Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tim_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ TYR 222.A O no hydrogen 2.860 N/A LYS 2.A NZ GLN 224.A O no hydrogen 2.969 N/A LYS 2.A NZ VAL 227.A O no hydrogen 2.563 N/A GLN 4.A NE2 ASP 35.A OD1 no hydrogen 2.802 N/A ILE 6.A N ASN 228.A O no hydrogen 3.359 N/A ALA 7.A N GLN 37.A O no hydrogen 2.693 N/A ALA 8.A N PHE 230.A O no hydrogen 2.723 N/A ALA 9.A N VAL 39.A O no hydrogen 2.970 N/A ASN 10.A N VAL 232.A O no hydrogen 2.690 N/A TRP 11.A N ALA 41.A O no hydrogen 3.188 N/A TRP 11.A NE1 SER 236.A O no hydrogen 3.055 N/A LYS 12.A N ASN 10.A OD1 no hydrogen 3.339 N/A LYS 12.A NZ GLU 96.A OE2 no hydrogen 2.582 N/A ASN 14.A ND2 TRP 11.A O no hydrogen 3.495 N/A SER 16.A OG SER 19.A OG no hydrogen 3.080 N/A SER 19.A N SER 16.A OG no hydrogen 3.419 N/A SER 19.A OG SER 16.A O no hydrogen 3.512 N/A SER 19.A OG SER 16.A OG no hydrogen 3.080 N/A LEU 20.A N SER 16.A O no hydrogen 2.783 N/A SER 21.A N GLN 17.A O no hydrogen 3.025 N/A SER 21.A OG GLN 17.A O no hydrogen 2.629 N/A GLU 22.A N GLN 18.A O no hydrogen 3.227 N/A LEU 23.A N SER 19.A O no hydrogen 3.443 N/A ILE 24.A N LEU 20.A O no hydrogen 3.041 N/A ASP 25.A N SER 21.A O no hydrogen 2.852 N/A LEU 26.A N GLU 22.A O no hydrogen 3.144 N/A PHE 27.A N LEU 23.A O no hydrogen 2.731 N/A ASN 28.A N ILE 24.A O no hydrogen 2.911 N/A ASN 28.A ND2 ARG 53.A O no hydrogen 3.365 N/A SER 29.A N ASP 25.A O no hydrogen 3.063 N/A SER 29.A OG ASP 25.A O no hydrogen 2.908 N/A SER 29.A OG LEU 26.A O no hydrogen 2.937 N/A THR 30.A N PHE 27.A O no hydrogen 3.046 N/A THR 30.A OG1 LEU 26.A O no hydrogen 2.876 N/A THR 30.A OG1 PHE 27.A O no hydrogen 3.144 N/A GLN 37.A N PRO 5.A O no hydrogen 3.038 N/A GLN 37.A NE2 CYS 38.A O no hydrogen 3.316 N/A CYS 38.A N LYS 58.A O no hydrogen 2.901 N/A VAL 39.A N ALA 7.A O no hydrogen 2.936 N/A VAL 40.A N VAL 60.A O no hydrogen 2.986 N/A ALA 41.A N ALA 9.A O no hydrogen 2.840 N/A SER 42.A OG THR 43.A O no hydrogen 3.179 N/A THR 43.A OG1 HIS 46.A ND1 no hydrogen 2.874 N/A HIS 46.A N THR 43.A O no hydrogen 3.176 N/A LEU 47.A N PHE 44.A O no hydrogen 3.088 N/A THR 50.A N HIS 46.A O no hydrogen 3.455 N/A THR 50.A OG1 HIS 46.A O no hydrogen 2.910 N/A LYS 51.A N LEU 47.A O no hydrogen 2.652 N/A GLU 52.A N ALA 48.A O no hydrogen 3.112 N/A LEU 54.A N THR 50.A O no hydrogen 3.478 N/A SER 55.A N ASN 28.A OD1 no hydrogen 2.858 N/A HIS 56.A N ASN 28.A OD1 no hydrogen 3.304 N/A HIS 56.A ND1 ASN 28.A O no hydrogen 3.243 N/A LYS 58.A NZ ILE 32.A O no hydrogen 3.497 N/A PHE 59.A N HIS 56.A O no hydrogen 3.183 N/A VAL 60.A N CYS 38.A O no hydrogen 2.954 N/A ALA 62.A N VAL 40.A O no hydrogen 2.860 N/A ALA 63.A N TRP 89.A O