A0A096NJW3_PAPAN Loading...

Beta-1,3-N-acetylglucosaminyltransferase

AlphaFold DB , UniProt , Accession A0A096NJW3, Species PAPAN (Papio anubis, Olive baboon), Gene MFNG, Length 321 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.8Very low50.5Low245 Ų245146.1 Ų146.1100%1.20778%0.779SS**  097.30-72.4165.578.400107.4
2Q41.2Very low51.1Low192 Ų192138.5 Ų138.590%0.89775%0.752SS**  trans-100126-167.1-80.4166.4-28.800110.9R4Q2-R4 PolarHBondContact O-N 3.11Å
3C41.5Very low51.7Low128 Ų128136.2 Ų136.287%0.86574%0.737SS**  trans-54.7120177.1-820000112.3
4R48.3Very low52.2Low245 Ų245135.3 Ų135.393%0.92573%0.731SS**  trans-95.5112.3163.9-72-173.2176.1-168.7-0.3108.7Q2Q2-R4 PolarHBondContact O-N 3.11Å
5L52.7Low52.8Low156 Ų156132.2 Ų132.282%0.81772%0.719SS**  trans-63.1142.5169.5-97.594000110.7R7L5-R7 PolarHBondContact O-N 3.41Å
6P53.3Low53.5Low96 Ų96132.1 Ų132.162%0.62372%0.717SS**  trans-78.1119.2-179.330.9-30.9000110.7G8P6-G8 PolarHBondContact O-N 3.04Å
7R56.3Low54.2Low246 Ų246130.5 Ų130.593%0.92871%0.707SS**THydrogen-bonded Turntrans-63.58.4175.3-85.2176.1162.1168.3-6115.3L5L5-R7 PolarHBondContact O-N 3.41Å
8G55Low54.6Low57 Ų57127 Ų12759%0.58869%0.693SS**THydrogen-bonded Turntrans-88.8-24.4-176.300000115.5P6P6-G8 PolarHBondContact O-N 3.04Å
9L53.7Low55.1Low123 Ų123126.8 Ų126.864%0.64469%0.688SS**Hα-helixtrans-80.7-28.3-175.9-90.9142.1000113.5L13L9-L13 PolarHBondContact O-N 2.79Å
10A55.4Low55.6Low76 Ų76122.6 Ų122.663%0.62868%0.676SS**Hα-helixtrans-71.8-32.1179.400000112.9L14A10-L14 PolarHBondContact O-N 2.75Å
11G54.3Low56.1Low43 Ų43121.5 Ų121.544%0.44367%0.668SS.*Hα-helixtrans-72.9-37.6179.700000113.6L14 T15G11-L14 PolarHBondContact O-N 2.94Å; G11-T15 PolarHBondContact O-N 2.8Å; G11-T15 PolarHBondContact O-OG1 2.83Å
12A57.6Low56.9Low55 Ų55115.1 Ų115.146%0.45564%0.638SS.*Hα-helixtrans-73.8-32.117900000113T15 L16A12-T15 PolarHBondContact O-OG1 2.94Å; A12-T15 VanDerWaalsContact O-OG1 3.06Å; A12-L16 PolarHBondContact O-N 3.11Å
13L58.6Low57.8Low108 Ų108109.4 Ų109.457%0.56562%0.619SS**Hα-helixtrans-68.8-36.4173.6-106.1122.6000112.1L9 L17L9-L13 PolarHBondContact O-N 2.79Å; L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 2.86Å; L13-L17 VanDerWaalsContact O-N 3.09Å
14L59.6Low58.7Low124 Ų124108.5 Ų108.565%0.64961%0.605SS**Hα-helixtrans-69-37.7-179.7-153.580.1000112.2A10 G11 C18A10-L14 PolarHBondContact O-N 2.75Å; G11-L14 PolarHBondContact O-N 2.94Å; L14-C18 PolarHBondContact O-N 2.84Å; L14-C18 PolarHBondContact O-SG 3.11Å
15T60.4Low59.1Low89 Ų89105.7 Ų105.755%0.54659%0.594SS.*Hα-helixtrans-71.8-38.4178.246.80000112.6G11 A12 C18 M19G11-T15 PolarHBondContact O-N 2.8Å; G11-T15 PolarHBondContact O-OG1 2.83Å; A12-T15 PolarHBondContact O-OG1 2.94Å; A12-T15 VanDerWaalsContact O-OG1 3.06Å; T15-C18 PolarHBondContact O-N 3.25Å; T15-M19 WeakPolarHBondContact O-CG 3.31Å; T15-M19 PolarHBondContact O-N 2.85Å
16L64.1Low59.4Low131 Ų131106.3 Ų106.369%0.68659%0.587SS**Hα-helixtrans-65.9-37.4173.7-77.6164.2000112.2A12 G20A12-L16 PolarHBondContact O-N 3.11Å; L16-G20 PolarHBondContact O-N 3.28Å
17L66.1Low59.5Low104 Ų104108.3 Ų108.355%0.54559%0.588SS.*Hα-helixtrans-66.3-41.9174.3-116.7128.4000112.3L13 G20 L21L13-L17 WeakPolarHBondContact O-CB 3.45Å; L13-L17 PolarHBondContact O-N 2.86Å; L13-L17 VanDerWaalsContact O-N 3.09Å; L17-G20 PolarHBondContact O-N 2.77Å; L17-L21 HydrophobicContact CD2-CD1 4.33Å; L17-L21 WeakPolarHBondContact O-CB 3.27Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.39Å
18C61.4Low59.4Low68 Ų68102.5 Ų102.546%0.45957%0.574SS.*Hα-helixtrans-64.6-41.2176.6-77.90000112.4L14 T15 L21 L22L14-C18 PolarHBondContact O-N 2.84Å; L14-C18 PolarHBondContact O-SG 3.11Å; T15-C18 PolarHBondContact O-N 3.25Å; C18-L21 PolarHBondContact O-N 3.33Å; C18-L22 WeakPolarHBondContact O-CB 3.26Å; C18-L22 WeakPolarHBondContact O-CD1 3.48Å; C18-L22 WeakPolarHBondContact O-CG 3.41Å; C18-L22 PolarHBondContact O-N 3.42Å
19M64Low59.1Low124 Ų124106.7 Ų106.761%0.61158%0.583SS**Hα-helixtrans-68.7-38175.8-70.7-63.3-72.300112.1T15 L22 C23T15-M19 WeakPolarHBondContact O-CG 3.31Å; T15-M19 PolarHBondContact O-N 2.85Å; M19-L22 PolarHBondContact O-N 3.46Å; M19-L22 HydrophobicContact SD-CD1 4.46Å; M19-C23 PolarHBondContact O-N 3.26Å
20G65.6Low58.7Low42 Ų42106.4 Ų106.443%0.43358%0.582SS.*Hα-helixtrans-62.9-41.9173.200000112.9L16 L17 C23 L24L16-G20 PolarHBondContact O-N 3.28Å; L17-G20 PolarHBondContact O-N 2.77Å; G20-C23 PolarHBondContact O-N 2.99Å; G20-L24 WeakPolarHBondContact O-CB 3.48Å; G20-L24 PolarHBondContact O-N 2.76Å
21L64.7Low58Low100 Ų100106.9 Ų106.952%0.52458%0.58SS.*Hα-helixtrans-68.1-35.2175.8-74.6166.7000112.7L17 C18 R25L17-L21 HydrophobicContact CD2-CD1 4.33Å; L17-L21 WeakPolarHBondContact O-CB 3.27Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.37Å; L17-L21 PolarHBondContact O-N 3.39Å; C18-L21 PolarHBondContact O-N 3.33Å; L21-R25 WeakPolarHBondContact O-CB 3.42Å; L21-R25 WeakPolarHBondContact O-CG 3.49Å; L21-R25 PolarHBondContact O-N 2.89Å
22L61.3Low57.4Low110 Ų110110.5 Ų110.558%0.57660%0.596SS**Hα-helixtrans-68.3-43.3174.1-84156.7000111.7C18 M19 R25 Y26C18-L22 WeakPolarHBondContact O-CB 3.26Å; C18-L22 WeakPolarHBondContact O-CD1 3.48Å; C18-L22 WeakPolarHBondContact O-CG 3.41Å; C18-L22 PolarHBondContact O-N 3.42Å; M19-L22 PolarHBondContact O-N 3.46Å; M19-L22 HydrophobicContact SD-CD1 4.46Å; L22-R25 PolarHBondContact O-N 3.4Å; L22-Y26 WeakPolarHBondContact O-CB 3.31Å; L22-Y26 PolarHBondContact O-N 3.43Å
23C60.5Low56.5Low72 Ų72116 Ų11649%0.48661%0.613SS.*Hα-helixtrans-66-38.6173.8-84.80000112.5M19 G20 Y26 H27M19-C23 PolarHBondContact O-N 3.26Å; G20-C23 PolarHBondContact O-N 2.99Å; C23-Y26 PolarHBondContact O-N 3.37Å; C23-H27 PolarHBondContact O-CD2 3.42Å; C23-H27 PolarHBondContact O-N 3.09Å
24L59.8Low55.5Low109 Ų109122.3 Ų122.357%0.57163%0.629SS**Hα-helixtrans-67.4-38.6176.5-15582000111.4G20 H27 L28G20-L24 WeakPolarHBondContact O-CB 3.48Å; G20-L24 PolarHBondContact O-N 2.76Å; L24-H27 PolarHBondContact O-N 3.38Å; L24-L28 HydrophobicContact CD2-CD1 4.17Å; L24-L28 HydrophobicContact CG-CD1 4.04Å; L24-L28 VanDerWaalsContact O-CB 3.26Å; L24-L28 WeakPolarHBondContact O-CB 3.34Å; L24-L28 WeakPolarHBondContact O-CD1 3Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.31Å; L24-L28 PolarHBondContact O-N 3.44Å
25R57.7Low54.4Low187 Ų187121.1 Ų121.171%0.70663%0.627SS**Hα-helixtrans-64.6-37.9170.7-83.6-174.7174.5-167.8-0.9112.5L21 L22 N29L21-R25 WeakPolarHBondContact O-CB 3.42Å; L21-R25 WeakPolarHBondContact O-CG 3.49Å; L21-R25 PolarHBondContact O-N 2.89Å; L22-R25 PolarHBondContact O-N 3.4Å; R25-N29 WeakPolarHBondContact O-CB 3.4Å; R25-N29 PolarHBondContact O-N 3.06Å
26Y58.1Low53.3Low169 Ų169125.5 Ų125.566%0.66364%0.641SS**Hα-helixtrans-66.7-41.2177.2-153.9-94.6000111.4L22 C23 L30L22-Y26 WeakPolarHBondContact O-CB 3.31Å; L22-Y26 PolarHBondContact O-N 3.43Å; C23-Y26 PolarHBondContact O-N 3.37Å; Y26-L30 HydrophobicContact CD1-CD1 3.91Å; Y26-L30 HydrophobicContact CE1-CD1 3.75Å; Y26-L30 WeakPolarHBondContact O-CD1 3.27Å; Y26-L30 PolarHBondContact O-N 3.07Å
27H55.2Low52.1Low138 Ų138127.2 Ų127.264%0.63965%0.645SS**Hα-helixtrans-76.7-32.2177.4-80.1-63.6000114C23 L24 N29 L30C23-H27 PolarHBondContact O-CD2 3.42Å; C23-H27 PolarHBondContact O-N 3.09Å; L24-H27 PolarHBondContact O-N 3.38Å; H27-N29 VanDerWaalsContact C-N 3.34Å; H27-L30 CarbonylContact O-C 3.59Å; H27-L30 PolarHBondContact O-N 3.14Å
28L54.1Low51Low123 Ų123127.9 Ų127.964%0.64465%0.654SS**Hα-helixtrans-70.8-29.2172.7-76.1163.3000112.4L24 L30L24-L28 HydrophobicContact CD2-CD1 4.17Å; L24-L28 HydrophobicContact CG-CD1 4.04Å; L24-L28 VanDerWaalsContact O-CB 3.26Å; L24-L28 WeakPolarHBondContact O-CB 3.34Å; L24-L28 WeakPolarHBondContact O-CD1 3Å; L24-L28 VanDerWaalsContact O-CG 3.27Å; L24-L28 WeakPolarHBondContact O-CG 3.31Å; L24-L28 PolarHBondContact O-N 3.44Å; L28-L30 VanDerWaalsContact C-N 3.31Å
29N48.5Very low50Low145 Ų145130.5 Ų130.578%0.77567%0.67SS**THydrogen-bonded Turntrans-80.3-8.4171.6-83.5-20.8000113.8R25 H27R25-N29 WeakPolarHBondContact O-CB 3.4Å; R25-N29 PolarHBondContact O-N 3.06Å; H27-N29 VanDerWaalsContact C-N 3.34Å
30L45.2Very low49.2Very low117 Ų117133.4 Ų133.461%0.61368%0.682SS**THydrogen-bonded Turntrans-104.540.5172.2-100.9108000111.4Y26 H27 L28Y26-L30 HydrophobicContact CD1-CD1 3.91Å; Y26-L30 HydrophobicContact CE1-CD1 3.75Å; Y26-L30 WeakPolarHBondContact O-CD1 3.27Å; Y26-L30 PolarHBondContact O-N 3.07Å; H27-L30 CarbonylContact O-C 3.59Å; H27-L30 PolarHBondContact O-N 3.14Å; L28-L30 VanDerWaalsContact C-N 3.31Å
31S42.1Very low48.2Very low86 Ų86138.9 Ų138.960%0.60170%0.701SS**  trans-94.2116.4160.1-172.40000107.9Q33S31-Q33 PolarHBondContact O-N 3.18Å
32P40.2Very low47.6Very low119 Ų119139.5 Ų139.577%0.77371%0.713SS**  trans-71100.4174.219.9-14.4000107.9R34P32-R34 PolarHBondContact O-N 2.86Å
33Q38.5Very low47.3Very low172 Ų172142.7 Ų142.780%0.80473%0.725SS**  trans-61.8108156.6-85.1-173.2-35.800106.3S31 V35S31-Q33 PolarHBondContact O-N 3.18Å; Q33-V35 HydrophobicContact CB-CG2 4.39Å; Q33-V35 PolarHBondContact O-N 3Å
34R39.2Very low47Very low239 Ų239144.8 Ų144.890%0.90274%0.738SS**  trans-64.581163.6-177.4-178.6-81.4177.8-5.7107P32 Q36P32-R34 PolarHBondContact O-N 2.86Å; R34-Q36 PolarHBondContact O-N 3.26Å
35V35.4Very low46.9Very low100 Ų100144.7 Ų144.761%0.60675%0.746SS**  trans-70.5117.7158.9-179.90000104.6Q33 E37Q33-V35 HydrophobicContact CB-CG2 4.39Å; Q33-V35 PolarHBondContact O-N 3Å; V35-E37 HydrophobicContact CG1-CG 4.29Å; V35-E37 PolarHBondContact O-N 3.22Å
36Q38.2Very low47.2Very low180 Ų180141.9 Ų141.984%0.84175%0.752SS**  trans-73.378.7173.8-160.6162.4-13.400106.4R34 T38R34-Q36 PolarHBondContact O-N 3.26Å; Q36-T38 PolarHBondContact O-N 2.79Å; Q36-T38 VanDerWaalsContact O-N 3.11Å
37E38.8Very low47.4Very low167 Ų167136.4 Ų136.478%0.7875%0.747SS**  trans-62.8108.9165.1-77.5-179169.500106.5V35V35-E37 HydrophobicContact CG1-CG 4.29Å; V35-E37 PolarHBondContact O-N 3.22Å
38T41.8Very low48.1Very low118 Ų118134.1 Ų134.172%0.72475%0.745SS**  trans-42.5131.6154.511.90000107.7Q36 E40Q36-T38 PolarHBondContact O-N 2.79Å; Q36-T38 VanDerWaalsContact O-N 3.11Å; T38-E40 VanDerWaalsContact C-N 3.29Å; T38-E40 PolarHBondContact O-N 3.03Å
39P41.9Very low49.4Very low124 Ų124133.3 Ų133.381%0.80575%0.747SS**  trans-64.197.3177.426.1-31.3000107.5L41P39-L41 VanDerWaalsContact C-N 3.29Å; P39-L41 PolarHBondContact O-N 2.81Å
40E46.3Very low51.3Low184 Ų184132.1 Ų132.186%0.8674%0.737SS**  trans-60.1105.9158.7-84.5-167.716100104.9T38 S42T38-E40 VanDerWaalsContact C-N 3.29Å; T38-E40 PolarHBondContact O-N 3.03Å; E40-S42 VanDerWaalsContact C-N 3.26Å; E40-S42 PolarHBondContact O-N 3.31Å
41L45.4Very low53.7Low158 Ų158127 Ų12783%0.82771%0.71SS**  trans-53.198.9169.2-166.280.1000105.7P39 Q43P39-L41 VanDerWaalsContact C-N 3.29Å; P39-L41 PolarHBondContact O-N 2.81Å; L41-Q43 PolarHBondContact O-N 3.23Å
42S50.7Low56.2Low112 Ų112126.2 Ų126.278%0.78370%0.697SS**  trans-53.1106.9174.419.80000106.1E40 P44E40-S42 VanDerWaalsContact C-N 3.26Å; E40-S42 PolarHBondContact O-N 3.31Å; S42-P44 VanDerWaalsContact O-N 3.14Å
43Q56.4Low58.9Low178 Ų178123 Ų12383%0.83267%0.672SS**  trans-55.7126.5177.2-73.6-165.3-34.200106L41 S45L41-Q43 PolarHBondContact O-N 3.23Å; Q43-S45 PolarHBondContact O-N 3.44Å; Q43-S45 VanDerWaalsContact O-N 3.11Å
44P52.5Low61.7Low116 Ų116120.3 Ų120.375%0.75366%0.66SS**  trans-54.3128175.520.8-29.4000106.8S42S42-P44 VanDerWaalsContact O-N 3.14Å
45S59.2Low64.4Low106 Ų106110.1 Ų110.174%0.74162%0.623SS**  trans-41.4129.7171.8-56.60000107.7Q43 G47Q43-S45 PolarHBondContact O-N 3.44Å; Q43-S45 VanDerWaalsContact O-N 3.11Å; S45-G47 PolarHBondContact O-N 3.26Å
46P63.1Low67.5Low128 Ų128105.3 Ų105.383%0.83159%0.594SS**PPolyproline II helixtrans-49.9123.8179.4-13.617.3000107.1
47G63.6Low70.3Confident54 Ų5496.8 Ų96.856%0.55755%0.554SS**PPolyproline II helixtrans-52.8162.9175.100000109.7S45S45-G47 PolarHBondContact O-N 3.26Å
48P70.1Confident73.2Confident91 Ų9188.9 Ų88.959%0.59152%0.517SS*.SBendtrans-49.5138.1177.9-23.733.3000110E50 L161P48-E50 PolarHBondContact O-N 3.31Å; P48-L161 HydrophobicContact CB-CD1 3.64Å; P48-L161 HydrophobicContact CG-CD1 3.57Å
49P79.3Confident75.9Confident105 Ų10583.2 Ų83.268%0.68248%0.483SS*.PPolyproline II helixtrans-53.6135.9-176.718.4-29.5000110.6L51 R136P49-L51 PolarHBondContact O-N 3.13Å; P49-R136 PolarHBondContact O-NH1 3.03Å; P49-R136 VanDerWaalsContact O-NH1 3.17Å
50E89.5Confident78.6Confident121 Ų12177.3 Ų77.357%0.56544%0.444SS*.PPolyproline II helixtrans-54.9130.8179.3-173.5-173.8179.100109.3P48 Q52 R157P48-E50 PolarHBondContact O-N 3.31Å; E50-Q52 WeakPolarHBondContact O-CG 3.48Å; E50-Q52 PolarHBondContact O-N 3.45Å; E50-Q52 PolarHBondContact O-NE2 2.96Å; E50-R157 IonicContact OE1-CZ 3.03Å; E50-R157 IonicContact OE1-NE 3.61Å; E50-R157 PolarHBondContact OE1-NE 3.25Å; E50-R157 IonicContact OE1-NH1 3.92Å; E50-R157 PolarHBondContact OE1-NH1 3.13Å; E50-R157 IonicContact OE1-NH2 3.53Å
51L94.8Very high81.1Confident9 Ų969 Ų695%0.04741%0.405CS..PPolyproline II helixtrans-55.1126.7-179.6-17872.8000110.7P49 D55 W137 L153 L156 R157P49-L51 PolarHBondContact O-N 3.13Å; L51-D55 WeakPolarHBondContact CA-OD2 3.36Å; L51-D55 HydrophobicContact CD1-CB 3.43Å; L51-D55 VanDerWaalsContact CD1-CB 3.43Å; L51-D55 HydrophobicContact CG-CB 4.47Å; L51-W137 VanDerWaalsContact CD1-CD1 3.44Å; L51-L153 HydrophobicContact CD2-CD1 4.09Å; L51-L153 HydrophobicContact CG-CD1 3.97Å; L51-L156 HydrophobicContact CD2-CB 3.51Å; L51-R157 HydrophobicContact CB-CG 3.94Å; L51-R157 HydrophobicContact CD2-CG 4.17Å; L51-R157 PolarHBondContact O-NE 3.34Å; L51-R157 PolarHBondContact O-NH2 2.99Å
52Q96.3Very high83.7Confident70 Ų7061.7 Ų61.733%0.32737%0.367SS..  trans-116.2171.5175.6-59.3-56.9-32.500111.2E50 H54 D55 R157E50-Q52 WeakPolarHBondContact O-CG 3.48Å; E50-Q52 PolarHBondContact O-N 3.45Å; E50-Q52 PolarHBondContact O-NE2 2.96Å; Q52-H54 VanDerWaalsContact C-N 3.26Å; Q52-H54 VanDerWaalsContact CB-CE1 3.44Å; Q52-H54 WeakPolarHBondContact CB-CE1 3.37Å; Q52-H54 PolarHBondContact O-N 3.46Å; Q52-D55 PolarHBondContact N-OD2 2.89Å; Q52-D55 VanDerWaalsContact O-CB 3.31Å; Q52-D55 WeakPolarHBondContact O-CB 3.4Å; Q52-D55 PolarHBondContact O-N 3.33Å; Q52-D55 VanDerWaalsContact O-N 3.1Å; Q52-R157 VanDerWaalsContact OE1-NH2 3.09Å
53L95.8Very high85.9Confident50 Ų5057.4 Ų57.426%0.26234%0.336SS..G310 helixtrans-60-35.3176.8-79.1174.5000112.8D55 V56 Q85 P149 L153L53-D55 PolarHBondContact O-N 2.89Å; L53-V56 WeakPolarHBondContact O-CB 3.41Å; L53-V56 PolarHBondContact O-N 3.05Å; L53-Q85 HydrophobicContact CB-CG 4.48Å; L53-Q85 WeakPolarHBondContact O-CG 3.18Å; L53-P149 HydrophobicContact CD1-CB 4.12Å; L53-P149 HydrophobicContact CD2-CB 3.86Å; L53-L153 HydrophobicContact CD2-CB 4.16Å; L53-L153 HydrophobicContact CG-CD2 4.17Å
54H96.8Very high87.9Confident117 Ų11757 Ų5754%0.54233%0.327SS..G310 helixtrans-64.2-13178.264.9-110.5000113.8Q52 V56 L135Q52-H54 VanDerWaalsContact C-N 3.26Å; Q52-H54 VanDerWaalsContact CB-CE1 3.44Å; Q52-H54 WeakPolarHBondContact CB-CE1 3.37Å; Q52-H54 PolarHBondContact O-N 3.46Å; H54-V56 VanDerWaalsContact C-N 3.29Å; H54-L135 VanDerWaalsContact O-CD2 3.25Å; H54-L135 WeakPolarHBondContact O-CD2 3.45Å
55D97.4Very high90Very high24 Ų2454.7 Ų54.713%0.12832%0.318CS..G310 helixtrans-83.4-4.5173.5-67.1-52000113.3L51 Q52 L53 R136 W137L51-D55 WeakPolarHBondContact CA-OD2 3.36Å; L51-D55 HydrophobicContact CD1-CB 3.43Å; L51-D55 VanDerWaalsContact CD1-CB 3.43Å; L51-D55 HydrophobicContact CG-CB 4.47Å; Q52-D55 PolarHBondContact N-OD2 2.89Å; Q52-D55 VanDerWaalsContact O-CB 3.31Å; Q52-D55 WeakPolarHBondContact O-CB 3.4Å; Q52-D55 PolarHBondContact O-N 3.33Å; Q52-D55 VanDerWaalsContact O-N 3.1Å; L53-D55 PolarHBondContact O-N 2.89Å; D55-R136 HydrophobicContact CB-CB 4.18Å; D55-R136 HydrophobicContact CB-CG 4.3Å; D55-R136 PolarHBondContact O-N 3.25Å; D55-R136 WeakPolarHBondContact OD1-CD 3.41Å; D55-R136 IonicContact OD2-NH1 3.62Å; D55-W137 PolarHBondContact O-N 2.9Å
56V98.6Very high91.9Very high0 Ų052.5 Ų52.50%030%0.295CS..EExtended strand (participates in β ladder)trans-109.5125.2-173.4-172.40000110.1L53 H54 I58 Q85 W137 L152 L156L53-V56 WeakPolarHBondContact O-CB 3.41Å; L53-V56 PolarHBondContact O-N 3.05Å; H54-V56 VanDerWaalsContact C-N 3.29Å; V56-I58 HydrophobicContact CG1-CG1 4.03Å; V56-Q85 VanDerWaalsContact O-CB 3.28Å; V56-Q85 WeakPolarHBondContact O-CB 3.45Å; V56-Q85 WeakPolarHBondContact O-CG 3.48Å; V56-W137 HydrophobicContact CG1-CB 4.36Å; V56-W137 HydrophobicContact CG2-CB 4.35Å; V56-L152 HydrophobicContact CG1-CD2 4.17Å; V56-L156 HydrophobicContact CG1-CD1 4.26Å; V56-L156 HydrophobicContact CG2-CD1 3.91Å
57F98.9Very high93.6Very high0 Ų046.6 Ų46.60%026%0.256CS..EExtended strand (participates in β ladder)trans-97.9118.2170.4-171.8-82.4000108.9A59 F87 F89 T129 F130 L135 W137 F138 C139F57-A59 HydrophobicContact CD1-CB 4.39Å; F57-A59 HydrophobicContact CE1-CB 3.98Å; F57-F87 AromaticContact CD2-CD2 3.62Å; F57-F87 HydrophobicContact CD2-CD2 3.62Å; F57-F87 AromaticContact CD2-CE2 3.63Å; F57-F87 HydrophobicContact CD2-CE2 3.63Å; F57-F87 HydrophobicContact CD2-CG 4.42Å; F57-F87 HydrophobicContact CD2-CZ 4.41Å; F57-F87 HydrophobicContact CE1-CB 4.16Å; F57-F87 HydrophobicContact CE1-CD2 4.2Å; F57-F87 HydrophobicContact CE1-CG 4.35Å; F57-F87 HydrophobicContact CE2-CB 4.23Å; F57-F87 HydrophobicContact CE2-CD1 4.05Å; F57-F87 AromaticContact CE2-CD2 3.18Å; F57-F87 HydrophobicContact CE2-CD2 3.18Å; F57-F87 HydrophobicContact CE2-CE1 4.21Å; F57-F87 AromaticContact CE2-CE2 3.39Å; F57-F87 HydrophobicContact CE2-CE2 3.39Å; F57-F87 AromaticContact CE2-CG 3.55Å; F57-F87 HydrophobicContact CE2-CG 3.55Å; F57-F87 AromaticContact CE2-CZ 3.91Å; F57-F87 HydrophobicContact CE2-CZ 3.91Å; F57-F87 HydrophobicContact CG-CD2 4.29Å; F57-F87 HydrophobicContact CZ-CB 3.66Å; F57-F87 HydrophobicContact CZ-CD1 4.17Å; F57-F87 AromaticContact CZ-CD2 3.51Å; F57-F87 HydrophobicContact CZ-CD2 3.51Å; F57-F87 HydrophobicContact CZ-CE2 4.19Å; F57-F87 AromaticContact CZ-CG 3.5Å; F57-F87 HydrophobicContact CZ-CG 3.5Å; F57-F89 HydrophobicContact CE1-CE2 4.14Å; F57-F89 HydrophobicContact CE1-CZ 4.31Å; F57-F89 HydrophobicContact CZ-CE2 4.18Å; F57-F89 HydrophobicContact CZ-CZ 4.04Å; F57-T129 HydrophobicContact CE2-CG2 4.01Å; F57-T129 HydrophobicContact CZ-CG2 3.72Å; F57-F130 HydrophobicContact CB-CD2 3.59Å; F57-F130 HydrophobicContact CB-CE2 4.17Å; F57-F130 HydrophobicContact CD1-CB 4.02Å; F57-F130 HydrophobicContact CD1-CD2 4.31Å; F57-F130 HydrophobicContact CD2-CD2 4.49Å; F57-F130 HydrophobicContact CE1-CB 4.2Å; F57-F130 HydrophobicContact CG-CB 4.26Å; F57-F130 AromaticContact CG-CD2 3.91Å; F57-F130 HydrophobicContact CG-CD2 3.91Å; F57-L135 HydrophobicContact CB-CB 4.33Å; F57-L135 HydrophobicContact CB-CD1 3.95Å; F57-L135 HydrophobicContact CD2-CD1 4.22Å; F57-W137 WeakPolarHBondContact CB-O 3.19Å; F57-W137 PolarHBondContact N-O 2.85Å; F57-F138 AromaticContact CD1-CD2 3.79Å; F57-F138 HydrophobicContact CD1-CD2 3.79Å; F57-F138 HydrophobicContact CD1-CE2 4.15Å; F57-F138 HydrophobicContact CE1-CD2 4.33Å; F57-F138 HydrophobicContact CE1-CE2 4.28Å; F57-F138 CarbonylContact O-C 3.57Å; F57-C139 PolarHBondContact O-N 3.42Å
58I98.9Very high95.2Very high1 Ų153.1 Ų53.11%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-106.7114.1177.4-54.9172.8000108.5V56 W78 T82 Q85 T86 F87 C139 V141 V147 L152V56-I58 HydrophobicContact CG1-CG1 4.03Å; I58-W78 HydrophobicContact CD1-CZ3 4.44Å; I58-W78 HydrophobicContact CG2-CH2 3.88Å; I58-W78 HydrophobicContact CG2-CZ3 4.03Å; I58-T82 HydrophobicContact CD1-CG2 4.38Å; I58-Q85 HydrophobicContact CD1-CB 4.37Å; I58-Q85 HydrophobicContact CG1-CB 4.5Å; I58-Q85 PolarHBondContact N-O 3.02Å; I58-T86 CarbonylContact O-C 3.49Å; I58-T86 WeakPolarHBondContact O-CA 3.31Å; I58-F87 PolarHBondContact O-N 2.82Å; I58-C139 CarbonylContact C-O 3.42Å; I58-C139 WeakPolarHBondContact CA-O 3.32Å; I58-V141 HydrophobicContact CG2-CG2 4.22Å; I58-V147 HydrophobicContact CD1-CG1 4.48Å; I58-L152 HydrophobicContact CD1-CD2 4.24Å
59A98.9Very high96.4Very high0 Ų055 Ų550%027%0.269CS..EExtended strand (participates in β ladder)trans-95.4125174.900000110.4F57 F87 F89 E126 F138 C139 V141F57-A59 HydrophobicContact CD1-CB 4.39Å; F57-A59 HydrophobicContact CE1-CB 3.98Å; A59-F87 WeakPolarHBondContact CA-O 3.49Å; A59-F89 HydrophobicContact CB-CD2 4.18Å; A59-F89 HydrophobicContact CB-CE2 3.92Å; A59-E126 HydrophobicContact CB-CB 4.06Å; A59-E126 HydrophobicContact CB-CG 3.89Å; A59-E126 VanDerWaalsContact CB-OE2 3.28Å; A59-E126 WeakPolarHBondContact CB-OE2 3.42Å; A59-F138 HydrophobicContact CB-CE2 3.64Å; A59-F138 HydrophobicContact CB-CZ 4.09Å; A59-C139 PolarHBondContact N-O 3.06Å; A59-V141 PolarHBondContact O-N 3.34Å
60V98.9Very high97.3Very high0 Ų052.7 Ų52.70%025%0.246CC..EExtended strand (participates in β ladder)trans-107116.3172-178.30000108.5L71 L74 W78 T86 F87 V88 F89 V141 D143V60-L71 HydrophobicContact CG1-CD1 4.31Å; V60-L74 HydrophobicContact CG1-CD1 4.18Å; V60-W78 HydrophobicContact CG2-CH2 3.51Å; V60-W78 HydrophobicContact CG2-CZ2 3.77Å; V60-T86 HydrophobicContact CG2-CG2 3.66Å; V60-F87 PolarHBondContact N-O 2.67Å; V60-V88 HydrophobicContact CB-CG2 4.29Å; V60-V88 WeakPolarHBondContact O-CA 3.29Å; V60-F89 PolarHBondContact O-N 2.68Å; V60-V141 WeakPolarHBondContact CA-O 3.33Å; V60-V141 HydrophobicContact CG2-CG2 3.84Å; V60-D143 HydrophobicContact CG1-CB 4.37Å
61K98.8Very high97.7Very high9 Ų947 Ų474%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-85.8129173.7-170.4-174.9-72.5980110.1L119 K122 E126 H140 V141 D143 D231K61-L119 HydrophobicContact CD-CD2 3.93Å; K61-K122 HydrophobicContact CD-CB 4.15Å; K61-K122 HydrophobicContact CD-CD 4.31Å; K61-K122 HydrophobicContact CG-CB 4.21Å; K61-K122 HydrophobicContact CG-CD 3.93Å; K61-E126 WeakPolarHBondContact CB-OE1 3.34Å; K61-E126 WeakPolarHBondContact CE-OE1 3.38Å; K61-E126 IonicContact NZ-OE1 2.69Å; K61-E126 PolarHBondContact NZ-OE1 2.83Å; K61-H140 PolarHBondContact NZ-CE1 3.37Å; K61-V141 PolarHBondContact N-O 3.21Å; K61-D143 WeakPolarHBondContact O-CB 3.42Å; K61-D143 PolarHBondContact O-N 3.17Å; K61-D143 VanDerWaalsContact O-N 3.16Å; K61-D231 WeakPolarHBondContact CE-OD2 3.31Å; K61-D231 IonicContact NZ-OD2 2.72Å; K61-D231 PolarHBondContact NZ-OD2 3.34Å
62T98.6Very high97.8Very high5 Ų550.5 Ų50.53%0.03124%0.236CC..  trans-144.9-179.9174.8-165.50000111.7L71 V88 F89 K122 D143T62-L71 HydrophobicContact CG2-CD2 4.33Å; T62-V88 HydrophobicContact CG2-CG1 3.7Å; T62-F89 PolarHBondContact N-O 3.04Å; T62-K122 WeakPolarHBondContact O-CE 3.43Å; T62-D143 WeakPolarHBondContact CA-OD2 3.36Å; T62-D143 WeakPolarHBondContact CB-OD2 3.48Å; T62-D143 PolarHBondContact OG1-OD2 3.28Å
63T98.3Very high97.9Very high21 Ų2148.2 Ų48.213%0.12923%0.226CC..  trans-138160.4172.7-178.80000110.4A65 F66 H67 D91T63-A65 HydrophobicContact CG2-CB 4.1Å; T63-A65 PolarHBondContact O-N 2.89Å; T63-F66 HydrophobicContact CG2-CD2 3.54Å; T63-F66 HydrophobicContact CG2-CE2 4.01Å; T63-F66 HydrophobicContact CG2-CG 4.27Å; T63-F66 PolarHBondContact O-N 2.78Å; T63-H67 PolarHBondContact O-CD2 2.98Å; T63-H67 PolarHBondContact O-N 2.97Å; T63-D91 VanDerWaalsContact CA-OD2 3.22Å; T63-D91 WeakPolarHBondContact CA-OD2 3.19Å; T63-D91 WeakPolarHBondContact CB-OD2 3.17Å; T63-D91 VanDerWaalsContact OG1-CG 3.28Å; T63-D91 PolarHBondContact OG1-OD1 3.46Å; T63-D91 PolarHBondContact OG1-OD2 3.09Å
64R97.6Very high98.1Very high171 Ų17145.9 Ų45.965%0.64521%0.213SC*.G310 helixtrans-46.4-39.4176.8-171.7-175.4175.8-177.8-2.9113.8F66 H67 D91R64-F66 PolarHBondContact O-N 3.35Å; R64-F66 VanDerWaalsContact O-N 3.15Å; R64-H67 PolarHBondContact O-N 3.34Å; R64-D91 PolarHBondContact N-OD1 3.4Å; R64-D91 VanDerWaalsContact N-OD1 3.11Å
65A97.6Very high98.2Very high67 Ų6740.8 Ų40.855%0.55419%0.19SC*.G310 helixtrans-61.3-23.2-178.500000113.3T63T63-A65 HydrophobicContact CG2-CB 4.1Å; T63-A65 PolarHBondContact O-N 2.89Å
