N ASP 36.A O no hydrogen 2.835 N/A VAL 41.A N ALA 37.A O no hydrogen 3.388 N/A VAL 41.A N VAL 38.A O no hydrogen 2.892 N/A ALA 42.A N VAL 38.A O no hydrogen 2.984 N/A ALA 43.A N ARG 39.A O no hydrogen 2.789 N/A GLN 45.A N ALA 42.A O no hydrogen 2.529 N/A GLY 46.A N ALA 42.A O no hydrogen 3.330 N/A GLU 48.A N GLY 46.A O no hydrogen 2.905 N/A PHE 53.A N LEU 81.A O no hydrogen 2.814 N/A ILE 55.A N LEU 83.A O no hydrogen 3.111 N/A THR 59.A N ASP 56.A O no hydrogen 3.413 N/A ALA 63.A N ASP 60.A O no hydrogen 2.883 N/A ILE 64.A N ASP 60.A O no hydrogen 3.238 N/A PHE 65.A N TRP 61.A O no hydrogen 2.957 N/A SER 66.A N ASN 62.A O no hydrogen 3.001 N/A LEU 67.A N ALA 63.A O no hydrogen 2.857 N/A CYS 68.A N ILE 64.A O no hydrogen 2.997 N/A CYS 68.A SG ILE 64.A O no hydrogen 3.140 N/A GLN 69.A N PHE 65.A O no hydrogen 2.972 N/A ALA 70.A N SER 66.A O no hydrogen 3.299 N/A MET 71.A N LEU 67.A O no hydrogen 2.957 N/A SER 72.A N CYS 68.A O no hydrogen 2.782 N/A SER 72.A OG CYS 68.A O no hydrogen 2.732 N/A SER 72.A OG GLN 69.A O no hydrogen 3.384 N/A LEU 73.A N GLN 69.A O no hydrogen 3.143 N/A GLN 78.A N ASP 107.A O no hydrogen 3.238 N/A GLN 78.A NE2 MET 71.A O no hydrogen 2.868 N/A THR 79.A N GLU 49.A O no hydrogen 2.991 N/A THR 79.A OG1 HIS 50.A ND1 no hydrogen 3.217 N/A LEU 80.A N LEU 109.A O no hydrogen 2.898 N/A LEU 81.A N HIS 51.A O no hydrogen 2.625 N/A LEU 82.A N ILE 111.A O no hydrogen 2.679 N/A LEU 83.A N PHE 53.A O no hydrogen 3.065 N/A LEU 84.A N ARG 113.A O no hydrogen 2.889 N/A ILE 93.A N ASN 90.A OD1 no hydrogen 2.619 N/A ASN 94.A N ASN 90.A O no hydrogen 3.246 N/A ASN 94.A ND2 ALA 91.A O no hydrogen 3.660 N/A GLU 95.A N ALA 92.A O no hydrogen 3.004 N/A GLN 96.A N ALA 92.A O no hydrogen 3.468 N/A GLN 96.A NE2 THR 59.A O no hydrogen 3.215 N/A LEU 97.A N ILE 93.A O no hydrogen 2.771 N/A LEU 98.A N ASN 94.A O no hydrogen 3.271 N/A THR 99.A N GLU 95.A O no hydrogen 2.738 N/A THR 99.A OG1 GLU 95.A O no hydrogen 3.220 N/A LEU 100.A N GLN 96.A O no hydrogen 3.183 N/A THR 101.A N LEU 97.A O no hydrogen 2.762 N/A GLY 102.A N THR 99.A O no hydrogen 3.390 N/A LEU 103.A N LEU 100.A O no hydrogen 2.687 N/A LEU 108.A N HIS 105.A O no hydrogen 3.133 N/A LEU 109.A N GLN 78.A O no hydrogen 3.232 N/A LEU 110.A N ALA 19.A O no hydrogen 3.372 N/A ILE 111.A N LEU 80.A O no hydrogen 2.831 N/A VAL 112.A N TYR 21.A O no hydrogen 2.972 N/A ARG 113.A N LEU 82.A O no hydrogen 2.881 N/A GLY 114.A N LEU 23.A O no hydrogen 2.891 N/A ASN 115.A ND2 GLU 86.A O no hydrogen 3.133 N/A SER 118.A N GLN 121.A OE1 no hydrogen 2.926 N/A ALA 120.A N SER 118.A OG no hydrogen 3.259 N/A GLN 121.A N SER 118.A OG no hydrogen 3.232 N/A