A0A060XBK9_ONCMY Loading...

Zinc finger and BTB domain containing 8A

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A060XBK9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 471 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
1M38.4Very low32.8Very low243 Ų243150.4 Ų150.4100%1.19787%0.867SS**  0153.30-78.6178165.600108.2
2A31.7Very low32.9Very low89 Ų89146.1 Ų146.174%0.73686%0.863SS**  trans65.9143.6177.600000115.2
3M28.7Very low32.7Very low172 Ų172153 Ų15385%0.84787%0.868SS**  cis-140.6133-20.4-63.5-162.4-174.400106.1
4V33Very low32.6Very low130 Ų130159.1 Ų159.179%0.78887%0.87SS**  65.3109.380.2-176.80000114.6
5T36.3Very low32.5Very low130 Ų130155.3 Ų155.380%0.79887%0.868SS**  trans51.8130.7159.7570000122.1
6E32.6Very low32.5Very low195 Ų195154.6 Ų154.691%0.91187%0.869SS**  -156.3164.5103.6-117.3177.4-170.100112.6
7M36.6Very low32.7Very low196 Ų196150 Ų15097%0.96687%0.865SS**  trans-107.6138.2178.7-71.1-177.7173.500110.9
8G28.1Very low32.7Very low80 Ų80151.1 Ų151.183%0.82586%0.86SS**  trans-142.7111172.500000111.3
9A33.8Very low32.9Very low85 Ų85149.9 Ų149.970%0.70286%0.86SS**  trans-90.4145.7-175.400000112.7L11A9-L11 HydrophobicContact CB-CD1 4.48Å
10N31.6Very low32.7Very low171 Ų171148.9 Ų148.991%0.91485%0.851SS**  trans-137.892.5161.6-92.6-58.1000109.1
11L30.4Very low33.1Very low163 Ų163150 Ų15085%0.85385%0.849SS**PPolyproline II helixtrans-80.7121.7167.5-82.690.7000109.4A9A9-L11 HydrophobicContact CB-CD1 4.48Å
12A33.4Very low32.8Very low99 Ų99145.7 Ų145.782%0.81883%0.829SS**PPolyproline II helixtrans-74.4140.5162.600000110.2
13Y30.1Very low32.8Very low236 Ų236149.2 Ų149.293%0.92583%0.831SS**PPolyproline II helixtrans-64.1142.5-176.8-117.8-110.2000112.6
14R31.9Very low32.9Very low238 Ų238145.4 Ų145.490%0.89883%0.826SS**PPolyproline II helixtrans-86127.7160.8-95.4-176170.3174.4-3.1109.6
15A30.7Very low33.2Very low102 Ų102146.5 Ų146.584%0.84382%0.823SS**PPolyproline II helixtrans-99.4158.6156.700000109.6
16T33Very low33Very low144 Ų144149.8 Ų149.888%0.88382%0.821SS**  trans-107.6126.9-164.149.20000114.3
17G36.3Very low33.2Very low77 Ų77149.1 Ų149.179%0.79481%0.81SS**  trans94.988.5140.900000118.6
18E31.8Very low33.3Very low169 Ų169146.5 Ų146.579%0.7979%0.79SS**  trans-144.7144.9140.2-80.4-150.9126.600109.9N20E18-N20 PolarHBondContact O-N 2.98Å; E18-N20 VanDerWaalsContact O-N 3.09Å
19P36Very low33.8Very low130 Ų130149.8 Ų149.884%0.84478%0.784SS**  trans-87.564.4-17436.6-36.5000112.5H21P19-H21 PolarHBondContact O-N 3.47Å; P19-H21 VanDerWaalsContact O-N 3.11Å
20N29.6Very low34.5Very low129 Ų129150 Ų15069%0.6978%0.776SS**  trans-68.8109.1175.8-103-48.8000111.3E18 L22E18-N20 PolarHBondContact O-N 2.98Å; E18-N20 VanDerWaalsContact O-N 3.09Å; N20-L22 PolarHBondContact O-N 2.9Å
21H40.5Very low35.3Very low173 Ų173144.9 Ų144.980%0.80175%0.749SS**  trans-76.254.1179.7-167-73.4000112P19 Q23P19-H21 PolarHBondContact O-N 3.47Å; P19-H21 VanDerWaalsContact O-N 3.11Å; H21-Q23 VanDerWaalsContact C-N 3.34Å; H21-Q23 PolarHBondContact O-N 3.12Å
22L33.1Very low36.5Very low151 Ų151142.1 Ų142.179%0.79173%0.734SS**  trans-75.389.7170.7-78.8168.8000109.1N20 A24N20-L22 PolarHBondContact O-N 2.9Å; L22-A24 PolarHBondContact O-N 2.97Å
23Q31.5Very low37.9Very low163 Ų163140.1 Ų140.176%0.76271%0.712SS**  trans-57.4100.8172.5-175178.418.800109.1H21 Q25H21-Q23 VanDerWaalsContact C-N 3.34Å; H21-Q23 PolarHBondContact O-N 3.12Å; Q23-Q25 PolarHBondContact O-N 3.45Å
24A30.4Very low39.7Very low92 Ų92131.2 Ų131.276%0.7669%0.687SS**  trans-60.5105.9-178.700000109.6L22 R26L22-A24 PolarHBondContact O-N 2.97Å; A24-R26 PolarHBondContact O-N 3.22Å
25Q40.4Very low41.7Very low153 Ų153124.6 Ų124.672%0.71567%0.67SS**  trans-62.4105.6177.9-79.2-171.2-24.300109Q23 W27Q23-Q25 PolarHBondContact O-N 3.45Å; Q25-W27 PolarHBondContact O-N 3.19Å
26R31.9Very low43.8Very low200 Ų200125 Ų12576%0.75565%0.654SS**  trans-78.477.6176.9-173.8-179.5-171.3160.32.1108A24 Y28A24-R26 PolarHBondContact O-N 3.22Å; R26-Y28 WeakPolarHBondContact O-CD2 3.43Å; R26-Y28 VanDerWaalsContact O-CE2 3.27Å; R26-Y28 WeakPolarHBondContact O-CE2 3.4Å; R26-Y28 PolarHBondContact O-N 2.91Å
