Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5gra_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N VAL 106.A O no hydrogen 2.783 N/A ILE 5.A N ASP 30.A O no hydrogen 3.097 N/A ILE 6.A N ILE 108.A O no hydrogen 2.886 N/A LEU 7.A N ARG 32.A O no hydrogen 2.653 N/A VAL 8.A N PHE 110.A O no hydrogen 2.868 N/A ARG 9.A N VAL 34.A O no hydrogen 2.768 N/A ASN 15.A ND2 GLU 113.A OE1 no hydrogen 3.042 N/A ILE 16.A N LEU 12.A O no hydrogen 3.286 N/A GLY 17.A N GLY 13.A O no hydrogen 3.127 N/A LYS 18.A N GLU 14.A O no hydrogen 3.031 N/A LYS 18.A NZ ASN 15.A OD1 no hydrogen 3.225 N/A ALA 19.A N ASN 15.A O no hydrogen 3.023 N/A ALA 20.A N ILE 16.A O no hydrogen 3.403 N/A ARG 21.A N GLY 17.A O no hydrogen 2.975 N/A ALA 22.A N LYS 18.A O no hydrogen 3.059 N/A MET 23.A N ALA 19.A O no hydrogen 2.646 N/A LEU 24.A N ALA 20.A O no hydrogen 3.008 N/A ASN 25.A N ARG 21.A O no hydrogen 3.153 N/A PHE 26.A N MET 23.A O no hydrogen 3.114 N/A LEU 28.A N MET 23.A O no hydrogen 2.677 N/A ARG 32.A N ILE 5.A O no hydrogen 3.048 N/A ARG 32.A NE ASP 30.A OD2 no hydrogen 3.221 N/A ARG 32.A NH1 ALA 68.A O no hydrogen 2.534 N/A ARG 32.A NH1 ASP 71.A OD1 no hydrogen 2.759 N/A ARG 32.A NH1 ASP 71.A OD2 no hydrogen 3.537 N/A ARG 32.A NH2 ASP 30.A OD2 no hydrogen 3.095 N/A ARG 32.A NH2 ASP 71.A OD2 no hydrogen 3.078 N/A LEU 33.A N ARG 60.A O no hydrogen 3.134 N/A VAL 34.A N LEU 7.A O no hydrogen 2.860 N/A ALA 35.A N PHE 62.A O no hydrogen 3.156 N/A ARG 37.A N PRO 10.A O no hydrogen 2.723 N/A GLY 39.A N PRO 36.A O no hydrogen 2.971 N/A ALA 45.A N ASN 42.A OD1 no hydrogen 3.037 N/A GLY 46.A N PRO 43.A O no hydrogen 2.671 N/A ALA 49.A N ALA 45.A O no hydrogen 3.386 N/A ALA 49.A N GLY 46.A O no hydrogen 3.058 N/A SER 50.A N PRO 47.A O no hydrogen 2.878 N/A SER 50.A OG ALA 49.A O no hydrogen 2.411 N/A ALA 52.A N ALA 49.A O no hydrogen 3.166 N/A GLN 57.A N ASP 53.A O no hydrogen 2.945 N/A GLN 58.A N ARG 54.A O no hydrogen 3.038 N/A ALA 59.A N LEU 56.A O no hydrogen 3.368 N/A ARG 60.A N LEU 31.A O no hydrogen 3.370 N/A PHE 62.A N LEU 33.A O no hydrogen 2.870 N/A ALA 68.A N THR 64.A O no hydrogen 3.155 N/A VAL 69.A N ALA 66.A O no hydrogen 3.365 N/A CYS 72.A N VAL 69.A O no hydrogen 2.878 N/A ALA 73.A N GLY 104.A O no hydrogen 3.382 N/A HIS 74.A N GLY 105.A O no hydrogen 3.150 N/A HIS 74.A NE2 GLU 103.A O no hydrogen 2.726 N/A TYR 76.A N GLY 107.A O no hydrogen 3.014 N/A TYR 76.A OH THR 98.A OG1 no hydrogen 2.737 N/A TYR 76.A OH GLN 102.A OE1 no hydrogen 2.845 N/A ALA 77.A N THR 127.A O no hydrogen 2.848 N/A THR 78.A N LEU 109.A O no hydrogen 3.077 N/A THR 78.A OG1 LEU 109.A O no hydrogen 2.472 N/A THR 79.A N ILE 129.A O no hydrogen 2.609 N/A THR 79.A OG1 ARG 81.A O no hydrogen 3.474 N/A THR 79.A OG1 ILE 129.A O no hydrogen 3.434 N/A ARG 83.A NH1 LEU 117.A O no hydrogen 3.076 N/A