66F98.2Very high98.2Very high59 Ų5942.1 Ų42.126%0.25920%0.197SC..G310 helixtrans-112.34.8-174.8-63.2-44000114.8T63 R64 R68 L69 R70 L71 D143T63-F66 HydrophobicContact CG2-CD2 3.54Å; T63-F66 HydrophobicContact CG2-CE2 4.01Å; T63-F66 HydrophobicContact CG2-CG 4.27Å; T63-F66 PolarHBondContact O-N 2.78Å; R64-F66 PolarHBondContact O-N 3.35Å; R64-F66 VanDerWaalsContact O-N 3.15Å; F66-R68 VanDerWaalsContact C-N 3.33Å; F66-R68 PolarHBondContact O-N 3.44Å; F66-L69 HydrophobicContact CD1-CB 4.43Å; F66-L69 HydrophobicContact CD1-CD1 4.4Å; F66-L69 PolarHBondContact O-N 2.93Å; F66-R70 HydrophobicContact CB-CB 4.11Å; F66-R70 HydrophobicContact CB-CG 3.9Å; F66-R70 HydrophobicContact CD1-CG 4Å; F66-R70 HydrophobicContact CG-CG 4.05Å; F66-R70 PolarHBondContact O-N 3.2Å; F66-L71 PolarHBondContact O-N 2.92Å; F66-D143 VanDerWaalsContact CB-OD2 3.28Å; F66-D143 WeakPolarHBondContact CB-OD2 3.46Å; F66-D143 WeakPolarHBondContact CD2-OD2 3.26Å
67H98.4Very high98.2Very high5 Ų542.1 Ų42.12%0.02320%0.197CC..Iπ-helixtrans-51.3-50.3175.9-72.4-176.7000112.6T63 R64 L71 E72 T90 S92 L97T63-H67 PolarHBondContact O-CD2 2.98Å; T63-H67 PolarHBondContact O-N 2.97Å; R64-H67 PolarHBondContact O-N 3.34Å; H67-L71 WeakPolarHBondContact O-CB 3.34Å; H67-E72 PolarHBondContact O-N 3.3Å; H67-T90 PolarHBondContact CE1-OG1 2.63Å; H67-T90 PolarHBondContact NE2-OG1 3.36Å; H67-S92 PolarHBondContact CE1-O 3.41Å; H67-L97 HydrophobicContact CB-CD1 3.9Å
68R97.1Very high98.2Very high191 Ų19142.1 Ų42.172%0.72120%0.197SC*.Iπ-helixtrans-83.3-44.1178.1-62.1-170176.8177-2.6112.9F66 R70F66-R68 VanDerWaalsContact C-N 3.33Å; F66-R68 PolarHBondContact O-N 3.44Å; R68-R70 VanDerWaalsContact C-N 3.35Å; R68-R70 PolarHBondContact O-N 2.96Å
69L95.2Very high98.2Very high131 Ų13142.2 Ų42.269%0.68620%0.198SC*.Iπ-helixtrans-71.8-28.2-169-65.2176.1000113.6F66F66-L69 HydrophobicContact CD1-CB 4.43Å; F66-L69 HydrophobicContact CD1-CD1 4.4Å; F66-L69 PolarHBondContact O-N 2.93Å
70R98.1Very high98.1Very high56 Ų5645.1 Ų45.121%0.21122%0.218CC..Iπ-helixtrans-128.3-50.3-175-53.6-174176.2-161-9.2112.1F66 R68 E72 L73 L74 D143 D144F66-R70 HydrophobicContact CB-CB 4.11Å; F66-R70 HydrophobicContact CB-CG 3.9Å; F66-R70 HydrophobicContact CD1-CG 4Å; F66-R70 HydrophobicContact CG-CG 4.05Å; F66-R70 PolarHBondContact O-N 3.2Å; R68-R70 VanDerWaalsContact C-N 3.35Å; R68-R70 PolarHBondContact O-N 2.96Å; R70-E72 PolarHBondContact O-N 3.32Å; R70-L73 WeakPolarHBondContact O-CB 3.41Å; R70-L73 PolarHBondContact O-N 3.24Å; R70-L74 PolarHBondContact O-N 2.75Å; R70-D143 HydrophobicContact CB-CB 4.34Å; R70-D143 WeakPolarHBondContact CB-O 3.37Å; R70-D143 WeakPolarHBondContact CD-OD1 3.47Å; R70-D143 IonicContact CZ-OD1 3.35Å; R70-D143 IonicContact NE-OD1 3.05Å; R70-D143 IonicContact NH1-OD1 2.64Å; R70-D143 PolarHBondContact NH1-OD1 2.78Å; R70-D144 IonicContact CZ-OD2 2.85Å; R70-D144 IonicContact NH1-OD2 2.74Å; R70-D144 PolarHBondContact NH1-OD2 3.48Å; R70-D144 IonicContact NH2-OD2 2.62Å
71L98.4Very high98.1Very high0 Ų049.2 Ų49.20%023%0.234CC..Iπ-helixtrans-67.4-40-170.1-174.169.8000112.9V60 T62 F66 H67 L73 L74 L75 V88 L97V60-L71 HydrophobicContact CG1-CD1 4.31Å; T62-L71 HydrophobicContact CG2-CD2 4.33Å; F66-L71 PolarHBondContact O-N 2.92Å; H67-L71 WeakPolarHBondContact O-CB 3.34Å; L71-L73 VanDerWaalsContact C-N 3.25Å; L71-L73 PolarHBondContact O-N 2.91Å; L71-L74 WeakPolarHBondContact O-CB 3.45Å; L71-L74 PolarHBondContact O-N 2.68Å; L71-L75 HydrophobicContact CG-CD1 4.45Å; L71-L75 HydrophobicContact CG-CG 4.28Å; L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 2.84Å; L71-V88 HydrophobicContact CD1-CG1 3.95Å; L71-V88 HydrophobicContact CD1-CG2 4.07Å; L71-V88 HydrophobicContact CD2-CG1 3.77Å; L71-L97 HydrophobicContact CD2-CD1 3.45Å; L71-L97 VanDerWaalsContact CD2-CD1 3.45Å; L71-L97 HydrophobicContact CD2-CD2 3.65Å; L71-L97 HydrophobicContact CD2-CG 4.18Å; L71-L97 HydrophobicContact CG-CD2 4.34Å
72E97.6Very high98Very high84 Ų8448.8 Ų48.839%0.39323%0.232SC..Hα-helixtrans-54.4-41.7175.1-76.5179.5-166.900112.4H67 R70 L74 L75 D76H67-E72 PolarHBondContact O-N 3.3Å; R70-E72 PolarHBondContact O-N 3.32Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 3.33Å; E72-L75 PolarHBondContact O-N 2.89Å; E72-D76 VanDerWaalsContact O-CG 3.25Å; E72-D76 PolarHBondContact O-N 3.45Å
73L98.6Very high98Very high22 Ų2253.9 Ų53.912%0.11525%0.251CS..Hα-helixtrans-60.3-41.5174.916967.6000111.8R70 L71 D76 T77 Y276 S299 F301 R302R70-L73 WeakPolarHBondContact O-CB 3.41Å; R70-L73 PolarHBondContact O-N 3.24Å; L71-L73 VanDerWaalsContact C-N 3.25Å; L71-L73 PolarHBondContact O-N 2.91Å; L73-D76 PolarHBondContact O-N 3.27Å; L73-T77 HydrophobicContact CD1-CG2 4.07Å; L73-T77 WeakPolarHBondContact O-CB 3.49Å; L73-T77 WeakPolarHBondContact O-CG2 3.48Å; L73-T77 PolarHBondContact O-N 2.03Å; L73-T77 VanDerWaalsContact O-N 3.14Å; L73-T77 PolarHBondContact O-OG1 2.95Å; L73-Y276 HydrophobicContact CD2-CE1 4.45Å; L73-S299 VanDerWaalsContact CD2-OG 3.3Å; L73-S299 WeakPolarHBondContact CD2-OG 3.39Å; L73-F301 HydrophobicContact CD1-CB 4.27Å; L73-F301 HydrophobicContact CD2-CB 4.12Å; L73-F301 HydrophobicContact CD2-CD2 4.03Å; L73-F301 HydrophobicContact CD2-CG 4.43Å; L73-F301 HydrophobicContact CG-CB 4.37Å; L73-R302 HydrophobicContact CD1-CG 3.69Å
74L98.8Very high98Very high0 Ų059.9 Ų59.90%028%0.277CS..Hα-helixtrans-67.1-41.9178.5-53.5-163.6000111.2V60 R70 L71 E72 D76 T77 W78 V79 D143 N145 F301V60-L74 HydrophobicContact CG1-CD1 4.18Å; R70-L74 PolarHBondContact O-N 2.75Å; L71-L74 WeakPolarHBondContact O-CB 3.45Å; L71-L74 PolarHBondContact O-N 2.68Å; E72-L74 VanDerWaalsContact C-N 3.33Å; E72-L74 PolarHBondContact O-N 3.33Å; L74-D76 VanDerWaalsContact C-N 3.31Å; L74-D76 PolarHBondContact O-N 3.29Å; L74-T77 CarbonylContact O-C 3.56Å; L74-T77 PolarHBondContact O-N 2.93Å; L74-T77 VanDerWaalsContact O-N 3.15Å; L74-T77 PolarHBondContact O-OG1 3.29Å; L74-W78 HydrophobicContact CD1-CZ2 4.11Å; L74-W78 PolarHBondContact O-N 3.07Å; L74-V79 HydrophobicContact CB-CG2 3.93Å; L74-V79 WeakPolarHBondContact O-CB 3.33Å; L74-V79 WeakPolarHBondContact O-CG2 3.38Å; L74-V79 PolarHBondContact O-N 3.42Å; L74-D143 WeakPolarHBondContact CD1-O 3.48Å; L74-N145 WeakPolarHBondContact CD2-O 3.32Å; L74-F301 HydrophobicContact CD2-CD2 3.91Å; L74-F301 HydrophobicContact CD2-CE2 3.9Å
75L98.6Very high98Very high11 Ų1152.5 Ų52.56%0.05825%0.25CC..Hα-helixtrans-62.6-35.7177.3-62.9-175000113L71 E72 T77 V79 L97 R100 L101L71-L75 HydrophobicContact CG-CD1 4.45Å; L71-L75 HydrophobicContact CG-CG 4.28Å; L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 2.84Å; E72-L75 PolarHBondContact O-N 2.89Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-V79 HydrophobicContact CD2-CB 4.09Å; L75-V79 HydrophobicContact CD2-CG1 3.68Å; L75-V79 HydrophobicContact CD2-CG2 4.47Å; L75-L97 HydrophobicContact CD1-CD2 3.61Å; L75-R100 VanDerWaalsContact CB-CZ 3.4Å; L75-R100 HydrophobicContact CD1-CB 4.49Å; L75-R100 PolarHBondContact O-NH2 2.92Å; L75-L101 HydrophobicContact CD1-CD1 4.47Å; L75-L101 HydrophobicContact CD2-CD1 4.23Å; L75-L101 HydrophobicContact CD2-CD2 3.76Å; L75-L101 HydrophobicContact CD2-CG 4.2Å
76D98.1Very high98.1Very high52 Ų5249.3 Ų49.328%0.27822%0.223SC..Hα-helixtrans-78.3-19.4177.1-67.1-3.7000112.7E72 L73 L74 R100 R302 W314E72-D76 VanDerWaalsContact O-CG 3.25Å; E72-D76 PolarHBondContact O-N 3.45Å; L73-D76 PolarHBondContact O-N 3.27Å; L74-D76 VanDerWaalsContact C-N 3.31Å; L74-D76 PolarHBondContact O-N 3.29Å; D76-R100 IonicContact OD1-CZ 3.35Å; D76-R100 IonicContact OD1-NH1 3.13Å; D76-R100 PolarHBondContact OD1-NH1 2.99Å; D76-R100 IonicContact OD1-NH2 3.79Å; D76-R100 PolarHBondContact OD1-NH2 3.06Å; D76-R302 IonicContact OD2-NH2 3.72Å; D76-W314 WeakPolarHBondContact O-CZ2 3.13Å
77T98.8Very high98.1Very high0 Ų048.1 Ų48.10%022%0.218CC..THydrogen-bonded Turntrans-111.8-111.2-176.560.50000111.6L73 L74 L75 V79 S80 R302 H305 W314L73-T77 HydrophobicContact CD1-CG2 4.07Å; L73-T77 WeakPolarHBondContact O-CB 3.49Å; L73-T77 WeakPolarHBondContact O-CG2 3.48Å; L73-T77 PolarHBondContact O-N 2.03Å; L73-T77 VanDerWaalsContact O-N 3.14Å; L73-T77 PolarHBondContact O-OG1 2.95Å; L74-T77 CarbonylContact O-C 3.56Å; L74-T77 PolarHBondContact O-N 2.93Å; L74-T77 VanDerWaalsContact O-N 3.15Å; L74-T77 PolarHBondContact O-OG1 3.29Å; L75-T77 VanDerWaalsContact C-N 3.32Å; T77-V79 PolarHBondContact O-N 3.31Å; T77-S80 WeakPolarHBondContact O-CB 3.45Å; T77-S80 PolarHBondContact O-N 2.99Å; T77-S80 PolarHBondContact O-OG 3.48Å; T77-R302 HydrophobicContact CG2-CG 4.39Å; T77-H305 HydrophobicContact CG2-CB 4Å; T77-H305 PolarHBondContact O-CE1 3.08Å; T77-W314 HydrophobicContact CG2-CH2 4.11Å; T77-W314 HydrophobicContact CG2-CZ2 4.24Å
78W98.8Very high98.1Very high0 Ų047.9 Ų47.90%022%0.217CC..G310 helixtrans-67.7-32.4-166.769-96.7000113.6I58 V60 L74 S80 R81 T82 T86 V141 N145 Y146 V147I58-W78 HydrophobicContact CD1-CZ3 4.44Å; I58-W78 HydrophobicContact CG2-CH2 3.88Å; I58-W78 HydrophobicContact CG2-CZ3 4.03Å; V60-W78 HydrophobicContact CG2-CH2 3.51Å; V60-W78 HydrophobicContact CG2-CZ2 3.77Å; L74-W78 HydrophobicContact CD1-CZ2 4.11Å; L74-W78 PolarHBondContact O-N 3.07Å; W78-S80 PolarHBondContact O-N 3Å; W78-R81 WeakPolarHBondContact O-CB 3.24Å; W78-R81 PolarHBondContact O-N 2.74Å; W78-T82 PolarHBondContact O-N 2.87Å; W78-T86 HydrophobicContact CH2-CG2 4.11Å; W78-T86 HydrophobicContact CZ3-CG2 4.27Å; W78-V141 HydrophobicContact CH2-CG2 4.11Å; W78-V141 HydrophobicContact CZ2-CG2 4.15Å; W78-N145 PolarHBondContact NE1-O 3.23Å; W78-Y146 HydrophobicContact CB-CD1 4.21Å; W78-Y146 HydrophobicContact CB-CD2 4.22Å; W78-Y146 HydrophobicContact CB-CE1 3.88Å; W78-Y146 HydrophobicContact CB-CE2 3.94Å; W78-Y146 HydrophobicContact CB-CG 4.35Å; W78-Y146 AromaticContact CD1-CD2 3.78Å; W78-Y146 AromaticContact CD1-CG 3.92Å; W78-Y146 HydrophobicContact CG-CD2 4.36Å; W78-Y146 HydrophobicContact CG-CG 4.38Å; W78-V147 WeakPolarHBondContact CB-O 3.44Å; W78-V147 HydrophobicContact CD2-CB 3.92Å; W78-V147 HydrophobicContact CD2-CG2 4.22Å; W78-V147 HydrophobicContact CE3-CB 3.69Å; W78-V147 HydrophobicContact CE3-CG2 4.11Å; W78-V147 HydrophobicContact CH2-CB 4.29Å; W78-V147 HydrophobicContact CH2-CG2 3.78Å; W78-V147 HydrophobicContact CZ2-CG2 3.91Å; W78-V147 HydrophobicContact CZ3-CB 3.88Å; W78-V147 HydrophobicContact CZ3-CG2 3.88Å
79V98.8Very high98.2Very high2 Ų238.8 Ų38.81%0.01218%0.183CC..G310 helixtrans-66.8-27178.6179.30000110.9L74 L75 T77 R81 T82 R83 T86L74-V79 HydrophobicContact CB-CG2 3.93Å; L74-V79 WeakPolarHBondContact O-CB 3.33Å; L74-V79 WeakPolarHBondContact O-CG2 3.38Å; L74-V79 PolarHBondContact O-N 3.42Å; L75-V79 HydrophobicContact CD2-CB 4.09Å; L75-V79 HydrophobicContact CD2-CG1 3.68Å; L75-V79 HydrophobicContact CD2-CG2 4.47Å; T77-V79 PolarHBondContact O-N 3.31Å; V79-R81 PolarHBondContact O-N 3.24Å; V79-R81 VanDerWaalsContact O-N 3.13Å; V79-T82 CarbonylContact O-C 3.44Å; V79-T82 PolarHBondContact O-N 2.91Å; V79-T82 VanDerWaalsContact O-N 3.13Å; V79-R83 VanDerWaalsContact O-CA 3.3Å; V79-R83 WeakPolarHBondContact O-CA 3.47Å; V79-R83 PolarHBondContact O-N 3.34Å; V79-T86 HydrophobicContact CG1-CG2 3.93Å; V79-T86 HydrophobicContact CG2-CG2 4.12Å
80S97.9Very high98.4Very high61 Ų6132.5 Ų32.543%0.42715%0.15SC..G310 helixtrans-60.1-23.5172.777.40000113T77 W78T77-S80 WeakPolarHBondContact O-CB 3.45Å; T77-S80 PolarHBondContact O-N 2.99Å; T77-S80 PolarHBondContact O-OG 3.48Å; W78-S80 PolarHBondContact O-N 3Å
81R97.9Very high98.4Very high86 Ų8631 Ų3133%0.32515%0.146SC..G310 helixtrans-94.5-12.2-179.8-51.7-54.3-173.5159.13.5113.3W78 V79 Y309 D311 T312W78-R81 WeakPolarHBondContact O-CB 3.24Å; W78-R81 PolarHBondContact O-N 2.74Å; V79-R81 PolarHBondContact O-N 3.24Å; V79-R81 VanDerWaalsContact O-N 3.13Å; R81-Y309 HydrophobicContact CG-CD2 4.31Å; R81-Y309 HydrophobicContact CG-CE1 4.31Å; R81-Y309 HydrophobicContact CG-CE2 4.04Å; R81-D311 IonicContact NH1-OD2 3.68Å; R81-D311 IonicContact NH2-OD2 3.72Å; R81-T312 PolarHBondContact NH2-OG1 3.15Å
82T97.8Very high98.4Very high0 Ų032.1 Ų32.10%015%0.154CC..SBendtrans-135.924.8-176.462.70000112.8I58 W78 V79 E84 Q85 T86 P149I58-T82 HydrophobicContact CD1-CG2 4.38Å; W78-T82 PolarHBondContact O-N 2.87Å; V79-T82 CarbonylContact O-C 3.44Å; V79-T82 PolarHBondContact O-N 2.91Å; V79-T82 VanDerWaalsContact O-N 3.13Å; T82-E84 PolarHBondContact O-N 3.39Å; T82-E84 VanDerWaalsContact O-N 3.1Å; T82-Q85 WeakPolarHBondContact O-CA 3.49Å; T82-Q85 PolarHBondContact O-N 2.94Å; T82-Q85 PolarHBondContact O-OE1 3.11Å; T82-T86 PolarHBondContact O-N 3.21Å; T82-T86 PolarHBondContact O-OG1 3.49Å; T82-T86 VanDerWaalsContact O-OG1 3.05Å; T82-T86 PolarHBondContact OG1-OG1 2.78Å; T82-P149 HydrophobicContact CG2-CB 3.44Å; T82-P149 VanDerWaalsContact CG2-CB 3.44Å; T82-P149 HydrophobicContact CG2-CG 3.63Å
83R97.7Very high98.4Very high113 Ų11332.7 Ų32.743%0.42617%0.165SC..THydrogen-bonded Turntrans-53.8-39.1-170.2-176.7-178.3173-80.3-0.6112.9V79 Q85 T86 R100 H104V79-R83 VanDerWaalsContact O-CA 3.3Å; V79-R83 WeakPolarHBondContact O-CA 3.47Å; V79-R83 PolarHBondContact O-N 3.34Å; R83-Q85 VanDerWaalsContact C-N 3.27Å; R83-Q85 PolarHBondContact O-N 3.28Å; R83-T86 PolarHBondContact O-N 3.37Å; R83-R100 VanDerWaalsContact CZ-O 3.31Å; R83-R100 PolarHBondContact NE-O 3.35Å; R83-R100 PolarHBondContact NH2-O 2.68Å; R83-H104 PolarHBondContact O-ND1 2.61Å
84E97.6Very high98.4Very high147 Ų14734 Ų3469%0.68717%0.172SC*.THydrogen-bonded Turntrans-70.1-21.8179.7-66.5178.5174.700113.6T82 H104T82-E84 PolarHBondContact O-N 3.39Å; T82-E84 VanDerWaalsContact O-N 3.1Å; E84-H104 PolarHBondContact O-CE1 3.31Å; E84-H104 VanDerWaalsContact O-CE1 3.3Å
85Q98.5Very high98.3Very high15 Ų1542.3 Ų42.37%0.0721%0.208CC..THydrogen-bonded Turntrans-97.6-20.4179.6-66.973.148.400112.1L53 V56 I58 T82 R83L53-Q85 HydrophobicContact CB-CG 4.48Å; L53-Q85 WeakPolarHBondContact O-CG 3.18Å; V56-Q85 VanDerWaalsContact O-CB 3.28Å; V56-Q85 WeakPolarHBondContact O-CB 3.45Å; V56-Q85 WeakPolarHBondContact O-CG 3.48Å; I58-Q85 HydrophobicContact CD1-CB 4.37Å; I58-Q85 HydrophobicContact CG1-CB 4.5Å; I58-Q85 PolarHBondContact N-O 3.02Å; T82-Q85 WeakPolarHBondContact O-CA 3.49Å; T82-Q85 PolarHBondContact O-N 2.94Å; T82-Q85 PolarHBondContact O-OE1 3.11Å; R83-Q85 VanDerWaalsContact C-N 3.27Å; R83-Q85 PolarHBondContact O-N 3.28Å
86T98.9Very high98.3Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-92.3127.8-172.7-57.20000111.8I58 V60 W78 V79 T82 R83 V88 H104I58-T86 CarbonylContact O-C 3.49Å; I58-T86 WeakPolarHBondContact O-CA 3.31Å; V60-T86 HydrophobicContact CG2-CG2 3.66Å; W78-T86 HydrophobicContact CH2-CG2 4.11Å; W78-T86 HydrophobicContact CZ3-CG2 4.27Å; V79-T86 HydrophobicContact CG1-CG2 3.93Å; V79-T86 HydrophobicContact CG2-CG2 4.12Å; T82-T86 PolarHBondContact O-N 3.21Å; T82-T86 PolarHBondContact O-OG1 3.49Å; T82-T86 VanDerWaalsContact O-OG1 3.05Å; T82-T86 PolarHBondContact OG1-OG1 2.78Å; R83-T86 PolarHBondContact O-N 3.37Å; T86-V88 HydrophobicContact CG2-CG2 4.47Å; T86-H104 WeakPolarHBondContact O-CB 3.45Å; T86-H104 PolarHBondContact O-ND1 3.13Å
87F98.9Very high98.2Very high34 Ų3441.1 Ų41.115%0.14921%0.21CC..EExtended strand (participates in β ladder)trans-119.4130.6172.5-67.5-101.9000109F57 I58 A59 V60 F89 H104F57-F87 AromaticContact CD2-CD2 3.62Å; F57-F87 HydrophobicContact CD2-CD2 3.62Å; F57-F87 AromaticContact CD2-CE2 3.63Å; F57-F87 HydrophobicContact CD2-CE2 3.63Å; F57-F87 HydrophobicContact CD2-CG 4.42Å; F57-F87 HydrophobicContact CD2-CZ 4.41Å; F57-F87 HydrophobicContact CE1-CB 4.16Å; F57-F87 HydrophobicContact CE1-CD2 4.2Å; F57-F87 HydrophobicContact CE1-CG 4.35Å; F57-F87 HydrophobicContact CE2-CB 4.23Å; F57-F87 HydrophobicContact CE2-CD1 4.05Å; F57-F87 AromaticContact CE2-CD2 3.18Å; F57-F87 HydrophobicContact CE2-CD2 3.18Å; F57-F87 HydrophobicContact CE2-CE1 4.21Å; F57-F87 AromaticContact CE2-CE2 3.39Å; F57-F87 HydrophobicContact CE2-CE2 3.39Å; F57-F87 AromaticContact CE2-CG 3.55Å; F57-F87 HydrophobicContact CE2-CG 3.55Å; F57-F87 AromaticContact CE2-CZ 3.91Å; F57-F87 HydrophobicContact CE2-CZ 3.91Å; F57-F87 HydrophobicContact CG-CD2 4.29Å; F57-F87 HydrophobicContact CZ-CB 3.66Å; F57-F87 HydrophobicContact CZ-CD1 4.17Å; F57-F87 AromaticContact CZ-CD2 3.51Å; F57-F87 HydrophobicContact CZ-CD2 3.51Å; F57-F87 HydrophobicContact CZ-CE2 4.19Å; F57-F87 AromaticContact CZ-CG 3.5Å; F57-F87 HydrophobicContact CZ-CG 3.5Å; I58-F87 PolarHBondContact O-N 2.82Å; A59-F87 WeakPolarHBondContact CA-O 3.49Å; V60-F87 PolarHBondContact N-O 2.67Å; F87-F89 HydrophobicContact CB-CE2 3.69Å; F87-F89 HydrophobicContact CB-CZ 4.23Å; F87-H104 CarbonylContact C-O 3.51Å; F87-H104 WeakPolarHBondContact CA-O 3.44Å; F87-H104 HydrophobicContact CD1-CB 4.39Å; F87-H104 AromaticContact CE1-ND1 3.84Å; F87-H104 AromaticContact CE2-CE1 3.96Å; F87-H104 AromaticContact CE2-ND1 3.87Å; F87-H104 AromaticContact CZ-CE1 3.65Å; F87-H104 AromaticContact CZ-ND1 3.75Å
88V98.9Very high98.2Very high0 Ų045.3 Ų45.30%023%0.229CC..EExtended strand (participates in β ladder)trans-106.2122.2-176.5179.70000109.5V60 T62 L71 T86 L101 H104 L105 V106V60-V88 HydrophobicContact CB-CG2 4.29Å; V60-V88 WeakPolarHBondContact O-CA 3.29Å; T62-V88 HydrophobicContact CG2-CG1 3.7Å; L71-V88 HydrophobicContact CD1-CG1 3.95Å; L71-V88 HydrophobicContact CD1-CG2 4.07Å; L71-V88 HydrophobicContact CD2-CG1 3.77Å; T86-V88 HydrophobicContact CG2-CG2 4.47Å; V88-L101 HydrophobicContact CB-CD1 4Å; V88-L101 HydrophobicContact CG2-CD1 3.68Å; V88-L101 HydrophobicContact CG2-CD2 4.41Å; V88-H104 PolarHBondContact N-O 3.49Å; V88-L105 HydrophobicContact CB-CD1 4.21Å; V88-L105 HydrophobicContact CG1-CD1 4.12Å; V88-V106 PolarHBondContact O-N 2.93Å
89F98.8Very high98.2Very high0 Ų052.9 Ų52.90%026%0.264CS..EExtended strand (participates in β ladder)trans-104.9120-178.5-66.8-98.3000110.1F57 A59 V60 T62 F87 V106 T108 A125 E126 T129F57-F89 HydrophobicContact CE1-CE2 4.14Å; F57-F89 HydrophobicContact CE1-CZ 4.31Å; F57-F89 HydrophobicContact CZ-CE2 4.18Å; F57-F89 HydrophobicContact CZ-CZ 4.04Å; A59-F89 HydrophobicContact CB-CD2 4.18Å; A59-F89 HydrophobicContact CB-CE2 3.92Å; V60-F89 PolarHBondContact O-N 2.68Å; T62-F89 PolarHBondContact N-O 3.04Å; F87-F89 HydrophobicContact CB-CE2 3.69Å; F87-F89 HydrophobicContact CB-CZ 4.23Å; F89-V106 WeakPolarHBondContact CA-O 2.99Å; F89-V106 HydrophobicContact CD1-CB 3.74Å; F89-V106 HydrophobicContact CD1-CG1 3.75Å; F89-V106 HydrophobicContact CD1-CG2 4.34Å; F89-V106 HydrophobicContact CE1-CB 3.79Å; F89-V106 HydrophobicContact CE1-CG1 3.7Å; F89-V106 HydrophobicContact CE1-CG2 3.93Å; F89-V106 HydrophobicContact CG-CB 4.3Å; F89-V106 HydrophobicContact CZ-CB 4.39Å; F89-V106 HydrophobicContact CZ-CG2 4.1Å; F89-T108 HydrophobicContact CD1-CG2 4.24Å; F89-A125 HydrophobicContact CD1-CB 4.07Å; F89-A125 HydrophobicContact CE1-CB 4.29Å; F89-A125 WeakPolarHBondContact CE1-O 3.35Å; F89-E126 HydrophobicContact CB-CG 4.15Å; F89-E126 HydrophobicContact CD1-CG 3.99Å; F89-E126 HydrophobicContact CD2-CB 4.45Å; F89-E126 HydrophobicContact CD2-CG 3.56Å; F89-E126 HydrophobicContact CE1-CG 4.3Å; F89-E126 HydrophobicContact CE2-CB 4.31Å; F89-E126 HydrophobicContact CE2-CG 3.89Å; F89-E126 HydrophobicContact CG-CG 3.61Å; F89-E126 HydrophobicContact CZ-CB 4.36Å; F89-E126 HydrophobicContact CZ-CG 4.26Å; F89-T129 HydrophobicContact CE1-CG2 4.39Å; F89-T129 WeakPolarHBondContact CE1-OG1 3.35Å; F89-T129 HydrophobicContact CZ-CG2 3.93Å
90T98.7Very high98.1Very high0 Ų057.5 Ų57.50%028%0.282CS..EExtended strand (participates in β ladder)trans-134.3166.9-175.11800000111.5H67 S92 L105 V106 V107 T108H67-T90 PolarHBondContact CE1-OG1 2.63Å; H67-T90 PolarHBondContact NE2-OG1 3.36Å; T90-S92 VanDerWaalsContact CG2-O 3.24Å; T90-S92 WeakPolarHBondContact CG2-O 3.49Å; T90-S92 PolarHBondContact OG1-N 3.04Å; T90-S92 PolarHBondContact OG1-O 3.39Å; T90-L105 HydrophobicContact CG2-CD1 3.76Å; T90-L105 HydrophobicContact CG2-CG 4.36Å; T90-V106 PolarHBondContact N-O 3.12Å; T90-V107 HydrophobicContact CG2-CB 4.44Å; T90-V107 HydrophobicContact CG2-CG2 3.96Å; T90-T108 WeakPolarHBondContact O-CB 3.43Å; T90-T108 PolarHBondContact O-N 2.99Å; T90-T108 PolarHBondContact O-OG1 2.61Å
91D98.3Very high98.1Very high25 Ų2554.8 Ų54.813%0.13426%0.262CS..SBendtrans-100.31.3176.545.162.6000113.7T63 R64 C110 A112 K122T63-D91 VanDerWaalsContact CA-OD2 3.22Å; T63-D91 WeakPolarHBondContact CA-OD2 3.19Å; T63-D91 WeakPolarHBondContact CB-OD2 3.17Å; T63-D91 VanDerWaalsContact OG1-CG 3.28Å; T63-D91 PolarHBondContact OG1-OD1 3.46Å; T63-D91 PolarHBondContact OG1-OD2 3.09Å; R64-D91 PolarHBondContact N-OD1 3.4Å; R64-D91 VanDerWaalsContact N-OD1 3.11Å; D91-C110 WeakPolarHBondContact CB-O 3.34Å; D91-A112 HydrophobicContact CB-CB 4.23Å; D91-A112 WeakPolarHBondContact OD2-CA 3.36Å; D91-K122 VanDerWaalsContact OD2-CE 3.24Å; D91-K122 WeakPolarHBondContact OD2-CE 3.46Å; D91-K122 IonicContact OD2-NZ 3.18Å; D91-K122 PolarHBondContact OD2-NZ 3.41Å
92S98.1Very high98.1Very high22 Ų2251.9 Ų51.915%0.15426%0.259CS..SBendtrans-151.5145-177.4-151.20000112.2H67 T90H67-S92 PolarHBondContact CE1-O 3.41Å; T90-S92 VanDerWaalsContact CG2-O 3.24Å; T90-S92 WeakPolarHBondContact CG2-O 3.49Å; T90-S92 PolarHBondContact OG1-N 3.04Å; T90-S92 PolarHBondContact OG1-O 3.39Å
93P97.8Very high98Very high96 Ų9656.7 Ų56.762%0.62329%0.293SS*.  trans-70.9148.2174.230.6-35.2000111.4V107P93-V107 HydrophobicContact CB-CG2 4.31Å
94D98.4Very high98.1Very high50 Ų5052.6 Ų52.627%0.26728%0.278SS..  trans-141.8127.8170.5-178.5-73.6000108.9G96 L97 Q98D94-G96 WeakPolarHBondContact OD1-CA 3.42Å; D94-G96 PolarHBondContact OD1-N 2.92Å; D94-L97 HydrophobicContact CB-CB 4.01Å; D94-L97 HydrophobicContact CB-CD1 3.82Å; D94-L97 HydrophobicContact CB-CG 3.91Å; D94-L97 PolarHBondContact OD1-N 3.44Å; D94-Q98 WeakPolarHBondContact O-CB 3.29Å; D94-Q98 PolarHBondContact O-N 2.94Å
95K97.8Very high98.1Very high175 Ų17546.1 Ų46.176%0.76125%0.248SC*.Hα-helixtrans-66.7-41.7-174.6-69.3-174.9177.6-1770112.4Q98 E99K95-Q98 PolarHBondContact O-N 2.93Å; K95-E99 WeakPolarHBondContact O-CG 3.2Å; K95-E99 PolarHBondContact O-N 3.37Å
96G97.2Very high98.1Very high33 Ų3347.1 Ų47.134%0.3426%0.255SS..Hα-helixtrans-68.5-40.2-179.200000111.5D94 E99 R100D94-G96 WeakPolarHBondContact OD1-CA 3.42Å; D94-G96 PolarHBondContact OD1-N 2.92Å; G96-E99 PolarHBondContact O-N 3.03Å; G96-R100 WeakPolarHBondContact O-CG 3.47Å; G96-R100 PolarHBondContact O-N 2.7Å; G96-R100 VanDerWaalsContact O-N 3.09Å
97L97.8Very high98.1Very high5 Ų550 Ų503%0.02627%0.273CS..Hα-helixtrans-65.3-41.7172.3-61.2-178.6000111.6H67 L71 L75 D94 E99 R100 L101 L105H67-L97 HydrophobicContact CB-CD1 3.9Å; L71-L97 HydrophobicContact CD2-CD1 3.45Å; L71-L97 VanDerWaalsContact CD2-CD1 3.45Å; L71-L97 HydrophobicContact CD2-CD2 3.65Å; L71-L97 HydrophobicContact CD2-CG 4.18Å; L71-L97 HydrophobicContact CG-CD2 4.34Å; L75-L97 HydrophobicContact CD1-CD2 3.61Å; D94-L97 HydrophobicContact CB-CB 4.01Å; D94-L97 HydrophobicContact CB-CD1 3.82Å; D94-L97 HydrophobicContact CB-CG 3.91Å; D94-L97 PolarHBondContact OD1-N 3.44Å; L97-E99 VanDerWaalsContact C-N 3.31Å; L97-E99 PolarHBondContact O-N 2.98Å; L97-R100 PolarHBondContact O-N 3.25Å; L97-L101 VanDerWaalsContact O-CB 3.3Å; L97-L101 WeakPolarHBondContact O-CB 3.42Å; L97-L101 PolarHBondContact O-N 3.1Å; L97-L105 HydrophobicContact CB-CD1 4.31Å; L97-L105 HydrophobicContact CB-CD2 3.79Å; L97-L105 HydrophobicContact CD1-CD1 4.46Å
98Q98.1Very high98.1Very high87 Ų8749.2 Ų49.241%0.40727%0.271SS..Hα-helixtrans-61.6-38.7178.2-175.261.167.500112D94 K95 G102 L105D94-Q98 WeakPolarHBondContact O-CB 3.29Å; D94-Q98 PolarHBondContact O-N 2.94Å; K95-Q98 PolarHBondContact O-N 2.93Å; Q98-G102 VanDerWaalsContact NE2-C 3.26Å; Q98-G102 PolarHBondContact NE2-O 2.75Å; Q98-G102 VanDerWaalsContact O-CA 3.25Å; Q98-G102 WeakPolarHBondContact O-CA 3.43Å; Q98-G102 PolarHBondContact O-N 3.32Å; Q98-L105 HydrophobicContact CB-CD2 4.17Å
99E97.6Very high98Very high159 Ų15957.5 Ų57.574%0.74332%0.315SS*.Hα-helixtrans-66.3-42.7174.2-73.8167.5-167.600111.8K95 G96 L97K95-E99 WeakPolarHBondContact O-CG 3.2Å; K95-E99 PolarHBondContact O-N 3.37Å; G96-E99 PolarHBondContact O-N 3.03Å; L97-E99 VanDerWaalsContact C-N 3.31Å; L97-E99 PolarHBondContact O-N 2.98Å