27W35.2Very low46Very low181 Ų181124 Ų12469%0.68664%0.639SS**  trans-48112.8174.8-68.482.8000109.5Q25Q25-W27 PolarHBondContact O-N 3.19Å
28Y38.7Very low48.2Very low140 Ų140123.5 Ų123.555%0.54962%0.624SS.*  trans-80.2142.8-178.5-65.8-95.3000108.5R26 T30 D31R26-Y28 WeakPolarHBondContact O-CD2 3.43Å; R26-Y28 VanDerWaalsContact O-CE2 3.27Å; R26-Y28 WeakPolarHBondContact O-CE2 3.4Å; R26-Y28 PolarHBondContact O-N 2.91Å; Y28-T30 WeakPolarHBondContact CB-OG1 3.4Å; Y28-T30 PolarHBondContact O-N 3.43Å; Y28-T30 VanDerWaalsContact O-N 3.09Å; Y28-D31 WeakPolarHBondContact CB-OD2 3.23Å; Y28-D31 PolarHBondContact N-OD2 3.06Å; Y28-D31 VanDerWaalsContact N-OD2 3.14Å; Y28-D31 PolarHBondContact O-N 3.2Å
29H39.8Very low50.8Low150 Ų150122 Ų12269%0.69461%0.612SS**Hα-helixtrans-59.2-25.4-179.2-170.1-52.7000112D31 T33H29-D31 VanDerWaalsContact C-N 3.31Å; H29-D31 PolarHBondContact O-N 3.04Å; H29-T33 PolarHBondContact O-N 3.41Å; H29-T33 PolarHBondContact O-OG1 3.43Å; H29-T33 VanDerWaalsContact O-OG1 3.05Å
30T47.4Very low53.2Low88 Ų88119.7 Ų119.754%0.5459%0.592SS.*Hα-helixtrans-55.1-43.5170.841.10000112.8Y28 T33 A34Y28-T30 WeakPolarHBondContact CB-OG1 3.4Å; Y28-T30 PolarHBondContact O-N 3.43Å; Y28-T30 VanDerWaalsContact O-N 3.09Å; T30-T33 VanDerWaalsContact C-OG1 3.32Å; T30-T33 WeakPolarHBondContact CA-OG1 3.37Å; T30-T33 PolarHBondContact O-N 3.18Å; T30-T33 PolarHBondContact O-OG1 3.16Å; T30-A34 WeakPolarHBondContact O-CB 3.25Å; T30-A34 PolarHBondContact O-N 3.45Å
31D50.3Low56Low65 Ų65116.3 Ų116.335%0.34857%0.573SS.*Hα-helixtrans-77.1-37.5-167-40.7-21.9000109.5Y28 H29 A34 N35Y28-D31 WeakPolarHBondContact CB-OD2 3.23Å; Y28-D31 PolarHBondContact N-OD2 3.06Å; Y28-D31 VanDerWaalsContact N-OD2 3.14Å; Y28-D31 PolarHBondContact O-N 3.2Å; H29-D31 VanDerWaalsContact C-N 3.31Å; H29-D31 PolarHBondContact O-N 3.04Å; D31-A34 PolarHBondContact O-N 3.1Å; D31-N35 VanDerWaalsContact O-CB 3.3Å; D31-N35 WeakPolarHBondContact O-CB 3.36Å; D31-N35 PolarHBondContact O-N 3.45Å; D31-N35 PolarHBondContact O-ND2 3.01Å
32I55.2Low58.2Low104 Ų104114.9 Ų114.953%0.53357%0.565SS.*Hα-helixtrans-61.8-44.9170.3-58.2176.2000110.2H36I32-H36 VanDerWaalsContact O-CB 3.28Å; I32-H36 WeakPolarHBondContact O-CB 3.37Å; I32-H36 PolarHBondContact O-N 3.38Å
33T62.8Low60.9Low57 Ų57111 Ų11135%0.3554%0.542SS..Hα-helixtrans-67.7-38.4177.944.70000113.3H29 T30 H36 Q37H29-T33 PolarHBondContact O-N 3.41Å; H29-T33 PolarHBondContact O-OG1 3.43Å; H29-T33 VanDerWaalsContact O-OG1 3.05Å; T30-T33 VanDerWaalsContact C-OG1 3.32Å; T30-T33 WeakPolarHBondContact CA-OG1 3.37Å; T30-T33 PolarHBondContact O-N 3.18Å; T30-T33 PolarHBondContact O-OG1 3.16Å; T33-H36 PolarHBondContact O-N 3.03Å; T33-Q37 WeakPolarHBondContact O-CB 3.32Å; T33-Q37 VanDerWaalsContact O-CG 3.23Å; T33-Q37 WeakPolarHBondContact O-CG 3.47Å; T33-Q37 PolarHBondContact O-N 2.78Å
34A67.3Low63.7Low49 Ų49105.7 Ų105.741%0.40552%0.519SS..Hα-helixtrans-66.8-45.6177.200000111.7T30 D31 H36 Q37 S38T30-A34 WeakPolarHBondContact O-CB 3.25Å; T30-A34 PolarHBondContact O-N 3.45Å; D31-A34 PolarHBondContact O-N 3.1Å; A34-H36 VanDerWaalsContact C-N 3.3Å; A34-H36 PolarHBondContact O-N 3.1Å; A34-Q37 PolarHBondContact O-N 3.06Å; A34-S38 PolarHBondContact O-N 2.75Å; A34-S38 PolarHBondContact O-OG 3.03Å
35N72.9Confident66.6Low100 Ų100102.1 Ų102.154%0.53549%0.488SS..Hα-helixtrans-65.8-32.7176.6-70.1-18.8000112.4D31 S38 Y39D31-N35 VanDerWaalsContact O-CB 3.3Å; D31-N35 WeakPolarHBondContact O-CB 3.36Å; D31-N35 PolarHBondContact O-N 3.45Å; D31-N35 PolarHBondContact O-ND2 3.01Å; N35-S38 PolarHBondContact O-OG 3.33Å; N35-Y39 WeakPolarHBondContact O-CB 3.34Å; N35-Y39 PolarHBondContact O-N 3.32Å; N35-Y39 VanDerWaalsContact O-N 3.12Å
36H75.2Confident69Low111 Ų11198 Ų9851%0.51447%0.47SS..Hα-helixtrans-69.6-41.6173-173.954.3000111.8I32 T33 A34 Y39 L40I32-H36 VanDerWaalsContact O-CB 3.28Å; I32-H36 WeakPolarHBondContact O-CB 3.37Å; I32-H36 PolarHBondContact O-N 3.38Å; T33-H36 PolarHBondContact O-N 3.03Å; A34-H36 VanDerWaalsContact C-N 3.3Å; A34-H36 PolarHBondContact O-N 3.1Å; H36-Y39 PolarHBondContact O-N 2.83Å; H36-L40 WeakPolarHBondContact O-CG 3.41Å; H36-L40 PolarHBondContact O-N 2.87Å