GLN 121.A NE2 PRO 89.A O no hydrogen 3.255 N/A GLU 122.A N SER 118.A O no hydrogen 2.996 N/A ASN 123.A N ALA 120.A O no hydrogen 2.849 N/A THR 128.A N ALA 124.A O no hydrogen 3.269 N/A THR 128.A OG1 ASN 123.A O no hydrogen 3.529 N/A THR 128.A OG1 ALA 125.A O no hydrogen 3.226 N/A ALA 129.A N ALA 125.A O no hydrogen 3.071 N/A ALA 129.A N TRP 126.A O no hydrogen 3.264 N/A ALA 131.A N PHE 127.A O no hydrogen 3.244 N/A ARG 133.A N LEU 130.A O no hydrogen 2.871 N/A SER 134.A N LEU 130.A O no hydrogen 2.807 N/A SER 134.A OG LEU 130.A O no hydrogen 3.017 N/A VAL 135.A N ALA 20.A O no hydrogen 2.839 N/A GLN 136.A N ILE 2.A O no hydrogen 3.042 N/A VAL 137.A N LEU 22.A O no hydrogen 2.973 N/A THR 138.A N LEU 4.A O no hydrogen 2.984 N/A CYS 139.A N LEU 24.A O no hydrogen 3.344 N/A CYS 139.A SG SER 34.A OG no hydrogen 3.585 N/A CYS 139.A SG VAL 137.A O no hydrogen 3.768 N/A THR 141.A N ASN 26.A OD1 no hydrogen 2.881 N/A THR 141.A OG1 ASN 26.A OD1 no hydrogen 3.005 N/A GLN 146.A N GLU 143.A O no hydrogen 2.776 N/A LEU 147.A N GLU 143.A O no hydrogen 2.811 N/A TRP 150.A N GLN 146.A O no hydrogen 2.653 N/A VAL 151.A N LEU 147.A O no hydrogen 3.034 N/A ALA 152.A N PRO 148.A O no hydrogen 2.855 N/A ALA 153.A N ARG 149.A O no hydrogen 2.962 N/A ARG 154.A N TRP 150.A O no hydrogen 2.890 N/A ARG 154.A NH1 GLU 33.A OE2 no hydrogen 3.368 N/A ARG 154.A NH2 GLU 33.A OE2 no hydrogen 3.298 N/A ALA 155.A N VAL 151.A O no hydrogen 2.867 N/A LYS 156.A N ALA 152.A O no hydrogen 2.972 N/A GLN 157.A N ALA 153.A O no hydrogen 3.211 N/A LEU 158.A N ALA 155.A O no hydrogen 2.900 N/A ASN 159.A N LYS 156.A O no hydrogen 3.172 N/A LEU 160.A N ALA 155.A O no hydrogen 3.113 N/A GLU 161.A N GLY 195.A O no hydrogen 3.282 N/A ASP 163.A N LEU 197.A O no hydrogen 3.129 N/A ASN 167.A N ASP 163.A O no hydrogen 2.706 N/A ASN 167.A ND2 PRO 148.A O no hydrogen 3.299 N/A GLN 168.A N ASP 164.A O no hydrogen 2.992 N/A VAL 169.A N ALA 165.A O no hydrogen 2.850 N/A LEU 170.A N ALA 166.A O no hydrogen 2.871 N/A CYS 171.A N ASN 167.A O no hydrogen 3.007 N/A CYS 171.A SG ASN 167.A O no hydrogen 2.824 N/A CYS 171.A SG ASN 167.A OD1 no hydrogen 3.138 N/A TYR 172.A N GLN 168.A O no hydrogen 2.776 N/A CYS 173.A N VAL 169.A O no hydrogen 3.082 N/A ASN 177.A N TYR 174.A O no hydrogen 3.105 N/A LEU 179.A N ASN 177.A OD1 no hydrogen 3.246 N/A ALA 180.A N ASN 177.A O no hydrogen 2.759 N/A ALA 180.A N ASN 177.A OD1 no hydrogen 3.384 N/A LEU 181.A N ASN 177.A O no hydrogen 3.149 N/A ALA 182.A N LEU 178.A O no hydrogen 3.116 N/A GLN 183.A N LEU 179.A O no hydrogen 3.100 N/A ALA 184.A N ALA 180.A O no hydrogen 2.763 N/A LEU 185.A N LEU 181.A O no hydrogen 