100R97Very high97.9Very high100 Ų10058.3 Ų58.338%0.37732%0.32SS..Hα-helixtrans-73.9-37.8-178.9-70-178.872171.78.6113.5L75 D76 R83 G96 L97L75-R100 VanDerWaalsContact CB-CZ 3.4Å; L75-R100 HydrophobicContact CD1-CB 4.49Å; L75-R100 PolarHBondContact O-NH2 2.92Å; D76-R100 IonicContact OD1-CZ 3.35Å; D76-R100 IonicContact OD1-NH1 3.13Å; D76-R100 PolarHBondContact OD1-NH1 2.99Å; D76-R100 IonicContact OD1-NH2 3.79Å; D76-R100 PolarHBondContact OD1-NH2 3.06Å; R83-R100 VanDerWaalsContact CZ-O 3.31Å; R83-R100 PolarHBondContact NE-O 3.35Å; R83-R100 PolarHBondContact NH2-O 2.68Å; G96-R100 WeakPolarHBondContact O-CG 3.47Å; G96-R100 PolarHBondContact O-N 2.7Å; G96-R100 VanDerWaalsContact O-N 3.09Å; L97-R100 PolarHBondContact O-N 3.25Å
101L97.8Very high97.8Very high3 Ų360.9 Ų60.92%0.01634%0.339CS..Hα-helixtrans-104.7-23.7-171.3-68.8168.5000113.4L75 V88 L97 S103 H104 L105L75-L101 HydrophobicContact CD1-CD1 4.47Å; L75-L101 HydrophobicContact CD2-CD1 4.23Å; L75-L101 HydrophobicContact CD2-CD2 3.76Å; L75-L101 HydrophobicContact CD2-CG 4.2Å; V88-L101 HydrophobicContact CB-CD1 4Å; V88-L101 HydrophobicContact CG2-CD1 3.68Å; V88-L101 HydrophobicContact CG2-CD2 4.41Å; L97-L101 VanDerWaalsContact O-CB 3.3Å; L97-L101 WeakPolarHBondContact O-CB 3.42Å; L97-L101 PolarHBondContact O-N 3.1Å; L101-S103 PolarHBondContact O-N 2.94Å; L101-H104 HydrophobicContact CB-CB 4.23Å; L101-H104 HydrophobicContact CD2-CB 4.42Å; L101-H104 VanDerWaalsContact O-CB 3.31Å; L101-H104 WeakPolarHBondContact O-CB 3.42Å; L101-H104 PolarHBondContact O-N 3.06Å; L101-L105 HydrophobicContact CB-CB 3.98Å; L101-L105 HydrophobicContact CD1-CB 4.21Å; L101-L105 HydrophobicContact CD1-CD1 4.13Å
102G97.7Very high97.6Very high25 Ų2562.4 Ų62.426%0.25836%0.355SS..G310 helixtrans56.9-129.7-176.300000111.4Q98 H104 L105Q98-G102 VanDerWaalsContact NE2-C 3.26Å; Q98-G102 PolarHBondContact NE2-O 2.75Å; Q98-G102 VanDerWaalsContact O-CA 3.25Å; Q98-G102 WeakPolarHBondContact O-CA 3.43Å; Q98-G102 PolarHBondContact O-N 3.32Å; G102-H104 PolarHBondContact O-N 3.42Å; G102-H104 VanDerWaalsContact O-N 3.1Å; G102-L105 PolarHBondContact O-N 2.05Å
103S97.2Very high97.4Very high101 Ų10167.3 Ų67.371%0.70638%0.375SS*.G310 helixtrans-64.8-9.6177.754.50000114.6L101 L105L101-S103 PolarHBondContact O-N 2.94Å; S103-L105 VanDerWaalsContact C-N 3.31Å
104H98.5Very high97.1Very high28 Ų2870.6 Ų70.613%0.1338%0.382CS..G310 helixtrans-82.1-9177.2-66.7-113000112.9R83 E84 T86 F87 V88 L101 G102R83-H104 PolarHBondContact O-ND1 2.61Å; E84-H104 PolarHBondContact O-CE1 3.31Å; E84-H104 VanDerWaalsContact O-CE1 3.3Å; T86-H104 WeakPolarHBondContact O-CB 3.45Å; T86-H104 PolarHBondContact O-ND1 3.13Å; F87-H104 CarbonylContact C-O 3.51Å; F87-H104 WeakPolarHBondContact CA-O 3.44Å; F87-H104 HydrophobicContact CD1-CB 4.39Å; F87-H104 AromaticContact CE1-ND1 3.84Å; F87-H104 AromaticContact CE2-CE1 3.96Å; F87-H104 AromaticContact CE2-ND1 3.87Å; F87-H104 AromaticContact CZ-CE1 3.65Å; F87-H104 AromaticContact CZ-ND1 3.75Å; V88-H104 PolarHBondContact N-O 3.49Å; L101-H104 HydrophobicContact CB-CB 4.23Å; L101-H104 HydrophobicContact CD2-CB 4.42Å; L101-H104 VanDerWaalsContact O-CB 3.31Å; L101-H104 WeakPolarHBondContact O-CB 3.42Å; L101-H104 PolarHBondContact O-N 3.06Å; G102-H104 PolarHBondContact O-N 3.42Å; G102-H104 VanDerWaalsContact O-N 3.1Å
105L98.7Very high96.8Very high10 Ų1069.9 Ų69.95%0.05238%0.381CS..EExtended strand (participates in β ladder)trans-90107.7168.6-17768.2000109.6V88 T90 L97 Q98 L101 G102 S103 V107V88-L105 HydrophobicContact CB-CD1 4.21Å; V88-L105 HydrophobicContact CG1-CD1 4.12Å; T90-L105 HydrophobicContact CG2-CD1 3.76Å; T90-L105 HydrophobicContact CG2-CG 4.36Å; L97-L105 HydrophobicContact CB-CD1 4.31Å; L97-L105 HydrophobicContact CB-CD2 3.79Å; L97-L105 HydrophobicContact CD1-CD1 4.46Å; Q98-L105 HydrophobicContact CB-CD2 4.17Å; L101-L105 HydrophobicContact CB-CB 3.98Å; L101-L105 HydrophobicContact CD1-CB 4.21Å; L101-L105 HydrophobicContact CD1-CD1 4.13Å; G102-L105 PolarHBondContact O-N 2.05Å; S103-L105 VanDerWaalsContact C-N 3.31Å; L105-V107 HydrophobicContact CD2-CG2 4.41Å; L105-V107 HydrophobicContact CG-CG2 4.29Å
106V98.6Very high96.5Very high36 Ų3665.5 Ų65.522%0.21836%0.363CS..EExtended strand (participates in β ladder)trans-99.2103.5178.8-174.70000109.2V88 F89 T90 T108V88-V106 PolarHBondContact O-N 2.93Å; F89-V106 WeakPolarHBondContact CA-O 2.99Å; F89-V106 HydrophobicContact CD1-CB 3.74Å; F89-V106 HydrophobicContact CD1-CG1 3.75Å; F89-V106 HydrophobicContact CD1-CG2 4.34Å; F89-V106 HydrophobicContact CE1-CB 3.79Å; F89-V106 HydrophobicContact CE1-CG1 3.7Å; F89-V106 HydrophobicContact CE1-CG2 3.93Å; F89-V106 HydrophobicContact CG-CB 4.3Å; F89-V106 HydrophobicContact CZ-CB 4.39Å; F89-V106 HydrophobicContact CZ-CG2 4.1Å; T90-V106 PolarHBondContact N-O 3.12Å; V106-T108 HydrophobicContact CG1-CG2 4.41Å; V106-T108 PolarHBondContact O-N 3.29Å
107V98.5Very high96.3Very high62 Ų6267.1 Ų67.138%0.37637%0.368SS..EExtended strand (participates in β ladder)trans-85.6106.9174.8-174.10000109.1T90 P93 L105T90-V107 HydrophobicContact CG2-CB 4.44Å; T90-V107 HydrophobicContact CG2-CG2 3.96Å; P93-V107 HydrophobicContact CB-CG2 4.31Å; L105-V107 HydrophobicContact CD2-CG2 4.41Å; L105-V107 HydrophobicContact CG-CG2 4.29Å
108T98Very high96.1Very high16 Ų1667.1 Ų67.110%0.09837%0.368CS..  trans-84.7157.6178.5710000111.1F89 T90 V106 C110 A125F89-T108 HydrophobicContact CD1-CG2 4.24Å; T90-T108 WeakPolarHBondContact O-CB 3.43Å; T90-T108 PolarHBondContact O-N 2.99Å; T90-T108 PolarHBondContact O-OG1 2.61Å; V106-T108 HydrophobicContact CG1-CG2 4.41Å; V106-T108 PolarHBondContact O-N 3.29Å; T108-C110 PolarHBondContact O-N 3.13Å; T108-C110 WeakPolarHBondContact OG1-CB 3.31Å; T108-C110 PolarHBondContact OG1-N 3.18Å; T108-A125 HydrophobicContact CG2-CB 3.73Å
109N96.6Very high96Very high175 Ų17564.3 Ų64.394%0.93636%0.356SS*.SBendtrans-90.225.4169.7-163.336.3000112.2
110C97Very high96Very high16 Ų1656.8 Ų56.811%0.10832%0.32CS..SBendtrans-83.5156.9178.6-600000110.8D91 T108 C121 K122D91-C110 WeakPolarHBondContact CB-O 3.34Å; T108-C110 PolarHBondContact O-N 3.13Å; T108-C110 WeakPolarHBondContact OG1-CB 3.31Å; T108-C110 PolarHBondContact OG1-N 3.18Å; C110-C121 VanDerWaalsContact CA-SG 3.55Å; C110-C121 HydrophobicContact CB-CB 3.7Å; C110-C121 WeakPolarHBondContact CB-SG 3.34Å; C110-C121 WeakPolarHBondContact SG-CB 3.25Å; C110-C121 PolarHBondContact SG-O 2.71Å; C110-C121 CovalentContact SG-SG 2.04Å; C110-C121 PolarHBondContact SG-SG 3.35Å; C110-K122 HydrophobicContact CB-CG 3.82Å; C110-K122 PolarHBondContact SG-N 3.15Å
111S96.3Very high96Very high55 Ų5553.4 Ų53.439%0.38531%0.312SS..  trans-61.8149.7174.8178.70000112.1E113 K122S111-E113 VanDerWaalsContact C-N 3.26Å; S111-E113 WeakPolarHBondContact OG-CB 3.27Å; S111-E113 WeakPolarHBondContact OG-CG 3.42Å; S111-E113 PolarHBondContact OG-N 3.02Å; S111-E113 VanDerWaalsContact OG-N 3.15Å; S111-K122 PolarHBondContact O-NZ 2.81Å
112A95.1Very high96Very high57 Ų5753.5 Ų53.547%0.47131%0.312SS..SBendtrans-81.1-4.3172.500000113.5D91D91-A112 HydrophobicContact CB-CB 4.23Å; D91-A112 WeakPolarHBondContact OD2-CA 3.36Å
113E94.1Very high96.1Very high125 Ų12552.3 Ų52.358%0.58430%0.3SS*.SBendtrans-68157.7177.3-69173.5-170.400112.8S111 S115 A118S111-E113 VanDerWaalsContact C-N 3.26Å; S111-E113 WeakPolarHBondContact OG-CB 3.27Å; S111-E113 WeakPolarHBondContact OG-CG 3.42Å; S111-E113 PolarHBondContact OG-N 3.02Å; S111-E113 VanDerWaalsContact OG-N 3.15Å; E113-S115 PolarHBondContact O-N 3.1Å; E113-S115 PolarHBondContact OE2-OG 3.34Å; E113-S115 VanDerWaalsContact OE2-OG 3.14Å; E113-A118 HydrophobicContact CB-CB 4.25Å; E113-A118 WeakPolarHBondContact O-CB 3.1Å
114H90.9Very high96.1Very high164 Ų16447.7 Ų47.776%0.75927%0.268SS*.  trans-9340.6169.8-152.7122.4000111
115S93.2Very high96.1Very high35 Ų3547.5 Ų47.525%0.24527%0.271CS..SBendtrans-94.3153.117860.50000110.7E113 P117 A118 L119E113-S115 PolarHBondContact O-N 3.1Å; E113-S115 PolarHBondContact OE2-OG 3.34Å; E113-S115 VanDerWaalsContact OE2-OG 3.14Å; S115-P117 VanDerWaalsContact C-N 3.29Å; S115-A118 WeakPolarHBondContact O-CB 3.37Å; S115-A118 PolarHBondContact O-N 3.44Å; S115-A118 WeakPolarHBondContact OG-CB 3.32Å; S115-L119 PolarHBondContact O-N 2.79Å
116H89.8Confident96.1Very high83 Ų8347 Ų4738%0.38427%0.269SS..Hα-helixtrans-54.7-36.2179.875.5-96000113.9S120H116-S120 VanDerWaalsContact O-CB 3.25Å; H116-S120 WeakPolarHBondContact O-CB 3.09Å; H116-S120 PolarHBondContact O-N 3.44Å; H116-S120 PolarHBondContact O-OG 3.18Å
117P93.3Very high96.1Very high68 Ų6845.3 Ų45.344%0.44226%0.258SS..Hα-helixtrans-69.8-38.1175.7-17.433.4000112.2S115 S120 C121S115-P117 VanDerWaalsContact C-N 3.29Å; P117-S120 PolarHBondContact O-N 2.88Å; P117-C121 WeakPolarHBondContact O-CB 3.07Å; P117-C121 PolarHBondContact O-N 2.98Å
118A94.6Very high96.2Very high4 Ų444.7 Ų44.73%0.03325%0.253CS..Hα-helixtrans-65.8-45.418000000111.7E113 S115 C121 K122E113-A118 HydrophobicContact CB-CB 4.25Å; E113-A118 WeakPolarHBondContact O-CB 3.1Å; S115-A118 WeakPolarHBondContact O-CB 3.37Å; S115-A118 PolarHBondContact O-N 3.44Å; S115-A118 WeakPolarHBondContact OG-CB 3.32Å; A118-C121 PolarHBondContact O-N 3.35Å; A118-K122 PolarHBondContact O-N 3.14Å
119L95.4Very high96.2Very high29 Ų2946 Ų4615%0.15226%0.261CS..Hα-helixtrans-63.6-44.6175.4-65.5176.9000111.5K61 S115 C121 K122 M123 D231K61-L119 HydrophobicContact CD-CD2 3.93Å; S115-L119 PolarHBondContact O-N 2.79Å; L119-C121 VanDerWaalsContact C-N 3.32Å; L119-C121 PolarHBondContact O-N 3.45Å; L119-K122 PolarHBondContact O-N 3.14Å; L119-M123 PolarHBondContact O-N 3Å; L119-D231 HydrophobicContact CB-CB 4.44Å
120S96.9Very high96.3Very high0 Ų037.6 Ų37.60%022%0.216CC..Hα-helixtrans-63.9-36.1178.3-61.50000112.8H116 P117 M123 A124 F220 S224H116-S120 VanDerWaalsContact O-CB 3.25Å; H116-S120 WeakPolarHBondContact O-CB 3.09Å; H116-S120 PolarHBondContact O-N 3.44Å; H116-S120 PolarHBondContact O-OG 3.18Å; P117-S120 PolarHBondContact O-N 2.88Å; S120-M123 PolarHBondContact O-N 3.35Å; S120-A124 WeakPolarHBondContact O-CB 3.4Å; S120-A124 PolarHBondContact O-N 2.98Å; S120-F220 VanDerWaalsContact O-CD1 3.32Å; S120-F220 WeakPolarHBondContact O-CD1 3.45Å; S120-S224 WeakPolarHBondContact OG-CB 3.5Å; S120-S224 PolarHBondContact OG-OG 3.42Å
121C97.9Very high96.4Very high29 Ų2937.9 Ų37.920%0.19622%0.216CC..Hα-helixtrans-61.1-46.4173.4-179.40000111.5C110 P117 A118 L119 A124 A125 M221C110-C121 VanDerWaalsContact CA-SG 3.55Å; C110-C121 HydrophobicContact CB-CB 3.7Å; C110-C121 WeakPolarHBondContact CB-SG 3.34Å; C110-C121 WeakPolarHBondContact SG-CB 3.25Å; C110-C121 PolarHBondContact SG-O 2.71Å; C110-C121 CovalentContact SG-SG 2.04Å; C110-C121 PolarHBondContact SG-SG 3.35Å; P117-C121 WeakPolarHBondContact O-CB 3.07Å; P117-C121 PolarHBondContact O-N 2.98Å; A118-C121 PolarHBondContact O-N 3.35Å; L119-C121 VanDerWaalsContact C-N 3.32Å; L119-C121 PolarHBondContact O-N 3.45Å; C121-A124 WeakPolarHBondContact O-CB 3.45Å; C121-A124 PolarHBondContact O-N 3.12Å; C121-A125 PolarHBondContact O-N 3.17Å; C121-A125 VanDerWaalsContact O-N 3.16Å; C121-M221 HydrophobicContact CB-CG 4.39Å; C121-M221 HydrophobicContact CB-SD 3.68Å
122K98.2Very high96.5Very high5 Ų539.6 Ų39.62%0.02223%0.233CC..Hα-helixtrans-65.4-42.9177-69.9-170.3177.199.40111.6K61 T62 D91 C110 S111 A118 L119 A124 A125 E126K61-K122 HydrophobicContact CD-CB 4.15Å; K61-K122 HydrophobicContact CD-CD 4.31Å; K61-K122 HydrophobicContact CG-CB 4.21Å; K61-K122 HydrophobicContact CG-CD 3.93Å; T62-K122 WeakPolarHBondContact O-CE 3.43Å; D91-K122 VanDerWaalsContact OD2-CE 3.24Å; D91-K122 WeakPolarHBondContact OD2-CE 3.46Å; D91-K122 IonicContact OD2-NZ 3.18Å; D91-K122 PolarHBondContact OD2-NZ 3.41Å; C110-K122 HydrophobicContact CB-CG 3.82Å; C110-K122 PolarHBondContact SG-N 3.15Å; S111-K122 PolarHBondContact O-NZ 2.81Å; A118-K122 PolarHBondContact O-N 3.14Å; L119-K122 PolarHBondContact O-N 3.14Å; K122-A124 VanDerWaalsContact C-N 3.32Å; K122-A124 PolarHBondContact O-N 2.56Å; K122-A125 WeakPolarHBondContact O-CA 3.35Å; K122-A125 WeakPolarHBondContact O-CB 3.4Å; K122-A125 PolarHBondContact O-N 3.48Å; K122-E126 WeakPolarHBondContact O-CG 3.23Å; K122-E126 PolarHBondContact O-N 3.28Å
123M98.6Very high96.6Very high0 Ų039 Ų390%023%0.226CC..Hα-helixtrans-60.7-38.3175.317959.161.300112.5L119 S120 A125 E126 F127 F138 H140 F201 F220 D231 M235L119-M123 PolarHBondContact O-N 3Å; S120-M123 PolarHBondContact O-N 3.35Å; M123-A125 VanDerWaalsContact C-N 3.34Å; M123-A125 PolarHBondContact O-N 3.13Å; M123-E126 WeakPolarHBondContact O-CB 3.31Å; M123-E126 PolarHBondContact O-N 3.07Å; M123-F127 WeakPolarHBondContact O-CB 3.42Å; M123-F127 PolarHBondContact O-N 3.03Å; M123-F138 HydrophobicContact SD-CE1 4.43Å; M123-F138 HydrophobicContact SD-CZ 4.29Å; M123-H140 HydrophobicContact CE-CB 4.28Å; M123-F201 HydrophobicContact CE-CE1 4.32Å; M123-F201 HydrophobicContact CE-CZ 3.92Å; M123-F201 HydrophobicContact SD-CZ 4.33Å; M123-F220 HydrophobicContact CB-CD1 4.29Å; M123-F220 HydrophobicContact CB-CE1 3.75Å; M123-F220 HydrophobicContact CB-CZ 4.12Å; M123-F220 HydrophobicContact CG-CD1 4.23Å; M123-F220 HydrophobicContact CG-CE1 3.52Å; M123-F220 HydrophobicContact CG-CE2 3.96Å; M123-F220 HydrophobicContact CG-CZ 3.35Å; M123-D231 HydrophobicContact CB-CB 3.85Å; M123-D231 HydrophobicContact CG-CB 4.13Å; M123-M235 HydrophobicContact SD-CG 4.49Å; M123-M235 HydrophobicContact SD-SD 4.35Å
124A98.4Very high96.8Very high5 Ų535 Ų354%0.04122%0.218CC..Hα-helixtrans-58-46.217100000111.6S120 C121 K122 E126 F127 D128 F220S120-A124 WeakPolarHBondContact O-CB 3.4Å; S120-A124 PolarHBondContact O-N 2.98Å; C121-A124 WeakPolarHBondContact O-CB 3.45Å; C121-A124 PolarHBondContact O-N 3.12Å; K122-A124 VanDerWaalsContact C-N 3.32Å; K122-A124 PolarHBondContact O-N 2.56Å; A124-E126 PolarHBondContact O-N 3.32Å; A124-F127 PolarHBondContact O-N 2.84Å; A124-D128 WeakPolarHBondContact O-CB 3.48Å; A124-D128 PolarHBondContact O-N 3.06Å; A124-F220 HydrophobicContact CB-CB 3.87Å; A124-F220 HydrophobicContact CB-CG 4.47Å
125A98.6Very high97.2Very high23 Ų2329.1 Ų29.119%0.1919%0.192CC..Hα-helixtrans-63.4-41177.800000112.2F89 T108 C121 K122 M123 T129F89-A125 HydrophobicContact CD1-CB 4.07Å; F89-A125 HydrophobicContact CE1-CB 4.29Å; F89-A125 WeakPolarHBondContact CE1-O 3.35Å; T108-A125 HydrophobicContact CG2-CB 3.73Å; C121-A125 PolarHBondContact O-N 3.17Å; C121-A125 VanDerWaalsContact O-N 3.16Å; K122-A125 WeakPolarHBondContact O-CA 3.35Å; K122-A125 WeakPolarHBondContact O-CB 3.4Å; K122-A125 PolarHBondContact O-N 3.48Å; M123-A125 VanDerWaalsContact C-N 3.34Å; M123-A125 PolarHBondContact O-N 3.13Å; A125-T129 VanDerWaalsContact O-CB 3.29Å; A125-T129 WeakPolarHBondContact O-CB 3.21Å; A125-T129 PolarHBondContact O-N 2.65Å; A125-T129 PolarHBondContact O-OG1 3.39Å
126E98.8Very high97.4Very high0 Ų030.6 Ų30.60%019%0.193CC..Hα-helixtrans-57.4-50.2173.4-66.8174.6-129.600111.2A59 K61 F89 K122 M123 A124 T129 F130 F138 H140A59-E126 HydrophobicContact CB-CB 4.06Å; A59-E126 HydrophobicContact CB-CG 3.89Å; A59-E126 VanDerWaalsContact CB-OE2 3.28Å; A59-E126 WeakPolarHBondContact CB-OE2 3.42Å; K61-E126 WeakPolarHBondContact CB-OE1 3.34Å; K61-E126 WeakPolarHBondContact CE-OE1 3.38Å; K61-E126 IonicContact NZ-OE1 2.69Å; K61-E126 PolarHBondContact NZ-OE1 2.83Å; F89-E126 HydrophobicContact CB-CG 4.15Å; F89-E126 HydrophobicContact CD1-CG 3.99Å; F89-E126 HydrophobicContact CD2-CB 4.45Å; F89-E126 HydrophobicContact CD2-CG 3.56Å; F89-E126 HydrophobicContact CE1-CG 4.3Å; F89-E126 HydrophobicContact CE2-CB 4.31Å; F89-E126 HydrophobicContact CE2-CG 3.89Å; F89-E126 HydrophobicContact CG-CG 3.61Å; F89-E126 HydrophobicContact CZ-CB 4.36Å; F89-E126 HydrophobicContact CZ-CG 4.26Å; K122-E126 WeakPolarHBondContact O-CG 3.23Å; K122-E126 PolarHBondContact O-N 3.28Å; M123-E126 WeakPolarHBondContact O-CB 3.31Å; M123-E126 PolarHBondContact O-N 3.07Å; A124-E126 PolarHBondContact O-N 3.32Å; E126-T129 PolarHBondContact O-N 3.38Å; E126-F130 WeakPolarHBondContact O-CB 3.23Å; E126-F130 PolarHBondContact O-N 2.72Å; E126-F138 HydrophobicContact CB-CE2 4.04Å; E126-F138 HydrophobicContact CB-CZ 3.96Å; E126-H140 IonicContact OE1-CE1 2.85Å; E126-H140 IonicContact OE1-ND1 2.74Å; E126-H140 IonicContact OE2-CE1 3.94Å; E126-H140 IonicContact OE2-CG 3.03Å; E126-H140 IonicContact OE2-ND1 2.86Å; E126-H140 PolarHBondContact OE2-ND1 3.41Å
127F98.8Very high97.8Very high0 Ų027.3 Ų27.30%018%0.177CC..Hα-helixtrans-64.8-46.6-177.3-170.8-92.2000112.6M123 A124 F130 L131 I203 A208 M211 A215 M235M123-F127 WeakPolarHBondContact O-CB 3.42Å; M123-F127 PolarHBondContact O-N 3.03Å; A124-F127 PolarHBondContact O-N 2.84Å; F127-F130 WeakPolarHBondContact O-CB 3.28Å; F127-F130 PolarHBondContact O-N 2.65Å; F127-L131 HydrophobicContact CD1-CD1 3.98Å; F127-L131 HydrophobicContact CD1-CG 4.24Å; F127-L131 HydrophobicContact CE1-CD1 3.48Å; F127-L131 VanDerWaalsContact CE1-CD1 3.48Å; F127-L131 HydrophobicContact CE1-CG 3.94Å; F127-L131 HydrophobicContact CZ-CD1 4.26Å; F127-L131 HydrophobicContact CZ-CG 4.45Å; F127-L131 PolarHBondContact O-N 3.21Å; F127-I203 HydrophobicContact CD2-CD1 4.37Å; F127-I203 HydrophobicContact CE2-CD1 3.8Å; F127-A208 HydrophobicContact CE2-CB 3.87Å; F127-A208 HydrophobicContact CZ-CB 3.89Å; F127-A208 VanDerWaalsContact CZ-O 3.32Å; F127-A208 WeakPolarHBondContact CZ-O 3.24Å; F127-M211 HydrophobicContact CE2-CB 4.36Å; F127-M211 HydrophobicContact CE2-CE 4.13Å; F127-M211 HydrophobicContact CE2-SD 4.23Å; F127-M211 HydrophobicContact CZ-CB 3.87Å; F127-A215 HydrophobicContact CD1-CB 3.93Å; F127-A215 HydrophobicContact CE1-CB 3.57Å; F127-A215 HydrophobicContact CE2-CB 4.2Å; F127-A215 HydrophobicContact CG-CB 4.37Å; F127-A215 HydrophobicContact CZ-CB 3.72Å; F127-M235 HydrophobicContact CD2-CE 4.38Å
128D98.7Very high98.1Very high50 Ų5024.1 Ų24.127%0.26716%0.156SC..Hα-helixtrans-65.5-40.4178.8-77.9-22.8000111.6A124 F130 L131 A132 S216 G217A124-D128 WeakPolarHBondContact O-CB 3.48Å; A124-D128 PolarHBondContact O-N 3.06Å; D128-F130 VanDerWaalsContact C-N 3.33Å; D128-F130 PolarHBondContact O-N 3.14Å; D128-L131 PolarHBondContact O-N 3.4Å; D128-A132 WeakPolarHBondContact O-CB 3.39Å; D128-A132 PolarHBondContact O-N 3.3Å; D128-S216 WeakPolarHBondContact OD1-CA 3.4Å; D128-S216 WeakPolarHBondContact OD1-CB 3.45Å; D128-S216 PolarHBondContact OD1-OG 3.43Å; D128-G217 PolarHBondContact OD1-N 3.36Å; D128-G217 VanDerWaalsContact OD2-CA 3.25Å; D128-G217 WeakPolarHBondContact OD2-CA 3.49Å; D128-G217 PolarHBondContact OD2-N 3.17Å
129T98.8Very high98.3Very high42 Ų4224.1 Ų24.126%0.25816%0.156SC..Hα-helixtrans-64.4-40.9176.3-54.80000110.9F57 F89 A125 E126 A132 S133F57-T129 HydrophobicContact CE2-CG2 4.01Å; F57-T129 HydrophobicContact CZ-CG2 3.72Å; F89-T129 HydrophobicContact CE1-CG2 4.39Å; F89-T129 WeakPolarHBondContact CE1-OG1 3.35Å; F89-T129 HydrophobicContact CZ-CG2 3.93Å; A125-T129 VanDerWaalsContact O-CB 3.29Å; A125-T129 WeakPolarHBondContact O-CB 3.21Å; A125-T129 PolarHBondContact O-N 2.65Å; A125-T129 PolarHBondContact O-OG1 3.39Å; E126-T129 PolarHBondContact O-N 3.38Å; T129-A132 PolarHBondContact O-N 3.06Å; T129-S133 PolarHBondContact O-N 3.35Å
130F98.8Very high98.4Very high0 Ų022.8 Ų22.80%015%0.149CC..Hα-helixtrans-60.9-47.8172.7165.4-112.4000112.3F57 E126 F127 D128 A132 S133 L135 W137 F138 R205 A208F57-F130 HydrophobicContact CB-CD2 3.59Å; F57-F130 HydrophobicContact CB-CE2 4.17Å; F57-F130 HydrophobicContact CD1-CB 4.02Å; F57-F130 HydrophobicContact CD1-CD2 4.31Å; F57-F130 HydrophobicContact CD2-CD2 4.49Å; F57-F130 HydrophobicContact CE1-CB 4.2Å; F57-F130 HydrophobicContact CG-CB 4.26Å; F57-F130 AromaticContact CG-CD2 3.91Å; F57-F130 HydrophobicContact CG-CD2 3.91Å; E126-F130 WeakPolarHBondContact O-CB 3.23Å; E126-F130 PolarHBondContact O-N 2.72Å; F127-F130 WeakPolarHBondContact O-CB 3.28Å; F127-F130 PolarHBondContact O-N 2.65Å; D128-F130 VanDerWaalsContact C-N 3.33Å; D128-F130 PolarHBondContact O-N 3.14Å; F130-A132 VanDerWaalsContact C-N 3.27Å; F130-A132 PolarHBondContact O-N 2.77Å; F130-S133 WeakPolarHBondContact O-CB 3.5Å; F130-S133 PolarHBondContact O-N 3.22Å; F130-S133 VanDerWaalsContact O-N 3.11Å; F130-S133 PolarHBondContact O-OG 3.3Å; F130-L135 HydrophobicContact CE2-CB 4.28Å; F130-L135 VanDerWaalsContact CE2-O 3.26Å; F130-L135 WeakPolarHBondContact CE2-O 3.11Å; F130-L135 WeakPolarHBondContact CZ-O 3.49Å; F130-W137 WeakPolarHBondContact CE2-O 3.43Å; F130-F138 HydrophobicContact CB-CB 4.44Å; F130-F138 HydrophobicContact CB-CD2 3.58Å; F130-F138 HydrophobicContact CB-CE2 4.18Å; F130-F138 HydrophobicContact CB-CG 4.32Å; F130-F138 HydrophobicContact CD1-CB 3.61Å; F130-F138 HydrophobicContact CD1-CD2 4.21Å; F130-F138 HydrophobicContact CD1-CG 4.1Å; F130-F138 HydrophobicContact CD2-CB 3.73Å; F130-F138 HydrophobicContact CD2-CD2 4.18Å; F130-F138 HydrophobicContact CD2-CG 4.44Å; F130-F138 HydrophobicContact CE1-CB 3.64Å; F130-F138 HydrophobicContact CE2-CB 3.77Å; F130-F138 HydrophobicContact CG-CB 3.63Å; F130-F138 AromaticContact CG-CD2 3.71Å; F130-F138 HydrophobicContact CG-CD2 3.71Å; F130-F138 HydrophobicContact CG-CG 4.01Å; F130-F138 HydrophobicContact CZ-CB 3.71Å; F130-R205 HydrophobicContact CZ-CB 3.98Å; F130-R205 HydrophobicContact CZ-CG 4.41Å; F130-A208 HydrophobicContact CD1-CB 4.19Å; F130-A208 HydrophobicContact CE1-CB 3.58Å
131L98.7Very high98.5Very high22 Ų2223 Ų2312%0.11515%0.15CC..Hα-helixtrans-58.5-42.5178.2-74.7-172.9000111.5F127 D128 S133 G134 R205 A208 L209 A212F127-L131 HydrophobicContact CD1-CD1 3.98Å; F127-L131 HydrophobicContact CD1-CG 4.24Å; F127-L131 HydrophobicContact CE1-CD1 3.48Å; F127-L131 VanDerWaalsContact CE1-CD1 3.48Å; F127-L131 HydrophobicContact CE1-CG 3.94Å; F127-L131 HydrophobicContact CZ-CD1 4.26Å; F127-L131 HydrophobicContact CZ-CG 4.45Å; F127-L131 PolarHBondContact O-N 3.21Å; D128-L131 PolarHBondContact O-N 3.4Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 PolarHBondContact O-N 3.35Å; L131-G134 PolarHBondContact O-N 3.48Å; L131-R205 PolarHBondContact O-NH1 2.89Å; L131-R205 PolarHBondContact O-NH2 2.81Å; L131-A208 HydrophobicContact CD2-CB 3.88Å; L131-L209 HydrophobicContact CD2-CD2 4.07Å; L131-L209 HydrophobicContact CD2-CG 4.41Å; L131-A212 HydrophobicContact CD1-CB 4.4Å
132A98.4Very high98.6Very high90 Ų9023.7 Ų23.774%0.74415%0.152SC*.Hα-helixtrans-65.3-32.6176.300000113.4D128 T129 F130 G134D128-A132 WeakPolarHBondContact O-CB 3.39Å; D128-A132 PolarHBondContact O-N 3.3Å; T129-A132 PolarHBondContact O-N 3.06Å; F130-A132 VanDerWaalsContact C-N 3.27Å; F130-A132 PolarHBondContact O-N 2.77Å; A132-G134 PolarHBondContact O-N 3.29Å
133S98.4Very high98.6Very high44 Ų4423.9 Ų23.931%0.30815%0.153SC..Hα-helixtrans-63.9-23.7-179.777.50000114.4T129 F130 L131 L135T129-S133 PolarHBondContact O-N 3.35Å; F130-S133 WeakPolarHBondContact O-CB 3.5Å; F130-S133 PolarHBondContact O-N 3.22Å; F130-S133 VanDerWaalsContact O-N 3.11Å; F130-S133 PolarHBondContact O-OG 3.3Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 PolarHBondContact O-N 3.35Å; S133-L135 PolarHBondContact O-N 3.21Å; S133-L135 PolarHBondContact OG-N 2.59Å
134G98.1Very high98.6Very high41 Ų4124.3 Ų24.342%0.42316%0.155SC..  trans75.7-4.8-174.900000115.1L131 A132L131-G134 PolarHBondContact O-N 3.48Å; A132-G134 PolarHBondContact O-N 3.29Å
135L98.1Very high98.6Very high42 Ų4224.1 Ų24.122%0.2215%0.153CC..  trans-67.9157-175.1-61.8-171.2000112.8H54 F57 F130 S133 R205H54-L135 VanDerWaalsContact O-CD2 3.25Å; H54-L135 WeakPolarHBondContact O-CD2 3.45Å; F57-L135 HydrophobicContact CB-CB 4.33Å; F57-L135 HydrophobicContact CB-CD1 3.95Å; F57-L135 HydrophobicContact CD2-CD1 4.22Å; F130-L135 HydrophobicContact CE2-CB 4.28Å; F130-L135 VanDerWaalsContact CE2-O 3.26Å; F130-L135 WeakPolarHBondContact CE2-O 3.11Å; F130-L135 WeakPolarHBondContact CZ-O 3.49Å; S133-L135 PolarHBondContact O-N 3.21Å; S133-L135 PolarHBondContact OG-N 2.59Å; L135-R205 WeakPolarHBondContact O-CB 3.44Å; L135-R205 WeakPolarHBondContact O-CD 3.47Å