37Q80Confident71.8Confident121 Ų12191.2 Ų91.257%0.56545%0.447SS*.Hα-helixtrans-63.8-44.3176.7-75.6167.1-700112.4T33 A34 L40 L41T33-Q37 WeakPolarHBondContact O-CB 3.32Å; T33-Q37 VanDerWaalsContact O-CG 3.23Å; T33-Q37 WeakPolarHBondContact O-CG 3.47Å; T33-Q37 PolarHBondContact O-N 2.78Å; A34-Q37 PolarHBondContact O-N 3.06Å; Q37-L40 PolarHBondContact O-N 3.33Å; Q37-L41 PolarHBondContact O-N 3.03Å
38S82.4Confident74.5Confident67 Ų6783.9 Ų83.947%0.46942%0.419SS..Hα-helixtrans-67.1-35.1176.662.70000112.5A34 N35 K42A34-S38 PolarHBondContact O-N 2.75Å; A34-S38 PolarHBondContact O-OG 3.03Å; N35-S38 PolarHBondContact O-OG 3.33Å; S38-K42 WeakPolarHBondContact O-CB 3.11Å; S38-K42 PolarHBondContact O-N 3.39Å
39Y85.8Confident77Confident138 Ų13884 Ų8454%0.54142%0.419SS..Hα-helixtrans-64.3-43.4171.7-176.6-95.5000112.4N35 H36 K42 Q43N35-Y39 WeakPolarHBondContact O-CB 3.34Å; N35-Y39 PolarHBondContact O-N 3.32Å; N35-Y39 VanDerWaalsContact O-N 3.12Å; H36-Y39 PolarHBondContact O-N 2.83Å; Y39-K42 PolarHBondContact O-N 2.89Å; Y39-Q43 HydrophobicContact CD1-CG 4.32Å; Y39-Q43 HydrophobicContact CE1-CG 3.92Å; Y39-Q43 WeakPolarHBondContact O-CG 3.49Å; Y39-Q43 PolarHBondContact O-N 3.19Å; Y39-Q43 PolarHBondContact OH-NE2 2.94Å
40L87.4Confident79.4Confident82 Ų8283 Ų8343%0.42941%0.414SS..Hα-helixtrans-63.7-44.6176.3-73172.2000112.1H36 Q37 K42 Q43 L44H36-L40 WeakPolarHBondContact O-CG 3.41Å; H36-L40 PolarHBondContact O-N 2.87Å; Q37-L40 PolarHBondContact O-N 3.33Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.08Å; L40-Q43 PolarHBondContact O-N 3.05Å; L40-Q43 VanDerWaalsContact O-N 3.16Å; L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.42Å
41L86.9Confident81.4Confident57 Ų5784.2 Ų84.230%0.29841%0.414SS..Hα-helixtrans-57.5-45.9174.4-84.8162.5000111.6Q37 Q43 L44 D45 Y114Q37-L41 PolarHBondContact O-N 3.03Å; L41-Q43 VanDerWaalsContact C-N 3.3Å; L41-Q43 PolarHBondContact O-N 3.36Å; L41-L44 PolarHBondContact O-N 3.13Å; L41-L44 VanDerWaalsContact O-N 3.13Å; L41-D45 PolarHBondContact O-N 2.95Å; L41-Y114 CarbonylContact C-O 3.41Å
42K87.7Confident83.2Confident144 Ų14484.9 Ų84.963%0.62642%0.417SS*.Hα-helixtrans-61.9-33.4175.9-171.2168.2-174.7168.40113.5S38 Y39 L40 N46S38-K42 WeakPolarHBondContact O-CB 3.11Å; S38-K42 PolarHBondContact O-N 3.39Å; Y39-K42 PolarHBondContact O-N 2.89Å; L40-K42 VanDerWaalsContact C-N 3.34Å; L40-K42 PolarHBondContact O-N 3.08Å; K42-N46 PolarHBondContact O-N 3.09Å; K42-N46 VanDerWaalsContact O-N 3.15Å; K42-N46 PolarHBondContact O-ND2 2.69Å
43Q89.6Confident84.7Confident68 Ų6887.7 Ų87.732%0.31843%0.426SS..Hα-helixtrans-72.3-37.6173.5-68.6-65.2-5.200112.4Y39 L40 L41 D45 N46 Q47Y39-Q43 HydrophobicContact CD1-CG 4.32Å; Y39-Q43 HydrophobicContact CE1-CG 3.92Å; Y39-Q43 WeakPolarHBondContact O-CG 3.49Å; Y39-Q43 PolarHBondContact O-N 3.19Å; Y39-Q43 PolarHBondContact OH-NE2 2.94Å; L40-Q43 PolarHBondContact O-N 3.05Å; L40-Q43 VanDerWaalsContact O-N 3.16Å; L41-Q43 VanDerWaalsContact C-N 3.3Å; L41-Q43 PolarHBondContact O-N 3.36Å; Q43-D45 VanDerWaalsContact C-N 3.33Å; Q43-N46 PolarHBondContact O-N 2.99Å; Q43-Q47 WeakPolarHBondContact O-CG 3.32Å; Q43-Q47 PolarHBondContact O-N 3.1Å
44L90.6Very high85.9Confident53 Ų5386.1 Ų86.128%0.27742%0.417SS..Hα-helixtrans-66.6-33.8173.4-69.8168.2000112.1L40 L41 Q47 R48 H68 V71 Y114L40-L44 WeakPolarHBondContact O-CG 3.35Å; L40-L44 PolarHBondContact O-N 3.42Å; L41-L44 PolarHBondContact O-N 3.13Å; L41-L44 VanDerWaalsContact O-N 3.13Å; L44-Q47 PolarHBondContact O-N 3.4Å; L44-R48 WeakPolarHBondContact O-CB 3.08Å; L44-R48 PolarHBondContact O-N 3.28Å; L44-H68 PolarHBondContact O-CE1 3.47Å; L44-V71 HydrophobicContact CD1-CG2 4.11Å; L44-Y114 HydrophobicContact CB-CD1 4.15Å; L44-Y114 HydrophobicContact CB-CE1 4.1Å