no hydrogen 3.183 N/A GLN 64.A NE2 LYS 12.A O no hydrogen 3.376 N/A GLN 64.A NE2 ALA 41.A O no hydrogen 2.808 N/A ILE 67.A N VAL 77.A O no hydrogen 3.112 N/A SER 70.A OG SER 78.A OG no hydrogen 2.645 N/A GLU 76.A N PHE 73.A O no hydrogen 2.936 N/A SER 78.A OG SER 70.A OG no hydrogen 2.645 N/A LEU 79.A N ILE 67.A O no hydrogen 2.978 N/A LEU 82.A N SER 78.A O no hydrogen 3.142 N/A LYS 83.A N LEU 79.A O no hydrogen 2.728 N/A LYS 83.A NZ SER 118.A O no hydrogen 3.521 N/A ASP 84.A N PRO 80.A O no hydrogen 2.886 N/A PHE 85.A N ILE 81.A O no hydrogen 2.771 N/A GLY 86.A N LEU 82.A O no hydrogen 2.991 N/A VAL 87.A N LEU 82.A O no hydrogen 3.252 N/A ILE 90.A N MET 121.A O no hydrogen 3.117 N/A VAL 91.A N ALA 63.A O no hydrogen 2.803 N/A LEU 92.A N ILE 123.A O no hydrogen 3.238 N/A SER 95.A N GLU 166.A OE2 no hydrogen 3.103 N/A SER 95.A OG GLU 166.A OE1 no hydrogen 2.899 N/A GLU 96.A N HIS 94.A ND1 no hydrogen 2.736 N/A ARG 97.A N HIS 94.A O no hydrogen 2.654 N/A ARG 97.A NE GLU 103.A OE2 no hydrogen 3.045 N/A ARG 98.A N HIS 94.A O no hydrogen 2.888 N/A ARG 98.A NE GLY 93.A O no hydrogen 2.703 N/A ARG 98.A NH1 CYS 125.A O no hydrogen 3.468 N/A ARG 98.A NH2 ASN 105.A OD1 no hydrogen 3.078 N/A ALA 99.A N SER 95.A O no hydrogen 3.003 N/A TYR 100.A N GLU 96.A O no hydrogen 3.096 N/A TYR 101.A N ARG 97.A O no hydrogen 2.709 N/A THR 104.A OG1 GLU 106.A OE1 no hydrogen 2.686 N/A ILE 107.A N THR 104.A OG1 no hydrogen 3.116 N/A VAL 108.A N THR 104.A O no hydrogen 2.872 N/A ALA 109.A N ASN 105.A O no hydrogen 2.814 N/A ASP 110.A N GLU 106.A O no hydrogen 3.353 N/A LYS 111.A N ILE 107.A O no hydrogen 2.975 N/A LYS 111.A NZ ASN 65.A OD1 no hydrogen 3.176 N/A LYS 111.A NZ ALA 66.A O no hydrogen 2.942 N/A LYS 111.A NZ GLU 103.A OE2 no hydrogen 2.754 N/A VAL 112.A N VAL 108.A O no hydrogen 2.947 N/A ALA 113.A N ALA 109.A O no hydrogen 2.771 N/A ALA 114.A N ASP 110.A O no hydrogen 2.871 N/A ALA 115.A N LYS 111.A O no hydrogen 2.910 N/A VAL 116.A N VAL 112.A O no hydrogen 2.918 N/A ALA 117.A N ALA 113.A O no hydrogen 3.140 N/A SER 118.A N ALA 114.A O no hydrogen 3.002 N/A SER 118.A N ALA 115.A O no hydrogen 2.747 N/A SER 118.A OG ALA 115.A O no hydrogen 3.136 N/A GLY 119.A N VAL 116.A O no hydrogen 2.819 N/A PHE 120.A N ALA 115.A O no hydrogen 3.266 N/A MET 121.A N ASN 88.A O no hydrogen 2.832 N/A VAL 122.A N LYS 160.A O no hydrogen 2.931 N/A ILE 123.A N ILE 90.A O no hydrogen 3.031 N/A ALA 124.A N VAL 162.A O no hydrogen 2.814 N/A CYS 125.A N LEU 92.A O no hydrogen 2.892 N/A CYS 125.A SG ILE 123.A O no hydrogen 3.916 N/A ILE 126.A N ALA 164.A O no hydrogen 3.186 N/A GLY 127.A N GLN 145.A OE1 no hydrogen 2.981 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.941 