ARG 83.A NH2 LEU 117.A O no hydrogen 3.293 N/A LYS 87.A NZ ALA 123.A O no hydrogen 2.391 N/A LYS 87.A NZ ALA 125.A O no hydrogen 2.479 N/A MET 90.A N ILE 128.A O no hydrogen 2.996 N/A GLN 94.A N THR 91.A OG1 no hydrogen 3.122 N/A ALA 95.A N THR 91.A O no hydrogen 2.746 N/A ALA 96.A N PRO 92.A O no hydrogen 2.934 N/A GLN 97.A N GLU 93.A O no hydrogen 3.305 N/A GLN 97.A N GLN 94.A O no hydrogen 3.122 N/A THR 98.A N GLN 94.A O no hydrogen 3.301 N/A THR 98.A OG1 TYR 76.A OH no hydrogen 2.737 N/A THR 98.A OG1 ALA 95.A O no hydrogen 3.157 N/A ILE 99.A N ALA 95.A O no hydrogen 2.953 N/A HIS 100.A N ALA 96.A O no hydrogen 3.209 N/A HIS 100.A N GLN 97.A O no hydrogen 3.166 N/A HIS 100.A NE2 TRP 153.A O no hydrogen 2.813 N/A GLU 101.A N GLN 97.A O no hydrogen 3.321 N/A GLN 102.A N THR 98.A O no hydrogen 2.682 N/A GLY 107.A N HIS 74.A O no hydrogen 3.136 N/A ILE 108.A N ALA 4.A O no hydrogen 2.900 N/A LEU 109.A N TYR 76.A O no hydrogen 2.596 N/A PHE 110.A N ILE 6.A O no hydrogen 2.910 N/A ALA 115.A N GLU 113.A O no hydrogen 2.636 N/A GLY 116.A N PRO 112.A O no hydrogen 2.656 N/A VAL 122.A N GLU 118.A O no hydrogen 3.093 N/A ALA 123.A N THR 119.A O no hydrogen 3.167 N/A LEU 124.A N ASP 120.A O no hydrogen 3.287 N/A ALA 125.A N VAL 122.A O no hydrogen 3.286 N/A ARG 126.A N VAL 75.A O no hydrogen 2.818 N/A ARG 126.A NE THR 203.A O no hydrogen 2.747 N/A ARG 126.A NH1 THR 203.A O no hydrogen 3.355 N/A ARG 126.A NH2 ALA 73.A O no hydrogen 2.671 N/A THR 127.A N VAL 75.A O no hydrogen 3.214 N/A ILE 128.A N PRO 88.A O no hydrogen 2.752 N/A ILE 129.A N ALA 77.A O no hydrogen 2.734 N/A VAL 131.A N THR 79.A O no hydrogen 2.939 N/A VAL 133.A N VAL 131.A O no hydrogen 2.591 N/A GLU 136.A N ASN 134.A OD1 no hydrogen 3.380 N/A PHE 137.A N ASN 134.A O no hydrogen 3.031 N/A SER 138.A OG PRO 135.A O no hydrogen 3.355 N/A SER 139.A N PHE 137.A O no hydrogen 3.080 N/A SER 139.A OG SER 139.A O no hydrogen 2.573 N/A ASN 141.A ND2 ASN 15.A OD1 no hydrogen 3.629 N/A ALA 143.A N ASN 141.A OD1 no hydrogen 3.018 N/A ALA 145.A N ASN 141.A O no hydrogen 2.891 N/A VAL 146.A N LEU 142.A O no hydrogen 3.195 N/A ILE 147.A N ALA 143.A O no hydrogen 2.985 N/A LEU 148.A N GLN 144.A O no hydrogen 3.322 N/A VAL 149.A N ALA 145.A O no hydrogen 3.340 N/A ALA 150.A N VAL 146.A O no hydrogen 3.108 N/A TYR 151.A N ILE 147.A O no hydrogen 2.870 N/A GLU 152.A N LEU 148.A O no hydrogen 3.117 N/A TRP 153.A N VAL 149.A O no hydrogen 3.032 N/A SER 154.A N ALA 150.A O no hydrogen 2.943 N/A SER 154.A OG ALA 150.A O no hydrogen 2.193 N/A SER 154.A OG TYR 151.A O no hydrogen 3.008 N/A LYS 155.A N GLU 152.A O no hydrogen 3.334 N/A LYS 155.A NZ TYR 151.A OH no hydrogen 3.379 N/A ALA 163.A N TRP 207.A O no hydrogen 3.437 N/A GLN 165.A N CYS 72.A O no hydrogen 3.143 N/A GLU 166.A N ALA 70.A O no hydrogen 3.047 N/A