3.065 N/A GLU 186.A N ALA 182.A O no hydrogen 3.010 N/A ARG 187.A N GLN 183.A O no hydrogen 2.619 N/A LEU 188.A N ALA 184.A O no hydrogen 2.820 N/A SER 189.A N GLU 186.A O no hydrogen 3.273 N/A LEU 190.A N ARG 187.A O no hydrogen 2.664 N/A LEU 191.A N ARG 187.A O no hydrogen 3.124 N/A TRP 192.A N LEU 188.A O no hydrogen 3.253 N/A GLY 195.A N TRP 192.A O no hydrogen 3.061 N/A LEU 197.A N GLU 161.A O no hydrogen 3.034 N/A THR 198.A N LYS 196.A O no hydrogen 3.084 N/A THR 198.A OG1 LYS 196.A O no hydrogen 3.382 N/A ARG 201.A NH1 ASP 194.A OD2 no hydrogen 3.081 N/A ARG 201.A NH1 LYS 196.A O no hydrogen 3.147 N/A ARG 201.A NH2 ASP 194.A OD2 no hydrogen 3.308 N/A VAL 202.A N THR 198.A O no hydrogen 2.922 N/A GLU 203.A N LEU 199.A O no hydrogen 2.644 N/A GLN 204.A N PRO 200.A O no hydrogen 2.949 N/A ALA 205.A N ARG 201.A O no hydrogen 3.180 N/A VAL 206.A N VAL 202.A O no hydrogen 3.010 N/A ASN 207.A N GLU 203.A O no hydrogen 3.038 N/A ASP 208.A N GLN 204.A O no hydrogen 2.904 N/A ALA 209.A N ALA 205.A O no hydrogen 3.115 N/A ALA 210.A N ASN 207.A O no hydrogen 3.251 N/A PHE 212.A N GLU 239.A OE2 no hydrogen 2.725 N/A HIS 216.A N THR 213.A O no hydrogen 2.694 N/A TRP 217.A N PRO 214.A O no hydrogen 3.324 N/A ASP 219.A N PHE 215.A O no hydrogen 2.486 N/A ALA 220.A N HIS 216.A O no hydrogen 3.081 N/A LEU 221.A N TRP 217.A O no hydrogen 2.621 N/A LEU 230.A N SER 226.A O no hydrogen 2.682 N/A HIS 231.A N LYS 227.A O no hydrogen 2.844 N/A ILE 232.A N ARG 228.A O no hydrogen 2.779 N/A LEU 233.A N ALA 229.A O no hydrogen 2.690 N/A GLN 234.A N LEU 230.A O no hydrogen 2.967 N/A GLN 235.A N ILE 232.A O no hydrogen 3.085 N/A LEU 236.A N LEU 233.A O no hydrogen 3.438 N/A LEU 246.A N PRO 243.A O no hydrogen 2.581 N/A LEU 247.A N PRO 243.A O no hydrogen 3.086 N/A ARG 248.A N VAL 244.A O no hydrogen 3.310 N/A THR 249.A N LEU 246.A O no hydrogen 2.969 N/A THR 249.A OG1 ILE 245.A O no hydrogen 3.008 N/A LEU 250.A N LEU 246.A O no hydrogen 3.024 N/A GLN 251.A N LEU 247.A O no hydrogen 2.880 N/A GLU 253.A N THR 249.A O no hydrogen 3.480 N/A LEU 254.A N LEU 250.A O no hydrogen 2.731 N/A LEU 255.A N GLN 251.A O no hydrogen 2.816 N/A LEU 256.A N ARG 252.A O no hydrogen 3.306 N/A LEU 257.A N GLU 253.A O no hydrogen 3.085 N/A VAL 258.A N LEU 254.A O no hydrogen 3.063 N/A ASN 259.A N LEU 255.A O no hydrogen 3.100 N/A ASN 259.A ND2 LEU 255.A O no hydrogen 3.189 N/A LEU 260.A N LEU 256.A O no hydrogen 3.227 N/A LYS 261.A N LEU 257.A O no hydrogen 2.805 N/A LYS 261.A NZ LEU 290.A O no hydrogen 3.039 N/A LYS 261.A NZ LEU 293.A O no hydrogen 3.176 N/A ARG 262.A N VAL 258.A O no hydrogen 3.180 N/A GLN 263.A N LEU 260.A O no