45D90.8Very high86.8Confident17 Ų1786.5 Ų86.59%0.09141%0.412CS..Hα-helixtrans-67.6-43.7173.9-166.539.4000112.1L41 Q43 Q47 R48 R49 Y114L41-D45 PolarHBondContact O-N 2.95Å; Q43-D45 VanDerWaalsContact C-N 3.33Å; D45-Q47 VanDerWaalsContact C-N 3.28Å; D45-Q47 PolarHBondContact O-N 2.9Å; D45-R48 WeakPolarHBondContact O-CB 3.41Å; D45-R48 PolarHBondContact O-N 3.23Å; D45-R48 IonicContact OD1-CZ 2.85Å; D45-R48 VanDerWaalsContact OD1-CZ 3.24Å; D45-R48 IonicContact OD1-NE 3.17Å; D45-R48 PolarHBondContact OD1-NE 3.37Å; D45-R48 IonicContact OD1-NH2 2.78Å; D45-R48 PolarHBondContact OD1-NH2 3.16Å; D45-R49 WeakPolarHBondContact O-CG 3.27Å; D45-R49 PolarHBondContact O-N 3.04Å; D45-R49 IonicContact OD1-CZ 3.32Å; D45-R49 IonicContact OD1-NE 2.7Å; D45-R49 PolarHBondContact OD1-NE 2.83Å; D45-R49 IonicContact OD1-NH2 3.49Å; D45-R49 IonicContact OD2-CZ 3.06Å; D45-R49 IonicContact OD2-NE 3.21Å; D45-R49 PolarHBondContact OD2-NE 3Å; D45-R49 IonicContact OD2-NH2 2.7Å; D45-R49 PolarHBondContact OD2-NH2 2.9Å; D45-Y114 HydrophobicContact CB-CD1 4.25Å
46N91.3Very high87.6Confident65 Ų6581.8 Ų81.835%0.34839%0.387SS..Hα-helixtrans-57.7-41.6172.8-73.5-24.1000111.7K42 Q43 Q50K42-N46 PolarHBondContact O-N 3.09Å; K42-N46 VanDerWaalsContact O-N 3.15Å; K42-N46 PolarHBondContact O-ND2 2.69Å; Q43-N46 PolarHBondContact O-N 2.99Å; N46-Q50 WeakPolarHBondContact O-CB 3.43Å; N46-Q50 VanDerWaalsContact O-CG 3.25Å; N46-Q50 WeakPolarHBondContact O-CG 3.14Å; N46-Q50 PolarHBondContact O-N 3.08Å; N46-Q50 VanDerWaalsContact O-N 3.15Å
47Q91.2Very high88.3Confident59 Ų5977.9 Ų77.928%0.27637%0.37SS..Hα-helixtrans-65.5-44.6176.4-72169.222.900111.6Q43 L44 D45 R49 Q50 E51 L52Q43-Q47 WeakPolarHBondContact O-CG 3.32Å; Q43-Q47 PolarHBondContact O-N 3.1Å; L44-Q47 PolarHBondContact O-N 3.4Å; D45-Q47 VanDerWaalsContact C-N 3.28Å; D45-Q47 PolarHBondContact O-N 2.9Å; Q47-R49 PolarHBondContact O-N 2.97Å; Q47-Q50 CarbonylContact O-C 3.56Å; Q47-Q50 PolarHBondContact O-N 3.25Å; Q47-Q50 VanDerWaalsContact O-N 3.1Å; Q47-E51 PolarHBondContact O-N 3.47Å; Q47-E51 VanDerWaalsContact O-N 3.08Å; Q47-L52 HydrophobicContact CB-CB 4.28Å; Q47-L52 PolarHBondContact O-N 3.17Å
48R92.1Very high88.8Confident26 Ų2672.2 Ų72.210%0.09834%0.343CS..Hα-helixtrans-56.8-48.8174.4-179.5-16966.2122.8-5.3111.6L44 D45 Q50 E51 L110 D111 Y114L44-R48 WeakPolarHBondContact O-CB 3.08Å; L44-R48 PolarHBondContact O-N 3.28Å; D45-R48 WeakPolarHBondContact O-CB 3.41Å; D45-R48 PolarHBondContact O-N 3.23Å; D45-R48 IonicContact OD1-CZ 2.85Å; D45-R48 VanDerWaalsContact OD1-CZ 3.24Å; D45-R48 IonicContact OD1-NE 3.17Å; D45-R48 PolarHBondContact OD1-NE 3.37Å; D45-R48 IonicContact OD1-NH2 2.78Å; D45-R48 PolarHBondContact OD1-NH2 3.16Å; R48-Q50 PolarHBondContact O-N 3Å; R48-E51 WeakPolarHBondContact O-CA 3.47Å; R48-E51 PolarHBondContact O-N 3Å; R48-L110 VanDerWaalsContact NH1-CD2 3.34Å; R48-D111 IonicContact CZ-OD1 3.81Å; R48-D111 IonicContact NH1-OD1 2.72Å; R48-D111 PolarHBondContact NH1-OD1 3.39Å; R48-D111 VanDerWaalsContact NH2-CG 3.34Å; R48-D111 IonicContact NH2-OD1 3.6Å; R48-D111 PolarHBondContact NH2-OD1 3.46Å; R48-D111 IonicContact NH2-OD2 3.9Å; R48-D111 PolarHBondContact NH2-OD2 3.02Å; R48-Y114 HydrophobicContact CB-CD1 4.42Å; R48-Y114 HydrophobicContact CB-CE1 4.08Å
49R89.6Confident89.2Confident144 Ų14472 Ų7254%0.54334%0.336SS..Hα-helixtrans-69-13.3179.4-65-175.2-158.7-90.70.3113.6D45 Q47 D111D45-R49 WeakPolarHBondContact O-CG 3.27Å; D45-R49 PolarHBondContact O-N 3.04Å; D45-R49 IonicContact OD1-CZ 3.32Å; D45-R49 IonicContact OD1-NE 2.7Å; D45-R49 PolarHBondContact OD1-NE 2.83Å; D45-R49 IonicContact OD1-NH2 3.49Å; D45-R49 IonicContact OD2-CZ 3.06Å; D45-R49 IonicContact OD2-NE 3.21Å; D45-R49 PolarHBondContact OD2-NE 3Å; D45-R49 IonicContact OD2-NH2 2.7Å; D45-R49 PolarHBondContact OD2-NH2 2.9Å; Q47-R49 PolarHBondContact O-N 2.97Å; R49-D111 IonicContact CZ-OD2 2.62Å; R49-D111 IonicContact NH1-OD2 2.68Å; R49-D111 PolarHBondContact NH1-OD2 2.84Å; R49-D111 IonicContact NH2-OD2 2.8Å; R49-D111 PolarHBondContact NH2-OD2 3.47Å