136R97.7Very high98.6Very high66 Ų6623.1 Ų23.125%0.24915%0.145CC..SBendtrans-81.1-28.5-169.8-64.3173.260-176.21.6113.1P49 D55 N204 R205P49-R136 PolarHBondContact O-NH1 3.03Å; P49-R136 VanDerWaalsContact O-NH1 3.17Å; D55-R136 HydrophobicContact CB-CB 4.18Å; D55-R136 HydrophobicContact CB-CG 4.3Å; D55-R136 PolarHBondContact O-N 3.25Å; D55-R136 WeakPolarHBondContact OD1-CD 3.41Å; D55-R136 IonicContact OD2-NH1 3.62Å; R136-N204 CarbonylContact O-C 3.52Å; R136-N204 WeakPolarHBondContact O-CA 3.38Å; R136-R205 PolarHBondContact O-N 3.31Å
137W98.8Very high98.6Very high14 Ų1423.2 Ų23.25%0.05315%0.146CC..EExtended strand (participates in β ladder)trans-130.9138.1-177.9-71.792000111.9L51 D55 V56 F57 F130 L156 F159 V165 C202 N204L51-W137 VanDerWaalsContact CD1-CD1 3.44Å; D55-W137 PolarHBondContact O-N 2.9Å; V56-W137 HydrophobicContact CG1-CB 4.36Å; V56-W137 HydrophobicContact CG2-CB 4.35Å; F57-W137 WeakPolarHBondContact CB-O 3.19Å; F57-W137 PolarHBondContact N-O 2.85Å; F130-W137 WeakPolarHBondContact CE2-O 3.43Å; W137-L156 HydrophobicContact CB-CD1 4.05Å; W137-L156 HydrophobicContact CD2-CB 4.43Å; W137-L156 HydrophobicContact CD2-CD1 4.01Å; W137-L156 HydrophobicContact CD2-CD2 3.97Å; W137-L156 HydrophobicContact CD2-CG 4.35Å; W137-L156 HydrophobicContact CE3-CD1 4.36Å; W137-L156 HydrophobicContact CE3-CD2 3.64Å; W137-L156 HydrophobicContact CE3-CG 4.49Å; W137-L156 HydrophobicContact CG-CD1 3.88Å; W137-L156 HydrophobicContact CH2-CD2 4.07Å; W137-L156 HydrophobicContact CZ2-CB 4.36Å; W137-L156 HydrophobicContact CZ2-CD2 4.38Å; W137-L156 HydrophobicContact CZ3-CD2 3.7Å; W137-F159 HydrophobicContact CH2-CB 4.27Å; W137-F159 AromaticContact CH2-CD2 3.75Å; W137-F159 HydrophobicContact CH2-CD2 3.75Å; W137-F159 HydrophobicContact CH2-CG 4.29Å; W137-F159 HydrophobicContact CZ2-CB 4.42Å; W137-F159 HydrophobicContact CZ2-CD2 4.35Å; W137-V165 HydrophobicContact CH2-CB 3.65Å; W137-V165 HydrophobicContact CH2-CG1 3.71Å; W137-V165 HydrophobicContact CH2-CG2 3.95Å; W137-V165 HydrophobicContact CZ3-CB 3.87Å; W137-V165 HydrophobicContact CZ3-CG1 3.83Å; W137-C202 HydrophobicContact CE3-CB 4.37Å; W137-N204 HydrophobicContact CD2-CB 3.96Å; W137-N204 HydrophobicContact CE3-CB 3.79Å; W137-N204 HydrophobicContact CH2-CB 3.96Å; W137-N204 HydrophobicContact CZ2-CB 4.1Å; W137-N204 HydrophobicContact CZ3-CB 3.79Å
138F98.9Very high98.6Very high0 Ų023.7 Ų23.70%015%0.148CC..EExtended strand (participates in β ladder)trans-108.2129.2168.5173.6-107.9000108.4F57 A59 M123 E126 F130 H140 F201 C202 I203 M235F57-F138 AromaticContact CD1-CD2 3.79Å; F57-F138 HydrophobicContact CD1-CD2 3.79Å; F57-F138 HydrophobicContact CD1-CE2 4.15Å; F57-F138 HydrophobicContact CE1-CD2 4.33Å; F57-F138 HydrophobicContact CE1-CE2 4.28Å; F57-F138 CarbonylContact O-C 3.57Å; A59-F138 HydrophobicContact CB-CE2 3.64Å; A59-F138 HydrophobicContact CB-CZ 4.09Å; M123-F138 HydrophobicContact SD-CE1 4.43Å; M123-F138 HydrophobicContact SD-CZ 4.29Å; E126-F138 HydrophobicContact CB-CE2 4.04Å; E126-F138 HydrophobicContact CB-CZ 3.96Å; F130-F138 HydrophobicContact CB-CB 4.44Å; F130-F138 HydrophobicContact CB-CD2 3.58Å; F130-F138 HydrophobicContact CB-CE2 4.18Å; F130-F138 HydrophobicContact CB-CG 4.32Å; F130-F138 HydrophobicContact CD1-CB 3.61Å; F130-F138 HydrophobicContact CD1-CD2 4.21Å; F130-F138 HydrophobicContact CD1-CG 4.1Å; F130-F138 HydrophobicContact CD2-CB 3.73Å; F130-F138 HydrophobicContact CD2-CD2 4.18Å; F130-F138 HydrophobicContact CD2-CG 4.44Å; F130-F138 HydrophobicContact CE1-CB 3.64Å; F130-F138 HydrophobicContact CE2-CB 3.77Å; F130-F138 HydrophobicContact CG-CB 3.63Å; F130-F138 AromaticContact CG-CD2 3.71Å; F130-F138 HydrophobicContact CG-CD2 3.71Å; F130-F138 HydrophobicContact CG-CG 4.01Å; F130-F138 HydrophobicContact CZ-CB 3.71Å; F138-H140 HydrophobicContact CE1-CB 3.84Å; F138-H140 HydrophobicContact CZ-CB 3.96Å; F138-F201 HydrophobicContact CD1-CE2 4.34Å; F138-F201 AromaticContact CE1-CE2 3.93Å; F138-F201 HydrophobicContact CE1-CE2 3.93Å; F138-F201 HydrophobicContact CE1-CZ 4.37Å; F138-C202 CarbonylContact O-C 3.5Å; F138-C202 WeakPolarHBondContact O-CA 3.38Å; F138-C202 WeakPolarHBondContact O-CB 3.47Å; F138-I203 HydrophobicContact CB-CG1 3.89Å; F138-I203 HydrophobicContact CD1-CD1 4.2Å; F138-I203 HydrophobicContact CD1-CG1 3.9Å; F138-I203 HydrophobicContact CG-CG1 4.35Å; F138-I203 PolarHBondContact N-O 2.93Å; F138-I203 PolarHBondContact O-N 3.11Å; F138-M235 HydrophobicContact CE1-CE 4.42Å
139C98.9Very high98.6Very high5 Ų521.5 Ų21.53%0.03414%0.137CC..EExtended strand (participates in β ladder)trans-126.7120.4170.2-65.70000109.5F57 I58 A59 F201 C202F57-C139 PolarHBondContact O-N 3.42Å; I58-C139 CarbonylContact C-O 3.42Å; I58-C139 WeakPolarHBondContact CA-O 3.32Å; A59-C139 PolarHBondContact N-O 3.06Å; C139-F201 CarbonylContact C-O 3.6Å; C139-F201 VanDerWaalsContact CA-O 3.25Å; C139-F201 WeakPolarHBondContact CA-O 3.38Å; C139-C202 HydrophobicContact CB-CB 4.14Å; C139-C202 WeakPolarHBondContact CB-SG 3.42Å; C139-C202 WeakPolarHBondContact SG-CB 3.32Å; C139-C202 CovalentContact SG-SG 2.05Å; C139-C202 PolarHBondContact SG-SG 2.63Å
140H98.9Very high98.6Very high1 Ų128.2 Ų28.21%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-91.5140174168.967.6000110K61 M123 E126 F138 D142 G200 F201K61-H140 PolarHBondContact NZ-CE1 3.37Å; M123-H140 HydrophobicContact CE-CB 4.28Å; E126-H140 IonicContact OE1-CE1 2.85Å; E126-H140 IonicContact OE1-ND1 2.74Å; E126-H140 IonicContact OE2-CE1 3.94Å; E126-H140 IonicContact OE2-CG 3.03Å; E126-H140 IonicContact OE2-ND1 2.86Å; E126-H140 PolarHBondContact OE2-ND1 3.41Å; F138-H140 HydrophobicContact CE1-CB 3.84Å; F138-H140 HydrophobicContact CZ-CB 3.96Å; H140-D142 IonicContact CE1-OD1 3.42Å; H140-D142 IonicContact NE2-OD1 2.59Å; H140-D142 PolarHBondContact NE2-OD1 3.01Å; H140-G200 WeakPolarHBondContact O-CA 3.38Å; H140-F201 HydrophobicContact CB-CD1 4.26Å; H140-F201 HydrophobicContact CB-CD2 4.36Å; H140-F201 HydrophobicContact CB-CE1 3.78Å; H140-F201 HydrophobicContact CB-CE2 3.87Å; H140-F201 HydrophobicContact CB-CZ 3.55Å; H140-F201 AromaticContact CD2-CD1 3.96Å; H140-F201 AromaticContact CD2-CE1 3.41Å; H140-F201 VanDerWaalsContact CD2-CE1 3.41Å; H140-F201 WeakPolarHBondContact CD2-CE1 3.44Å; H140-F201 AromaticContact CG-CE1 3.81Å; H140-F201 AromaticContact CG-CZ 3.93Å; H140-F201 PolarHBondContact N-O 3.14Å; H140-F201 PolarHBondContact O-N 3.49Å; H140-F201 VanDerWaalsContact O-N 3.12Å
141V98.9Very high98.6Very high4 Ų428.4 Ų28.42%0.02416%0.159CC..EExtended strand (participates in β ladder)trans-144.3156.6166.4-64.70000111.2I58 A59 V60 K61 W78 N145 V147 T273I58-V141 HydrophobicContact CG2-CG2 4.22Å; A59-V141 PolarHBondContact O-N 3.34Å; V60-V141 WeakPolarHBondContact CA-O 3.33Å; V60-V141 HydrophobicContact CG2-CG2 3.84Å; K61-V141 PolarHBondContact N-O 3.21Å; W78-V141 HydrophobicContact CH2-CG2 4.11Å; W78-V141 HydrophobicContact CZ2-CG2 4.15Å; V141-N145 HydrophobicContact CB-CB 3.93Å; V141-N145 HydrophobicContact CG1-CB 4.34Å; V141-V147 HydrophobicContact CB-CG2 4.45Å; V141-V147 HydrophobicContact CG1-CG2 3.75Å; V141-V147 HydrophobicContact CG2-CG2 4.12Å; V141-T273 HydrophobicContact CG1-CG2 4.13Å
142D98.6Very high98.6Very high43 Ų4327.5 Ų27.523%0.2315%0.154CC..EExtended strand (participates in β ladder)trans-88.4165.5171.9-72.9-32.1000111.7H140 D144 N145 G198H140-D142 IonicContact CE1-OD1 3.42Å; H140-D142 IonicContact NE2-OD1 2.59Å; H140-D142 PolarHBondContact NE2-OD1 3.01Å; D142-D144 PolarHBondContact O-N 2.8Å; D142-D144 VanDerWaalsContact O-N 3.12Å; D142-N145 PolarHBondContact N-OD1 2.99Å; D142-N145 WeakPolarHBondContact O-CB 3.38Å; D142-N145 PolarHBondContact O-N 2.85Å; D142-G198 VanDerWaalsContact OD2-CA 3.26Å; D142-G198 WeakPolarHBondContact OD2-CA 3.36Å; D142-G198 PolarHBondContact OD2-N 3.25Å
143D98.6Very high98.6Very high9 Ų924.1 Ų24.15%0.04812%0.123CC..THydrogen-bonded Turntrans-70.3-0.4-17965.815.4000115.4V60 K61 T62 F66 R70 L74V60-D143 HydrophobicContact CG1-CB 4.37Å; K61-D143 WeakPolarHBondContact O-CB 3.42Å; K61-D143 PolarHBondContact O-N 3.17Å; K61-D143 VanDerWaalsContact O-N 3.16Å; T62-D143 WeakPolarHBondContact CA-OD2 3.36Å; T62-D143 WeakPolarHBondContact CB-OD2 3.48Å; T62-D143 PolarHBondContact OG1-OD2 3.28Å; F66-D143 VanDerWaalsContact CB-OD2 3.28Å; F66-D143 WeakPolarHBondContact CB-OD2 3.46Å; F66-D143 WeakPolarHBondContact CD2-OD2 3.26Å; R70-D143 HydrophobicContact CB-CB 4.34Å; R70-D143 WeakPolarHBondContact CB-O 3.37Å; R70-D143 WeakPolarHBondContact CD-OD1 3.47Å; R70-D143 IonicContact CZ-OD1 3.35Å; R70-D143 IonicContact NE-OD1 3.05Å; R70-D143 IonicContact NH1-OD1 2.64Å; R70-D143 PolarHBondContact NH1-OD1 2.78Å; L74-D143 WeakPolarHBondContact CD1-O 3.48Å
144D98.6Very high98.6Very high10 Ų1027.3 Ų27.35%0.05313%0.133CC..THydrogen-bonded Turntrans-109.815.5169.860.634.5000113.4R70 D142 H256 S275 Y276 F301R70-D144 IonicContact CZ-OD2 2.85Å; R70-D144 IonicContact NH1-OD2 2.74Å; R70-D144 PolarHBondContact NH1-OD2 3.48Å; R70-D144 IonicContact NH2-OD2 2.62Å; D142-D144 PolarHBondContact O-N 2.8Å; D142-D144 VanDerWaalsContact O-N 3.12Å; D144-H256 IonicContact OD1-ND1 3.65Å; D144-H256 IonicContact OD2-CE1 3.81Å; D144-H256 IonicContact OD2-ND1 2.78Å; D144-S275 VanDerWaalsContact O-CA 3.31Å; D144-S275 WeakPolarHBondContact O-CA 3.35Å; D144-S275 PolarHBondContact O-OG 2.82Å; D144-S275 PolarHBondContact OD1-OG 2.84Å; D144-Y276 HydrophobicContact CB-CD1 4.12Å; D144-Y276 HydrophobicContact CB-CE1 3.79Å; D144-Y276 WeakPolarHBondContact O-CD1 3.42Å; D144-Y276 PolarHBondContact O-N 2.84Å; D144-F301 VanDerWaalsContact O-CZ 3.28Å; D144-F301 WeakPolarHBondContact O-CZ 3.06Å
145N98.9Very high98.6Very high0 Ų026.6 Ų26.60%012%0.12CC..EExtended strand (participates in β ladder)trans-98.4148172.8-66.4134.3000113.5L74 W78 V141 D142 G198 L274 S275 F301L74-N145 WeakPolarHBondContact CD2-O 3.32Å; W78-N145 PolarHBondContact NE1-O 3.23Å; V141-N145 HydrophobicContact CB-CB 3.93Å; V141-N145 HydrophobicContact CG1-CB 4.34Å; D142-N145 PolarHBondContact N-OD1 2.99Å; D142-N145 WeakPolarHBondContact O-CB 3.38Å; D142-N145 PolarHBondContact O-N 2.85Å; N145-G198 PolarHBondContact ND2-O 3.46Å; N145-L274 CarbonylContact C-O 3.59Å; N145-L274 VanDerWaalsContact CA-O 3.23Å; N145-L274 WeakPolarHBondContact CA-O 3.24Å; N145-L274 PolarHBondContact ND2-O 3.34Å; N145-S275 WeakPolarHBondContact ND2-CB 3.28Å; N145-F301 VanDerWaalsContact C-CE2 3.44Å
146Y98.9Very high98.6Very high2 Ų224.7 Ų24.71%0.00811%0.11CC..EExtended strand (participates in β ladder)trans-107.8128.9166.4-169.9-75.1000109.2W78 T273 L274 F301 L304 H305 L308W78-Y146 HydrophobicContact CB-CD1 4.21Å; W78-Y146 HydrophobicContact CB-CD2 4.22Å; W78-Y146 HydrophobicContact CB-CE1 3.88Å; W78-Y146 HydrophobicContact CB-CE2 3.94Å; W78-Y146 HydrophobicContact CB-CG 4.35Å; W78-Y146 AromaticContact CD1-CD2 3.78Å; W78-Y146 AromaticContact CD1-CG 3.92Å; W78-Y146 HydrophobicContact CG-CD2 4.36Å; W78-Y146 HydrophobicContact CG-CG 4.38Å; Y146-T273 CarbonylContact O-C 3.48Å; Y146-T273 VanDerWaalsContact O-CA 3.23Å; Y146-T273 WeakPolarHBondContact O-CA 3.49Å; Y146-L274 PolarHBondContact N-O 2.81Å; Y146-L274 PolarHBondContact O-N 3.42Å; Y146-F301 VanDerWaalsContact CB-CZ 3.49Å; Y146-F301 HydrophobicContact CD2-CB 3.97Å; Y146-F301 HydrophobicContact CD2-CD1 4.19Å; Y146-F301 HydrophobicContact CD2-CD2 4.02Å; Y146-F301 AromaticContact CD2-CG 3.81Å; Y146-F301 HydrophobicContact CD2-CG 3.81Å; Y146-F301 HydrophobicContact CG-CD1 4.5Å; Y146-F301 HydrophobicContact CG-CG 4.47Å; Y146-F301 VanDerWaalsContact N-CZ 3.29Å; Y146-L304 HydrophobicContact CD1-CD2 3.6Å; Y146-L304 HydrophobicContact CD2-CD2 3.94Å; Y146-L304 HydrophobicContact CE1-CD2 3.9Å; Y146-L304 HydrophobicContact CE1-CG 4.33Å; Y146-L304 HydrophobicContact CE2-CD2 4.17Å; Y146-L304 HydrophobicContact CE2-CG 4.46Å; Y146-L304 HydrophobicContact CG-CD2 3.64Å; Y146-H305 HydrophobicContact CE2-CB 4.05Å; Y146-H305 AromaticContact CZ-ND1 3.93Å; Y146-H305 VanDerWaalsContact OH-CA 3.31Å; Y146-H305 WeakPolarHBondContact OH-CA 3.33Å; Y146-H305 WeakPolarHBondContact OH-CB 3.3Å; Y146-H305 PolarHBondContact OH-ND1 2.87Å; Y146-L308 HydrophobicContact CE1-CD1 3.75Å
147V98.9Very high98.5Very high3 Ų326 Ų262%0.01812%0.115CC..EExtended strand (participates in β ladder)trans-105.6129.5177.2-176.90000110.7I58 W78 V141 P149 L152 T273I58-V147 HydrophobicContact CD1-CG1 4.48Å; W78-V147 WeakPolarHBondContact CB-O 3.44Å; W78-V147 HydrophobicContact CD2-CB 3.92Å; W78-V147 HydrophobicContact CD2-CG2 4.22Å; W78-V147 HydrophobicContact CE3-CB 3.69Å; W78-V147 HydrophobicContact CE3-CG2 4.11Å; W78-V147 HydrophobicContact CH2-CB 4.29Å; W78-V147 HydrophobicContact CH2-CG2 3.78Å; W78-V147 HydrophobicContact CZ2-CG2 3.91Å; W78-V147 HydrophobicContact CZ3-CB 3.88Å; W78-V147 HydrophobicContact CZ3-CG2 3.88Å; V141-V147 HydrophobicContact CB-CG2 4.45Å; V141-V147 HydrophobicContact CG1-CG2 3.75Å; V141-V147 HydrophobicContact CG2-CG2 4.12Å; V147-P149 VanDerWaalsContact O-CD 3.24Å; V147-P149 WeakPolarHBondContact O-CD 3.34Å; V147-L152 HydrophobicContact CG1-CD2 4.05Å; V147-T273 HydrophobicContact CG2-CG2 4.45Å
148N98.8Very high98.4Very high9 Ų929.1 Ų29.15%0.04814%0.143CC..  trans-95.899.9168.8-179.7-10.3000109.5R150 A151 L152 P269 Q271 V272N148-R150 VanDerWaalsContact C-N 3.26Å; N148-R150 PolarHBondContact O-N 2.89Å; N148-R150 PolarHBondContact OD1-N 3.05Å; N148-A151 HydrophobicContact CB-CB 4.09Å; N148-A151 PolarHBondContact O-N 3.32Å; N148-A151 PolarHBondContact OD1-N 2.86Å; N148-L152 WeakPolarHBondContact O-CB 3.45Å; N148-L152 PolarHBondContact O-N 2.84Å; N148-P269 PolarHBondContact ND2-O 2.89Å; N148-Q271 WeakPolarHBondContact CB-O 3.5Å; N148-Q271 PolarHBondContact ND2-O 3.36Å; N148-V272 PolarHBondContact N-O 3.1Å
149P98Very high98.3Very high5 Ų530.8 Ų30.83%0.03215%0.151CC..Hα-helixtrans-62.4-31-174.921.7-33000113.8L53 T82 V147 L153 Y309L53-P149 HydrophobicContact CD1-CB 4.12Å; L53-P149 HydrophobicContact CD2-CB 3.86Å; T82-P149 HydrophobicContact CG2-CB 3.44Å; T82-P149 VanDerWaalsContact CG2-CB 3.44Å; T82-P149 HydrophobicContact CG2-CG 3.63Å; V147-P149 VanDerWaalsContact O-CD 3.24Å; V147-P149 WeakPolarHBondContact O-CD 3.34Å; P149-L153 WeakPolarHBondContact O-CB 3.06Å; P149-L153 PolarHBondContact O-N 2.92Å; P149-Y309 WeakPolarHBondContact CG-OH 3.34Å
150R98.1Very high98.1Very high183 Ų18334.7 Ų34.769%0.69118%0.176SC*.Hα-helixtrans-67-50.6178.5-179-178.5176.3-179.10.2110.7N148 L152 L153 Q154N148-R150 VanDerWaalsContact C-N 3.26Å; N148-R150 PolarHBondContact O-N 2.89Å; N148-R150 PolarHBondContact OD1-N 3.05Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L153 PolarHBondContact O-N 2.97Å; R150-Q154 VanDerWaalsContact O-CG 3.31Å; R150-Q154 WeakPolarHBondContact O-CG 3.37Å; R150-Q154 PolarHBondContact O-N 2.84Å
151A98.7Very high97.5Very high4 Ų439.2 Ų39.23%0.03320%0.199CC..Hα-helixtrans-63.7-40.1177.100000111.2N148 Q154 L155 Q271 V272N148-A151 HydrophobicContact CB-CB 4.09Å; N148-A151 PolarHBondContact O-N 3.32Å; N148-A151 PolarHBondContact OD1-N 2.86Å; A151-Q154 PolarHBondContact O-N 3.47Å; A151-L155 WeakPolarHBondContact O-CB 3.25Å; A151-L155 PolarHBondContact O-N 2.87Å; A151-Q271 WeakPolarHBondContact CB-O 3.43Å; A151-V272 HydrophobicContact CB-CG2 4.09Å
152L98.8Very high97Very high2 Ų245.7 Ų45.71%0.0123%0.234CC..Hα-helixtrans-57-53.9175.117959.7000111.2V56 I58 V147 N148 R150 Q154 L155 L156 V272V56-L152 HydrophobicContact CG1-CD2 4.17Å; I58-L152 HydrophobicContact CD1-CD2 4.24Å; V147-L152 HydrophobicContact CG1-CD2 4.05Å; N148-L152 WeakPolarHBondContact O-CB 3.45Å; N148-L152 PolarHBondContact O-N 2.84Å; R150-L152 VanDerWaalsContact C-N 3.32Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Q154 PolarHBondContact O-N 2.74Å; L152-L155 WeakPolarHBondContact O-CB 3.49Å; L152-L155 PolarHBondContact O-N 3.12Å; L152-L156 HydrophobicContact CD1-CD1 3.96Å; L152-L156 HydrophobicContact CD1-CD2 4.37Å; L152-L156 HydrophobicContact CD1-CG 3.99Å; L152-L156 HydrophobicContact CG-CD1 4.08Å; L152-L156 HydrophobicContact CG-CG 4.4Å; L152-L156 WeakPolarHBondContact O-CG 3.22Å; L152-L156 PolarHBondContact O-N 2.92Å; L152-V272 HydrophobicContact CB-CG1 3.98Å; L152-V272 HydrophobicContact CD1-CG1 3.67Å; L152-V272 HydrophobicContact CG-CG1 4.41Å
153L98.2Very high96.8Very high19 Ų1945.2 Ų45.210%0.09923%0.234CC..Hα-helixtrans-61.9-40.9-178.4-172.966.7000112L51 L53 P149 R150 L156 R157L51-L153 HydrophobicContact CD2-CD1 4.09Å; L51-L153 HydrophobicContact CG-CD1 3.97Å; L53-L153 HydrophobicContact CD2-CB 4.16Å; L53-L153 HydrophobicContact CG-CD2 4.17Å; P149-L153 WeakPolarHBondContact O-CB 3.06Å; P149-L153 PolarHBondContact O-N 2.92Å; R150-L153 PolarHBondContact O-N 2.97Å; L153-L156 PolarHBondContact O-N 2.88Å; L153-R157 WeakPolarHBondContact O-CB 3.35Å; L153-R157 VanDerWaalsContact O-CG 3.31Å; L153-R157 WeakPolarHBondContact O-CG 3.42Å; L153-R157 PolarHBondContact O-N 2.95Å
154Q98.2Very high96.8Very high112 Ų11247.6 Ų47.652%0.52325%0.247SC..Hα-helixtrans-60.3-44.4175.7-75.6177.4-17.900112R150 A151 L152R150-Q154 VanDerWaalsContact O-CG 3.31Å; R150-Q154 WeakPolarHBondContact O-CG 3.37Å; R150-Q154 PolarHBondContact O-N 2.84Å; A151-Q154 PolarHBondContact O-N 3.47Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Q154 PolarHBondContact O-N 2.74Å
155L98.6Very high96.8Very high26 Ų2647.1 Ų47.114%0.13624%0.244CC..Hα-helixtrans-61.3-50.5175.1173.466.9000111.2A151 L152 R157 A158 F159 V167 L252 F253 V272A151-L155 WeakPolarHBondContact O-CB 3.25Å; A151-L155 PolarHBondContact O-N 2.87Å; L152-L155 WeakPolarHBondContact O-CB 3.49Å; L152-L155 PolarHBondContact O-N 3.12Å; L155-R157 VanDerWaalsContact C-N 3.29Å; L155-R157 PolarHBondContact O-N 3.28Å; L155-A158 WeakPolarHBondContact O-CB 3.07Å; L155-A158 PolarHBondContact O-N 3.32Å; L155-A158 VanDerWaalsContact O-N 3.09Å; L155-F159 HydrophobicContact CD1-CE2 4.14Å; L155-F159 HydrophobicContact CD1-CZ 4.17Å; L155-F159 HydrophobicContact CG-CE2 4.12Å; L155-V167 HydrophobicContact CD2-CG2 4.29Å; L155-L252 HydrophobicContact CD1-CD1 4.41Å; L155-F253 HydrophobicContact CD2-CE2 3.4Å; L155-F253 VanDerWaalsContact CD2-CE2 3.4Å; L155-F253 HydrophobicContact CD2-CZ 3.71Å; L155-V272 HydrophobicContact CB-CG2 4.23Å; L155-V272 HydrophobicContact CD2-CG2 3.95Å
156L98.3Very high96.8Very high2 Ų247.1 Ų47.11%0.0124%0.244CC..Hα-helixtrans-64.8-33.1-175.3-63.4-176.4000112.6L51 V56 W137 L152 L153 A158 F159 V167 C202L51-L156 HydrophobicContact CD2-CB 3.51Å; V56-L156 HydrophobicContact CG1-CD1 4.26Å; V56-L156 HydrophobicContact CG2-CD1 3.91Å; W137-L156 HydrophobicContact CB-CD1 4.05Å; W137-L156 HydrophobicContact CD2-CB 4.43Å; W137-L156 HydrophobicContact CD2-CD1 4.01Å; W137-L156 HydrophobicContact CD2-CD2 3.97Å; W137-L156 HydrophobicContact CD2-CG 4.35Å; W137-L156 HydrophobicContact CE3-CD1 4.36Å; W137-L156 HydrophobicContact CE3-CD2 3.64Å; W137-L156 HydrophobicContact CE3-CG 4.49Å; W137-L156 HydrophobicContact CG-CD1 3.88Å; W137-L156 HydrophobicContact CH2-CD2 4.07Å; W137-L156 HydrophobicContact CZ2-CB 4.36Å; W137-L156 HydrophobicContact CZ2-CD2 4.38Å; W137-L156 HydrophobicContact CZ3-CD2 3.7Å; L152-L156 HydrophobicContact CD1-CD1 3.96Å; L152-L156 HydrophobicContact CD1-CD2 4.37Å; L152-L156 HydrophobicContact CD1-CG 3.99Å; L152-L156 HydrophobicContact CG-CD1 4.08Å; L152-L156 HydrophobicContact CG-CG 4.4Å; L152-L156 WeakPolarHBondContact O-CG 3.22Å; L152-L156 PolarHBondContact O-N 2.92Å; L153-L156 PolarHBondContact O-N 2.88Å; L156-A158 PolarHBondContact O-N 3.42Å; L156-F159 PolarHBondContact O-N 3.47Å; L156-V167 HydrophobicContact CD2-CG1 4.48Å; L156-C202 HydrophobicContact CD2-CB 4.13Å
157R96.8Very high96.8Very high94 Ų9447.1 Ų47.136%0.35525%0.245SC..Hα-helixtrans-64.8-24.5174.5-80.3177.5-178.7177.32113.8E50 L51 Q52 L153 L155 F159E50-R157 IonicContact OE1-CZ 3.03Å; E50-R157 IonicContact OE1-NE 3.61Å; E50-R157 PolarHBondContact OE1-NE 3.25Å; E50-R157 IonicContact OE1-NH1 3.92Å; E50-R157 PolarHBondContact OE1-NH1 3.13Å; E50-R157 IonicContact OE1-NH2 3.53Å; L51-R157 HydrophobicContact CB-CG 3.94Å; L51-R157 HydrophobicContact CD2-CG 4.17Å; L51-R157 PolarHBondContact O-NE 3.34Å; L51-R157 PolarHBondContact O-NH2 2.99Å; Q52-R157 VanDerWaalsContact OE1-NH2 3.09Å; L153-R157 WeakPolarHBondContact O-CB 3.35Å; L153-R157 VanDerWaalsContact O-CG 3.31Å; L153-R157 WeakPolarHBondContact O-CG 3.42Å; L153-R157 PolarHBondContact O-N 2.95Å; L155-R157 VanDerWaalsContact C-N 3.29Å; L155-R157 PolarHBondContact O-N 3.28Å; R157-F159 VanDerWaalsContact C-N 3.25Å; R157-F159 PolarHBondContact O-N 3.44Å
158A96.5Very high96.8Very high79 Ų7947 Ų4765%0.65324%0.244SC*.THydrogen-bonded Turntrans-74.8-15.9-177.500000113.1L155 L156L155-A158 WeakPolarHBondContact O-CB 3.07Å; L155-A158 PolarHBondContact O-N 3.32Å; L155-A158 VanDerWaalsContact O-N 3.09Å; L156-A158 PolarHBondContact O-N 3.42Å
159F96.8Very high96.8Very high35 Ų3550 Ų5015%0.15426%0.255CS..SBendtrans-82141.9179.7-64.7-64.3000112.5W137 L155 L156 R157 V165 V167 Q248W137-F159 HydrophobicContact CH2-CB 4.27Å; W137-F159 AromaticContact CH2-CD2 3.75Å; W137-F159 HydrophobicContact CH2-CD2 3.75Å; W137-F159 HydrophobicContact CH2-CG 4.29Å; W137-F159 HydrophobicContact CZ2-CB 4.42Å; W137-F159 HydrophobicContact CZ2-CD2 4.35Å; L155-F159 HydrophobicContact CD1-CE2 4.14Å; L155-F159 HydrophobicContact CD1-CZ 4.17Å; L155-F159 HydrophobicContact CG-CE2 4.12Å; L156-F159 PolarHBondContact O-N 3.47Å; R157-F159 VanDerWaalsContact C-N 3.25Å; R157-F159 PolarHBondContact O-N 3.44Å; F159-V165 HydrophobicContact CB-CG2 3.94Å; F159-V165 HydrophobicContact CD1-CG1 4.08Å; F159-V165 HydrophobicContact CD1-CG2 4.27Å; F159-V165 HydrophobicContact CD2-CG1 3.94Å; F159-V165 HydrophobicContact CE1-CG1 4.21Å; F159-V165 HydrophobicContact CE2-CG1 4.03Å; F159-V165 HydrophobicContact CG-CG1 3.96Å; F159-V165 HydrophobicContact CG-CG2 4.03Å; F159-V165 HydrophobicContact CZ-CG1 4.17Å; F159-V167 HydrophobicContact CE2-CB 4.21Å; F159-V167 HydrophobicContact CE2-CG1 4.04Å; F159-V167 HydrophobicContact CE2-CG2 4.24Å; F159-V167 HydrophobicContact CZ-CB 3.98Å; F159-V167 HydrophobicContact CZ-CG1 4.33Å; F159-V167 HydrophobicContact CZ-CG2 3.79Å; F159-Q248 VanDerWaalsContact CD1-OE1 3.32Å
160P93.3Very high96.8Very high87 Ų8751.1 Ų51.157%0.56526%0.262SS*.  trans-58.3139172.3-23.533.4000112D162 S163P160-D162 PolarHBondContact O-N 3.23Å; P160-S163 PolarHBondContact O-N 2.97Å; P160-S163 PolarHBondContact O-OG 2.82Å
161L87.6Confident96.6Very high95 Ų9544.8 Ų44.850%0.49725%0.245SC..THydrogen-bonded Turntrans-63-30-177.7-65.2178.6000113.6P48P48-L161 HydrophobicContact CB-CD1 3.64Å; P48-L161 HydrophobicContact CG-CD1 3.57Å
162D88.9Confident96.4Very high140 Ų14048.4 Ų48.475%0.74926%0.263SS*.THydrogen-bonded Turntrans-94.23.9-174.9-67.8-38.9000114.3P160 K206P160-D162 PolarHBondContact O-N 3.23Å; D162-K206 PolarHBondContact O-NZ 3.05Å
163S94.3Very high96.1Very high33 Ų3355.3 Ų55.323%0.23130%0.3CS..SBendtrans-91.1154.4178.464.50000112.4P160 V165 N204P160-S163 PolarHBondContact O-N 2.97Å; P160-S163 PolarHBondContact O-OG 2.82Å; S163-V165 VanDerWaalsContact OG-CG2 3.27Å; S163-V165 WeakPolarHBondContact OG-CG2 3.41Å; S163-N204 PolarHBondContact O-ND2 3.4Å
164D98.3Very high96Very high59 Ų5962.2 Ų62.232%0.31633%0.325SS..  trans-82.7127.2162.4-62.5-19.8000107.4K206 L207 K210D164-K206 WeakPolarHBondContact OD1-CD 3.44Å; D164-K206 WeakPolarHBondContact OD1-CE 3.31Å; D164-K206 WeakPolarHBondContact OD1-CG 3.44Å; D164-L207 HydrophobicContact CB-CB 4.08Å; D164-L207 HydrophobicContact CB-CD1 4.18Å; D164-K210 IonicContact OD1-NZ 2.61Å; D164-K210 PolarHBondContact OD1-NZ 2.72Å; D164-K210 IonicContact OD2-NZ 3.93Å; D164-K210 PolarHBondContact OD2-NZ 2.86Å
