Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6sht_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N SER 3.A OG no hydrogen 3.298 N/A ARG 6.A N SER 3.A O no hydrogen 3.275 N/A ARG 6.A NE TYR 9.A O no hydrogen 3.040 N/A ARG 6.A NH2 TYR 9.A O no hydrogen 3.184 N/A ASN 8.A ND2 ASN 122.A O no hydrogen 3.319 N/A TYR 9.A OH GLN 70.A OE1 no hydrogen 2.483 N/A ASP 12.A N HIS 10.A ND1 no hydrogen 3.288 N/A ALA 13.A N HIS 10.A O no hydrogen 3.002 N/A GLU 14.A N HIS 10.A O no hydrogen 3.224 N/A ALA 15.A N GLN 11.A O no hydrogen 3.140 N/A ALA 16.A N ASP 12.A O no hydrogen 3.200 N/A ILE 17.A N ALA 13.A O no hydrogen 2.914 N/A ASN 18.A N GLU 14.A O no hydrogen 3.263 N/A ASN 18.A ND2 ARG 76.A O no hydrogen 3.163 N/A ARG 19.A N ALA 15.A O no hydrogen 3.292 N/A GLN 20.A N ALA 16.A O no hydrogen 3.134 N/A GLN 20.A N ILE 17.A O no hydrogen 3.215 N/A GLN 20.A NE2 GLU 24.A OE2 no hydrogen 2.876 N/A ILE 21.A N ILE 17.A O no hydrogen 3.078 N/A ASN 22.A N ASN 18.A O no hydrogen 3.214 N/A LEU 23.A N ARG 19.A O no hydrogen 3.190 N/A GLU 24.A N GLN 20.A O no hydrogen 3.018 N/A LEU 25.A N ILE 21.A O no hydrogen 3.145 N/A TYR 26.A N ASN 22.A O no hydrogen 3.103 N/A ALA 27.A N LEU 23.A O no hydrogen 3.017 N/A SER 28.A N GLU 24.A O no hydrogen 2.964 N/A SER 28.A OG SER 56.A O no hydrogen 2.817 N/A TYR 29.A N LEU 25.A O no hydrogen 3.060 N/A TYR 29.A N TYR 26.A O no hydrogen 3.119 N/A VAL 30.A N TYR 26.A O no hydrogen 3.057 N/A TYR 31.A N ALA 27.A O no hydrogen 3.073 N/A TYR 31.A OH GLU 104.A OE1 no hydrogen 2.022 N/A LEU 32.A N SER 28.A O no hydrogen 3.304 N/A SER 33.A N TYR 29.A O no hydrogen 2.948 N/A MET 34.A N VAL 30.A O no hydrogen 3.105 N/A SER 35.A N TYR 31.A O no hydrogen 2.977 N/A SER 35.A OG ALA 49.A O no hydrogen 2.827 N/A CYS 36.A N LEU 32.A O no hydrogen 3.174 N/A CYS 36.A SG LEU 32.A O no hydrogen 3.383 N/A TYR 37.A N SER 33.A O no hydrogen 3.147 N/A TYR 37.A OH ASP 89.A OD1 no hydrogen 3.410 N/A TYR 37.A OH GLU 91.A O no hydrogen 2.759 N/A PHE 38.A N MET 34.A O no hydrogen 3.157 N/A ASP 39.A N CYS 36.A O no hydrogen 3.257 N/A ARG 40.A N TYR 37.A O no hydrogen 3.060 N/A ARG 40.A NH2 ASP 42.A OD2 no hydrogen 3.182 N/A VAL 43.A N ARG 40.A O no hydrogen 3.151 N/A ALA 44.A N ARG 40.A O no hydrogen 2.882 N/A ASN 47.A N ASP 168.A OD2 no hydrogen 3.399 N/A ASN 47.A ND2 ASP 168.A O no hydrogen 2.825 N/A ASN 47.A ND2 ASP 168.A OD2 no hydrogen 3.213 N/A PHE 48.A N ASP 168.A OD1 no hydrogen 2.967 N/A ALA 49.A N LEU 45.A O no hydrogen 3.161 N/A LYS 50.A N LYS 46.A O no hydrogen 3.028 N/A LYS 50.A NZ.A ASN 47.A OD1 no hydrogen 3.297 N/A TYR 51.A N ASN 47.A O no hydrogen 3.089 N/A TYR 51.A OH GLU 144.A OE2 no hydrogen 3.386 N/A PHE 52.A N PHE 48.A O no hydrogen 3.235 N/A LEU 53.A N ALA 49.A O no hydrogen 3.108 N/A HIS 54.A N LYS 50.A O no hydrogen 3.131 N/A GLN 55.A N TYR 51.A O no hydrogen 3.207 N/A SER 56.A N PHE 52.A O no hydrogen 2.991 N/A SER 56.A OG SER 28.A O no hydrogen 2.806 N/A HIS 57.A N LEU 53.A O