50Q91.6Very high89.5Confident127 Ų12765.4 Ų65.459%0.59331%0.311SS*.THydrogen-bonded Turntrans-101.66170.9-66.7171.719.200112.5N46 Q47 R48 L52N46-Q50 WeakPolarHBondContact O-CB 3.43Å; N46-Q50 VanDerWaalsContact O-CG 3.25Å; N46-Q50 WeakPolarHBondContact O-CG 3.14Å; N46-Q50 PolarHBondContact O-N 3.08Å; N46-Q50 VanDerWaalsContact O-N 3.15Å; Q47-Q50 CarbonylContact O-C 3.56Å; Q47-Q50 PolarHBondContact O-N 3.25Å; Q47-Q50 VanDerWaalsContact O-N 3.1Å; R48-Q50 PolarHBondContact O-N 3Å; Q50-L52 HydrophobicContact CB-CD1 4.07Å; Q50-L52 HydrophobicContact CB-CG 3.88Å; Q50-L52 PolarHBondContact O-N 2.9Å; Q50-L52 VanDerWaalsContact O-N 3.09Å
51E88.5Confident89.4Confident115 Ų11567.2 Ų67.254%0.53732%0.317SS..THydrogen-bonded Turntrans56.215.9-174.6-49.1-165.7131.500115.3Q47 R48 K66Q47-E51 PolarHBondContact O-N 3.47Å; Q47-E51 VanDerWaalsContact O-N 3.08Å; R48-E51 WeakPolarHBondContact O-CA 3.47Å; R48-E51 PolarHBondContact O-N 3Å; E51-K66 HydrophobicContact CB-CD 4.19Å; E51-K66 HydrophobicContact CG-CD 4.13Å; E51-K66 VanDerWaalsContact OE1-CD 3.29Å; E51-K66 WeakPolarHBondContact OE1-CD 3.42Å; E51-K66 VanDerWaalsContact OE1-CE 3.29Å; E51-K66 WeakPolarHBondContact OE1-CE 3.32Å; E51-K66 IonicContact OE1-NZ 3.71Å; E51-K66 PolarHBondContact OE1-NZ 3.06Å; E51-K66 IonicContact OE2-NZ 2.73Å; E51-K66 PolarHBondContact OE2-NZ 2.7Å
52L87.7Confident89.2Confident78 Ų7867.7 Ų67.741%0.40834%0.335SS..THydrogen-bonded Turntrans-72.8139.3179.7-61.1177.8000110.4Q47 Q50 C54 H68Q47-L52 HydrophobicContact CB-CB 4.28Å; Q47-L52 PolarHBondContact O-N 3.17Å; Q50-L52 HydrophobicContact CB-CD1 4.07Å; Q50-L52 HydrophobicContact CB-CG 3.88Å; Q50-L52 PolarHBondContact O-N 2.9Å; Q50-L52 VanDerWaalsContact O-N 3.09Å; L52-C54 PolarHBondContact O-N 2.7Å; L52-C54 PolarHBondContact O-SG 2.85Å; L52-C54 VanDerWaalsContact O-SG 3.41Å; L52-H68 PolarHBondContact O-NE2 2.78Å
53F86.3Confident89.3Confident164 Ų16465.3 Ų65.372%0.71933%0.327SS*.THydrogen-bonded Turntrans52.319.3175.6-51.9-70.2000116.1D55 H68F53-D55 PolarHBondContact O-N 3.49Å; F53-H68 PolarHBondContact O-CD2 2.83Å; F53-H68 VanDerWaalsContact O-CD2 3.32Å
54C88.3Confident89.4Confident23 Ų2366.2 Ų66.216%0.15533%0.333CS..  trans-77.6101.4178.3-69.10000110.9L52 K66L52-C54 PolarHBondContact O-N 2.7Å; L52-C54 PolarHBondContact O-SG 2.85Å; L52-C54 VanDerWaalsContact O-SG 3.41Å; C54-K66 HydrophobicContact CB-CB 3.89Å
55D87.8Confident89.5Confident58 Ų5864.8 Ų64.831%0.3133%0.325SS..  trans-97.13.8-177.967.1-37.7000113.9F53 A67 H68 R69 P93 V94F53-D55 PolarHBondContact O-N 3.49Å; D55-A67 PolarHBondContact N-O 3.47Å; D55-H68 WeakPolarHBondContact OD1-CA 3.39Å; D55-R69 VanDerWaalsContact CG-CB 3.41Å; D55-R69 VanDerWaalsContact OD1-CB 3.22Å; D55-R69 WeakPolarHBondContact OD1-CB 3.06Å; D55-R69 PolarHBondContact OD1-N 2.97Å; D55-R69 WeakPolarHBondContact OD2-CB 3.5Å; D55-R69 WeakPolarHBondContact OD2-CD 3.42Å; D55-P93 WeakPolarHBondContact O-CA 3.38Å; D55-V94 PolarHBondContact O-N 2.96Å
56C88.4Confident89.5Confident0 Ų067.2 Ų67.20%034%0.335CS..EExtended strand (participates in β ladder)trans-130.8135176.4-174.80000111.9A67 R69 V94C56-A67 WeakPolarHBondContact CB-O 3.29Å; C56-A67 PolarHBondContact N-O 2.83Å; C56-A67 PolarHBondContact O-N 3.48Å; C56-R69 HydrophobicContact CB-CB 4.12Å; C56-V94 WeakPolarHBondContact CA-O 3.47Å; C56-V94 PolarHBondContact SG-O 2.87Å
57N90.3Very high89.5Confident30 Ų3064.2 Ų64.216%0.1632%0.318CS..EExtended strand (participates in β ladder)trans-110.1122.9174.6-79.9-22.8000109.2L64 P93 V94 S95 T96N57-L64 HydrophobicContact CB-CD1 3.81Å; N57-P93 VanDerWaalsContact ND2-CG 3.28Å; N57-P93 WeakPolarHBondContact ND2-CG 3.43Å; N57-V94 PolarHBondContact N-O 3.39Å; N57-S95 CarbonylContact O-C 3.48Å; N57-S95 VanDerWaalsContact O-CA 3.29Å; N57-S95 WeakPolarHBondContact O-CA 3.38Å; N57-T96 PolarHBondContact O-N 2.96Å; N57-T96 PolarHBondContact O-OG1 3.13Å
58V90.7Very high89.5Confident1 Ų162 Ų621%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-113.6120.2174.7178.20000108.6V60 F65 L72 F79 T96 F98 F106V58-V60 HydrophobicContact CG1-CG2 3.98Å; V58-F65 HydrophobicContact CB-CB 4.33Å; V58-F65 PolarHBondContact N-O 3.24Å; V58-F65 PolarHBondContact O-N 3.33Å; V58-L72 HydrophobicContact CG2-CD1 3.92Å; V58-F79 HydrophobicContact CG2-CE1 4.02Å; V58-F79 HydrophobicContact CG2-CZ 4.2Å; V58-T96 WeakPolarHBondContact CA-O 3.42Å; V58-F98 HydrophobicContact CG1-CD2 3.6Å; V58-F98 HydrophobicContact CG1-CE2 3.59Å; V58-F106 HydrophobicContact CB-CE1 4.15Å; V58-F106 HydrophobicContact CB-CZ 4.12Å; V58-F106 HydrophobicContact CG1-CE1 3.73Å; V58-F106 HydrophobicContact CG1-CE2 4.25Å; V58-F106 HydrophobicContact CG1-CZ 3.58Å; V58-F106 HydrophobicContact CG2-CZ 4.32Å