165V98.7Very high96Very high0 Ų058.1 Ų58.10%031%0.308CS..  trans-123.9128.7-175-176.30000110.5W137 F159 S163 V167 I203 N204 L207W137-V165 HydrophobicContact CH2-CB 3.65Å; W137-V165 HydrophobicContact CH2-CG1 3.71Å; W137-V165 HydrophobicContact CH2-CG2 3.95Å; W137-V165 HydrophobicContact CZ3-CB 3.87Å; W137-V165 HydrophobicContact CZ3-CG1 3.83Å; F159-V165 HydrophobicContact CB-CG2 3.94Å; F159-V165 HydrophobicContact CD1-CG1 4.08Å; F159-V165 HydrophobicContact CD1-CG2 4.27Å; F159-V165 HydrophobicContact CD2-CG1 3.94Å; F159-V165 HydrophobicContact CE1-CG1 4.21Å; F159-V165 HydrophobicContact CE2-CG1 4.03Å; F159-V165 HydrophobicContact CG-CG1 3.96Å; F159-V165 HydrophobicContact CG-CG2 4.03Å; F159-V165 HydrophobicContact CZ-CG1 4.17Å; S163-V165 VanDerWaalsContact OG-CG2 3.27Å; S163-V165 WeakPolarHBondContact OG-CG2 3.41Å; V165-V167 HydrophobicContact CG1-CB 4.24Å; V165-V167 HydrophobicContact CG1-CG1 4.3Å; V165-I203 WeakPolarHBondContact O-CA 3.43Å; V165-N204 PolarHBondContact N-OD1 2.99Å; V165-N204 PolarHBondContact O-N 3.34Å; V165-L207 WeakPolarHBondContact O-CD2 3.39Å
166Y98.9Very high95.9Very high1 Ų158.6 Ų58.60%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-128.2114.4163.7175.7-148.1000107.6A195 F201 C202 I203 I239 L247 Q248Y166-A195 HydrophobicContact CE2-CB 3.86Å; Y166-A195 WeakPolarHBondContact OH-CB 3.46Å; Y166-A195 PolarHBondContact OH-N 3.08Å; Y166-F201 HydrophobicContact CD2-CD2 4.43Å; Y166-F201 HydrophobicContact CE2-CB 4.02Å; Y166-F201 AromaticContact CE2-CD2 3.78Å; Y166-F201 HydrophobicContact CE2-CD2 3.78Å; Y166-F201 AromaticContact CE2-CG 3.97Å; Y166-F201 HydrophobicContact CE2-CG 3.97Å; Y166-C202 WeakPolarHBondContact CA-O 3.48Å; Y166-I203 HydrophobicContact CD2-CG2 3.55Å; Y166-I203 HydrophobicContact CE2-CG2 4.31Å; Y166-I203 HydrophobicContact CG-CG2 4.13Å; Y166-I239 HydrophobicContact CD1-CB 4.27Å; Y166-I239 HydrophobicContact CD1-CD1 3.53Å; Y166-I239 HydrophobicContact CD1-CG1 4.49Å; Y166-I239 HydrophobicContact CD1-CG2 3.95Å; Y166-I239 HydrophobicContact CD2-CD1 3.95Å; Y166-I239 HydrophobicContact CE1-CD1 3.88Å; Y166-I239 HydrophobicContact CE2-CD1 4.25Å; Y166-I239 HydrophobicContact CG-CD1 3.55Å; Y166-I239 HydrophobicContact CG-CG2 4.44Å; Y166-L247 HydrophobicContact CD1-CB 4.01Å; Y166-L247 HydrophobicContact CD1-CD1 3.88Å; Y166-L247 HydrophobicContact CD2-CD1 4.34Å; Y166-L247 HydrophobicContact CE1-CB 4.13Å; Y166-L247 HydrophobicContact CE1-CD1 3.86Å; Y166-L247 HydrophobicContact CE2-CD1 4.33Å; Y166-L247 HydrophobicContact CG-CD1 4.14Å; Y166-Q248 WeakPolarHBondContact O-CB 3.29Å; Y166-Q248 PolarHBondContact O-N 2.88Å
167V98.9Very high95.8Very high2 Ų263.2 Ų63.21%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-128.3138.9-173.962.20000110.6L155 L156 F159 V165 F201 C202 Q248 F253L155-V167 HydrophobicContact CD2-CG2 4.29Å; L156-V167 HydrophobicContact CD2-CG1 4.48Å; F159-V167 HydrophobicContact CE2-CB 4.21Å; F159-V167 HydrophobicContact CE2-CG1 4.04Å; F159-V167 HydrophobicContact CE2-CG2 4.24Å; F159-V167 HydrophobicContact CZ-CB 3.98Å; F159-V167 HydrophobicContact CZ-CG1 4.33Å; F159-V167 HydrophobicContact CZ-CG2 3.79Å; V165-V167 HydrophobicContact CG1-CB 4.24Å; V165-V167 HydrophobicContact CG1-CG1 4.3Å; V167-F201 CarbonylContact O-C 3.58Å; V167-F201 WeakPolarHBondContact O-CA 3.22Å; V167-F201 WeakPolarHBondContact O-CB 3.46Å; V167-C202 HydrophobicContact CG1-CB 3.9Å; V167-C202 PolarHBondContact N-O 3.5Å; V167-C202 PolarHBondContact O-N 2.86Å; V167-Q248 WeakPolarHBondContact CA-O 3.26Å; V167-Q248 HydrophobicContact CB-CB 4.46Å; V167-Q248 WeakPolarHBondContact CG2-O 3.34Å; V167-F253 HydrophobicContact CG2-CE2 4.08Å
168G98.8Very high95.8Very high0 Ų059.1 Ų59.10%032%0.318CS..EExtended strand (participates in β ladder)trans172.3-170.8177.400000111.8Q248 P249 S250G168-Q248 PolarHBondContact N-O 2.88Å; G168-P249 WeakPolarHBondContact O-CA 3.37Å; G168-S250 PolarHBondContact O-N 3.35Å
169R98.4Very high95.6Very high73 Ų7358.8 Ų58.828%0.27531%0.311SS..  trans-85.9119.5175.7-175.663.9176.1-131.11.3110.3S171 A195 T196 A199 F253 E258R169-S171 PolarHBondContact O-N 3.35Å; R169-A195 CarbonylContact O-C 3.58Å; R169-A195 VanDerWaalsContact O-CA 3.22Å; R169-A195 WeakPolarHBondContact O-CA 3.47Å; R169-T196 PolarHBondContact O-N 3.37Å; R169-T196 PolarHBondContact O-OG1 3.39Å; R169-A199 HydrophobicContact CB-CB 3.83Å; R169-F253 HydrophobicContact CB-CB 4.06Å; R169-E258 IonicContact CZ-OE1 3.76Å; R169-E258 IonicContact NE-OE1 3.74Å; R169-E258 PolarHBondContact NE-OE1 2.62Å; R169-E258 VanDerWaalsContact NE-OE1 3.13Å; R169-E258 IonicContact NH1-OE1 3.42Å; R169-E258 PolarHBondContact NH1-OE1 2.81Å; R169-E258 IonicContact NH2-OE1 2.89Å; R169-E258 PolarHBondContact NH2-OE1 3.09Å
170P97.8Very high95.5Very high28 Ų2857.6 Ų57.618%0.18231%0.306CS..BIsolated β-bridgetrans-59.6132.8171.4-19.731.2000110.8W193 L247 P249P170-W193 HydrophobicContact CB-CE3 4.04Å; P170-W193 HydrophobicContact CB-CZ3 4.26Å; P170-L247 HydrophobicContact CB-CD2 3.91Å; P170-L247 HydrophobicContact CG-CD2 3.78Å; P170-P249 HydrophobicContact CG-CB 3.68Å; P170-P249 HydrophobicContact CG-CG 3.9Å
171S94Very high95.5Very high49 Ų4956.5 Ų56.534%0.34330%0.299SS..SBendtrans-72-32.1-175.2172.70000114.4R169 F194 T196R169-S171 PolarHBondContact O-N 3.35Å; S171-F194 PolarHBondContact N-O 3.34Å; S171-F194 VanDerWaalsContact OG-CZ 3.3Å; S171-F194 WeakPolarHBondContact OG-CZ 3.45Å; S171-T196 WeakPolarHBondContact CA-OG1 3.26Å; S171-T196 VanDerWaalsContact CB-OG1 3.27Å; S171-T196 WeakPolarHBondContact CB-OG1 3.43Å
172L93.9Very high95.5Very high80 Ų8055.7 Ų55.742%0.41929%0.292SS..SBendtrans-119.2170-177.4-63.2177.3000110R174 I176 W193L172-R174 WeakPolarHBondContact CB-O 3.45Å; L172-I176 HydrophobicContact CD1-CB 4.12Å; L172-I176 HydrophobicContact CD1-CG1 4.43Å; L172-W193 WeakPolarHBondContact O-CZ3 3.27Å
173N94.3Very high95.6Very high147 Ų14753.5 Ų53.579%0.78629%0.286SS*.SBendtrans-85.43.9168.767.2-6.4000113.1
174R96.1Very high95.4Very high165 Ų16560.1 Ų60.162%0.62331%0.313SS*.SBendtrans-150.4157.7179.363.6-175.1179-145.3-0.7109.4L172 W193L172-R174 WeakPolarHBondContact CB-O 3.45Å; R174-W193 VanDerWaalsContact C-CZ3 3.41Å
175P96.9Very high94.9Very high26 Ų2665.3 Ų65.317%0.16934%0.341CS..  trans-57.9145.6171.7-19.129.5000111.5Q191 F192 W193P175-Q191 HydrophobicContact CB-CG 3.4Å; P175-Q191 HydrophobicContact CG-CG 4.08Å; P175-F192 CarbonylContact C-O 3.57Å; P175-F192 VanDerWaalsContact CA-O 3.27Å; P175-F192 WeakPolarHBondContact CA-O 3.49Å; P175-F192 WeakPolarHBondContact CB-O 3.4Å; P175-W193 HydrophobicContact CB-CD2 4.46Å; P175-W193 VanDerWaalsContact CD-CZ2 3.48Å; P175-W193 HydrophobicContact CG-CD2 4.15Å; P175-W193 HydrophobicContact CG-CG 4.48Å; P175-W193 HydrophobicContact CG-CZ2 3.89Å
176I97.5Very high94.5Very high35 Ų3573.6 Ų73.618%0.17937%0.372CS..EExtended strand (participates in β ladder)trans-73.3153.5170.1-165169.2000109.7L172 Q191 F192 F194 L229L172-I176 HydrophobicContact CD1-CB 4.12Å; L172-I176 HydrophobicContact CD1-CG1 4.43Å; I176-Q191 VanDerWaalsContact O-CA 3.3Å; I176-Q191 WeakPolarHBondContact O-CA 3.12Å; I176-F192 HydrophobicContact CG2-CD1 4.38Å; I176-F192 HydrophobicContact CG2-CD2 3.88Å; I176-F192 HydrophobicContact CG2-CE1 4.05Å; I176-F192 HydrophobicContact CG2-CE2 3.51Å; I176-F192 HydrophobicContact CG2-CG 4.3Å; I176-F192 HydrophobicContact CG2-CZ 3.6Å; I176-F192 PolarHBondContact N-O 2.87Å; I176-F192 PolarHBondContact O-N 3Å; I176-F192 VanDerWaalsContact O-N 3.17Å; I176-F194 HydrophobicContact CB-CD1 4.44Å; I176-F194 HydrophobicContact CB-CE1 4.09Å; I176-F194 HydrophobicContact CD1-CE1 4.22Å; I176-F194 HydrophobicContact CG2-CD1 3.96Å; I176-F194 HydrophobicContact CG2-CE1 4.05Å; I176-L229 HydrophobicContact CD1-CD2 4.37Å
177H96.3Very high94.3Very high99 Ų9978 Ų7846%0.45840%0.399SS..EExtended strand (participates in β ladder)trans-107.6135.2171.2-6476.4000109L189 V190 Q191H177-L189 HydrophobicContact CB-CD1 4.36Å; H177-V190 WeakPolarHBondContact CA-O 3.37Å; H177-Q191 PolarHBondContact CE1-NE2 3.35Å; H177-Q191 PolarHBondContact NE2-NE2 3.14Å
178A94.9Very high94Very high8 Ų882.8 Ų82.87%0.06642%0.417CS..EExtended strand (participates in β ladder)trans-137.1156.7175.400000111V190 F192 L229A178-V190 HydrophobicContact CB-CG2 3.8Å; A178-V190 PolarHBondContact N-O 3.37Å; A178-V190 VanDerWaalsContact O-CG2 3.29Å; A178-V190 WeakPolarHBondContact O-CG2 3.27Å; A178-V190 PolarHBondContact O-N 3.1Å; A178-F192 HydrophobicContact CB-CE1 3.9Å; A178-F192 HydrophobicContact CB-CZ 4.33Å; A178-L229 HydrophobicContact CB-CD1 3.62Å
179S93.6Very high93.9Very high72 Ų7288.5 Ų88.550%0.50345%0.447SS..EExtended strand (participates in β ladder)trans-102119.8175.5-73.20000109
180E94.1Very high93.8Very high11 Ų1185.5 Ų85.55%0.05144%0.437CS..EExtended strand (participates in β ladder)trans-101.4115.5173.8-178.7-167.3-150.600109.6T187 R188 V190 L226 Y237 K242E180-T187 WeakPolarHBondContact O-CA 3.31Å; E180-R188 PolarHBondContact N-O 3.06Å; E180-R188 PolarHBondContact O-N 2.9Å; E180-R188 IonicContact OE1-NH2 3.91Å; E180-R188 PolarHBondContact OE1-NH2 3.35Å; E180-R188 IonicContact OE2-CZ 3.93Å; E180-R188 IonicContact OE2-NE 3.48Å; E180-R188 PolarHBondContact OE2-NE 3.27Å; E180-R188 IonicContact OE2-NH2 3.64Å; E180-R188 PolarHBondContact OE2-NH2 3.21Å; E180-V190 HydrophobicContact CB-CG1 4.3Å; E180-L226 HydrophobicContact CG-CD2 4.16Å; E180-L226 HydrophobicContact CG-CG 4.44Å; E180-Y237 PolarHBondContact OE1-OH 3.22Å; E180-K242 IonicContact OE1-NZ 3.67Å; E180-K242 PolarHBondContact OE1-NZ 2.91Å
181P92.6Very high93.8Very high63 Ų6389.3 Ų89.341%0.40945%0.452SS..EExtended strand (participates in β ladder)trans-59.2137.3170.7-22.433.2000111.7L226P181-L226 HydrophobicContact CB-CD1 4.08Å; P181-L226 WeakPolarHBondContact CD-O 3.3Å; P181-L226 HydrophobicContact CG-CD1 4.02Å
182Q89.5Confident94Very high78 Ų7887 Ų8736%0.36444%0.436SS..EExtended strand (participates in β ladder)trans-121163.5175-69.8-161.3-300111.1R186 R188Q182-R186 WeakPolarHBondContact CA-O 3.37Å; Q182-R186 HydrophobicContact CB-CB 4.06Å; Q182-R186 WeakPolarHBondContact CB-O 3.34Å; Q182-R186 PolarHBondContact N-O 3.12Å; Q182-R188 HydrophobicContact CG-CB 4.19Å
183P89.4Confident94.2Very high95 Ų9587.3 Ų87.362%0.61743%0.431SS*.G310 helixtrans-52151.9170.6-27.136.2000112.4
184H91Very high94.4Very high171 Ų17180.9 Ų80.979%0.79240%0.397SS*.G310 helixtrans65.534.8179.4-43.279.4000114.3R186H184-R186 PolarHBondContact O-N 2.9Å; H184-R186 VanDerWaalsContact O-N 3.11Å
185N86.8Confident94.5Very high168 Ų16873 Ų7390%0.89837%0.367SS*.G310 helixtrans55.328.5178.7-62.7-20.8000113.9
186R92.1Very high94.6Very high174 Ų17472.4 Ų72.466%0.65736%0.362SS*.EExtended strand (participates in β ladder)trans-89.1155.5172.2-66.7-177.3-179.6-178.50.3109.2Q182 H184Q182-R186 WeakPolarHBondContact CA-O 3.37Å; Q182-R186 HydrophobicContact CB-CB 4.06Å; Q182-R186 WeakPolarHBondContact CB-O 3.34Å; Q182-R186 PolarHBondContact N-O 3.12Å; H184-R186 PolarHBondContact O-N 2.9Å; H184-R186 VanDerWaalsContact O-N 3.11Å
187T92.6Very high94.6Very high93 Ų9370.9 Ų70.957%0.57136%0.356SS*.EExtended strand (participates in β ladder)trans-127.6133.2174.5-57.20000108.3E180E180-T187 WeakPolarHBondContact O-CA 3.31Å
188R94.4Very high94.6Very high104 Ų10466.7 Ų66.739%0.39234%0.339SS..EExtended strand (participates in β ladder)trans-102124.8169.9176.1171.370.41649.1109.2E180 Q182 V190E180-R188 PolarHBondContact N-O 3.06Å; E180-R188 PolarHBondContact O-N 2.9Å; E180-R188 IonicContact OE1-NH2 3.91Å; E180-R188 PolarHBondContact OE1-NH2 3.35Å; E180-R188 IonicContact OE2-CZ 3.93Å; E180-R188 IonicContact OE2-NE 3.48Å; E180-R188 PolarHBondContact OE2-NE 3.27Å; E180-R188 IonicContact OE2-NH2 3.64Å; E180-R188 PolarHBondContact OE2-NH2 3.21Å; Q182-R188 HydrophobicContact CG-CB 4.19Å; R188-V190 HydrophobicContact CG-CG1 4.1Å; R188-V190 PolarHBondContact O-N 3.18Å
189L95.2Very high94.8Very high120 Ų12066.3 Ų66.363%0.62834%0.336SS*.EExtended strand (participates in β ladder)trans-72.6126.5167-17169.4000108.1H177H177-L189 HydrophobicContact CB-CD1 4.36Å
190V96.4Very high95Very high10 Ų1062.9 Ų62.96%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-117.4149.6174.6-65.70000109.4H177 A178 E180 R188 F192 Y237H177-V190 WeakPolarHBondContact CA-O 3.37Å; A178-V190 HydrophobicContact CB-CG2 3.8Å; A178-V190 PolarHBondContact N-O 3.37Å; A178-V190 VanDerWaalsContact O-CG2 3.29Å; A178-V190 WeakPolarHBondContact O-CG2 3.27Å; A178-V190 PolarHBondContact O-N 3.1Å; E180-V190 HydrophobicContact CB-CG1 4.3Å; R188-V190 HydrophobicContact CG-CG1 4.1Å; R188-V190 PolarHBondContact O-N 3.18Å; V190-F192 HydrophobicContact CB-CD1 4.49Å; V190-F192 HydrophobicContact CG2-CD1 4.17Å; V190-F192 HydrophobicContact CG2-CE1 3.9Å; V190-Y237 HydrophobicContact CG1-CE2 4.42Å; V190-Y237 HydrophobicContact CG2-CD2 4.23Å; V190-Y237 HydrophobicContact CG2-CE2 3.98Å
191Q97.6Very high95.3Very high108 Ų10862.4 Ų62.451%0.50531%0.31SS..EExtended strand (participates in β ladder)trans-136.9127.8-179.3-174.3179.513.700108.9P175 I176 H177P175-Q191 HydrophobicContact CB-CG 3.4Å; P175-Q191 HydrophobicContact CG-CG 4.08Å; I176-Q191 VanDerWaalsContact O-CA 3.3Å; I176-Q191 WeakPolarHBondContact O-CA 3.12Å; H177-Q191 PolarHBondContact CE1-NE2 3.35Å; H177-Q191 PolarHBondContact NE2-NE2 3.14Å
192F98.4Very high95.6Very high1 Ų159.5 Ų59.50%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-158.4158-173.755.5-85.6000112.9P175 I176 A178 V190 L229 C233 Y237 E240 C241P175-F192 CarbonylContact C-O 3.57Å; P175-F192 VanDerWaalsContact CA-O 3.27Å; P175-F192 WeakPolarHBondContact CA-O 3.49Å; P175-F192 WeakPolarHBondContact CB-O 3.4Å; I176-F192 HydrophobicContact CG2-CD1 4.38Å; I176-F192 HydrophobicContact CG2-CD2 3.88Å; I176-F192 HydrophobicContact CG2-CE1 4.05Å; I176-F192 HydrophobicContact CG2-CE2 3.51Å; I176-F192 HydrophobicContact CG2-CG 4.3Å; I176-F192 HydrophobicContact CG2-CZ 3.6Å; I176-F192 PolarHBondContact N-O 2.87Å; I176-F192 PolarHBondContact O-N 3Å; I176-F192 VanDerWaalsContact O-N 3.17Å; A178-F192 HydrophobicContact CB-CE1 3.9Å; A178-F192 HydrophobicContact CB-CZ 4.33Å; V190-F192 HydrophobicContact CB-CD1 4.49Å; V190-F192 HydrophobicContact CG2-CD1 4.17Å; V190-F192 HydrophobicContact CG2-CE1 3.9Å; F192-L229 HydrophobicContact CZ-CD1 3.75Å; F192-C233 WeakPolarHBondContact CE2-O 3.09Å; F192-Y237 HydrophobicContact CD1-CD2 4.13Å; F192-Y237 AromaticContact CE1-CD2 3.77Å; F192-Y237 HydrophobicContact CE1-CD2 3.77Å; F192-Y237 HydrophobicContact CE1-CG 4.4Å; F192-Y237 HydrophobicContact CZ-CD2 4.19Å; F192-Y237 HydrophobicContact CZ-CG 4.39Å; F192-E240 WeakPolarHBondContact CA-OE2 3.36Å; F192-E240 HydrophobicContact CB-CB 3.83Å; F192-E240 HydrophobicContact CB-CG 4.44Å; F192-C241 VanDerWaalsContact CD1-SG 3.51Å
193W98.6Very high96Very high86 Ų8655.8 Ų55.833%0.32627%0.273SS..  trans-89.6154.4166.9-6094.7000111.2P170 L172 R174 P175 E240 L247P170-W193 HydrophobicContact CB-CE3 4.04Å; P170-W193 HydrophobicContact CB-CZ3 4.26Å; L172-W193 WeakPolarHBondContact O-CZ3 3.27Å; R174-W193 VanDerWaalsContact C-CZ3 3.41Å; P175-W193 HydrophobicContact CB-CD2 4.46Å; P175-W193 VanDerWaalsContact CD-CZ2 3.48Å; P175-W193 HydrophobicContact CG-CD2 4.15Å; P175-W193 HydrophobicContact CG-CG 4.48Å; P175-W193 HydrophobicContact CG-CZ2 3.89Å; W193-E240 PolarHBondContact N-OE2 2.92Å; W193-L247 HydrophobicContact CB-CB 4.12Å; W193-L247 HydrophobicContact CB-CD2 4.16Å
194F98.6Very high96.5Very high12 Ų1251.8 Ų51.85%0.05325%0.247CC..  trans-145.4149.4171.870.2-79.3000109.6S171 I176 D232 C233S171-F194 PolarHBondContact N-O 3.34Å; S171-F194 VanDerWaalsContact OG-CZ 3.3Å; S171-F194 WeakPolarHBondContact OG-CZ 3.45Å; I176-F194 HydrophobicContact CB-CD1 4.44Å; I176-F194 HydrophobicContact CB-CE1 4.09Å; I176-F194 HydrophobicContact CD1-CE1 4.22Å; I176-F194 HydrophobicContact CG2-CD1 3.96Å; I176-F194 HydrophobicContact CG2-CE1 4.05Å; F194-D232 HydrophobicContact CD2-CB 4.3Å; F194-C233 WeakPolarHBondContact CE2-SG 3.3Å; F194-C233 VanDerWaalsContact CZ-SG 3.52Å
195A98.6Very high96.8Very high0 Ų046.8 Ų46.80%022%0.221CC..BIsolated β-bridgetrans-80.1134.8173.600000109.7Y166 R169 G197 F201 L247Y166-A195 HydrophobicContact CE2-CB 3.86Å; Y166-A195 WeakPolarHBondContact OH-CB 3.46Å; Y166-A195 PolarHBondContact OH-N 3.08Å; R169-A195 CarbonylContact O-C 3.58Å; R169-A195 VanDerWaalsContact O-CA 3.22Å; R169-A195 WeakPolarHBondContact O-CA 3.47Å; A195-G197 PolarHBondContact O-N 2.88Å; A195-F201 HydrophobicContact CB-CB 3.6Å; A195-F201 HydrophobicContact CB-CD1 4.41Å; A195-F201 HydrophobicContact CB-CG 4.24Å; A195-L247 HydrophobicContact CB-CD1 3.87Å; A195-L247 HydrophobicContact CB-CD2 4.4Å
196T97.9Very high97.3Very high12 Ų1243 Ų437%0.07420%0.197CC..  trans-59.5120.8175.8-49.40000110.5R169 S171 G198 A199R169-T196 PolarHBondContact O-N 3.37Å; R169-T196 PolarHBondContact O-OG1 3.39Å; S171-T196 WeakPolarHBondContact CA-OG1 3.26Å; S171-T196 VanDerWaalsContact CB-OG1 3.27Å; S171-T196 WeakPolarHBondContact CB-OG1 3.43Å; T196-G198 PolarHBondContact O-N 2.95Å; T196-A199 HydrophobicContact CG2-CB 4.44Å; T196-A199 PolarHBondContact O-N 3.25Å; T196-A199 VanDerWaalsContact O-N 3.08Å
197G97.3Very high97.7Very high4 Ų434.9 Ų34.94%0.04117%0.166CC..G310 helixtrans-53.4-51.7178.900000112.7A195 A199 G200 D232A195-G197 PolarHBondContact O-N 2.88Å; G197-A199 PolarHBondContact O-N 2.92Å; G197-A199 VanDerWaalsContact O-N 3.09Å; G197-G200 WeakPolarHBondContact O-CA 3.33Å; G197-G200 PolarHBondContact O-N 2.89Å; G197-D232 PolarHBondContact N-OD2 2.91Å
198G97.2Very high97.9Very high11 Ų1130.5 Ų30.511%0.11314%0.139CC..G310 helixtrans-72.73.7179.300000116.2D142 N145 T196 S255D142-G198 VanDerWaalsContact OD2-CA 3.26Å; D142-G198 WeakPolarHBondContact OD2-CA 3.36Å; D142-G198 PolarHBondContact OD2-N 3.25Å; N145-G198 PolarHBondContact ND2-O 3.46Å; T196-G198 PolarHBondContact O-N 2.95Å; G198-S255 WeakPolarHBondContact O-CA 3.21Å
199A98.6Very high98.1Very high0 Ų030 Ų300%014%0.144CC..G310 helixtrans-96-13.4162.800000111.6R169 T196 G197 F253 T273R169-A199 HydrophobicContact CB-CB 3.83Å; T196-A199 HydrophobicContact CG2-CB 4.44Å; T196-A199 PolarHBondContact O-N 3.25Å; T196-A199 VanDerWaalsContact O-N 3.08Å; G197-A199 PolarHBondContact O-N 2.92Å; G197-A199 VanDerWaalsContact O-N 3.09Å; A199-F253 HydrophobicContact CB-CB 4.25Å; A199-T273 WeakPolarHBondContact O-CB 3.48Å; A199-T273 PolarHBondContact O-OG1 3.21Å
200G98.8Very high98.3Very high0 Ų028.3 Ų28.30%013%0.132CC..  trans75.9154.7-165.500000113.5H140 G197 F253H140-G200 WeakPolarHBondContact O-CA 3.38Å; G197-G200 WeakPolarHBondContact O-CA 3.33Å; G197-G200 PolarHBondContact O-N 2.89Å; G200-F253 VanDerWaalsContact O-CD1 3.31Å; G200-F253 WeakPolarHBondContact O-CD1 3.48Å
201F98.9Very high98.4Very high1 Ų127.9 Ų27.90%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-152.5161.9175.864.3-100.7000110.4M123 F138 C139 H140 Y166 V167 A195 M235M123-F201 HydrophobicContact CE-CE1 4.32Å; M123-F201 HydrophobicContact CE-CZ 3.92Å; M123-F201 HydrophobicContact SD-CZ 4.33Å; F138-F201 HydrophobicContact CD1-CE2 4.34Å; F138-F201 AromaticContact CE1-CE2 3.93Å; F138-F201 HydrophobicContact CE1-CE2 3.93Å; F138-F201 HydrophobicContact CE1-CZ 4.37Å; C139-F201 CarbonylContact C-O 3.6Å; C139-F201 VanDerWaalsContact CA-O 3.25Å; C139-F201 WeakPolarHBondContact CA-O 3.38Å; H140-F201 HydrophobicContact CB-CD1 4.26Å; H140-F201 HydrophobicContact CB-CD2 4.36Å; H140-F201 HydrophobicContact CB-CE1 3.78Å; H140-F201 HydrophobicContact CB-CE2 3.87Å; H140-F201 HydrophobicContact CB-CZ 3.55Å; H140-F201 AromaticContact CD2-CD1 3.96Å; H140-F201 AromaticContact CD2-CE1 3.41Å; H140-F201 VanDerWaalsContact CD2-CE1 3.41Å; H140-F201 WeakPolarHBondContact CD2-CE1 3.44Å; H140-F201 AromaticContact CG-CE1 3.81Å; H140-F201 AromaticContact CG-CZ 3.93Å; H140-F201 PolarHBondContact N-O 3.14Å; H140-F201 PolarHBondContact O-N 3.49Å; H140-F201 VanDerWaalsContact O-N 3.12Å; Y166-F201 HydrophobicContact CD2-CD2 4.43Å; Y166-F201 HydrophobicContact CE2-CB 4.02Å; Y166-F201 AromaticContact CE2-CD2 3.78Å; Y166-F201 HydrophobicContact CE2-CD2 3.78Å; Y166-F201 AromaticContact CE2-CG 3.97Å; Y166-F201 HydrophobicContact CE2-CG 3.97Å; V167-F201 CarbonylContact O-C 3.58Å; V167-F201 WeakPolarHBondContact O-CA 3.22Å; V167-F201 WeakPolarHBondContact O-CB 3.46Å; A195-F201 HydrophobicContact CB-CB 3.6Å; A195-F201 HydrophobicContact CB-CD1 4.41Å; A195-F201 HydrophobicContact CB-CG 4.24Å; F201-M235 HydrophobicContact CE2-CE 3.61Å; F201-M235 HydrophobicContact CE2-CG 4.36Å; F201-M235 HydrophobicContact CZ-CE 3.95Å; F201-M235 HydrophobicContact CZ-CG 3.89Å
202C98.9Very high98.4Very high1 Ų123.9 Ų23.91%0.00712%0.115CC..EExtended strand (participates in β ladder)trans-130.2147.4174.5-53.40000112.8W137 F138 C139 L156 Y166 V167W137-C202 HydrophobicContact CE3-CB 4.37Å; F138-C202 CarbonylContact O-C 3.5Å; F138-C202 WeakPolarHBondContact O-CA 3.38Å; F138-C202 WeakPolarHBondContact O-CB 3.47Å; C139-C202 HydrophobicContact CB-CB 4.14Å; C139-C202 WeakPolarHBondContact CB-SG 3.42Å; C139-C202 WeakPolarHBondContact SG-CB 3.32Å; C139-C202 CovalentContact SG-SG 2.05Å; C139-C202 PolarHBondContact SG-SG 2.63Å; L156-C202 HydrophobicContact CD2-CB 4.13Å; Y166-C202 WeakPolarHBondContact CA-O 3.48Å; V167-C202 HydrophobicContact CG1-CB 3.9Å; V167-C202 PolarHBondContact N-O 3.5Å; V167-C202 PolarHBondContact O-N 2.86Å
203I98.9Very high98.5Very high0 Ų026.9 Ų26.90%013%0.134CC..EExtended strand (participates in β ladder)trans-128151.2166.165.3179.6000110.2F127 F138 V165 Y166 L207 A208 M211 M235 I239F127-I203 HydrophobicContact CD2-CD1 4.37Å; F127-I203 HydrophobicContact CE2-CD1 3.8Å; F138-I203 HydrophobicContact CB-CG1 3.89Å; F138-I203 HydrophobicContact CD1-CD1 4.2Å; F138-I203 HydrophobicContact CD1-CG1 3.9Å; F138-I203 HydrophobicContact CG-CG1 4.35Å; F138-I203 PolarHBondContact N-O 2.93Å; F138-I203 PolarHBondContact O-N 3.11Å; V165-I203 WeakPolarHBondContact O-CA 3.43Å; Y166-I203 HydrophobicContact CD2-CG2 3.55Å; Y166-I203 HydrophobicContact CE2-CG2 4.31Å; Y166-I203 HydrophobicContact CG-CG2 4.13Å; I203-L207 HydrophobicContact CB-CD2 4.31Å; I203-L207 HydrophobicContact CG2-CD2 4.12Å; I203-A208 HydrophobicContact CD1-CB 3.71Å; I203-A208 HydrophobicContact CG1-CB 4.36Å; I203-M211 HydrophobicContact CD1-CE 4.43Å; I203-M211 HydrophobicContact CD1-SD 3.76Å; I203-M235 HydrophobicContact CD1-CE 3.9Å; I203-I239 HydrophobicContact CG2-CD1 4.03Å
204N98.7Very high98.5Very high12 Ų1226.4 Ų26.46%0.06413%0.132CC..EExtended strand (participates in β ladder)trans-86.5158.8170.5723.2000111.9R136 W137 S163 V165 K206 L207 A208R136-N204 CarbonylContact O-C 3.52Å; R136-N204 WeakPolarHBondContact O-CA 3.38Å; W137-N204 HydrophobicContact CD2-CB 3.96Å; W137-N204 HydrophobicContact CE3-CB 3.79Å; W137-N204 HydrophobicContact CH2-CB 3.96Å; W137-N204 HydrophobicContact CZ2-CB 4.1Å; W137-N204 HydrophobicContact CZ3-CB 3.79Å; S163-N204 PolarHBondContact O-ND2 3.4Å; V165-N204 PolarHBondContact N-OD1 2.99Å; V165-N204 PolarHBondContact O-N 3.34Å; N204-K206 PolarHBondContact O-N 2.81Å; N204-L207 PolarHBondContact O-N 2.82Å; N204-L207 VanDerWaalsContact O-N 3.14Å; N204-L207 WeakPolarHBondContact OD1-CB 3.3Å; N204-L207 PolarHBondContact OD1-N 2.8Å; N204-A208 PolarHBondContact O-N 3.29Å
205R98.3Very high98.4Very high65 Ų6525.9 Ų25.925%0.24513%0.13CC..Hα-helixtrans-56.3-37.9-178.3-173.7178.4-176.873.71.9112.5F130 L131 L135 R136 L207 A208 L209F130-R205 HydrophobicContact CZ-CB 3.98Å; F130-R205 HydrophobicContact CZ-CG 4.41Å; L131-R205 PolarHBondContact O-NH1 2.89Å; L131-R205 PolarHBondContact O-NH2 2.81Å; L135-R205 WeakPolarHBondContact O-CB 3.44Å; L135-R205 WeakPolarHBondContact O-CD 3.47Å; R136-R205 PolarHBondContact O-N 3.31Å; R205-L207 VanDerWaalsContact C-N 3.35Å; R205-L207 PolarHBondContact O-N 3.16Å; R205-A208 PolarHBondContact O-N 3.01Å; R205-L209 HydrophobicContact CG-CD1 4.1Å; R205-L209 HydrophobicContact CG-CG 4.24Å; R205-L209 WeakPolarHBondContact O-CG 3.25Å; R205-L209 PolarHBondContact O-N 3.02Å
206K98Very high98.3Very high90 Ų9027.8 Ų27.839%0.39114%0.143SC..Hα-helixtrans-58.1-46.9178.9-173-178.5176.1169.70111.4D162 D164 N204D162-K206 PolarHBondContact O-NZ 3.05Å; D164-K206 WeakPolarHBondContact OD1-CD 3.44Å; D164-K206 WeakPolarHBondContact OD1-CE 3.31Å; D164-K206 WeakPolarHBondContact OD1-CG 3.44Å; N204-K206 PolarHBondContact O-N 2.81Å