hydrogen 2.774 N/A SER 264.A OG LYS 261.A O no hydrogen 3.234 N/A THR 267.A OG1 HIS 266.A O no hydrogen 2.441 N/A PHE 273.A N LEU 269.A O no hydrogen 3.304 N/A LYS 275.A N ALA 271.A O no hydrogen 3.064 N/A HIS 276.A N LEU 272.A O no hydrogen 3.018 N/A ARG 277.A N ASP 274.A O no hydrogen 2.857 N/A ARG 282.A NH1 GLU 253.A OE2 no hydrogen 2.783 N/A ARG 282.A NH2 ASP 219.A OD1 no hydrogen 2.694 N/A MET 286.A N ARG 282.A O no hydrogen 2.552 N/A GLU 288.A N GLY 284.A O no hydrogen 2.849 N/A ALA 289.A N MET 285.A O no hydrogen 2.993 N/A LEU 290.A N MET 286.A O no hydrogen 2.933 N/A ASN 291.A N GLY 287.A O no hydrogen 2.927 N/A ASN 291.A ND2 GLY 287.A O no hydrogen 3.059 N/A ARG 292.A N ALA 289.A O no hydrogen 3.142 N/A ARG 292.A NH1 ASN 291.A O no hydrogen 2.970 N/A LEU 293.A N ALA 289.A O no hydrogen 3.182 N/A SER 294.A OG THR 296.A OG1 no hydrogen 3.099 N/A THR 296.A OG1 SER 294.A OG no hydrogen 3.099 N/A GLN 297.A N SER 294.A OG no hydrogen 2.998 N/A GLN 297.A NE2 ARG 292.A O no hydrogen 3.229 N/A LEU 298.A N SER 294.A O no hydrogen 3.033 N/A GLN 300.A N THR 296.A O no hydrogen 3.085 N/A GLN 300.A NE2 LEU 336.A O no hydrogen 3.015 N/A ALA 301.A N GLN 297.A O no hydrogen 3.034 N/A VAL 302.A N ARG 299.A O no hydrogen 2.530 N/A GLN 303.A N ARG 299.A O no hydrogen 3.274 N/A GLN 303.A N GLN 300.A O no hydrogen 3.036 N/A LEU 304.A N GLN 300.A O no hydrogen 3.194 N/A LEU 305.A N ALA 301.A O no hydrogen 3.275 N/A THR 306.A N VAL 302.A O no hydrogen 3.141 N/A THR 306.A OG1 VAL 302.A O no hydrogen 2.918 N/A ARG 307.A N GLN 303.A O no hydrogen 2.840 N/A THR 308.A N LEU 304.A O no hydrogen 2.942 N/A THR 308.A OG1 LEU 304.A O no hydrogen 2.970 N/A THR 308.A OG1 GLU 323.A OE1 no hydrogen 2.596 N/A GLU 309.A N LEU 305.A O no hydrogen 2.839 N/A LEU 310.A N THR 306.A O no hydrogen 2.903 N/A LEU 310.A N ARG 307.A O no hydrogen 2.678 N/A THR 311.A N ARG 307.A O no hydrogen 2.544 N/A THR 311.A OG1 ARG 307.A O no hydrogen 3.018 N/A LEU 312.A N THR 308.A O no hydrogen 2.826 N/A LYS 313.A N LEU 310.A O no hydrogen 2.665 N/A SER 319.A OG GLN 318.A O no hydrogen 2.979 N/A LEU 324.A N VAL 320.A O no hydrogen 3.046 N/A GLU 325.A N TRP 321.A O no hydrogen 3.033 N/A GLU 325.A N ALA 322.A O no hydrogen 2.932 N/A GLY 326.A N ALA 322.A O no hydrogen 2.978 N/A LEU 327.A N GLU 323.A O no hydrogen 2.590 N/A SER 328.A N LEU 324.A O no hydrogen 2.992 N/A SER 328.A OG LEU 324.A O no hydrogen 2.925 N/A SER 328.A OG GLU 325.A O no hydrogen 2.518 N/A LEU 329.A N GLU 325.A O no hydrogen 3.205 N/A LEU 330.A N LEU 327.A O no hydrogen 3.036 N/A CYS 332.A SG GLY 224.A O no hydrogen 3.287 N/A CYS 332.A SG SER 328.A O no hydrogen 3.656 N/A