59L90.6Very high89.4Confident63 Ų6363.4 Ų63.433%0.3331%0.313SS..EExtended strand (participates in β ladder)trans-98.9131.1172.1-66.691000109.2Q63 L64 T96 S97 F98L59-Q63 CarbonylContact C-O 3.56Å; L59-Q63 WeakPolarHBondContact CA-O 3.27Å; L59-L64 HydrophobicContact CD1-CD1 4.1Å; L59-L64 HydrophobicContact CG-CD1 4.09Å; L59-T96 PolarHBondContact N-O 3.05Å; L59-S97 CarbonylContact O-C 3.57Å; L59-S97 VanDerWaalsContact O-CA 3.32Å; L59-S97 WeakPolarHBondContact O-CA 3.44Å; L59-F98 PolarHBondContact O-N 3.48Å
60V91.9Very high89.3Confident0 Ų062.4 Ų62.40%032%0.319CS..EExtended strand (participates in β ladder)trans-128.5116.6174.2-171.90000107.6V58 G62 Q63 F65 F98 F101 P103 F106V58-V60 HydrophobicContact CG1-CG2 3.98Å; V60-G62 PolarHBondContact O-N 3.04Å; V60-Q63 PolarHBondContact N-O 3.47Å; V60-Q63 WeakPolarHBondContact O-CB 3.35Å; V60-Q63 PolarHBondContact O-N 3.18Å; V60-F65 HydrophobicContact CB-CD2 4.45Å; V60-F65 HydrophobicContact CB-CE2 4.04Å; V60-F65 HydrophobicContact CG2-CD2 4.03Å; V60-F65 HydrophobicContact CG2-CE2 4Å; V60-F98 WeakPolarHBondContact CA-O 3.31Å; V60-F98 HydrophobicContact CG1-CB 4.5Å; V60-F98 HydrophobicContact CG2-CB 4.37Å; V60-F98 HydrophobicContact CG2-CD2 4.34Å; V60-F101 HydrophobicContact CG1-CD2 3.85Å; V60-F101 HydrophobicContact CG1-CE2 3.83Å; V60-F101 WeakPolarHBondContact CG1-O 3.45Å; V60-F101 HydrophobicContact CG2-CE2 4.07Å; V60-P103 HydrophobicContact CG1-CG 4.29Å; V60-F106 HydrophobicContact CG1-CB 4.35Å; V60-F106 HydrophobicContact CG2-CB 3.94Å; V60-F106 HydrophobicContact CG2-CD1 3.69Å; V60-F106 HydrophobicContact CG2-CD2 4.28Å; V60-F106 HydrophobicContact CG2-CE1 4.27Å; V60-F106 HydrophobicContact CG2-CG 3.69Å
61E86.6Confident89.3Confident119 Ų11957.3 Ų57.356%0.55630%0.297SS*.THydrogen-bonded Turntrans49.131.6-176.6-57.7-174.6167.800113.8F98 P103E61-F98 PolarHBondContact N-O 3.34Å; E61-P103 HydrophobicContact CB-CG 4.07Å; E61-P103 VanDerWaalsContact OE2-CD 3.27Å; E61-P103 WeakPolarHBondContact OE2-CD 3.37Å
62G82.7Confident89.4Confident67 Ų6751.9 Ų51.969%0.69127%0.271SS*.THydrogen-bonded Turntrans90.3-12.7-177.200000115.7V60V60-G62 PolarHBondContact O-N 3.04Å
63Q89.8Confident89.6Confident94 Ų9451.5 Ų51.544%0.43927%0.266SS..EExtended strand (participates in β ladder)trans-79127.4173.6-177169.4-26.300111.1L59 V60 F65 P103L59-Q63 CarbonylContact C-O 3.56Å; L59-Q63 WeakPolarHBondContact CA-O 3.27Å; V60-Q63 PolarHBondContact N-O 3.47Å; V60-Q63 WeakPolarHBondContact O-CB 3.35Å; V60-Q63 PolarHBondContact O-N 3.18Å; Q63-F65 HydrophobicContact CB-CE2 4.04Å; Q63-F65 HydrophobicContact CG-CD2 4.41Å; Q63-F65 HydrophobicContact CG-CE2 3.7Å; Q63-F65 HydrophobicContact CG-CZ 3.85Å; Q63-F65 WeakPolarHBondContact O-CD2 3.29Å; Q63-P103 HydrophobicContact CB-CB 4.26Å; Q63-P103 HydrophobicContact CB-CG 4.28Å
64L90.7Very high89.7Confident87 Ų8746.8 Ų46.846%0.45526%0.264SS..EExtended strand (participates in β ladder)trans-89.7129.9-179.3178.364.3000112.1N57 L59N57-L64 HydrophobicContact CB-CD1 3.81Å; L59-L64 HydrophobicContact CD1-CD1 4.1Å; L59-L64 HydrophobicContact CG-CD1 4.09Å
65F92.1Very high89.8Confident23 Ų2348.2 Ų48.210%0.10127%0.274CS..EExtended strand (participates in β ladder)trans-120.2124.5173.3-63.2-88.9000110V58 V60 Q63 P103 F106 T107 L110V58-F65 HydrophobicContact CB-CB 4.33Å; V58-F65 PolarHBondContact N-O 3.24Å; V58-F65 PolarHBondContact O-N 3.33Å; V60-F65 HydrophobicContact CB-CD2 4.45Å; V60-F65 HydrophobicContact CB-CE2 4.04Å; V60-F65 HydrophobicContact CG2-CD2 4.03Å; V60-F65 HydrophobicContact CG2-CE2 4Å; Q63-F65 HydrophobicContact CB-CE2 4.04Å; Q63-F65 HydrophobicContact CG-CD2 4.41Å; Q63-F65 HydrophobicContact CG-CE2 3.7Å; Q63-F65 HydrophobicContact CG-CZ 3.85Å; Q63-F65 WeakPolarHBondContact