207L98.8Very high98Very high3 Ų328.7 Ų28.72%0.01616%0.155CC..Hα-helixtrans-66.7-46174.7179.456.1000111.4D164 V165 I203 N204 R205 L209 K210 M211 I239 L243D164-L207 HydrophobicContact CB-CB 4.08Å; D164-L207 HydrophobicContact CB-CD1 4.18Å; V165-L207 WeakPolarHBondContact O-CD2 3.39Å; I203-L207 HydrophobicContact CB-CD2 4.31Å; I203-L207 HydrophobicContact CG2-CD2 4.12Å; N204-L207 PolarHBondContact O-N 2.82Å; N204-L207 VanDerWaalsContact O-N 3.14Å; N204-L207 WeakPolarHBondContact OD1-CB 3.3Å; N204-L207 PolarHBondContact OD1-N 2.8Å; R205-L207 VanDerWaalsContact C-N 3.35Å; R205-L207 PolarHBondContact O-N 3.16Å; L207-L209 VanDerWaalsContact C-N 3.31Å; L207-L209 PolarHBondContact O-N 3.29Å; L207-K210 WeakPolarHBondContact O-CA 3.28Å; L207-K210 WeakPolarHBondContact O-CB 3.44Å; L207-K210 PolarHBondContact O-N 3.1Å; L207-M211 HydrophobicContact CD1-CG 4.35Å; L207-M211 HydrophobicContact CG-CG 4.39Å; L207-M211 HydrophobicContact CG-SD 4.02Å; L207-M211 WeakPolarHBondContact O-CG 3.4Å; L207-M211 PolarHBondContact O-N 3.09Å; L207-I239 HydrophobicContact CD1-CG1 4.46Å; L207-I239 HydrophobicContact CD1-CG2 4.44Å; L207-I239 HydrophobicContact CD2-CD1 4.06Å; L207-I239 HydrophobicContact CD2-CG1 4.15Å; L207-I239 HydrophobicContact CD2-CG2 4.1Å; L207-I239 HydrophobicContact CG-CG1 4.49Å; L207-L243 HydrophobicContact CD1-CD1 3.78Å
208A98.7Very high97.8Very high0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-57.8-41.818000000112.7F127 F130 L131 I203 N204 R205 K210 M211 A212F127-A208 HydrophobicContact CE2-CB 3.87Å; F127-A208 HydrophobicContact CZ-CB 3.89Å; F127-A208 VanDerWaalsContact CZ-O 3.32Å; F127-A208 WeakPolarHBondContact CZ-O 3.24Å; F130-A208 HydrophobicContact CD1-CB 4.19Å; F130-A208 HydrophobicContact CE1-CB 3.58Å; L131-A208 HydrophobicContact CD2-CB 3.88Å; I203-A208 HydrophobicContact CD1-CB 3.71Å; I203-A208 HydrophobicContact CG1-CB 4.36Å; N204-A208 PolarHBondContact O-N 3.29Å; R205-A208 PolarHBondContact O-N 3.01Å; A208-K210 PolarHBondContact O-N 3.14Å; A208-M211 WeakPolarHBondContact O-CB 3.47Å; A208-M211 PolarHBondContact O-N 3.21Å; A208-A212 PolarHBondContact O-N 3.34Å; A208-A212 VanDerWaalsContact O-N 3.16Å
209L98.6Very high97.8Very high93 Ų9337.6 Ų37.649%0.48719%0.194SC..Hα-helixtrans-59.9-36.1175.5-73.3170.4000112.3L131 R205 L207 M211 A212L131-L209 HydrophobicContact CD2-CD2 4.07Å; L131-L209 HydrophobicContact CD2-CG 4.41Å; R205-L209 HydrophobicContact CG-CD1 4.1Å; R205-L209 HydrophobicContact CG-CG 4.24Å; R205-L209 WeakPolarHBondContact O-CG 3.25Å; R205-L209 PolarHBondContact O-N 3.02Å; L207-L209 VanDerWaalsContact C-N 3.31Å; L207-L209 PolarHBondContact O-N 3.29Å; L209-M211 VanDerWaalsContact C-N 3.34Å; L209-A212 WeakPolarHBondContact O-CB 3.37Å; L209-A212 PolarHBondContact O-N 2.88Å
210K98.8Very high97.8Very high86 Ų8637.6 Ų37.637%0.37419%0.194SC..Hα-helixtrans-71.7-29174.7-65.6171.9176.9173.70112.4D164 L207 A208 A212 P213 L243D164-K210 IonicContact OD1-NZ 2.61Å; D164-K210 PolarHBondContact OD1-NZ 2.72Å; D164-K210 IonicContact OD2-NZ 3.93Å; D164-K210 PolarHBondContact OD2-NZ 2.86Å; L207-K210 WeakPolarHBondContact O-CA 3.28Å; L207-K210 WeakPolarHBondContact O-CB 3.44Å; L207-K210 PolarHBondContact O-N 3.1Å; A208-K210 PolarHBondContact O-N 3.14Å; K210-A212 VanDerWaalsContact C-N 3.31Å; K210-P213 WeakPolarHBondContact O-CD 3.4Å; K210-L243 HydrophobicContact CB-CD1 3.9Å; K210-L243 HydrophobicContact CB-CD2 4.07Å
211M98.8Very high97.7Very high0 Ų040.9 Ų40.90%021%0.211CC..Hα-helixtrans-74.5-20.3176.7-64169.465.500112.9F127 I203 L207 A208 L209 P213 W214 A215 M235 I238 I239 L243F127-M211 HydrophobicContact CE2-CB 4.36Å; F127-M211 HydrophobicContact CE2-CE 4.13Å; F127-M211 HydrophobicContact CE2-SD 4.23Å; F127-M211 HydrophobicContact CZ-CB 3.87Å; I203-M211 HydrophobicContact CD1-CE 4.43Å; I203-M211 HydrophobicContact CD1-SD 3.76Å; L207-M211 HydrophobicContact CD1-CG 4.35Å; L207-M211 HydrophobicContact CG-CG 4.39Å; L207-M211 HydrophobicContact CG-SD 4.02Å; L207-M211 WeakPolarHBondContact O-CG 3.4Å; L207-M211 PolarHBondContact O-N 3.09Å; A208-M211 WeakPolarHBondContact O-CB 3.47Å; A208-M211 PolarHBondContact O-N 3.21Å; L209-M211 VanDerWaalsContact C-N 3.34Å; M211-P213 VanDerWaalsContact C-N 3.32Å; M211-P213 WeakPolarHBondContact O-CD 3.48Å; M211-P213 VanDerWaalsContact O-N 3.1Å; M211-W214 PolarHBondContact O-N 2.92Å; M211-A215 HydrophobicContact CB-CB 4.11Å; M211-A215 WeakPolarHBondContact O-CB 3.48Å; M211-A215 PolarHBondContact O-N 3.18Å; M211-M235 HydrophobicContact CE-CE 3.71Å; M211-M235 HydrophobicContact CE-SD 3.64Å; M211-I238 HydrophobicContact CB-CG2 3.93Å; M211-I238 HydrophobicContact CE-CB 4.37Å; M211-I238 HydrophobicContact CE-CG2 4.18Å; M211-I238 HydrophobicContact CG-CG2 3.85Å; M211-I239 HydrophobicContact CE-CD1 3.88Å; M211-I239 HydrophobicContact CE-CG1 3.77Å; M211-I239 HydrophobicContact CG-CG1 4.16Å; M211-I239 HydrophobicContact SD-CD1 3.8Å; M211-I239 HydrophobicContact SD-CG1 3.57Å; M211-I239 VanDerWaalsContact SD-CG1 3.57Å; M211-L243 HydrophobicContact CB-CD1 4.36Å; M211-L243 HydrophobicContact CG-CD1 3.53Å
212A98.2Very high97.7Very high25 Ų2545.5 Ų45.521%0.20724%0.235CC..Hα-helixtrans-48.5-38.4-174.600000115.7L131 A208 L209 K210 W214 A215 S216L131-A212 HydrophobicContact CD1-CB 4.4Å; A208-A212 PolarHBondContact O-N 3.34Å; A208-A212 VanDerWaalsContact O-N 3.16Å; L209-A212 WeakPolarHBondContact O-CB 3.37Å; L209-A212 PolarHBondContact O-N 2.88Å; K210-A212 VanDerWaalsContact C-N 3.31Å; A212-W214 PolarHBondContact O-N 2.84Å; A212-A215 PolarHBondContact O-N 3.35Å; A212-S216 PolarHBondContact O-N 3.42Å
213P98.4Very high97.6Very high64 Ų6446 Ų4642%0.41624%0.239SC..Hα-helixtrans-62.5-13.5176.5-23.135.4000115.4K210 M211 R219K210-P213 WeakPolarHBondContact O-CD 3.4Å; M211-P213 VanDerWaalsContact C-N 3.32Å; M211-P213 WeakPolarHBondContact O-CD 3.48Å; M211-P213 VanDerWaalsContact O-N 3.1Å; P213-R219 VanDerWaalsContact O-CD 3.27Å; P213-R219 WeakPolarHBondContact O-CD 3.37Å; P213-R219 PolarHBondContact O-NH1 3.46Å
214W98.6Very high97.5Very high76 Ų7646.1 Ų46.129%0.28824%0.239SC..Hα-helixtrans-122.2-16.7176.1-58.6-83.5000113.5M211 A212 R219 F220 T223 I238 K242 L243M211-W214 PolarHBondContact O-N 2.92Å; A212-W214 PolarHBondContact O-N 2.84Å; W214-R219 CarbonylContact O-C 3.02Å; W214-R219 WeakPolarHBondContact O-CB 3.4Å; W214-F220 WeakPolarHBondContact O-CA 3.38Å; W214-F220 PolarHBondContact O-N 3.19Å; W214-T223 PolarHBondContact O-OG1 3.06Å; W214-I238 HydrophobicContact CB-CD1 3.81Å; W214-I238 HydrophobicContact CB-CG1 3.85Å; W214-I238 HydrophobicContact CB-CG2 4Å; W214-I238 HydrophobicContact CE3-CG2 4.26Å; W214-I238 HydrophobicContact CG-CG2 4.48Å; W214-K242 HydrophobicContact CD2-CB 4.02Å; W214-K242 HydrophobicContact CD2-CG 4.13Å; W214-K242 HydrophobicContact CE3-CB 4.27Å; W214-K242 HydrophobicContact CG-CG 4.25Å; W214-K242 HydrophobicContact CH2-CB 4.22Å; W214-K242 HydrophobicContact CZ2-CB 3.96Å; W214-K242 HydrophobicContact CZ2-CG 4.44Å; W214-K242 HydrophobicContact CZ3-CB 4.38Å; W214-L243 HydrophobicContact CE3-CD2 4.45Å; W214-L243 HydrophobicContact CH2-CD2 4.16Å; W214-L243 HydrophobicContact CZ3-CD2 3.61Å; W214-L243 HydrophobicContact CZ3-CG 4.33Å
215A97.9Very high97.4Very high0 Ų048.2 Ų48.20%026%0.259CS..Hα-helixtrans-117.2-21.4-170.900000115.1F127 M211 A212 F220 I238F127-A215 HydrophobicContact CD1-CB 3.93Å; F127-A215 HydrophobicContact CE1-CB 3.57Å; F127-A215 HydrophobicContact CE2-CB 4.2Å; F127-A215 HydrophobicContact CG-CB 4.37Å; F127-A215 HydrophobicContact CZ-CB 3.72Å; M211-A215 HydrophobicContact CB-CB 4.11Å; M211-A215 WeakPolarHBondContact O-CB 3.48Å; M211-A215 PolarHBondContact O-N 3.18Å; A212-A215 PolarHBondContact O-N 3.35Å; A215-F220 HydrophobicContact CB-CD2 3.96Å; A215-F220 WeakPolarHBondContact O-CB 3.36Å; A215-I238 HydrophobicContact CB-CD1 4.04Å
216S95.3Very high97.2Very high40 Ų4048 Ų4828%0.2826%0.262SS..SBendtrans-89143.9-175.9-173.20000112.4D128 A212 R219D128-S216 WeakPolarHBondContact OD1-CA 3.4Å; D128-S216 WeakPolarHBondContact OD1-CB 3.45Å; D128-S216 PolarHBondContact OD1-OG 3.43Å; A212-S216 PolarHBondContact O-N 3.42Å; S216-R219 WeakPolarHBondContact O-CB 3.32Å; S216-R219 VanDerWaalsContact O-CG 3.3Å; S216-R219 WeakPolarHBondContact O-CG 3.5Å; S216-R219 PolarHBondContact O-N 2.84Å
217G92.7Very high97.1Very high31 Ų3144.1 Ų44.132%0.3225%0.245SC..THydrogen-bonded Turntrans64.2-139.2-175.700000112.3D128 R219D128-G217 PolarHBondContact OD1-N 3.36Å; D128-G217 VanDerWaalsContact OD2-CA 3.25Å; D128-G217 WeakPolarHBondContact OD2-CA 3.49Å; D128-G217 PolarHBondContact OD2-N 3.17Å; G217-R219 PolarHBondContact O-N 3.36Å; G217-R219 VanDerWaalsContact O-N 3.16Å
218S92.9Very high96.9Very high69 Ų6953.5 Ų53.548%0.48328%0.28SS..THydrogen-bonded Turntrans-67-15.2179.466.60000114F220 M221 D222S218-F220 VanDerWaalsContact C-N 3.29Å; S218-F220 PolarHBondContact O-N 3.43Å; S218-M221 WeakPolarHBondContact O-CB 3.41Å; S218-M221 PolarHBondContact O-N 2.9Å; S218-M221 VanDerWaalsContact O-N 3.12Å; S218-D222 PolarHBondContact O-N 3.48Å; S218-D222 VanDerWaalsContact O-N 3.15Å; S218-D222 PolarHBondContact OG-OD2 3.01Å
219R97.8Very high96.8Very high133 Ų13354.9 Ų54.950%0.50229%0.288SS..Hα-helixtrans-65.8-29.8-167.4-59.2178.8176.7-121.6-2.4113.4P213 W214 S216 G217 M221 D222 T223P213-R219 VanDerWaalsContact O-CD 3.27Å; P213-R219 WeakPolarHBondContact O-CD 3.37Å; P213-R219 PolarHBondContact O-NH1 3.46Å; W214-R219 CarbonylContact O-C 3.02Å; W214-R219 WeakPolarHBondContact O-CB 3.4Å; S216-R219 WeakPolarHBondContact O-CB 3.32Å; S216-R219 VanDerWaalsContact O-CG 3.3Å; S216-R219 WeakPolarHBondContact O-CG 3.5Å; S216-R219 PolarHBondContact O-N 2.84Å; G217-R219 PolarHBondContact O-N 3.36Å; G217-R219 VanDerWaalsContact O-N 3.16Å; R219-M221 VanDerWaalsContact C-N 3.32Å; R219-D222 PolarHBondContact O-N 3.02Å; R219-T223 WeakPolarHBondContact O-CB 3.44Å; R219-T223 PolarHBondContact O-N 3.05Å; R219-T223 PolarHBondContact O-OG1 3.16Å
220F97.9Very high96.6Very high0 Ų052.9 Ų52.90%028%0.28CS..Hα-helixtrans-62.1-44.6176.2-166.3-92.7000111.1S120 M123 A124 W214 A215 S218 T223 S224 D231 T234 M235 I238S120-F220 VanDerWaalsContact O-CD1 3.32Å; S120-F220 WeakPolarHBondContact O-CD1 3.45Å; M123-F220 HydrophobicContact CB-CD1 4.29Å; M123-F220 HydrophobicContact CB-CE1 3.75Å; M123-F220 HydrophobicContact CB-CZ 4.12Å; M123-F220 HydrophobicContact CG-CD1 4.23Å; M123-F220 HydrophobicContact CG-CE1 3.52Å; M123-F220 HydrophobicContact CG-CE2 3.96Å; M123-F220 HydrophobicContact CG-CZ 3.35Å; A124-F220 HydrophobicContact CB-CB 3.87Å; A124-F220 HydrophobicContact CB-CG 4.47Å; W214-F220 WeakPolarHBondContact O-CA 3.38Å; W214-F220 PolarHBondContact O-N 3.19Å; A215-F220 HydrophobicContact CB-CD2 3.96Å; A215-F220 WeakPolarHBondContact O-CB 3.36Å; S218-F220 VanDerWaalsContact C-N 3.29Å; S218-F220 PolarHBondContact O-N 3.43Å; F220-T223 PolarHBondContact O-N 3.28Å; F220-S224 WeakPolarHBondContact O-CB 3.03Å; F220-S224 PolarHBondContact O-N 2.96Å; F220-D231 HydrophobicContact CE1-CB 3.86Å; F220-D231 HydrophobicContact CZ-CB 4.18Å; F220-D231 WeakPolarHBondContact CZ-O 3.29Å; F220-T234 HydrophobicContact CD1-CG2 4.48Å; F220-T234 HydrophobicContact CD2-CG2 4.23Å; F220-T234 HydrophobicContact CE1-CG2 4.06Å; F220-T234 HydrophobicContact CE2-CG2 3.77Å; F220-T234 HydrophobicContact CZ-CG2 3.69Å; F220-M235 HydrophobicContact CE2-CG 4.08Å; F220-M235 HydrophobicContact CE2-SD 3.5Å; F220-M235 WeakPolarHBondContact CE2-SD 3.46Å; F220-M235 HydrophobicContact CZ-CG 4.08Å; F220-M235 HydrophobicContact CZ-SD 4.05Å; F220-I238 HydrophobicContact CD2-CD1 4.18Å; F220-I238 HydrophobicContact CE2-CD1 4.24Å
221M97.5Very high96.6Very high69 Ų6949.3 Ų49.334%0.3427%0.265SS..Hα-helixtrans-65.1-43.1176.5-63.9179.5-74.600110.9C121 S218 R219 T223 S224 A225C121-M221 HydrophobicContact CB-CG 4.39Å; C121-M221 HydrophobicContact CB-SD 3.68Å; S218-M221 WeakPolarHBondContact O-CB 3.41Å; S218-M221 PolarHBondContact O-N 2.9Å; S218-M221 VanDerWaalsContact O-N 3.12Å; R219-M221 VanDerWaalsContact C-N 3.32Å; M221-T223 VanDerWaalsContact C-N 3.29Å; M221-T223 PolarHBondContact O-N 3.46Å; M221-S224 PolarHBondContact O-N 3.41Å; M221-A225 VanDerWaalsContact O-CB 3.26Å; M221-A225 WeakPolarHBondContact O-CB 3.3Å; M221-A225 PolarHBondContact O-N 3.27Å
222D97.3Very high96.5Very high98 Ų9850.5 Ų50.552%0.52427%0.272SS..Hα-helixtrans-60-41.2176.2-60.9-33.8000111.4S218 R219 A225 L226S218-D222 PolarHBondContact O-N 3.48Å; S218-D222 VanDerWaalsContact O-N 3.15Å; S218-D222 PolarHBondContact OG-OD2 3.01Å; R219-D222 PolarHBondContact O-N 3.02Å; D222-A225 PolarHBondContact O-N 3.17Å; D222-L226 WeakPolarHBondContact O-CB 3.49Å; D222-L226 PolarHBondContact O-N 3.43Å
223T97.5Very high96.5Very high12 Ų1249.6 Ų49.67%0.07426%0.264CS..Hα-helixtrans-70-43.6178.8-570000111.8W214 R219 F220 M221 A225 L226 I227 T234 Y237 I238W214-T223 PolarHBondContact O-OG1 3.06Å; R219-T223 WeakPolarHBondContact O-CB 3.44Å; R219-T223 PolarHBondContact O-N 3.05Å; R219-T223 PolarHBondContact O-OG1 3.16Å; F220-T223 PolarHBondContact O-N 3.28Å; M221-T223 VanDerWaalsContact C-N 3.29Å; M221-T223 PolarHBondContact O-N 3.46Å; T223-A225 VanDerWaalsContact C-N 3.34Å; T223-L226 WeakPolarHBondContact O-CB 3.42Å; T223-L226 PolarHBondContact O-N 2.81Å; T223-I227 WeakPolarHBondContact O-CG1 3.21Å; T223-I227 PolarHBondContact O-N 3.03Å; T223-T234 HydrophobicContact CG2-CG2 4.02Å; T223-Y237 HydrophobicContact CG2-CD1 3.8Å; T223-Y237 HydrophobicContact CG2-CE1 3.71Å; T223-I238 HydrophobicContact CG2-CD1 4.08Å; T223-I238 HydrophobicContact CG2-CG1 3.84Å
224S96.8Very high96.5Very high2 Ų246.5 Ų46.51%0.01424%0.244CC..Hα-helixtrans-58.9-46.5172.6166.30000110.9S120 F220 M221 L226 I227 R228 L229 T234S120-S224 WeakPolarHBondContact OG-CB 3.5Å; S120-S224 PolarHBondContact OG-OG 3.42Å; F220-S224 WeakPolarHBondContact O-CB 3.03Å; F220-S224 PolarHBondContact O-N 2.96Å; M221-S224 PolarHBondContact O-N 3.41Å; S224-L226 VanDerWaalsContact C-N 3.32Å; S224-L226 PolarHBondContact O-N 3.44Å; S224-I227 PolarHBondContact O-N 2.88Å; S224-R228 WeakPolarHBondContact O-CA 3.35Å; S224-R228 PolarHBondContact O-N 3.38Å; S224-L229 PolarHBondContact O-N 3.45Å; S224-L229 PolarHBondContact OG-O 3.37Å; S224-T234 WeakPolarHBondContact CA-OG1 3.19Å; S224-T234 WeakPolarHBondContact CB-OG1 3.32Å
225A96Very high96.5Very high57 Ų5742.9 Ų42.947%0.47123%0.23SC..Hα-helixtrans-64.1-36.3179.300000112.5M221 D222 T223 R228M221-A225 VanDerWaalsContact O-CB 3.26Å; M221-A225 WeakPolarHBondContact O-CB 3.3Å; M221-A225 PolarHBondContact O-N 3.27Å; D222-A225 PolarHBondContact O-N 3.17Å; T223-A225 VanDerWaalsContact C-N 3.34Å; A225-R228 WeakPolarHBondContact O-CG 3.41Å; A225-R228 PolarHBondContact O-N 3.24Å
226L95.3Very high96.5Very high61 Ų6142.9 Ų42.932%0.31923%0.23SC..Hα-helixtrans-58.7-48176.1177.369.2000111.6E180 P181 D222 T223 S224E180-L226 HydrophobicContact CG-CD2 4.16Å; E180-L226 HydrophobicContact CG-CG 4.44Å; P181-L226 HydrophobicContact CB-CD1 4.08Å; P181-L226 WeakPolarHBondContact CD-O 3.3Å; P181-L226 HydrophobicContact CG-CD1 4.02Å; D222-L226 WeakPolarHBondContact O-CB 3.49Å; D222-L226 PolarHBondContact O-N 3.43Å; T223-L226 WeakPolarHBondContact O-CB 3.42Å; T223-L226 PolarHBondContact O-N 2.81Å; S224-L226 VanDerWaalsContact C-N 3.32Å; S224-L226 PolarHBondContact O-N 3.44Å
227I95.7Very high96.7Very high8 Ų841 Ų414%0.04122%0.217CC..Hα-helixtrans-90.7-11.7-177.666.2-178.8000113.3T223 S224 L229 Y237T223-I227 WeakPolarHBondContact O-CG1 3.21Å; T223-I227 PolarHBondContact O-N 3.03Å; S224-I227 PolarHBondContact O-N 2.88Å; I227-L229 VanDerWaalsContact C-N 3.31Å; I227-L229 HydrophobicContact CD1-CB 4.02Å; I227-L229 HydrophobicContact CD1-CD1 4.13Å; I227-L229 HydrophobicContact CD1-CG 4.44Å; I227-L229 HydrophobicContact CG1-CB 3.92Å; I227-L229 HydrophobicContact CG1-CD1 4.3Å; I227-L229 HydrophobicContact CG1-CG 4.2Å; I227-L229 PolarHBondContact O-N 2.86Å; I227-Y237 HydrophobicContact CD1-CD1 3.76Å; I227-Y237 HydrophobicContact CD1-CD2 4.35Å; I227-Y237 HydrophobicContact CD1-CE1 4.47Å; I227-Y237 HydrophobicContact CD1-CG 3.66Å; I227-Y237 HydrophobicContact CG2-CD1 3.98Å; I227-Y237 HydrophobicContact CG2-CD2 4.06Å; I227-Y237 HydrophobicContact CG2-CE1 3.68Å; I227-Y237 HydrophobicContact CG2-CE2 3.76Å; I227-Y237 HydrophobicContact CG2-CG 4.14Å
228R95.1Very high97Very high199 Ų19939.5 Ų39.575%0.75120%0.202SC*.THydrogen-bonded Turntrans55.742.3-177.8-54.5179.6-179.2-170.4-1113S224 A225S224-R228 WeakPolarHBondContact O-CA 3.35Å; S224-R228 PolarHBondContact O-N 3.38Å; A225-R228 WeakPolarHBondContact O-CG 3.41Å; A225-R228 PolarHBondContact O-N 3.24Å
229L95.3Very high97.3Very high29 Ų2936.3 Ų36.315%0.15218%0.179CC..  trans-123159.8179.5-66175.4000111.5I176 A178 F192 S224 I227 C233I176-L229 HydrophobicContact CD1-CD2 4.37Å; A178-L229 HydrophobicContact CB-CD1 3.62Å; F192-L229 HydrophobicContact CZ-CD1 3.75Å; S224-L229 PolarHBondContact O-N 3.45Å; S224-L229 PolarHBondContact OG-O 3.37Å; I227-L229 VanDerWaalsContact C-N 3.31Å; I227-L229 HydrophobicContact CD1-CB 4.02Å; I227-L229 HydrophobicContact CD1-CD1 4.13Å; I227-L229 HydrophobicContact CD1-CG 4.44Å; I227-L229 HydrophobicContact CG1-CB 3.92Å; I227-L229 HydrophobicContact CG1-CD1 4.3Å; I227-L229 HydrophobicContact CG1-CG 4.2Å; I227-L229 PolarHBondContact O-N 2.86Å; L229-C233 HydrophobicContact CB-CB 3.59Å; L229-C233 HydrophobicContact CD1-CB 4.06Å; L229-C233 HydrophobicContact CG-CB 4.38Å
230P95.7Very high97.3Very high51 Ų5131.6 Ų31.633%0.33116%0.163SC..  trans-58.5172175-22.934.2000113.9C233 T234P230-C233 PolarHBondContact O-N 2.89Å; P230-T234 WeakPolarHBondContact O-CB 3.41Å; P230-T234 PolarHBondContact O-N 2.92Å; P230-T234 PolarHBondContact O-OG1 3.28Å
231D97.4Very high97.3Very high12 Ų1233.2 Ų33.26%0.06417%0.174CC..Hα-helixtrans-62.8-43.4-177.358.4-28.5000112.5K61 L119 M123 F220 C233 T234 M235K61-D231 WeakPolarHBondContact CE-OD2 3.31Å; K61-D231 IonicContact NZ-OD2 2.72Å; K61-D231 PolarHBondContact NZ-OD2 3.34Å; L119-D231 HydrophobicContact CB-CB 4.44Å; M123-D231 HydrophobicContact CB-CB 3.85Å; M123-D231 HydrophobicContact CG-CB 4.13Å; F220-D231 HydrophobicContact CE1-CB 3.86Å; F220-D231 HydrophobicContact CZ-CB 4.18Å; F220-D231 WeakPolarHBondContact CZ-O 3.29Å; D231-C233 PolarHBondContact O-N 2.96Å; D231-T234 WeakPolarHBondContact O-CA 3.4Å; D231-T234 WeakPolarHBondContact O-CB 3.25Å; D231-T234 PolarHBondContact O-N 3.32Å; D231-T234 VanDerWaalsContact O-N 3.1Å; D231-M235 WeakPolarHBondContact O-CG 3.38Å; D231-M235 PolarHBondContact O-N 3.32Å
232D97.8Very high97.3Very high24 Ų2432.6 Ų32.613%0.12817%0.169CC..Hα-helixtrans-62.4-42.7176.966.1-8.1000113.1F194 G197 T234 M235 G236F194-D232 HydrophobicContact CD2-CB 4.3Å; G197-D232 PolarHBondContact N-OD2 2.91Å; D232-T234 VanDerWaalsContact C-N 3.29Å; D232-T234 PolarHBondContact O-N 3.45Å; D232-M235 WeakPolarHBondContact O-CB 3.33Å; D232-M235 PolarHBondContact O-N 3.49Å; D232-G236 PolarHBondContact O-N 3.47Å
233C98.1Very high97.4Very high6 Ų630.6 Ų30.64%0.04116%0.158CC..Hα-helixtrans-62.4-38.1172.2-66.90000111.3F192 F194 L229 P230 D231 G236 Y237F192-C233 WeakPolarHBondContact CE2-O 3.09Å; F194-C233 WeakPolarHBondContact CE2-SG 3.3Å; F194-C233 VanDerWaalsContact CZ-SG 3.52Å; L229-C233 HydrophobicContact CB-CB 3.59Å; L229-C233 HydrophobicContact CD1-CB 4.06Å; L229-C233 HydrophobicContact CG-CB 4.38Å; P230-C233 PolarHBondContact O-N 2.89Å; D231-C233 PolarHBondContact O-N 2.96Å; C233-G236 PolarHBondContact O-N 3.04Å; C233-Y237 VanDerWaalsContact O-CB 3.26Å; C233-Y237 WeakPolarHBondContact O-CB 3.39Å; C233-Y237 PolarHBondContact O-N 2.9Å
234T98.4Very high97.4Very high0 Ų033 Ų330%019%0.186CC..Hα-helixtrans-65.2-39.3178-57.50000111.1F220 T223 S224 P230 D231 D232 Y237 I238F220-T234 HydrophobicContact CD1-CG2 4.48Å; F220-T234 HydrophobicContact CD2-CG2 4.23Å; F220-T234 HydrophobicContact CE1-CG2 4.06Å; F220-T234 HydrophobicContact CE2-CG2 3.77Å; F220-T234 HydrophobicContact CZ-CG2 3.69Å; T223-T234 HydrophobicContact CG2-CG2 4.02Å; S224-T234 WeakPolarHBondContact CA-OG1 3.19Å; S224-T234 WeakPolarHBondContact CB-OG1 3.32Å; P230-T234 WeakPolarHBondContact O-CB 3.41Å; P230-T234 PolarHBondContact O-N 2.92Å; P230-T234 PolarHBondContact O-OG1 3.28Å; D231-T234 WeakPolarHBondContact O-CA 3.4Å; D231-T234 WeakPolarHBondContact O-CB 3.25Å; D231-T234 PolarHBondContact O-N 3.32Å; D231-T234 VanDerWaalsContact O-N 3.1Å; D232-T234 VanDerWaalsContact C-N 3.29Å; D232-T234 PolarHBondContact O-N 3.45Å; T234-Y237 PolarHBondContact O-N 2.69Å; T234-I238 HydrophobicContact CG2-CD1 4.05Å; T234-I238 VanDerWaalsContact O-CG1 3.28Å; T234-I238 WeakPolarHBondContact O-CG1 3.46Å; T234-I238 PolarHBondContact O-N 3.1Å
235M98.6Very high97.4Very high0 Ų034.1 Ų34.10%020%0.197CC..Hα-helixtrans-58.9-52.4172.2-67.1-66-82.700111.4M123 F127 F138 F201 I203 M211 F220 D231 D232 Y237 I238 I239M123-M235 HydrophobicContact SD-CG 4.49Å; M123-M235 HydrophobicContact SD-SD 4.35Å; F127-M235 HydrophobicContact CD2-CE 4.38Å; F138-M235 HydrophobicContact CE1-CE 4.42Å; F201-M235 HydrophobicContact CE2-CE 3.61Å; F201-M235 HydrophobicContact CE2-CG 4.36Å; F201-M235 HydrophobicContact CZ-CE 3.95Å; F201-M235 HydrophobicContact CZ-CG 3.89Å; I203-M235 HydrophobicContact CD1-CE 3.9Å; M211-M235 HydrophobicContact CE-CE 3.71Å; M211-M235 HydrophobicContact CE-SD 3.64Å; F220-M235 HydrophobicContact CE2-CG 4.08Å; F220-M235 HydrophobicContact CE2-SD 3.5Å; F220-M235 WeakPolarHBondContact CE2-SD 3.46Å; F220-M235 HydrophobicContact CZ-CG 4.08Å; F220-M235 HydrophobicContact CZ-SD 4.05Å; D231-M235 WeakPolarHBondContact O-CG 3.38Å; D231-M235 PolarHBondContact O-N 3.32Å; D232-M235 WeakPolarHBondContact O-CB 3.33Å; D232-M235 PolarHBondContact O-N 3.49Å; M235-Y237 VanDerWaalsContact C-N 3.34Å; M235-Y237 PolarHBondContact O-N 2.78Å; M235-I238 PolarHBondContact O-N 2.95Å; M235-I239 WeakPolarHBondContact O-CD1 3.28Å; M235-I239 VanDerWaalsContact O-CG1 3.25Å; M235-I239 WeakPolarHBondContact O-CG1 3.2Å; M235-I239 PolarHBondContact O-N 2.85Å
236G98.6Very high97.5Very high0 Ų041.1 Ų41.10%021%0.212CC..Hα-helixtrans-61-41.1178.200000113D232 C233 I239 E240D232-G236 PolarHBondContact O-N 3.47Å; C233-G236 PolarHBondContact O-N 3.04Å; G236-I239 PolarHBondContact O-N 3.46Å; G236-E240 WeakPolarHBondContact O-CB 3.47Å; G236-E240 PolarHBondContact O-N 3.42Å
237Y98.6Very high97.7Very high0 Ų038.9 Ų38.90%020%0.2CC..Hα-helixtrans-61-48.1176.6170.3-102.9000112.4E180 V190 F192 T223 I227 C233 T234 M235 I239 C241 K242E180-Y237 PolarHBondContact OE1-OH 3.22Å; V190-Y237 HydrophobicContact CG1-CE2 4.42Å; V190-Y237 HydrophobicContact CG2-CD2 4.23Å; V190-Y237 HydrophobicContact CG2-CE2 3.98Å; F192-Y237 HydrophobicContact CD1-CD2 4.13Å; F192-Y237 AromaticContact CE1-CD2 3.77Å; F192-Y237 HydrophobicContact CE1-CD2 3.77Å; F192-Y237 HydrophobicContact CE1-CG 4.4Å; F192-Y237 HydrophobicContact CZ-CD2 4.19Å; F192-Y237 HydrophobicContact CZ-CG 4.39Å; T223-Y237 HydrophobicContact CG2-CD1 3.8Å; T223-Y237 HydrophobicContact CG2-CE1 3.71Å; I227-Y237 HydrophobicContact CD1-CD1 3.76Å; I227-Y237 HydrophobicContact CD1-CD2 4.35Å; I227-Y237 HydrophobicContact CD1-CE1 4.47Å; I227-Y237 HydrophobicContact CD1-CG 3.66Å; I227-Y237 HydrophobicContact CG2-CD1 3.98Å; I227-Y237 HydrophobicContact CG2-CD2 4.06Å; I227-Y237 HydrophobicContact CG2-CE1 3.68Å; I227-Y237 HydrophobicContact CG2-CE2 3.76Å; I227-Y237 HydrophobicContact CG2-CG 4.14Å; C233-Y237 VanDerWaalsContact O-CB 3.26Å; C233-Y237 WeakPolarHBondContact O-CB 3.39Å; C233-Y237 PolarHBondContact O-N 2.9Å; T234-Y237 PolarHBondContact O-N 2.69Å; M235-Y237 VanDerWaalsContact C-N 3.34Å; M235-Y237 PolarHBondContact O-N 2.78Å; Y237-I239 VanDerWaalsContact C-N 3.33Å; Y237-I239 PolarHBondContact O-N 2.95Å; Y237-C241 HydrophobicContact CD2-CB 3.72Å; Y237-C241 HydrophobicContact CE2-CB 3.74Å; Y237-C241 WeakPolarHBondContact O-CA 3.5Å; Y237-C241 WeakPolarHBondContact O-CB 3.45Å; Y237-C241 PolarHBondContact O-N 3.31Å; Y237-K242 HydrophobicContact CE1-CD 4.39Å; Y237-K242 HydrophobicContact CE1-CG 4.25Å; Y237-K242 PolarHBondContact O-N 3.32Å; Y237-K242 WeakPolarHBondContact OH-CE 3Å; Y237-K242 PolarHBondContact OH-NZ 3.49Å