no hydrogen 3.126 N/A GLU 58.A N HIS 54.A O no hydrogen 3.040 N/A GLU 59.A N GLN 55.A O no hydrogen 3.046 N/A ARG 60.A N SER 56.A O no hydrogen 3.261 N/A ARG 60.A NH1.B GLU 64.A OE2 no hydrogen 2.808 N/A GLU 61.A N HIS 57.A O no hydrogen 3.248 N/A HIS 62.A N GLU 58.A O no hydrogen 3.123 N/A HIS 62.A ND1 GLU 59.A OE1 no hydrogen 2.862 N/A ALA 63.A N GLU 59.A O no hydrogen 3.153 N/A GLU 64.A N ARG 60.A O no hydrogen 3.289 N/A LYS 65.A N GLU 61.A O no hydrogen 3.226 N/A LEU 66.A N HIS 62.A O no hydrogen 3.330 N/A MET 67.A N ALA 63.A O no hydrogen 3.040 N/A LYS 68.A N GLU 64.A O no hydrogen 3.008 N/A LEU 69.A N LYS 65.A O no hydrogen 2.964 N/A GLN 70.A N LEU 66.A O no hydrogen 3.207 N/A GLN 70.A NE2 GLU 14.A O no hydrogen 3.193 N/A GLN 70.A NE2 ASN 18.A OD1 no hydrogen 2.873 N/A ASN 71.A N MET 67.A O no hydrogen 3.275 N/A GLN 72.A N LYS 68.A O no hydrogen 2.915 N/A ARG 73.A N LEU 69.A O no hydrogen 3.167 N/A ARG 73.A NH1 ASP 123.A OD1 no hydrogen 3.286 N/A ARG 73.A NH1 ASP 123.A OD2 no hydrogen 3.110 N/A ARG 73.A NH1 HIS 125.A ND1 no hydrogen 3.277 N/A ARG 73.A NH2 GLN 7.A O no hydrogen 3.006 N/A ARG 73.A NH2 ASN 8.A O no hydrogen 2.945 N/A ARG 73.A NH2 ASP 123.A OD2 no hydrogen 3.503 N/A GLY 74.A N ASN 71.A O no hydrogen 3.246 N/A GLY 75.A N GLN 70.A O no hydrogen 2.849 N/A ARG 76.A N GLU 14.A OE2 no hydrogen 3.214 N/A ARG 76.A NH1 GLY 75.A O no hydrogen 3.302 N/A GLN 80.A NE2 PHE 78.A O no hydrogen 3.586 N/A TRP 90.A NE1 SER 33.A OG no hydrogen 3.255 N/A ASN 95.A N SER 92.A OG no hydrogen 3.060 N/A ASN 95.A ND2 TRP 90.A O no hydrogen 3.337 N/A ALA 96.A N SER 92.A O no hydrogen 2.833 N/A MET 97.A N GLY 93.A O no hydrogen 3.126 N/A GLU 98.A N LEU 94.A O no hydrogen 3.079 N/A CYS 99.A N ASN 95.A O no hydrogen 3.151 N/A CYS 99.A SG ASN 95.A O no hydrogen 3.243 N/A ALA 100.A N ALA 96.A O no hydrogen 3.002 N/A LEU 101.A N MET 97.A O no hydrogen 3.114 N/A HIS 102.A N GLU 98.A O no hydrogen 3.045 N/A LEU 103.A N CYS 99.A O no hydrogen 2.825 N/A GLU 104.A N ALA 100.A O no hydrogen 2.832 N/A LYS 105.A N LEU 101.A O no hydrogen 3.198 N/A SER 106.A N HIS 102.A O no hydrogen 3.318 N/A SER 106.A N LEU 103.A O no hydrogen 2.974 N/A SER 106.A OG LEU 103.A O no hydrogen 2.759 N/A VAL 107.A N LEU 103.A O no hydrogen 3.083 N/A ASN 108.A N GLU 104.A O no hydrogen 3.202 N/A GLN 109.A N LYS 105.A O no hydrogen 2.852 N/A SER 110.A N SER 106.A O no hydrogen 3.141 N/A SER 110.A OG GLN 20.A OE1 no hydrogen 3.011 N/A SER 110.A OG SER 106.A O no hydrogen 3.227 N/A SER 110.A OG VAL 107.A O no hydrogen 2.752 N/A LEU 111.A N VAL 107.A O no hydrogen 3.174 N/A LEU 112.A N ASN 108.A O no hydrogen 3.137 N/A GLU 113.A N GLN 109.A O no hydrogen 3.298 N/A GLU 113.A N SER 110.A O no hydrogen 3.203 N/A LEU 114.A N SER 110.A O no hydrogen 2.974 N/A HIS 115.A N LEU 111.A O no hydrogen 2.977 N/A LYS 116.A N LEU 112.A O no hydrogen 3.262 N/A LEU 117.A N GLU 113.A O no hydrogen 3.179 N/A LEU 117.A N LEU 114.A O no hydrogen 3.317 N/A ALA 