O-CD2 3.29Å; F65-P103 HydrophobicContact CE2-CB 4.28Å; F65-P103 HydrophobicContact CZ-CB 4.15Å; F65-F106 HydrophobicContact CB-CD1 4.4Å; F65-F106 HydrophobicContact CB-CE1 3.9Å; F65-F106 HydrophobicContact CD1-CD1 4.16Å; F65-F106 HydrophobicContact CD1-CE1 4.37Å; F65-F106 AromaticContact CD2-CD1 3.66Å; F65-F106 HydrophobicContact CD2-CD1 3.66Å; F65-F106 AromaticContact CD2-CE1 3.97Å; F65-F106 HydrophobicContact CD2-CE1 3.97Å; F65-F106 HydrophobicContact CE1-CD1 4.34Å; F65-F106 AromaticContact CE2-CD1 3.86Å; F65-F106 HydrophobicContact CE2-CD1 3.86Å; F65-F106 AromaticContact CG-CD1 3.81Å; F65-F106 HydrophobicContact CG-CD1 3.81Å; F65-F106 AromaticContact CG-CE1 3.82Å; F65-F106 HydrophobicContact CG-CE1 3.82Å; F65-F106 HydrophobicContact CZ-CD1 4.18Å; F65-T107 HydrophobicContact CE1-CG2 3.61Å; F65-T107 HydrophobicContact CZ-CG2 3.82Å; F65-L110 HydrophobicContact CB-CD2 4.23Å; F65-L110 HydrophobicContact CD1-CD2 4.01Å; F65-L110 HydrophobicContact CG-CD2 4.46Å
66K91.4Very high90.1Very high69 Ų6945.6 Ų45.630%0.326%0.26SS..EExtended strand (participates in β ladder)trans-92.2138.1173.8-63.7-173.7-170.4156.80110.5E51 C54E51-K66 HydrophobicContact CB-CD 4.19Å; E51-K66 HydrophobicContact CG-CD 4.13Å; E51-K66 VanDerWaalsContact OE1-CD 3.29Å; E51-K66 WeakPolarHBondContact OE1-CD 3.42Å; E51-K66 VanDerWaalsContact OE1-CE 3.29Å; E51-K66 WeakPolarHBondContact OE1-CE 3.32Å; E51-K66 IonicContact OE1-NZ 3.71Å; E51-K66 PolarHBondContact OE1-NZ 3.06Å; E51-K66 IonicContact OE2-NZ 2.73Å; E51-K66 PolarHBondContact OE2-NZ 2.7Å; C54-K66 HydrophobicContact CB-CB 3.89Å
67A92.1Very high90.1Very high1 Ų146.9 Ų46.91%0.00827%0.274CS..EExtended strand (participates in β ladder)trans-153.2161.1-179.400000112.4D55 C56 L72 L110D55-A67 PolarHBondContact N-O 3.47Å; C56-A67 WeakPolarHBondContact CB-O 3.29Å; C56-A67 PolarHBondContact N-O 2.83Å; C56-A67 PolarHBondContact O-N 3.48Å; A67-L72 HydrophobicContact CB-CD1 3.81Å; A67-L72 HydrophobicContact CB-CD2 4.47Å; A67-L72 HydrophobicContact CB-CG 4.11Å; A67-L110 HydrophobicContact CB-CD1 4.4Å
68H91.2Very high90.1Very high14 Ų1447.1 Ų47.17%0.06527%0.273CS..  trans-77.8120.7167.6-48.490.1000110.3L44 L52 F53 D55 N70 V71 L72 Y114L44-H68 PolarHBondContact O-CE1 3.47Å; L52-H68 PolarHBondContact O-NE2 2.78Å; F53-H68 PolarHBondContact O-CD2 2.83Å; F53-H68 VanDerWaalsContact O-CD2 3.32Å; D55-H68 WeakPolarHBondContact OD1-CA 3.39Å; H68-N70 VanDerWaalsContact C-N 3.27Å; H68-N70 PolarHBondContact O-N 3.3Å; H68-V71 HydrophobicContact CB-CB 4.33Å; H68-V71 HydrophobicContact CB-CG2 3.88Å; H68-V71 PolarHBondContact O-N 2.86Å; H68-V71 VanDerWaalsContact O-N 3.1Å; H68-L72 PolarHBondContact O-N 3.17Å; H68-Y114 WeakPolarHBondContact CB-OH 3.47Å; H68-Y114 PolarHBondContact N-OH 3.41Å; H68-Y114 AromaticContact ND1-CE1 3.5Å; H68-Y114 WeakPolarHBondContact ND1-CE1 3.35Å; H68-Y114 AromaticContact ND1-CZ 3.66Å; H68-Y114 PolarHBondContact ND1-OH 3.39Å
69R88.7Confident90.1Very high54 Ų5447.1 Ų47.120%0.20427%0.273CS..Hα-helixtrans-50.6-44.7176.2-177.4-174.5178.4156.11.1112.5D55 C56 V71 L72 F73 L83 G86D55-R69 VanDerWaalsContact CG-CB 3.41Å; D55-R69 VanDerWaalsContact OD1-CB 3.22Å; D55-R69 WeakPolarHBondContact OD1-CB 3.06Å; D55-R69 PolarHBondContact OD1-N 2.97Å; D55-R69 WeakPolarHBondContact OD2-CB 3.5Å; D55-R69 WeakPolarHBondContact OD2-CD 3.42Å; C56-R69 HydrophobicContact CB-CB 4.12Å; R69-V71 VanDerWaalsContact C-N 3.29Å; R69-V71 PolarHBondContact O-N 2.95Å; R69-L72 PolarHBondContact O-N 2.86Å; R69-F73 WeakPolarHBondContact O-CB 3.32Å; R69-F73 PolarHBondContact O-N 2.8Å; R69-L83 HydrophobicContact CG-CB 4.12Å; R69-L83 HydrophobicContact CG-CD1 3.99Å; R69-L83 HydrophobicContact CG-CD2 4.36Å; R69-L83 HydrophobicContact CG-CG 4.37Å; R69-L83 PolarHBondContact NE-O 2.89Å; R69-L83 PolarHBondContact NH2-O 3.09Å; R69-G86 VanDerWaalsContact CZ-O 3.22Å; R69-G86 PolarHBondContact NH1-O 2.77Å; R69-G86 PolarHBondContact NH2-O 3.25Å
70N88.7Confident90Very high124 Ų12448.7 Ų48.766%0.66327%0.274SS*.Hα-helixtrans-61.7-35.5-178.6-71.5-37.7000112.8H68 G74H68-N70 VanDerWaalsContact C-N 3.27Å; H68-N70 PolarHBondContact O-N 3.3Å; N70-G74 PolarHBondContact O-N 2.8Å; N70-G74 VanDerWaalsContact O-N 3.13Å