N/A THR 129.A N GLU 132.A OE2 no hydrogen 2.688 N/A THR 129.A OG1 GLN 131.A OE1 no hydrogen 3.139 N/A ARG 133.A N THR 129.A O no hydrogen 2.951 N/A ARG 133.A NH1 GLU 128.A OE2 no hydrogen 2.947 N/A GLU 134.A N LEU 130.A O no hydrogen 2.983 N/A SER 135.A N GLN 131.A O no hydrogen 3.179 N/A SER 135.A OG GLN 131.A O no hydrogen 2.227 N/A SER 135.A OG GLU 132.A O no hydrogen 3.398 N/A GLY 136.A N ARG 133.A O no hydrogen 3.210 N/A ARG 137.A N GLU 132.A O no hydrogen 2.852 N/A THR 138.A OG1 GLU 128.A OE2 no hydrogen 2.454 N/A VAL 141.A N ARG 137.A O no hydrogen 2.900 N/A VAL 142.A N THR 138.A O no hydrogen 2.876 N/A LEU 143.A N ALA 139.A O no hydrogen 3.206 N/A THR 144.A N VAL 140.A O no hydrogen 3.104 N/A THR 144.A OG1 VAL 140.A O no hydrogen 2.294 N/A GLN 145.A N VAL 141.A O no hydrogen 3.289 N/A GLN 145.A NE2 GLY 127.A O no hydrogen 3.236 N/A ILE 146.A N VAL 142.A O no hydrogen 3.062 N/A ALA 147.A N LEU 143.A O no hydrogen 2.755 N/A ALA 148.A N THR 144.A O no hydrogen 2.716 N/A ALA 150.A N ILE 146.A O no hydrogen 3.261 N/A LYS 151.A N ALA 147.A O no hydrogen 2.905 N/A LYS 152.A N ILE 149.A O no hydrogen 3.230 N/A LYS 152.A NZ ASP 110.A OD2 no hydrogen 2.645 N/A LEU 153.A N ALA 150.A O no hydrogen 3.074 N/A LYS 154.A N ASP 157.A OD2 no hydrogen 3.251 N/A LYS 154.A NZ ASP 157.A OD2 no hydrogen 3.407 N/A LYS 155.A NZ ILE 197.A O no hydrogen 2.767 N/A ASP 157.A N LYS 154.A O no hydrogen 2.901 N/A TRP 158.A N LYS 155.A O no hydrogen 3.178 N/A ALA 159.A N ALA 156.A O no hydrogen 3.334 N/A LYS 160.A N ASP 157.A O no hydrogen 3.177 N/A VAL 161.A N TRP 158.A O no hydrogen 3.329 N/A VAL 162.A N VAL 122.A O no hydrogen 2.733 N/A ILE 163.A N ARG 206.A O no hydrogen 2.913 N/A ALA 164.A N ALA 124.A O no hydrogen 3.107 N/A TYR 165.A N LEU 208.A O no hydrogen 2.715 N/A TYR 165.A OH GLU 128.A OE1 no hydrogen 2.745 N/A GLU 166.A N ILE 126.A O no hydrogen 2.703 N/A VAL 168.A N GLU 166.A O no hydrogen 2.716 N/A TRP 169.A N GLU 128.A O no hydrogen 3.030 N/A TRP 169.A NE1 TYR 165.A OH no hydrogen 2.950 N/A ALA 170.A N PRO 167.A O no hydrogen 2.665 N/A ILE 171.A N VAL 168.A O no hydrogen 2.892 N/A THR 173.A OG1 TRP 169.A O no hydrogen 2.544 N/A THR 178.A N GLN 181.A OE1 no hydrogen 3.089 N/A THR 178.A OG1 GLN 181.A OE1 no hydrogen 3.390 N/A GLN 181.A N THR 178.A OG1 no hydrogen 3.022 N/A ALA 182.A N THR 178.A O no hydrogen 3.068 N/A GLN 183.A N PRO 179.A O no hydrogen 2.911 N/A GLN 183.A NE2 ASP 226.A OD1 no hydrogen 3.001 N/A GLU 184.A N GLN 180.A O no hydrogen 3.253 N/A ALA 185.A N GLN 181.A O no hydrogen 3.283 N/A HIS 186.A N ALA 182.A O no hydrogen 2.845 N/A HIS 186.A ND1 ASP 226.A O no hydrogen 2.856 N/A ALA 187.A N GLN 183.A O no