118.A N LEU 114.A O no hydrogen 3.182 N/A THR 119.A N HIS 115.A O no hydrogen 3.177 N/A THR 119.A OG1 HIS 115.A O no hydrogen 3.441 N/A ASP 120.A N LYS 116.A O no hydrogen 3.402 N/A ASN 122.A N THR 119.A O no hydrogen 3.395 N/A ASP 123.A N ALA 118.A O no hydrogen 2.900 N/A HIS 125.A N ASP 123.A OD1 no hydrogen 3.235 N/A LEU 126.A N ASP 123.A OD1 no hydrogen 3.409 N/A CYS 127.A N ASP 123.A O no hydrogen 3.312 N/A CYS 127.A SG HIS 115.A NE2 no hydrogen 3.822 N/A CYS 127.A SG THR 119.A OG1 no hydrogen 3.475 N/A CYS 127.A SG ASP 123.A O no hydrogen 3.617 N/A ASP 128.A N PRO 124.A O no hydrogen 3.084 N/A PHE 129.A N HIS 125.A O no hydrogen 2.951 N/A ILE 130.A N LEU 126.A O no hydrogen 2.988 N/A GLU 131.A N CYS 127.A O no hydrogen 2.938 N/A THR 132.A N ASP 128.A O no hydrogen 2.845 N/A THR 132.A OG1 ASP 128.A O no hydrogen 3.039 N/A THR 132.A OG1 ASP 128.A OD2 no hydrogen 3.556 N/A TYR 133.A N PHE 129.A O no hydrogen 3.118 N/A TYR 134.A N ILE 130.A O no hydrogen 2.834 N/A TYR 134.A OH HIS 62.A O no hydrogen 2.645 N/A LEU 135.A N ILE 130.A O no hydrogen 3.200 N/A SER 136.A OG.B GLU 131.A O no hydrogen 3.150 N/A GLU 137.A N GLU 137.A OE1.A no hydrogen 2.489 N/A GLN 138.A N TYR 134.A O no hydrogen 2.963 N/A GLN 138.A NE2 GLU 104.A O no hydrogen 2.569 N/A VAL 139.A N LEU 135.A O no hydrogen 3.288 N/A VAL 139.A N SER 136.A O no hydrogen 3.211 N/A LYS 140.A N SER 136.A O no hydrogen 3.242 N/A LYS 140.A NZ SER 136.A OG.A no hydrogen 3.297 N/A SER 141.A N GLU 137.A O no hydrogen 3.027 N/A SER 141.A OG GLU 137.A O no hydrogen 3.204 N/A ILE 142.A N GLN 138.A O no hydrogen 3.343 N/A LYS 143.A N VAL 139.A O no hydrogen 3.138 N/A GLU 144.A N LYS 140.A O no hydrogen 3.119 N/A LEU 145.A N SER 141.A O no hydrogen 3.014 N/A GLY 146.A N ILE 142.A O no hydrogen 2.866 N/A ASP 147.A N LYS 143.A O no hydrogen 2.957 N/A HIS 148.A N GLU 144.A O no hydrogen 2.904 N/A HIS 148.A NE2 GLU 144.A OE2 no hydrogen 3.136 N/A VAL 149.A N LEU 145.A O no hydrogen 2.960 N/A THR 150.A N GLY 146.A O no hydrogen 3.106 N/A THR 150.A OG1 GLY 146.A O no hydrogen 3.100 N/A ASN 151.A N ASP 147.A O no hydrogen 3.004 N/A LEU 152.A N HIS 148.A O no hydrogen 3.118 N/A ARG 153.A N VAL 149.A O no hydrogen 3.112 N/A ARG 153.A NH2.A GLU 98.A OE2 no hydrogen 3.212 N/A LYS 154.A N THR 150.A O no hydrogen 3.024 N/A MET 155.A N ASN 151.A O no hydrogen 2.973 N/A GLY 156.A N LEU 152.A O no hydrogen 3.193 N/A GLY 156.A N ARG 153.A O no hydrogen 3.145 N/A ALA 157.A N LEU 152.A O no hydrogen 3.112 N/A ALA 160.A N GLY 156.A O no hydrogen 2.953 N/A LEU 166.A N MET 162.A O no hydrogen 2.985 N/A PHE 167.A N ALA 163.A O no hydrogen 2.900 N/A ASP 168.A N GLU 164.A O no hydrogen 2.765 N/A LYS 169.A N LEU 166.A O no hydrogen 3.235 N/A LYS 169.A NZ.B TYR 165.A O no hydrogen 3.090 N/A LYS 169.A NZ.B ASP 168.A OD2 no hydrogen 3.012 N/A HIS 170.A N LEU 166.A O no hydrogen 2.981 N/A THR 171.A N PHE 167.A O no hydrogen 3.056 N/A LEU 172.A N PHE 167.A O no hydrogen 3.359 N/A