238I98.8Very high97.8Very high0 Ų041.5 Ų41.50%021%0.212CC..Iπ-helixtrans-60.6-47.6178-66.6168.3000109.5M211 W214 A215 F220 T223 T234 M235 K242 L243M211-I238 HydrophobicContact CB-CG2 3.93Å; M211-I238 HydrophobicContact CE-CB 4.37Å; M211-I238 HydrophobicContact CE-CG2 4.18Å; M211-I238 HydrophobicContact CG-CG2 3.85Å; W214-I238 HydrophobicContact CB-CD1 3.81Å; W214-I238 HydrophobicContact CB-CG1 3.85Å; W214-I238 HydrophobicContact CB-CG2 4Å; W214-I238 HydrophobicContact CE3-CG2 4.26Å; W214-I238 HydrophobicContact CG-CG2 4.48Å; A215-I238 HydrophobicContact CB-CD1 4.04Å; F220-I238 HydrophobicContact CD2-CD1 4.18Å; F220-I238 HydrophobicContact CE2-CD1 4.24Å; T223-I238 HydrophobicContact CG2-CD1 4.08Å; T223-I238 HydrophobicContact CG2-CG1 3.84Å; T234-I238 HydrophobicContact CG2-CD1 4.05Å; T234-I238 VanDerWaalsContact O-CG1 3.28Å; T234-I238 WeakPolarHBondContact O-CG1 3.46Å; T234-I238 PolarHBondContact O-N 3.1Å; M235-I238 PolarHBondContact O-N 2.95Å; I238-K242 WeakPolarHBondContact O-CA 3.49Å; I238-K242 VanDerWaalsContact O-CB 3.24Å; I238-K242 WeakPolarHBondContact O-CB 3.46Å; I238-K242 PolarHBondContact O-N 2.82Å; I238-K242 VanDerWaalsContact O-N 3.14Å; I238-L243 HydrophobicContact CG2-CD1 4.5Å; I238-L243 PolarHBondContact O-N 3.48Å; I238-L243 VanDerWaalsContact O-N 3.1Å
239I98.8Very high98Very high1 Ų136.6 Ų36.61%0.00521%0.206CC..Iπ-helixtrans-67.6-49.7-174.5-65.3164.3000111.5Y166 I203 L207 M211 M235 G236 Y237 L243 G244 G245Y166-I239 HydrophobicContact CD1-CB 4.27Å; Y166-I239 HydrophobicContact CD1-CD1 3.53Å; Y166-I239 HydrophobicContact CD1-CG1 4.49Å; Y166-I239 HydrophobicContact CD1-CG2 3.95Å; Y166-I239 HydrophobicContact CD2-CD1 3.95Å; Y166-I239 HydrophobicContact CE1-CD1 3.88Å; Y166-I239 HydrophobicContact CE2-CD1 4.25Å; Y166-I239 HydrophobicContact CG-CD1 3.55Å; Y166-I239 HydrophobicContact CG-CG2 4.44Å; I203-I239 HydrophobicContact CG2-CD1 4.03Å; L207-I239 HydrophobicContact CD1-CG1 4.46Å; L207-I239 HydrophobicContact CD1-CG2 4.44Å; L207-I239 HydrophobicContact CD2-CD1 4.06Å; L207-I239 HydrophobicContact CD2-CG1 4.15Å; L207-I239 HydrophobicContact CD2-CG2 4.1Å; L207-I239 HydrophobicContact CG-CG1 4.49Å; M211-I239 HydrophobicContact CE-CD1 3.88Å; M211-I239 HydrophobicContact CE-CG1 3.77Å; M211-I239 HydrophobicContact CG-CG1 4.16Å; M211-I239 HydrophobicContact SD-CD1 3.8Å; M211-I239 HydrophobicContact SD-CG1 3.57Å; M211-I239 VanDerWaalsContact SD-CG1 3.57Å; M235-I239 WeakPolarHBondContact O-CD1 3.28Å; M235-I239 VanDerWaalsContact O-CG1 3.25Å; M235-I239 WeakPolarHBondContact O-CG1 3.2Å; M235-I239 PolarHBondContact O-N 2.85Å; G236-I239 PolarHBondContact O-N 3.46Å; Y237-I239 VanDerWaalsContact C-N 3.33Å; Y237-I239 PolarHBondContact O-N 2.95Å; I239-L243 WeakPolarHBondContact O-CB 3.49Å; I239-G244 PolarHBondContact O-N 3.06Å; I239-G245 WeakPolarHBondContact O-CA 3.33Å; I239-G245 PolarHBondContact O-N 2.98Å
240E98.6Very high98.1Very high34 Ų3435.6 Ų35.616%0.15920%0.201CC..Iπ-helixtrans-84.5-43.2-175.2-60.7-149.2162.200112.9F192 W193 G236 G244 R246 L247F192-E240 WeakPolarHBondContact CA-OE2 3.36Å; F192-E240 HydrophobicContact CB-CB 3.83Å; F192-E240 HydrophobicContact CB-CG 4.44Å; W193-E240 PolarHBondContact N-OE2 2.92Å; G236-E240 WeakPolarHBondContact O-CB 3.47Å; G236-E240 PolarHBondContact O-N 3.42Å; E240-G244 WeakPolarHBondContact O-CA 3.41Å; E240-G244 PolarHBondContact O-N 3.4Å; E240-R246 WeakPolarHBondContact OE1-CA 3.34Å; E240-L247 PolarHBondContact OE1-N 3.29Å
241C98Very high98.2Very high35 Ų3537.4 Ų37.424%0.23621%0.213CC..Iπ-helixtrans-88.8-30.3-174.2-65.80000114.3F192 Y237F192-C241 VanDerWaalsContact CD1-SG 3.51Å; Y237-C241 HydrophobicContact CD2-CB 3.72Å; Y237-C241 HydrophobicContact CE2-CB 3.74Å; Y237-C241 WeakPolarHBondContact O-CA 3.5Å; Y237-C241 WeakPolarHBondContact O-CB 3.45Å; Y237-C241 PolarHBondContact O-N 3.31Å
242K97.8Very high98.3Very high56 Ų5639 Ų3924%0.24322%0.221CC..Iπ-helixtrans-94.8-37.8178.8-55.6-60.6-162-177.60112.6E180 W214 Y237 I238E180-K242 IonicContact OE1-NZ 3.67Å; E180-K242 PolarHBondContact OE1-NZ 2.91Å; W214-K242 HydrophobicContact CD2-CB 4.02Å; W214-K242 HydrophobicContact CD2-CG 4.13Å; W214-K242 HydrophobicContact CE3-CB 4.27Å; W214-K242 HydrophobicContact CG-CG 4.25Å; W214-K242 HydrophobicContact CH2-CB 4.22Å; W214-K242 HydrophobicContact CZ2-CB 3.96Å; W214-K242 HydrophobicContact CZ2-CG 4.44Å; W214-K242 HydrophobicContact CZ3-CB 4.38Å; Y237-K242 HydrophobicContact CE1-CD 4.39Å; Y237-K242 HydrophobicContact CE1-CG 4.25Å; Y237-K242 PolarHBondContact O-N 3.32Å; Y237-K242 WeakPolarHBondContact OH-CE 3Å; Y237-K242 PolarHBondContact OH-NZ 3.49Å; I238-K242 WeakPolarHBondContact O-CA 3.49Å; I238-K242 VanDerWaalsContact O-CB 3.24Å; I238-K242 WeakPolarHBondContact O-CB 3.46Å; I238-K242 PolarHBondContact O-N 2.82Å; I238-K242 VanDerWaalsContact O-N 3.14Å
243L98.4Very high98.4Very high56 Ų5637.9 Ų37.929%0.29322%0.215SC..THydrogen-bonded Turntrans-102.8-11.6-175-62.2177.3000114.4L207 K210 M211 W214 I238 I239 G245L207-L243 HydrophobicContact CD1-CD1 3.78Å; K210-L243 HydrophobicContact CB-CD1 3.9Å; K210-L243 HydrophobicContact CB-CD2 4.07Å; M211-L243 HydrophobicContact CB-CD1 4.36Å; M211-L243 HydrophobicContact CG-CD1 3.53Å; W214-L243 HydrophobicContact CE3-CD2 4.45Å; W214-L243 HydrophobicContact CH2-CD2 4.16Å; W214-L243 HydrophobicContact CZ3-CD2 3.61Å; W214-L243 HydrophobicContact CZ3-CG 4.33Å; I238-L243 HydrophobicContact CG2-CD1 4.5Å; I238-L243 PolarHBondContact O-N 3.48Å; I238-L243 VanDerWaalsContact O-N 3.1Å; I239-L243 WeakPolarHBondContact O-CB 3.49Å; L243-G245 PolarHBondContact O-N 2.85Å
244G97.9Very high98.4Very high63 Ų6338.1 Ų38.165%0.64922%0.216SC*.  trans67.418.5-175.500000113.6I239 E240I239-G244 PolarHBondContact O-N 3.06Å; E240-G244 WeakPolarHBondContact O-CA 3.41Å; E240-G244 PolarHBondContact O-N 3.4Å
245G97.7Very high98.4Very high25 Ų2538.2 Ų38.226%0.25822%0.216SC..  trans-73.6-175.9172.100000111.9I239 L243I239-G245 WeakPolarHBondContact O-CA 3.33Å; I239-G245 PolarHBondContact O-N 2.98Å; L243-G245 PolarHBondContact O-N 2.85Å
246R97.8Very high98.3Very high204 Ų20439.9 Ų39.977%0.7722%0.224SC*.  trans-143.7141.5178.2-63.6-174.9-176.2-171.5-0.1110.8E240 Q248E240-R246 WeakPolarHBondContact OE1-CA 3.34Å; R246-Q248 PolarHBondContact O-N 2.89Å
247L98.7Very high98.1Very high14 Ų1444.3 Ų44.37%0.07325%0.247CC..EExtended strand (participates in β ladder)trans-63.7128.5163.1175.960.8000109.6Y166 P170 W193 A195 E240 P249Y166-L247 HydrophobicContact CD1-CB 4.01Å; Y166-L247 HydrophobicContact CD1-CD1 3.88Å; Y166-L247 HydrophobicContact CD2-CD1 4.34Å; Y166-L247 HydrophobicContact CE1-CB 4.13Å; Y166-L247 HydrophobicContact CE1-CD1 3.86Å; Y166-L247 HydrophobicContact CE2-CD1 4.33Å; Y166-L247 HydrophobicContact CG-CD1 4.14Å; P170-L247 HydrophobicContact CB-CD2 3.91Å; P170-L247 HydrophobicContact CG-CD2 3.78Å; W193-L247 HydrophobicContact CB-CB 4.12Å; W193-L247 HydrophobicContact CB-CD2 4.16Å; A195-L247 HydrophobicContact CB-CD1 3.87Å; A195-L247 HydrophobicContact CB-CD2 4.4Å; E240-L247 PolarHBondContact OE1-N 3.29Å; L247-P249 WeakPolarHBondContact O-CD 3.47Å
248Q98.6Very high97.9Very high62 Ų6246.1 Ų46.129%0.2926%0.256SS..EExtended strand (participates in β ladder)trans-94.1106.4169.9-59.4-177.130.800107.8F159 Y166 V167 G168 R246 S250F159-Q248 VanDerWaalsContact CD1-OE1 3.32Å; Y166-Q248 WeakPolarHBondContact O-CB 3.29Å; Y166-Q248 PolarHBondContact O-N 2.88Å; V167-Q248 WeakPolarHBondContact CA-O 3.26Å; V167-Q248 HydrophobicContact CB-CB 4.46Å; V167-Q248 WeakPolarHBondContact CG2-O 3.34Å; G168-Q248 PolarHBondContact N-O 2.88Å; R246-Q248 PolarHBondContact O-N 2.89Å; Q248-S250 PolarHBondContact O-N 3.41Å
249P98.4Very high97.7Very high96 Ų9650.1 Ų50.162%0.62328%0.28SS*.EExtended strand (participates in β ladder)trans-65.3134.1-177.4-21.334.8000110.8G168 P170 L247G168-P249 WeakPolarHBondContact O-CA 3.37Å; P170-P249 HydrophobicContact CG-CB 3.68Å; P170-P249 HydrophobicContact CG-CG 3.9Å; L247-P249 WeakPolarHBondContact O-CD 3.47Å
250S98.6Very high97.6Very high9 Ų950.1 Ų50.16%0.06328%0.28CS..  trans-126.7129.1170.7172.40000110.6G168 Q248 L252G168-S250 PolarHBondContact O-N 3.35Å; Q248-S250 PolarHBondContact O-N 3.41Å; S250-L252 PolarHBondContact O-N 2.98Å; S250-L252 PolarHBondContact OG-N 2.64Å
251P97.9Very high97.4Very high89 Ų8952.6 Ų52.658%0.57829%0.292SS*.THydrogen-bonded Turntrans-77.40.8176.934.9-36.8000112.8H254P251-H254 PolarHBondContact O-CE1 2.97Å; P251-H254 PolarHBondContact O-NE2 3.3Å
252L98.8Very high97.3Very high44 Ų4457.3 Ų57.323%0.2331%0.314CS..THydrogen-bonded Turntrans-90.6-5.9-176.4-52.7179.5000113.3L155 S250 V272 T273L155-L252 HydrophobicContact CD1-CD1 4.41Å; S250-L252 PolarHBondContact O-N 2.98Å; S250-L252 PolarHBondContact OG-N 2.64Å; L252-V272 HydrophobicContact CB-CB 4.06Å; L252-V272 HydrophobicContact CB-CG2 3.66Å; L252-V272 HydrophobicContact CD1-CG2 3.97Å; L252-V272 HydrophobicContact CG-CG2 4.48Å; L252-V272 WeakPolarHBondContact O-CB 3.44Å; L252-V272 PolarHBondContact O-N 3.05Å; L252-T273 PolarHBondContact O-N 2.68Å
253F98.8Very high97.2Very high2 Ų255.7 Ų55.71%0.00931%0.308CS..  trans-103.3132175.6-64-98000109.8L155 V167 R169 A199 G200 V272 T273L155-F253 HydrophobicContact CD2-CE2 3.4Å; L155-F253 VanDerWaalsContact CD2-CE2 3.4Å; L155-F253 HydrophobicContact CD2-CZ 3.71Å; V167-F253 HydrophobicContact CG2-CE2 4.08Å; R169-F253 HydrophobicContact CB-CB 4.06Å; A199-F253 HydrophobicContact CB-CB 4.25Å; G200-F253 VanDerWaalsContact O-CD1 3.31Å; G200-F253 WeakPolarHBondContact O-CD1 3.48Å; F253-V272 HydrophobicContact CD1-CG1 4.18Å; F253-V272 HydrophobicContact CE1-CB 4.39Å; F253-V272 HydrophobicContact CE1-CG1 3.64Å; F253-V272 HydrophobicContact CE2-CG1 4.41Å; F253-V272 HydrophobicContact CZ-CB 4.38Å; F253-V272 HydrophobicContact CZ-CG1 3.77Å; F253-T273 WeakPolarHBondContact CA-OG1 3.46Å; F253-T273 HydrophobicContact CD1-CG2 3.79Å; F253-T273 HydrophobicContact CE1-CG2 4.2Å
254H98.6Very high97.1Very high11 Ų1161.1 Ų61.15%0.05132%0.324CS..  trans-134.9127.5-172.6-60-82.4000112.4P251 E258 L260 Q271 T273 L274P251-H254 PolarHBondContact O-CE1 2.97Å; P251-H254 PolarHBondContact O-NE2 3.3Å; H254-E258 WeakPolarHBondContact CA-OE2 3.37Å; H254-L260 HydrophobicContact CB-CD2 3.83Å; H254-Q271 PolarHBondContact NE2-OE1 2.92Å; H254-T273 PolarHBondContact CD2-O 3.48Å; H254-T273 VanDerWaalsContact CD2-O 3.23Å; H254-T273 PolarHBondContact N-O 3.1Å; H254-T273 PolarHBondContact N-OG1 3.25Å; H254-T273 VanDerWaalsContact N-OG1 3.14Å; H254-L274 HydrophobicContact CB-CD2 4.22Å
255S98.1Very high96.9Very high1 Ų161.2 Ų61.21%0.00731%0.312CS..  trans-98.9155.4171.41770000111.2G198 L257 E258G198-S255 WeakPolarHBondContact O-CA 3.21Å; S255-L257 PolarHBondContact O-N 3.05Å; S255-L257 VanDerWaalsContact O-N 3.12Å; S255-L257 WeakPolarHBondContact OG-CG 3.43Å; S255-L257 PolarHBondContact OG-N 3.44Å; S255-L257 VanDerWaalsContact OG-N 3.1Å; S255-E258 PolarHBondContact N-OE2 2.76Å; S255-E258 WeakPolarHBondContact O-CB 3.28Å; S255-E258 PolarHBondContact O-N 2.9Å; S255-E258 VanDerWaalsContact O-N 3.17Å
256H96.9Very high96.8Very high35 Ų3564.1 Ų64.116%0.16233%0.334CS..THydrogen-bonded Turntrans-66.2-4.516767.8-101.7000113D144 E258 L260 S275 F279 N284D144-H256 IonicContact OD1-ND1 3.65Å; D144-H256 IonicContact OD2-CE1 3.81Å; D144-H256 IonicContact OD2-ND1 2.78Å; H256-E258 PolarHBondContact O-N 2.85Å; H256-L260 HydrophobicContact CB-CD1 4.42Å; H256-S275 VanDerWaalsContact N-CB 3.34Å; H256-S275 PolarHBondContact N-OG 2.99Å; H256-S275 PolarHBondContact ND1-OG 3.16Å; H256-F279 WeakPolarHBondContact O-CB 3.27Å; H256-F279 WeakPolarHBondContact O-CG 3.3Å; H256-N284 PolarHBondContact O-ND2 2.76Å
257L94.7Very high96.8Very high94 Ų9457.1 Ų57.149%0.49231%0.31SS..THydrogen-bonded Turntrans-80.57.7170.4-56.8179.7000113.3S255 F279S255-L257 PolarHBondContact O-N 3.05Å; S255-L257 VanDerWaalsContact O-N 3.12Å; S255-L257 WeakPolarHBondContact OG-CG 3.43Å; S255-L257 PolarHBondContact OG-N 3.44Å; S255-L257 VanDerWaalsContact OG-N 3.1Å; L257-F279 HydrophobicContact CB-CD2 4.42Å; L257-F279 HydrophobicContact CB-CE2 4.31Å; L257-F279 HydrophobicContact CD2-CD2 3.88Å; L257-F279 HydrophobicContact CD2-CE2 4.25Å; L257-F279 WeakPolarHBondContact O-CZ 3.35Å
258E93.4Very high96.8Very high37 Ų3756.5 Ų56.517%0.17331%0.306CS..SBendtrans-123.6158.2179.5-51.7-176.275.300110.4R169 H254 S255 H256 L260 N284R169-E258 IonicContact CZ-OE1 3.76Å; R169-E258 IonicContact NE-OE1 3.74Å; R169-E258 PolarHBondContact NE-OE1 2.62Å; R169-E258 VanDerWaalsContact NE-OE1 3.13Å; R169-E258 IonicContact NH1-OE1 3.42Å; R169-E258 PolarHBondContact NH1-OE1 2.81Å; R169-E258 IonicContact NH2-OE1 2.89Å; R169-E258 PolarHBondContact NH2-OE1 3.09Å; H254-E258 WeakPolarHBondContact CA-OE2 3.37Å; S255-E258 PolarHBondContact N-OE2 2.76Å; S255-E258 WeakPolarHBondContact O-CB 3.28Å; S255-E258 PolarHBondContact O-N 2.9Å; S255-E258 VanDerWaalsContact O-N 3.17Å; H256-E258 PolarHBondContact O-N 2.85Å; E258-L260 PolarHBondContact O-N 2.94Å; E258-N284 PolarHBondContact O-ND2 2.93Å
259T94.4Very high96.8Very high84 Ų8456.4 Ų56.452%0.51531%0.311SS..  trans-74.184.2178.9-45.60000112.2Q261 L262T259-Q261 HydrophobicContact CG2-CB 4.47Å; T259-Q261 PolarHBondContact O-N 3.15Å; T259-Q261 VanDerWaalsContact O-N 3.11Å; T259-L262 HydrophobicContact CG2-CD1 4.24Å; T259-L262 HydrophobicContact CG2-CG 3.86Å; T259-L262 WeakPolarHBondContact O-CB 3.46Å; T259-L262 WeakPolarHBondContact O-CG 3.25Å; T259-L262 PolarHBondContact O-N 2.77Å
260L97Very high96.7Very high2 Ų257.8 Ų57.81%0.0131%0.309CS..G310 helixtrans-61.5-22.8-175.9-66177000113.7H254 H256 E258 L262 L263 S275 N284 V285 I286H254-L260 HydrophobicContact CB-CD2 3.83Å; H256-L260 HydrophobicContact CB-CD1 4.42Å; E258-L260 PolarHBondContact O-N 2.94Å; L260-L262 PolarHBondContact O-N 3.05Å; L260-L263 HydrophobicContact CD2-CD1 4.19Å; L260-L263 WeakPolarHBondContact O-CB 3.39Å; L260-L263 PolarHBondContact O-N 3.45Å; L260-L263 VanDerWaalsContact O-N 3.13Å; L260-S275 WeakPolarHBondContact CD1-O 3.21Å; L260-N284 PolarHBondContact N-OD1 3.42Å; L260-V285 VanDerWaalsContact CB-O 3.29Å; L260-V285 WeakPolarHBondContact CB-O 3.42Å; L260-I286 HydrophobicContact CB-CG2 4.45Å
261Q94.9Very high96.8Very high86 Ų8658 Ų5840%0.40231%0.309SS..G310 helixtrans-64.8-15.7174.7-65.5-67.5-41.800113.7T259 L263 V285T259-Q261 HydrophobicContact CG2-CB 4.47Å; T259-Q261 PolarHBondContact O-N 3.15Å; T259-Q261 VanDerWaalsContact O-N 3.11Å; Q261-L263 VanDerWaalsContact C-N 3.3Å; Q261-V285 PolarHBondContact NE2-O 3.41Å
262L96Very high96.8Very high134 Ų13453.8 Ų53.870%0.70228%0.282SS*.G310 helixtrans-75.8-18.7174.8-62179.1000112.7T259 L260 R264T259-L262 HydrophobicContact CG2-CD1 4.24Å; T259-L262 HydrophobicContact CG2-CG 3.86Å; T259-L262 WeakPolarHBondContact O-CB 3.46Å; T259-L262 WeakPolarHBondContact O-CG 3.25Å; T259-L262 PolarHBondContact O-N 2.77Å; L260-L262 PolarHBondContact O-N 3.05Å; L262-R264 PolarHBondContact O-N 2.9Å
263L96.7Very high96.8Very high21 Ų2151.9 Ų51.911%0.1127%0.272CS..SBendtrans-71.7118.5176.8-62.2174.4000109.8L260 Q261 L268 L274 I286L260-L263 HydrophobicContact CD2-CD1 4.19Å; L260-L263 WeakPolarHBondContact O-CB 3.39Å; L260-L263 PolarHBondContact O-N 3.45Å; L260-L263 VanDerWaalsContact O-N 3.13Å; Q261-L263 VanDerWaalsContact C-N 3.3Å; L263-L268 HydrophobicContact CB-CD2 4.15Å; L263-L274 HydrophobicContact CD1-CD2 3.43Å; L263-L274 VanDerWaalsContact CD1-CD2 3.43Å; L263-I286 HydrophobicContact CD1-CG2 4.32Å
264R95.4Very high96.8Very high171 Ų17152 Ų5265%0.64527%0.273SS*.  trans-74.2145.5176.5-60.8178.8-69.4169.8-1.4109.5L262 A266 Q267 L268L262-R264 PolarHBondContact O-N 2.9Å; R264-A266 PolarHBondContact O-N 3.31Å; R264-A266 VanDerWaalsContact O-N 3.11Å; R264-Q267 HydrophobicContact CB-CG 4.27Å; R264-Q267 VanDerWaalsContact CB-OE1 3.31Å; R264-Q267 VanDerWaalsContact NE-OE1 3.08Å; R264-Q267 WeakPolarHBondContact O-CB 3.33Å; R264-Q267 PolarHBondContact O-N 3.15Å; R264-L268 PolarHBondContact O-N 2.87Å
265T94.5Very high96.8Very high65 Ų6551.5 Ų51.540%0.39927%0.271SS..G310 helixtrans-52.1-38.7178.9-51.80000113Q267 L268 K287 L288 L307T265-Q267 PolarHBondContact O-N 2.93Å; T265-L268 HydrophobicContact CG2-CD1 4.35Å; T265-L268 PolarHBondContact O-N 3.49Å; T265-K287 PolarHBondContact OG1-O 3.39Å; T265-L288 HydrophobicContact CG2-CD1 3.64Å; T265-L307 HydrophobicContact CG2-CD2 4.44Å
266A95.8Very high96.8Very high85 Ų8552.8 Ų52.870%0.70228%0.276SS*.G310 helixtrans-64.2-22.4177.500000114.2R264R264-A266 PolarHBondContact O-N 3.31Å; R264-A266 VanDerWaalsContact O-N 3.11Å
267Q96.8Very high96.8Very high57 Ų5751.6 Ų51.627%0.26627%0.272SS..G310 helixtrans-89.5-21-179.8-61.4174.2-77.700112.1R264 T265 P269 E270 Q271R264-Q267 HydrophobicContact CB-CG 4.27Å; R264-Q267 VanDerWaalsContact CB-OE1 3.31Å; R264-Q267 VanDerWaalsContact NE-OE1 3.08Å; R264-Q267 WeakPolarHBondContact O-CB 3.33Å; R264-Q267 PolarHBondContact O-N 3.15Å; T265-Q267 PolarHBondContact O-N 2.93Å; Q267-P269 VanDerWaalsContact C-CD 3.43Å; Q267-P269 VanDerWaalsContact C-N 3.32Å; Q267-E270 WeakPolarHBondContact O-CB 3.44Å; Q267-E270 PolarHBondContact O-N 3.44Å; Q267-Q271 WeakPolarHBondContact O-CG 3.49Å; Q267-Q271 PolarHBondContact O-NE2 3.07Å
268L98Very high96.9Very high1 Ų151.9 Ų51.91%0.00528%0.278CS..G310 helixtrans-53.7-40.4-175.5-61.3174.3000113.6L263 R264 T265 E270 Q271 L274 I286 L288 L304 L307L263-L268 HydrophobicContact CB-CD2 4.15Å; R264-L268 PolarHBondContact O-N 2.87Å; T265-L268 HydrophobicContact CG2-CD1 4.35Å; T265-L268 PolarHBondContact O-N 3.49Å; L268-E270 PolarHBondContact O-N 3.03Å; L268-Q271 PolarHBondContact O-N 3.34Å; L268-L274 HydrophobicContact CD2-CD1 3.95Å; L268-L274 HydrophobicContact CD2-CD2 4.43Å; L268-I286 HydrophobicContact CD1-CD1 4.09Å; L268-I286 HydrophobicContact CD2-CB 4.14Å; L268-I286 HydrophobicContact CD2-CD1 4.25Å; L268-I286 HydrophobicContact CD2-CG2 3.97Å; L268-L288 HydrophobicContact CD1-CD1 4.14Å; L268-L304 HydrophobicContact CB-CD1 4.06Å; L268-L304 HydrophobicContact CD1-CD1 4.41Å; L268-L307 HydrophobicContact CB-CD2 4.38Å; L268-L307 HydrophobicContact CD1-CD2 4.28Å
269P98.3Very high96.7Very high60 Ų6053 Ų5339%0.3928%0.282SS..G310 helixtrans-65.7-16.5178.3-22.635.8000115.5N148 Q267 L308N148-P269 PolarHBondContact ND2-O 2.89Å; Q267-P269 VanDerWaalsContact C-CD 3.43Å; Q267-P269 VanDerWaalsContact C-N 3.32Å; P269-L308 HydrophobicContact CB-CD2 3.88Å; P269-L308 HydrophobicContact CG-CD2 4.18Å
270E98.2Very high96.5Very high125 Ų12557 Ų5758%0.58430%0.295SS*.G310 helixtrans-94.3-14.1-179.9-59.3175.7174.400112.5Q267 L268Q267-E270 WeakPolarHBondContact O-CB 3.44Å; Q267-E270 PolarHBondContact O-N 3.44Å; L268-E270 PolarHBondContact O-N 3.03Å
271Q98.8Very high96.2Very high14 Ų1460.3 Ų60.37%0.06533%0.33CS..  trans-76.1140.9-178.1-50.5-43.5-60.200110.2N148 A151 H254 Q267 L268 L274N148-Q271 WeakPolarHBondContact CB-O 3.5Å; N148-Q271 PolarHBondContact ND2-O 3.36Å; A151-Q271 WeakPolarHBondContact CB-O 3.43Å; H254-Q271 PolarHBondContact NE2-OE1 2.92Å; Q267-Q271 WeakPolarHBondContact O-CG 3.49Å; Q267-Q271 PolarHBondContact O-NE2 3.07Å; L268-Q271 PolarHBondContact O-N 3.34Å; Q271-L274 HydrophobicContact CB-CD2 4.16Å; Q271-L274 HydrophobicContact CB-CG 4.25Å; Q271-L274 HydrophobicContact CG-CD2 4.26Å
272V98.9Very high96.1Very high1 Ų164 Ų641%0.00634%0.344CS..SBendtrans-81.1-48.4-180172.60000110.3N148 A151 L152 L155 L252 F253N148-V272 PolarHBondContact N-O 3.1Å; A151-V272 HydrophobicContact CB-CG2 4.09Å; L152-V272 HydrophobicContact CB-CG1 3.98Å; L152-V272 HydrophobicContact CD1-CG1 3.67Å; L152-V272 HydrophobicContact CG-CG1 4.41Å; L155-V272 HydrophobicContact CB-CG2 4.23Å; L155-V272 HydrophobicContact CD2-CG2 3.95Å; L252-V272 HydrophobicContact CB-CB 4.06Å; L252-V272 HydrophobicContact CB-CG2 3.66Å; L252-V272 HydrophobicContact CD1-CG2 3.97Å; L252-V272 HydrophobicContact CG-CG2 4.48Å; L252-V272 WeakPolarHBondContact O-CB 3.44Å; L252-V272 PolarHBondContact O-N 3.05Å; F253-V272 HydrophobicContact CD1-CG1 4.18Å; F253-V272 HydrophobicContact CE1-CB 4.39Å; F253-V272 HydrophobicContact CE1-CG1 3.64Å; F253-V272 HydrophobicContact CE2-CG1 4.41Å; F253-V272 HydrophobicContact CZ-CB 4.38Å; F253-V272 HydrophobicContact CZ-CG1 3.77Å
273T98.9Very high96.1Very high3 Ų362.4 Ų62.42%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-128.1148.5174.561.70000111.5V141 Y146 V147 A199 L252 F253 H254V141-T273 HydrophobicContact CG1-CG2 4.13Å; Y146-T273 CarbonylContact O-C 3.48Å; Y146-T273 VanDerWaalsContact O-CA 3.23Å; Y146-T273 WeakPolarHBondContact O-CA 3.49Å; V147-T273 HydrophobicContact CG2-CG2 4.45Å; A199-T273 WeakPolarHBondContact O-CB 3.48Å; A199-T273 PolarHBondContact O-OG1 3.21Å; L252-T273 PolarHBondContact O-N 2.68Å; F253-T273 WeakPolarHBondContact CA-OG1 3.46Å; F253-T273 HydrophobicContact CD1-CG2 3.79Å; F253-T273 HydrophobicContact CE1-CG2 4.2Å; H254-T273 PolarHBondContact CD2-O 3.48Å; H254-T273 VanDerWaalsContact CD2-O 3.23Å; H254-T273 PolarHBondContact N-O 3.1Å; H254-T273 PolarHBondContact N-OG1 3.25Å; H254-T273 VanDerWaalsContact N-OG1 3.14Å
274L98.8Very high96.2Very high5 Ų562 Ų623%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-129.8164.8167.1-67.4167.2000108.2N145 Y146 H254 L263 L268 Q271 I286 L304N145-L274 CarbonylContact C-O 3.59Å; N145-L274 VanDerWaalsContact CA-O 3.23Å; N145-L274 WeakPolarHBondContact CA-O 3.24Å; N145-L274 PolarHBondContact ND2-O 3.34Å; Y146-L274 PolarHBondContact N-O 2.81Å; Y146-L274 PolarHBondContact O-N 3.42Å; H254-L274 HydrophobicContact CB-CD2 4.22Å; L263-L274 HydrophobicContact CD1-CD2 3.43Å; L263-L274 VanDerWaalsContact CD1-CD2 3.43Å; L268-L274 HydrophobicContact CD2-CD1 3.95Å; L268-L274 HydrophobicContact CD2-CD2 4.43Å; Q271-L274 HydrophobicContact CB-CD2 4.16Å; Q271-L274 HydrophobicContact CB-CG 4.25Å; Q271-L274 HydrophobicContact CG-CD2 4.26Å; L274-I286 HydrophobicContact CB-CG2 4.46Å; L274-I286 HydrophobicContact CD1-CD1 4.33Å; L274-I286 HydrophobicContact CD1-CG2 4.13Å; L274-I286 HydrophobicContact CD2-CG2 3.79Å; L274-I286 HydrophobicContact CG-CG2 4.34Å; L274-L304 HydrophobicContact CD1-CD1 4.11Å; L274-L304 HydrophobicContact CD1-CD2 3.46Å; L274-L304 VanDerWaalsContact CD1-CD2 3.46Å; L274-L304 HydrophobicContact CD1-CG 4.43Å
275S98.7Very high96.3Very high0 Ų054.6 Ų54.60%031%0.308CS..EExtended strand (participates in β ladder)trans-138.3171.4-179.5-173.90000110.6D144 N145 H256 L260D144-S275 VanDerWaalsContact O-CA 3.31Å; D144-S275 WeakPolarHBondContact O-CA 3.35Å; D144-S275 PolarHBondContact O-OG 2.82Å; D144-S275 PolarHBondContact OD1-OG 2.84Å; N145-S275 WeakPolarHBondContact ND2-CB 3.28Å; H256-S275 VanDerWaalsContact N-CB 3.34Å; H256-S275 PolarHBondContact N-OG 2.99Å; H256-S275 PolarHBondContact ND1-OG 3.16Å; L260-S275 WeakPolarHBondContact CD1-O 3.21Å
276Y98.5Very high96.5Very high29 Ų2951.6 Ų51.611%0.11429%0.289CS..  trans-141.4151.316369.5-79.9000109.3L73 D144 N284 S299 F301L73-Y276 HydrophobicContact CD2-CE1 4.45Å; D144-Y276 HydrophobicContact CB-CD1 4.12Å; D144-Y276 HydrophobicContact CB-CE1 3.79Å; D144-Y276 WeakPolarHBondContact O-CD1 3.42Å; D144-Y276 PolarHBondContact O-N 2.84Å; Y276-N284 WeakPolarHBondContact CA-O 3.05Å; Y276-S299 VanDerWaalsContact CD1-CB 3.42Å; Y276-F301 HydrophobicContact CD1-CD1 4.41Å; Y276-F301 HydrophobicContact CD1-CD2 4.12Å; Y276-F301 AromaticContact CD1-CE1 3.9Å; Y276-F301 HydrophobicContact CD1-CE1 3.9Å; Y276-F301 AromaticContact CD1-CE2 3.57Å; Y276-F301 HydrophobicContact CD1-CE2 3.57Å; Y276-F301 AromaticContact CD1-CZ 3.46Å; Y276-F301 HydrophobicContact CD1-CZ 3.46Å; Y276-F301 VanDerWaalsContact CD1-CZ 3.46Å; Y276-F301 HydrophobicContact CE1-CD2 4.02Å; Y276-F301 AromaticContact CE1-CE2 3.6Å; Y276-F301 HydrophobicContact CE1-CE2 3.6Å; Y276-F301 HydrophobicContact CE1-CZ 4Å
277G97.2Very high96.5Very high9 Ų953.2 Ų53.29%0.09328%0.28CS..EExtended strand (participates in β ladder)trans171.2178.417900000112.2N284G277-N284 PolarHBondContact N-O 3.42Å; G277-N284 VanDerWaalsContact N-O 3.14Å; G277-N284 PolarHBondContact O-N 3.44Å