GLU 167.A N PRO 164.A O no hydrogen 2.804 N/A LEU 168.A N PRO 164.A O no hydrogen 3.167 N/A GLU 169.A N GLN 165.A O no hydrogen 2.560 N/A ALA 170.A N GLU 166.A O no hydrogen 3.176 N/A MET 171.A N GLU 167.A O no hydrogen 3.043 N/A ILE 172.A N LEU 168.A O no hydrogen 2.962 N/A GLY 173.A N GLU 169.A O no hydrogen 2.879 N/A HIS 174.A N ALA 170.A O no hydrogen 2.826 N/A HIS 174.A NE2 GLU 223.A OE2 no hydrogen 3.291 N/A LEU 175.A N MET 171.A O no hydrogen 3.104 N/A GLU 176.A N ILE 172.A O no hydrogen 2.924 N/A ASN 177.A N GLY 173.A O no hydrogen 2.965 N/A ASN 177.A ND2 GLY 173.A O no hydrogen 2.253 N/A MET 178.A N HIS 174.A O no hydrogen 3.259 N/A LEU 179.A N LEU 175.A O no hydrogen 2.727 N/A ASP 180.A N GLU 176.A O no hydrogen 2.772 N/A LYS 181.A NZ ASN 177.A O no hydrogen 3.123 N/A ASN 182.A N LEU 179.A O no hydrogen 3.329 N/A ASN 182.A ND2 MET 178.A O no hydrogen 2.902 N/A TYR 184.A N LEU 179.A O no hydrogen 3.191 N/A ARG 190.A N PRO 187.A O no hydrogen 2.778 N/A ILE 191.A N ILE 188.A O no hydrogen 3.186 N/A ILE 194.A N ARG 190.A O no hydrogen 2.987 N/A LYS 195.A N ILE 191.A O no hydrogen 2.985 N/A ARG 196.A N PRO 192.A O no hydrogen 3.260 N/A ARG 196.A NE ASP 120.A OD1 no hydrogen 2.938 N/A ARG 196.A NH2 ASP 120.A OD1 no hydrogen 3.458 N/A THR 197.A N THR 193.A O no hydrogen 3.049 N/A THR 197.A OG1 THR 193.A O no hydrogen 3.241 N/A THR 197.A OG1 ILE 194.A O no hydrogen 3.036 N/A LEU 198.A N ILE 194.A O no hydrogen 3.174 N/A ARG 199.A N LYS 195.A O no hydrogen 2.840 N/A THR 200.A N ARG 196.A O no hydrogen 3.062 N/A THR 200.A OG1 ARG 196.A O no hydrogen 2.838 N/A LEU 201.A N THR 197.A O no hydrogen 3.356 N/A LEU 202.A N LEU 198.A O no hydrogen 3.348 N/A THR 203.A N ARG 199.A O no hydrogen 3.014 N/A THR 203.A OG1 ARG 199.A O no hydrogen 2.307 N/A LYS 204.A N THR 200.A O no hydrogen 2.756 N/A SER 206.A OG SER 206.A O no hydrogen 2.671 N/A ASN 208.A N GLU 211.A OE1 no hydrogen 3.450 N/A SER 209.A OG GLU 167.A OE2 no hydrogen 2.597 N/A GLU 211.A N ASN 208.A OD1 no hydrogen 3.271 N/A ILE 212.A N ASN 208.A O no hydrogen 2.920 N/A ARG 213.A N SER 209.A O no hydrogen 2.609 N/A THR 214.A N MET 210.A O no hydrogen 2.641 N/A THR 214.A OG1 MET 210.A O no hydrogen 2.513 N/A LEU 215.A N GLU 211.A O no hydrogen 2.864 N/A ARG 216.A N ILE 212.A O no hydrogen 2.955 N/A ARG 216.A NE HIS 174.A ND1 no hydrogen 3.025 N/A GLY 217.A N ARG 213.A O no hydrogen 3.262 N/A VAL 218.A N THR 214.A O no hydrogen 3.101 N/A LEU 219.A N LEU 215.A O no hydrogen 3.037 N/A SER 220.A N ARG 216.A O no hydrogen 2.971 N/A SER 220.A OG ARG 216.A O no hydrogen 3.155 N/A THR 221.A N GLY 217.A O no hydrogen 3.069 N/A THR 221.A OG1 GLY 217.A O no hydrogen 2.557 N/A LEU 222.A N VAL 218.A O no hydrogen 2.980 N/A GLU 223.A N LEU 219.A O no hydrogen 2.832 N/A LYS 224.A N THR 221.A O no hydrogen 3.312 N/A