hydrogen 2.715 N/A LEU 188.A N GLU 184.A O no hydrogen 2.927 N/A ILE 189.A N ALA 185.A O no hydrogen 3.368 N/A ARG 190.A N HIS 186.A O no hydrogen 2.900 N/A ARG 190.A NE ARG 202.A O no hydrogen 3.093 N/A ARG 190.A NH1 ASN 228.A OD1 no hydrogen 3.373 N/A ARG 190.A NH2 ARG 202.A O no hydrogen 3.072 N/A ARG 190.A NH2 ASN 228.A OD1 no hydrogen 3.568 N/A SER 191.A N ALA 187.A O no hydrogen 2.786 N/A TRP 192.A N LEU 188.A O no hydrogen 2.892 N/A VAL 193.A N ILE 189.A O no hydrogen 2.892 N/A SER 194.A N ARG 190.A O no hydrogen 3.020 N/A SER 195.A N SER 191.A O no hydrogen 2.772 N/A LYS 196.A N TRP 192.A O no hydrogen 2.870 N/A ILE 197.A N VAL 193.A O no hydrogen 2.687 N/A GLY 198.A N VAL 193.A O no hydrogen 3.135 N/A ARG 202.A N GLY 198.A O no hydrogen 3.185 N/A GLY 203.A N ALA 199.A O no hydrogen 2.974 N/A GLU 204.A N VAL 201.A O no hydrogen 2.871 N/A LEU 205.A N ARG 202.A O no hydrogen 3.236 N/A ARG 206.A NH1 GLN 4.A O no hydrogen 2.960 N/A ARG 206.A NH1 GLN 4.A OE1 no hydrogen 3.348 N/A ILE 207.A N ASN 228.A OD1 no hydrogen 2.630 N/A LEU 208.A N ILE 163.A O no hydrogen 2.633 N/A TYR 209.A N GLY 229.A O no hydrogen 3.086 N/A GLY 210.A N TYR 165.A O no hydrogen 3.125 N/A ASN 214.A N ASN 217.A OD1 no hydrogen 3.028 N/A GLY 215.A N GLU 240.A OE2 no hydrogen 2.494 N/A LYS 216.A N ASN 214.A OD1 no hydrogen 2.897 N/A ASN 217.A N ASN 214.A OD1 no hydrogen 3.224 N/A ASN 217.A ND2 SER 212.A O no hydrogen 3.121 N/A THR 220.A OG1 ASN 217.A O no hydrogen 2.887 N/A LEU 221.A N ASN 217.A O no hydrogen 3.073 N/A TYR 222.A N ALA 218.A O no hydrogen 2.922 N/A GLN 223.A N ARG 219.A O no hydrogen 2.850 N/A GLN 224.A N LEU 221.A O no hydrogen 2.982 N/A GLN 224.A NE2 GLN 223.A OE1 no hydrogen 3.585 N/A ASP 226.A N GLN 183.A OE1 no hydrogen 2.978 N/A VAL 227.A N GLN 224.A O no hydrogen 3.011 N/A ASN 228.A N ILE 207.A O no hydrogen 2.812 N/A PHE 230.A N ILE 6.A O no hydrogen 3.110 N/A LEU 231.A N TYR 209.A O no hydrogen 2.868 N/A VAL 232.A N ALA 8.A O no hydrogen 2.540 N/A SER 236.A N GLY 233.A O no hydrogen 2.971 N/A SER 236.A OG ASN 10.A O no hydrogen 3.385 N/A SER 236.A OG VAL 232.A O no hydrogen 3.373 N/A SER 236.A OG GLY 233.A O no hydrogen 2.447 N/A LEU 237.A N GLY 234.A O no hydrogen 3.150 N/A PHE 241.A N LYS 238.A O no hydrogen 3.117 N/A VAL 242.A N PRO 239.A O no hydrogen 2.794 N/A ASP 243.A N GLU 240.A O no hydrogen 2.920 N/A ILE 244.A N GLU 240.A O no hydrogen 3.295 N/A ILE 245.A N PHE 241.A O no hydrogen 3.096 N/A LYS 246.A N VAL 242.A O no hydrogen 3.208 N/A LYS 246.A NZ SER 31.A O no hydrogen 3.255 N/A ALA 247.A N ASP 243.A O no hydrogen 3.040 N/A THR 248.A N ILE 245.A O no hydrogen 3.015 N/A THR 248.A OG1 ILE 245.A O no hydrogen 2.396 N/A