278V95.2Very high96.4Very high101 Ų10151.4 Ų51.461%0.61227%0.273SS*.EExtended strand (participates in β ladder)trans-87.9125.6174.4177.70000108.8K282V278-K282 CarbonylContact C-O 3.54Å; V278-K282 WeakPolarHBondContact CA-O 3.47Å
279F90.3Very high96.2Very high60 Ų6059.5 Ų59.526%0.26331%0.31SS..EExtended strand (participates in β ladder)trans-132.5129.4174.2-175.6-116.3000109.4H256 L257 G281 K282 N284H256-F279 WeakPolarHBondContact O-CB 3.27Å; H256-F279 WeakPolarHBondContact O-CG 3.3Å; L257-F279 HydrophobicContact CB-CD2 4.42Å; L257-F279 HydrophobicContact CB-CE2 4.31Å; L257-F279 HydrophobicContact CD2-CD2 3.88Å; L257-F279 HydrophobicContact CD2-CE2 4.25Å; L257-F279 WeakPolarHBondContact O-CZ 3.35Å; F279-G281 PolarHBondContact O-N 3.36Å; F279-G281 VanDerWaalsContact O-N 3.14Å; F279-K282 PolarHBondContact N-O 3.16Å; F279-K282 PolarHBondContact O-N 2.91Å; F279-K282 VanDerWaalsContact O-O 3.1Å; F279-N284 HydrophobicContact CB-CB 3.97Å
280E90.4Very high95.9Very high168 Ų16857.8 Ų57.879%0.78530%0.303SS*.THydrogen-bonded Turntrans49.938.9-175.2-59-173.8153.900113.4K282E280-K282 VanDerWaalsContact C-N 3.27Å; E280-K282 PolarHBondContact O-N 3.46Å
281G89.9Confident95.8Very high71 Ų7154.4 Ų54.473%0.73229%0.292SS*.THydrogen-bonded Turntrans766.1178.200000115.2F279F279-G281 PolarHBondContact O-N 3.36Å; F279-G281 VanDerWaalsContact O-N 3.14Å
282K93Very high95.7Very high163 Ų16355.1 Ų55.171%0.70930%0.295SS*.EExtended strand (participates in β ladder)trans-119.7145.7177.3-63.4-177-176.8175.20111V278 F279 E280 N284V278-K282 CarbonylContact C-O 3.54Å; V278-K282 WeakPolarHBondContact CA-O 3.47Å; F279-K282 PolarHBondContact N-O 3.16Å; F279-K282 PolarHBondContact O-N 2.91Å; F279-K282 VanDerWaalsContact O-O 3.1Å; E280-K282 VanDerWaalsContact C-N 3.27Å; E280-K282 PolarHBondContact O-N 3.46Å; K282-N284 PolarHBondContact O-N 2.79Å
283L95.8Very high95.6Very high101 Ų10157 Ų5753%0.52931%0.308SS..EExtended strand (participates in β ladder)trans-63.7119.7168.7179.562.9000108.6V285L283-V285 HydrophobicContact CD1-CG1 4.13Å; L283-V285 HydrophobicContact CD2-CG1 4.44Å; L283-V285 HydrophobicContact CG-CG1 4.02Å
284N98Very high95.5Very high13 Ų1360.6 Ų60.67%0.0733%0.332CS..EExtended strand (participates in β ladder)trans-110.5119.4-179.3-17830.6000109.3H256 E258 L260 Y276 G277 F279 K282H256-N284 PolarHBondContact O-ND2 2.76Å; E258-N284 PolarHBondContact O-ND2 2.93Å; L260-N284 PolarHBondContact N-OD1 3.42Å; Y276-N284 WeakPolarHBondContact CA-O 3.05Å; G277-N284 PolarHBondContact N-O 3.42Å; G277-N284 VanDerWaalsContact N-O 3.14Å; G277-N284 PolarHBondContact O-N 3.44Å; F279-N284 HydrophobicContact CB-CB 3.97Å; K282-N284 PolarHBondContact O-N 2.79Å
285V98Very high95.4Very high16 Ų1667.6 Ų67.610%0.09736%0.364CS..  trans-143.8169.8-174.9-68.30000109.4L260 Q261 L283 P298 R300L260-V285 VanDerWaalsContact CB-O 3.29Å; L260-V285 WeakPolarHBondContact CB-O 3.42Å; Q261-V285 PolarHBondContact NE2-O 3.41Å; L283-V285 HydrophobicContact CD1-CG1 4.13Å; L283-V285 HydrophobicContact CD2-CG1 4.44Å; L283-V285 HydrophobicContact CG-CG1 4.02Å; V285-P298 WeakPolarHBondContact CG1-O 3.46Å; V285-R300 HydrophobicContact CB-CG 3.88Å; V285-R300 HydrophobicContact CG1-CG 4.45Å; V285-R300 HydrophobicContact CG2-CG 3.91Å
286I98.1Very high95.3Very high1 Ų173.7 Ų73.71%0.00539%0.393CS..  trans-68.8156.1170.256.8170.4000112.2L260 L263 L268 L274 L288 R300 L304L260-I286 HydrophobicContact CB-CG2 4.45Å; L263-I286 HydrophobicContact CD1-CG2 4.32Å; L268-I286 HydrophobicContact CD1-CD1 4.09Å; L268-I286 HydrophobicContact CD2-CB 4.14Å; L268-I286 HydrophobicContact CD2-CD1 4.25Å; L268-I286 HydrophobicContact CD2-CG2 3.97Å; L274-I286 HydrophobicContact CB-CG2 4.46Å; L274-I286 HydrophobicContact CD1-CD1 4.33Å; L274-I286 HydrophobicContact CD1-CG2 4.13Å; L274-I286 HydrophobicContact CD2-CG2 3.79Å; L274-I286 HydrophobicContact CG-CG2 4.34Å; I286-L288 HydrophobicContact CD1-CB 4.41Å; I286-L288 HydrophobicContact CD1-CD2 4.47Å; I286-L288 PolarHBondContact O-N 3.36Å; I286-R300 HydrophobicContact CD1-CB 4.12Å; I286-R300 HydrophobicContact CG1-CB 3.68Å; I286-R300 HydrophobicContact CG1-CG 4.24Å; I286-L304 HydrophobicContact CD1-CB 4.02Å; I286-L304 HydrophobicContact CD1-CD1 4.24Å; I286-L304 HydrophobicContact CD1-CD2 4.24Å; I286-L304 HydrophobicContact CD1-CG 4.4Å
287K96.4Very high95.3Very high119 Ų11972.4 Ų72.452%0.51739%0.388SS..  trans-86.598.6173.9-168.4174.4-179.5176.50111.1T265T265-K287 PolarHBondContact OG1-O 3.39Å
288L95.6Very high95.3Very high20 Ų2075.5 Ų75.511%0.10541%0.406CS..  trans-141.6126.3176.8-167.163.5000110.6T265 L268 I286 S303 L304 L307T265-L288 HydrophobicContact CG2-CD1 3.64Å; L268-L288 HydrophobicContact CD1-CD1 4.14Å; I286-L288 HydrophobicContact CD1-CB 4.41Å; I286-L288 HydrophobicContact CD1-CD2 4.47Å; I286-L288 PolarHBondContact O-N 3.36Å; L288-S303 VanDerWaalsContact CD2-C 3.45Å; L288-L304 HydrophobicContact CD2-CB 4.31Å; L288-L307 HydrophobicContact CD1-CD2 4.18Å
289Q92.7Very high95.5Very high171 Ų17170.9 Ų70.980%0.79938%0.379SS*.  trans-73.8-28.3-172.2-71.8-66.4-5.200113.8
290G92.3Very high95.8Very high23 Ų2368.6 Ų68.624%0.23737%0.368CS..  trans-179.6-168.9-176.700000111.4S303G290-S303 WeakPolarHBondContact O-CB 3.32Å
291P95.8Very high96.2Very high54 Ų5460.6 Ų60.635%0.35133%0.331SS..SBendcis-78-10.119.327.7-38.5000117.6C306 P316P291-C306 HydrophobicContact CG-CB 3.66Å; P291-P316 HydrophobicContact CB-CB 4.02Å; P291-P316 HydrophobicContact CB-CG 3.91Å; P291-P316 HydrophobicContact CG-CG 4.26Å
292F97.4Very high96.7Very high29 Ų2960.7 Ų60.713%0.12731%0.309CS..SBendtrans-99147-178-63-85.6000113.1E296 D297 R300 R302 S303 W314 P316F292-E296 HydrophobicContact CB-CB 4.27Å; F292-E296 HydrophobicContact CD1-CB 4.41Å; F292-D297 HydrophobicContact CB-CB 3.59Å; F292-D297 HydrophobicContact CG-CB 4.24Å; F292-R300 PolarHBondContact O-NH1 2.96Å; F292-R300 PolarHBondContact O-NH2 2.62Å; F292-R302 HydrophobicContact CD2-CB 3.73Å; F292-R302 HydrophobicContact CE2-CB 3.75Å; F292-R302 HydrophobicContact CG-CB 4.45Å; F292-R302 HydrophobicContact CZ-CB 4.47Å; F292-S303 PolarHBondContact N-OG 2.69Å; F292-W314 HydrophobicContact CE2-CE3 4.29Å; F292-W314 AromaticContact CE2-CZ3 3.82Å; F292-W314 HydrophobicContact CE2-CZ3 3.82Å; F292-W314 AromaticContact CZ-CE3 3.92Å; F292-W314 HydrophobicContact CZ-CE3 3.92Å; F292-W314 AromaticContact CZ-CZ3 3.9Å; F292-W314 HydrophobicContact CZ-CZ3 3.9Å; F292-P316 HydrophobicContact CD1-CG 4.45Å; F292-P316 HydrophobicContact CE1-CG 3.89Å; F292-P316 HydrophobicContact CE2-CG 4.25Å; F292-P316 HydrophobicContact CZ-CG 3.79Å
293S97.1Very high96.9Very high41 Ų4153 Ų5329%0.28728%0.276SS..  trans-68.1154174.790.30000111.2E295 E296 D297 R300S293-E295 WeakPolarHBondContact CB-OE2 3.25Å; S293-E295 PolarHBondContact O-N 2.64Å; S293-E295 VanDerWaalsContact O-N 3.12Å; S293-E295 PolarHBondContact OG-N 3.36Å; S293-E295 PolarHBondContact OG-OE2 3.33Å; S293-E296 PolarHBondContact N-OE2 3.33Å; S293-E296 PolarHBondContact O-N 2.86Å; S293-E296 PolarHBondContact OG-N 3.3Å; S293-D297 PolarHBondContact O-N 3.39Å; S293-R300 PolarHBondContact O-NH2 2.87Å
294P96.4Very high97.1Very high79 Ų7948.2 Ų48.251%0.51325%0.251SS..THydrogen-bonded Turntrans-49.8-31.1175.1-30.238.6000114.9P298P294-P298 WeakPolarHBondContact O-CA 3.06Å
295E96.6Very high97.1Very high152 Ų15247.6 Ų47.671%0.7125%0.247SC*.THydrogen-bonded Turntrans-73.2-37.6178.7-57.170.5-149.500111.9S293S293-E295 WeakPolarHBondContact CB-OE2 3.25Å; S293-E295 PolarHBondContact O-N 2.64Å; S293-E295 VanDerWaalsContact O-N 3.12Å; S293-E295 PolarHBondContact OG-N 3.36Å; S293-E295 PolarHBondContact OG-OE2 3.33Å
296E96.9Very high97.1Very high127 Ų12747.3 Ų47.359%0.59325%0.246SC*.THydrogen-bonded Turntrans-79.6-29.7179.6-66177.413700113.1F292 S293F292-E296 HydrophobicContact CB-CB 4.27Å; F292-E296 HydrophobicContact CD1-CB 4.41Å; S293-E296 PolarHBondContact N-OE2 3.33Å; S293-E296 PolarHBondContact O-N 2.86Å; S293-E296 PolarHBondContact OG-N 3.3Å
297D97.9Very high97Very high2 Ų250.9 Ų50.91%0.01127%0.265CS..  trans-138.362.4-174.6172.837.4000111.4F292 S293 S299 R300 F301 R302 S303F292-D297 HydrophobicContact CB-CB 3.59Å; F292-D297 HydrophobicContact CG-CB 4.24Å; S293-D297 PolarHBondContact O-N 3.39Å; D297-S299 PolarHBondContact O-N 3.41Å; D297-S299 PolarHBondContact OD1-OG 2.9Å; D297-R300 VanDerWaalsContact CB-NH2 3.29Å; D297-R300 WeakPolarHBondContact O-CA 3.36Å; D297-R300 PolarHBondContact O-N 3.46Å; D297-R300 PolarHBondContact O-NE 3.19Å; D297-R300 PolarHBondContact O-NH2 3.22Å; D297-R300 PolarHBondContact OD1-N 3.04Å; D297-R300 WeakPolarHBondContact OD2-CA 3.24Å; D297-R300 IonicContact OD2-NH2 2.81Å; D297-F301 PolarHBondContact OD1-N 2.74Å; D297-R302 HydrophobicContact CB-CB 4.16Å; D297-R302 PolarHBondContact OD1-N 3.38Å; D297-R302 PolarHBondContact OD2-N 2.63Å; D297-S303 WeakPolarHBondContact OD2-CB 3.22Å; D297-S303 PolarHBondContact OD2-N 3.19Å; D297-S303 PolarHBondContact OD2-OG 3.48Å
298P97.5Very high97.1Very high74 Ų7447 Ų4748%0.48125%0.25SC..THydrogen-bonded Turntrans-57.8-27.1-170.821.3-33.8000114V285 P294V285-P298 WeakPolarHBondContact CG1-O 3.46Å; P294-P298 WeakPolarHBondContact O-CA 3.06Å
299S98.3Very high97.2Very high5 Ų548 Ų484%0.03525%0.252CS..THydrogen-bonded Turntrans-78.4-17.3174.959.60000114.3L73 Y276 D297 F301L73-S299 VanDerWaalsContact CD2-OG 3.3Å; L73-S299 WeakPolarHBondContact CD2-OG 3.39Å; Y276-S299 VanDerWaalsContact CD1-CB 3.42Å; D297-S299 PolarHBondContact O-N 3.41Å; D297-S299 PolarHBondContact OD1-OG 2.9Å; S299-F301 PolarHBondContact O-N 3.42Å; S299-F301 PolarHBondContact OG-N 2.04Å
300R98.5Very high97.4Very high12 Ų1244.6 Ų44.65%0.04525%0.245CC..SBendtrans68.38.5-169.6-48.4-74.976.6-165.2-5.3114.3V285 I286 F292 S293 D297 S303 L304V285-R300 HydrophobicContact CB-CG 3.88Å; V285-R300 HydrophobicContact CG1-CG 4.45Å; V285-R300 HydrophobicContact CG2-CG 3.91Å; I286-R300 HydrophobicContact CD1-CB 4.12Å; I286-R300 HydrophobicContact CG1-CB 3.68Å; I286-R300 HydrophobicContact CG1-CG 4.24Å; F292-R300 PolarHBondContact O-NH1 2.96Å; F292-R300 PolarHBondContact O-NH2 2.62Å; S293-R300 PolarHBondContact O-NH2 2.87Å; D297-R300 VanDerWaalsContact CB-NH2 3.29Å; D297-R300 WeakPolarHBondContact O-CA 3.36Å; D297-R300 PolarHBondContact O-N 3.46Å; D297-R300 PolarHBondContact O-NE 3.19Å; D297-R300 PolarHBondContact O-NH2 3.22Å; D297-R300 PolarHBondContact OD1-N 3.04Å; D297-R300 WeakPolarHBondContact OD2-CA 3.24Å; D297-R300 IonicContact OD2-NH2 2.81Å; R300-S303 PolarHBondContact O-N 3.4Å; R300-L304 WeakPolarHBondContact O-CB 3.35Å; R300-L304 PolarHBondContact O-N 2.87Å
301F98.7Very high97.5Very high0 Ų048.8 Ų48.80%026%0.262CS..Hα-helixtrans-74.3-34.8-175.9-78.57.5000113L73 L74 D144 N145 Y146 Y276 D297 S299 S303 H305L73-F301 HydrophobicContact CD1-CB 4.27Å; L73-F301 HydrophobicContact CD2-CB 4.12Å; L73-F301 HydrophobicContact CD2-CD2 4.03Å; L73-F301 HydrophobicContact CD2-CG 4.43Å; L73-F301 HydrophobicContact CG-CB 4.37Å; L74-F301 HydrophobicContact CD2-CD2 3.91Å; L74-F301 HydrophobicContact CD2-CE2 3.9Å; D144-F301 VanDerWaalsContact O-CZ 3.28Å; D144-F301 WeakPolarHBondContact O-CZ 3.06Å; N145-F301 VanDerWaalsContact C-CE2 3.44Å; Y146-F301 VanDerWaalsContact CB-CZ 3.49Å; Y146-F301 HydrophobicContact CD2-CB 3.97Å; Y146-F301 HydrophobicContact CD2-CD1 4.19Å; Y146-F301 HydrophobicContact CD2-CD2 4.02Å; Y146-F301 AromaticContact CD2-CG 3.81Å; Y146-F301 HydrophobicContact CD2-CG 3.81Å; Y146-F301 HydrophobicContact CG-CD1 4.5Å; Y146-F301 HydrophobicContact CG-CG 4.47Å; Y146-F301 VanDerWaalsContact N-CZ 3.29Å; Y276-F301 HydrophobicContact CD1-CD1 4.41Å; Y276-F301 HydrophobicContact CD1-CD2 4.12Å; Y276-F301 AromaticContact CD1-CE1 3.9Å; Y276-F301 HydrophobicContact CD1-CE1 3.9Å; Y276-F301 AromaticContact CD1-CE2 3.57Å; Y276-F301 HydrophobicContact CD1-CE2 3.57Å; Y276-F301 AromaticContact CD1-CZ 3.46Å; Y276-F301 HydrophobicContact CD1-CZ 3.46Å; Y276-F301 VanDerWaalsContact CD1-CZ 3.46Å; Y276-F301 HydrophobicContact CE1-CD2 4.02Å; Y276-F301 AromaticContact CE1-CE2 3.6Å; Y276-F301 HydrophobicContact CE1-CE2 3.6Å; Y276-F301 HydrophobicContact CE1-CZ 4Å; D297-F301 PolarHBondContact OD1-N 2.74Å; S299-F301 PolarHBondContact O-N 3.42Å; S299-F301 PolarHBondContact OG-N 2.04Å; F301-S303 VanDerWaalsContact C-N 3.32Å; F301-H305 VanDerWaalsContact O-CB 3.29Å; F301-H305 WeakPolarHBondContact O-CB 3.47Å; F301-H305 PolarHBondContact O-N 3.33Å
302R98.6Very high97.6Very high73 Ų7346.6 Ų46.628%0.27525%0.248SC..Hα-helixtrans-65.6-42.6173.9-62.1-179.5176.5-95.6-6110L73 D76 T77 F292 D297 H305 C306 W314L73-R302 HydrophobicContact CD1-CG 3.69Å; D76-R302 IonicContact OD2-NH2 3.72Å; T77-R302 HydrophobicContact CG2-CG 4.39Å; F292-R302 HydrophobicContact CD2-CB 3.73Å; F292-R302 HydrophobicContact CE2-CB 3.75Å; F292-R302 HydrophobicContact CG-CB 4.45Å; F292-R302 HydrophobicContact CZ-CB 4.47Å; D297-R302 HydrophobicContact CB-CB 4.16Å; D297-R302 PolarHBondContact OD1-N 3.38Å; D297-R302 PolarHBondContact OD2-N 2.63Å; R302-H305 WeakPolarHBondContact O-CB 3.35Å; R302-H305 PolarHBondContact O-N 2.84Å; R302-C306 PolarHBondContact O-N 3.41Å; R302-C306 PolarHBondContact O-SG 3.11Å; R302-C306 VanDerWaalsContact O-SG 3.34Å; R302-W314 HydrophobicContact CB-CH2 4.25Å; R302-W314 HydrophobicContact CB-CZ3 4.04Å; R302-W314 HydrophobicContact CG-CZ3 4.48Å
303S98.5Very high97.5Very high0 Ų051.5 Ų51.50%028%0.282CS..Hα-helixtrans-63.1-46.1178-61.80000111.8L288 G290 F292 D297 R300 F301 H305 C306 L307L288-S303 VanDerWaalsContact CD2-C 3.45Å; G290-S303 WeakPolarHBondContact O-CB 3.32Å; F292-S303 PolarHBondContact N-OG 2.69Å; D297-S303 WeakPolarHBondContact OD2-CB 3.22Å; D297-S303 PolarHBondContact OD2-N 3.19Å; D297-S303 PolarHBondContact OD2-OG 3.48Å; R300-S303 PolarHBondContact O-N 3.4Å; F301-S303 VanDerWaalsContact C-N 3.32Å; S303-H305 VanDerWaalsContact C-N 3.33Å; S303-H305 PolarHBondContact O-N 2.77Å; S303-C306 PolarHBondContact O-N 3.43Å; S303-L307 PolarHBondContact O-N 2.76Å
304L98.7Very high97.4Very high1 Ų154 Ų541%0.00529%0.285CS..Hα-helixtrans-60.5-43.1173.8176.466.1000111.4Y146 L268 L274 I286 L288 R300 C306 L307 L308Y146-L304 HydrophobicContact CD1-CD2 3.6Å; Y146-L304 HydrophobicContact CD2-CD2 3.94Å; Y146-L304 HydrophobicContact CE1-CD2 3.9Å; Y146-L304 HydrophobicContact CE1-CG 4.33Å; Y146-L304 HydrophobicContact CE2-CD2 4.17Å; Y146-L304 HydrophobicContact CE2-CG 4.46Å; Y146-L304 HydrophobicContact CG-CD2 3.64Å; L268-L304 HydrophobicContact CB-CD1 4.06Å; L268-L304 HydrophobicContact CD1-CD1 4.41Å; L274-L304 HydrophobicContact CD1-CD1 4.11Å; L274-L304 HydrophobicContact CD1-CD2 3.46Å; L274-L304 VanDerWaalsContact CD1-CD2 3.46Å; L274-L304 HydrophobicContact CD1-CG 4.43Å; I286-L304 HydrophobicContact CD1-CB 4.02Å; I286-L304 HydrophobicContact CD1-CD1 4.24Å; I286-L304 HydrophobicContact CD1-CD2 4.24Å; I286-L304 HydrophobicContact CD1-CG 4.4Å; L288-L304 HydrophobicContact CD2-CB 4.31Å; R300-L304 WeakPolarHBondContact O-CB 3.35Å; R300-L304 PolarHBondContact O-N 2.87Å; L304-C306 VanDerWaalsContact C-N 3.32Å; L304-C306 PolarHBondContact O-N 3.01Å; L304-L307 WeakPolarHBondContact O-CB 3.18Å; L304-L307 PolarHBondContact O-N 2.99Å; L304-L307 VanDerWaalsContact O-N 3.13Å; L304-L308 HydrophobicContact CD1-CD1 4.16Å; L304-L308 HydrophobicContact CD1-CG 4.25Å; L304-L308 HydrophobicContact CG-CD1 4.13Å; L304-L308 WeakPolarHBondContact O-CG 3.48Å; L304-L308 PolarHBondContact O-N 3.03Å
305H98.7Very high97.5Very high0 Ų050.9 Ų50.90%027%0.265CS..Hα-helixtrans-60.4-42.6178.2-167.486000111.9T77 Y146 F301 R302 S303 L307 L308 Y309 T312 W314T77-H305 HydrophobicContact CG2-CB 4Å; T77-H305 PolarHBondContact O-CE1 3.08Å; Y146-H305 HydrophobicContact CE2-CB 4.05Å; Y146-H305 AromaticContact CZ-ND1 3.93Å; Y146-H305 VanDerWaalsContact OH-CA 3.31Å; Y146-H305 WeakPolarHBondContact OH-CA 3.33Å; Y146-H305 WeakPolarHBondContact OH-CB 3.3Å; Y146-H305 PolarHBondContact OH-ND1 2.87Å; F301-H305 VanDerWaalsContact O-CB 3.29Å; F301-H305 WeakPolarHBondContact O-CB 3.47Å; F301-H305 PolarHBondContact O-N 3.33Å; R302-H305 WeakPolarHBondContact O-CB 3.35Å; R302-H305 PolarHBondContact O-N 2.84Å; S303-H305 VanDerWaalsContact C-N 3.33Å; S303-H305 PolarHBondContact O-N 2.77Å; H305-L307 VanDerWaalsContact C-N 3.31Å; H305-L307 PolarHBondContact O-N 3.47Å; H305-L308 PolarHBondContact O-N 3.37Å; H305-Y309 AromaticContact CE1-CD2 3.55Å; H305-Y309 AromaticContact ND1-CD2 3.69Å; H305-Y309 AromaticContact NE2-CD2 3.91Å; H305-Y309 WeakPolarHBondContact O-CA 3.38Å; H305-Y309 PolarHBondContact O-N 2.85Å; H305-T312 PolarHBondContact NE2-OG1 3.41Å; H305-W314 HydrophobicContact CB-CH2 4.08Å; H305-W314 AromaticContact CD2-CH2 3.69Å; H305-W314 AromaticContact CD2-CZ2 3.53Å
306C98.1Very high97.3Very high11 Ų1146.4 Ų46.47%0.07425%0.25CC..Hα-helixtrans-68.3-28.7175.5-63.60000113.7P291 R302 S303 L304 P310 W314 C315P291-C306 HydrophobicContact CG-CB 3.66Å; R302-C306 PolarHBondContact O-N 3.41Å; R302-C306 PolarHBondContact O-SG 3.11Å; R302-C306 VanDerWaalsContact O-SG 3.34Å; S303-C306 PolarHBondContact O-N 3.43Å; L304-C306 VanDerWaalsContact C-N 3.32Å; L304-C306 PolarHBondContact O-N 3.01Å; C306-P310 WeakPolarHBondContact O-CA 3.49Å; C306-W314 VanDerWaalsContact SG-CZ3 3.52Å; C306-C315 WeakPolarHBondContact CA-SG 3.33Å; C306-C315 HydrophobicContact CB-CB 3.78Å; C306-C315 WeakPolarHBondContact CB-SG 3.48Å; C306-C315 WeakPolarHBondContact SG-CA 3.37Å; C306-C315 WeakPolarHBondContact SG-CB 3.44Å; C306-C315 CovalentContact SG-SG 2.03Å; C306-C315 PolarHBondContact SG-SG 3.15Å
307L97Very high96.5Very high76 Ų7648.8 Ų48.840%0.39826%0.261SS..Hα-helixtrans-65.9-41171.2178.767.4000111.5T265 L268 L288 S303 L304 H305T265-L307 HydrophobicContact CG2-CD2 4.44Å; L268-L307 HydrophobicContact CB-CD2 4.38Å; L268-L307 HydrophobicContact CD1-CD2 4.28Å; L288-L307 HydrophobicContact CD1-CD2 4.18Å; S303-L307 PolarHBondContact O-N 2.76Å; L304-L307 WeakPolarHBondContact O-CB 3.18Å; L304-L307 PolarHBondContact O-N 2.99Å; L304-L307 VanDerWaalsContact O-N 3.13Å; H305-L307 VanDerWaalsContact C-N 3.31Å; H305-L307 PolarHBondContact O-N 3.47Å
308L97.9Very high94.9Very high37 Ų3757.4 Ų57.419%0.19431%0.306CS..Hα-helixtrans-83.2-32.9-177-61.3178.5000113.3Y146 P269 L304 H305Y146-L308 HydrophobicContact CE1-CD1 3.75Å; P269-L308 HydrophobicContact CB-CD2 3.88Å; P269-L308 HydrophobicContact CG-CD2 4.18Å; L304-L308 HydrophobicContact CD1-CD1 4.16Å; L304-L308 HydrophobicContact CD1-CG 4.25Å; L304-L308 HydrophobicContact CG-CD1 4.13Å; L304-L308 WeakPolarHBondContact O-CG 3.48Å; L304-L308 PolarHBondContact O-N 3.03Å; H305-L308 PolarHBondContact O-N 3.37Å
309Y97.5Very high92.7Very high40 Ų4057.2 Ų57.216%0.15732%0.318CS..  trans-134.869-173.9-52.5-75.6000110.2R81 P149 H305 D311 T312R81-Y309 HydrophobicContact CG-CD2 4.31Å; R81-Y309 HydrophobicContact CG-CE1 4.31Å; R81-Y309 HydrophobicContact CG-CE2 4.04Å; P149-Y309 WeakPolarHBondContact CG-OH 3.34Å; H305-Y309 AromaticContact CE1-CD2 3.55Å; H305-Y309 AromaticContact ND1-CD2 3.69Å; H305-Y309 AromaticContact NE2-CD2 3.91Å; H305-Y309 WeakPolarHBondContact O-CA 3.38Å; H305-Y309 PolarHBondContact O-N 2.85Å; Y309-D311 WeakPolarHBondContact CA-OD1 3.46Å; Y309-D311 PolarHBondContact O-N 3.44Å; Y309-D311 VanDerWaalsContact O-N 3.14Å; Y309-T312 WeakPolarHBondContact CB-OG1 3.26Å; Y309-T312 WeakPolarHBondContact O-CB 3.05Å; Y309-T312 PolarHBondContact O-N 3.48Å; Y309-T312 PolarHBondContact O-OG1 2.92Å
310P96.2Very high89.9Confident100 Ų10061.4 Ų61.465%0.64935%0.353SS*.THydrogen-bonded Turntrans-65.3-15.8-17627.7-36.2000113.5C306 T312C306-P310 WeakPolarHBondContact O-CA 3.49Å; P310-T312 PolarHBondContact O-N 3.12Å
311D95.1Very high87Confident111 Ų11175.9 Ų75.959%0.59441%0.407SS*.THydrogen-bonded Turntrans-73.5-9.917461.3-66.2000113.8R81 Y309 P313R81-D311 IonicContact NH1-OD2 3.68Å; R81-D311 IonicContact NH2-OD2 3.72Å; Y309-D311 WeakPolarHBondContact CA-OD1 3.46Å; Y309-D311 PolarHBondContact O-N 3.44Å; Y309-D311 VanDerWaalsContact O-N 3.14Å; D311-P313 WeakPolarHBondContact O-CD 3.45Å
312T97.1Very high86.4Confident9 Ų979.7 Ų79.76%0.05543%0.428CS..  trans-62.5123.2-179.8-49.40000110.4R81 H305 Y309 P310 W314 C315R81-T312 PolarHBondContact NH2-OG1 3.15Å; H305-T312 PolarHBondContact NE2-OG1 3.41Å; Y309-T312 WeakPolarHBondContact CB-OG1 3.26Å; Y309-T312 WeakPolarHBondContact O-CB 3.05Å; Y309-T312 PolarHBondContact O-N 3.48Å; Y309-T312 PolarHBondContact O-OG1 2.92Å; P310-T312 PolarHBondContact O-N 3.12Å; T312-W314 VanDerWaalsContact C-N 3.28Å; T312-W314 HydrophobicContact CG2-CD2 3.95Å; T312-W314 HydrophobicContact CG2-CG 4.15Å; T312-W314 HydrophobicContact CG2-CZ2 3.76Å; T312-W314 PolarHBondContact O-N 3.48Å; T312-W314 VanDerWaalsContact O-N 3.08Å; T312-C315 VanDerWaalsContact O-CB 3.27Å; T312-C315 WeakPolarHBondContact O-CB 3.39Å; T312-C315 PolarHBondContact O-N 2.85Å
313P95.6Very high85.8Confident131 Ų13180.1 Ų80.185%0.85144%0.436SS*.THydrogen-bonded Turntrans-59.3-30-167.4-29.335.2000116.3D311 C315D311-P313 WeakPolarHBondContact O-CD 3.45Å; P313-C315 VanDerWaalsContact C-N 3.33Å
314W96.2Very high85.1Confident93 Ų9384.5 Ų84.535%0.35246%0.46SS..THydrogen-bonded Turntrans-86-4.5179.855.5-105.8000113.3D76 T77 F292 R302 H305 C306 T312D76-W314 WeakPolarHBondContact O-CZ2 3.13Å; T77-W314 HydrophobicContact CG2-CH2 4.11Å; T77-W314 HydrophobicContact CG2-CZ2 4.24Å; F292-W314 HydrophobicContact CE2-CE3 4.29Å; F292-W314 AromaticContact CE2-CZ3 3.82Å; F292-W314 HydrophobicContact CE2-CZ3 3.82Å; F292-W314 AromaticContact CZ-CE3 3.92Å; F292-W314 HydrophobicContact CZ-CE3 3.92Å; F292-W314 AromaticContact CZ-CZ3 3.9Å; F292-W314 HydrophobicContact CZ-CZ3 3.9Å; R302-W314 HydrophobicContact CB-CH2 4.25Å; R302-W314 HydrophobicContact CB-CZ3 4.04Å; R302-W314 HydrophobicContact CG-CZ3 4.48Å; H305-W314 HydrophobicContact CB-CH2 4.08Å; H305-W314 AromaticContact CD2-CH2 3.69Å; H305-W314 AromaticContact CD2-CZ2 3.53Å; C306-W314 VanDerWaalsContact SG-CZ3 3.52Å; T312-W314 VanDerWaalsContact C-N 3.28Å; T312-W314 HydrophobicContact CG2-CD2 3.95Å; T312-W314 HydrophobicContact CG2-CG 4.15Å; T312-W314 HydrophobicContact CG2-CZ2 3.76Å; T312-W314 PolarHBondContact O-N 3.48Å; T312-W314 VanDerWaalsContact O-N 3.08Å
315C97Very high84.3Confident14 Ų1489.4 Ų89.410%0.09549%0.487CS..SBendtrans-69131.6174.7-75.10000110.6C306 T312 P313 Q317C306-C315 WeakPolarHBondContact CA-SG 3.33Å; C306-C315 HydrophobicContact CB-CB 3.78Å; C306-C315 WeakPolarHBondContact CB-SG 3.48Å; C306-C315 WeakPolarHBondContact SG-CA 3.37Å; C306-C315 WeakPolarHBondContact SG-CB 3.44Å; C306-C315 CovalentContact SG-SG 2.03Å; C306-C315 PolarHBondContact SG-SG 3.15Å; T312-C315 VanDerWaalsContact O-CB 3.27Å; T312-C315 WeakPolarHBondContact O-CB 3.39Å; T312-C315 PolarHBondContact O-N 2.85Å; P313-C315 VanDerWaalsContact C-N 3.33Å; C315-Q317 PolarHBondContact O-N 2.77Å
316P92.4Very high83.4Confident58 Ų5895 Ų9538%0.37752%0.517SS..PPolyproline II helixtrans-60129.9174.8-23.733.9000110.1P291 F292 L318P291-P316 HydrophobicContact CB-CB 4.02Å; P291-P316 HydrophobicContact CB-CG 3.91Å; P291-P316 HydrophobicContact CG-CG 4.26Å; F292-P316 HydrophobicContact CD1-CG 4.45Å; F292-P316 HydrophobicContact CE1-CG 3.89Å; F292-P316 HydrophobicContact CE2-CG 4.25Å; F292-P316 HydrophobicContact CZ-CG 3.79Å; P316-L318 PolarHBondContact O-N 3.14Å
317Q81Confident82.4Confident177 Ų177100.6 Ų100.683%0.82755%0.547SS*.PPolyproline II helixtrans-67.4129.2173.3-65.6-165.9-1400109.3C315 G319C315-Q317 PolarHBondContact O-N 2.77Å; Q317-G319 PolarHBondContact O-N 3.11Å
318L63.7Low81.3Confident183 Ų183102.4 Ų102.496%0.95856%0.557SS**THydrogen-bonded Turntrans-65.680170.9-76.8158000108.7P316P316-L318 PolarHBondContact O-N 3.14Å
319G52.9Low80.1Confident71 Ų71107.4 Ų107.473%0.73259%0.585SS**THydrogen-bonded Turntrans162.68.5-178.100000118.5Q317Q317-G319 PolarHBondContact O-N 3.11Å
320A38.3Very low78.6Confident93 Ų93113 Ų11377%0.76962%0.621SS**  trans-105.360.5170.600000111.7
321R37.9Very low77Confident316 Ų316114.2 Ų114.2100%1.19262%0.618SS**  trans-145.50155.8-77.3-165.3-177.4-178.11.7109.1

Retrieved 321 of 321 residues in 844.8 ms (Link to these results)