71V91Very high89.8Confident20 Ų2052.6 Ų52.612%0.12129%0.293CS..Hα-helixtrans-74.4-45.2179.6-177.60000110L44 H68 R69 G74 S75 I113 Y114L44-V71 HydrophobicContact CD1-CG2 4.11Å; H68-V71 HydrophobicContact CB-CB 4.33Å; H68-V71 HydrophobicContact CB-CG2 3.88Å; H68-V71 PolarHBondContact O-N 2.86Å; H68-V71 VanDerWaalsContact O-N 3.1Å; R69-V71 VanDerWaalsContact C-N 3.29Å; R69-V71 PolarHBondContact O-N 2.95Å; V71-G74 PolarHBondContact O-N 3.09Å; V71-S75 WeakPolarHBondContact O-CB 3.39Å; V71-S75 PolarHBondContact O-N 3.47Å; V71-S75 VanDerWaalsContact O-N 3.1Å; V71-S75 PolarHBondContact O-OG 3.36Å; V71-I113 HydrophobicContact CG1-CG2 3.54Å; V71-Y114 HydrophobicContact CB-CE1 4.38Å; V71-Y114 HydrophobicContact CB-CE2 4.46Å; V71-Y114 HydrophobicContact CG1-CD2 4.44Å; V71-Y114 HydrophobicContact CG1-CE1 4.1Å; V71-Y114 HydrophobicContact CG1-CE2 3.96Å; V71-Y114 HydrophobicContact CG2-CE1 4.21Å
72L91.5Very high89.7Confident0 Ų049.5 Ų49.50%028%0.281CS..Hα-helixtrans-62.3-43.8174.7-64-176.5000112.4V58 A67 H68 R69 G74 S75 S76 F79 L83 L110 I113V58-L72 HydrophobicContact CG2-CD1 3.92Å; A67-L72 HydrophobicContact CB-CD1 3.81Å; A67-L72 HydrophobicContact CB-CD2 4.47Å; A67-L72 HydrophobicContact CB-CG 4.11Å; H68-L72 PolarHBondContact O-N 3.17Å; R69-L72 PolarHBondContact O-N 2.86Å; L72-G74 VanDerWaalsContact C-N 3.28Å; L72-G74 PolarHBondContact O-N 3.3Å; L72-S75 PolarHBondContact O-N 3.43Å; L72-S76 PolarHBondContact O-N 3.02Å; L72-F79 HydrophobicContact CB-CB 4.05Å; L72-F79 HydrophobicContact CB-CD1 4.44Å; L72-F79 HydrophobicContact CB-CD2 4.03Å; L72-F79 HydrophobicContact CB-CG 3.94Å; L72-F79 HydrophobicContact CD1-CD1 4.32Å; L72-F79 HydrophobicContact CD1-CE1 4.2Å; L72-F79 HydrophobicContact CD1-CE2 4.47Å; L72-F79 HydrophobicContact CD1-CZ 4.29Å; L72-F79 HydrophobicContact CD2-CD2 4.18Å; L72-F79 HydrophobicContact CD2-CE2 4.07Å; L72-F79 HydrophobicContact CG-CD2 4.49Å; L72-F79 WeakPolarHBondContact O-CB 3.38Å; L72-L83 HydrophobicContact CB-CD1 3.94Å; L72-L110 HydrophobicContact CD2-CD1 4.01Å; L72-I113 HydrophobicContact CD2-CD1 4.09Å; L72-I113 HydrophobicContact CD2-CG2 4.45Å
73F91.1Very high89.7Confident71 Ų7146.4 Ų46.431%0.31125%0.248SC..Hα-helixtrans-62.1-32177.7-177.9-84.7000113R69 R80 L83R69-F73 WeakPolarHBondContact O-CB 3.32Å; R69-F73 PolarHBondContact O-N 2.8Å; F73-R80 HydrophobicContact CD1-CG 3.86Å; F73-R80 HydrophobicContact CD2-CB 4.24Å; F73-R80 HydrophobicContact CD2-CG 3.65Å; F73-R80 HydrophobicContact CE1-CG 3.67Å; F73-R80 HydrophobicContact CE2-CB 4.38Å; F73-R80 HydrophobicContact CE2-CG 3.45Å; F73-R80 VanDerWaalsContact CE2-CG 3.45Å; F73-R80 HydrophobicContact CG-CB 4.48Å; F73-R80 HydrophobicContact CG-CG 3.84Å; F73-R80 HydrophobicContact CZ-CG 3.47Å; F73-R80 VanDerWaalsContact CZ-CG 3.47Å; F73-R80 WeakPolarHBondContact O-CG 3.38Å; F73-L83 HydrophobicContact CD2-CB 4.18Å
74G88.8Confident89.1Confident65 Ų6544.8 Ų44.867%0.6725%0.247SC*.Hα-helixtrans-77-37.3174.900000113.7N70 V71 L72N70-G74 PolarHBondContact O-N 2.8Å; N70-G74 VanDerWaalsContact O-N 3.13Å; V71-G74 PolarHBondContact O-N 3.09Å; L72-G74 VanDerWaalsContact C-N 3.28Å; L72-G74 PolarHBondContact O-N 3.3Å
75S90.7Very high87.8Confident52 Ų5246 Ų4636%0.36425%0.25SS..Hα-helixtrans-90.6-15.7-169-62.60000115.6V71 L72V71-S75 WeakPolarHBondContact O-CB 3.39Å; V71-S75 PolarHBondContact O-N 3.47Å; V71-S75 VanDerWaalsContact O-N 3.1Å; V71-S75 PolarHBondContact O-OG 3.36Å; L72-S75 PolarHBondContact O-N 3.43Å
76S92.4Very high85.9Confident3 Ų346.5 Ų46.52%0.02126%0.262CS..  trans-139.3129.8-174.6158.90000111.9L72 Y78 F79 R80 L135L72-S76 PolarHBondContact O-N 3.02Å; S76-Y78 PolarHBondContact O-N 3.47Å; S76-Y78 PolarHBondContact OG-N 3.01Å; S76-F79 PolarHBondContact O-N 3.37Å; S76-F79 PolarHBondContact OG-N 2.66Å; S76-R80 WeakPolarHBondContact O-CB 3.5Å; S76-R80 PolarHBondContact O-N 2.68Å; S76-L135 WeakPolarHBondContact CB-O 3.45Å; S76-L135 PolarHBondContact OG-O 3.24Å
77G88.9Confident83.8Confident28 Ų2847 Ų4729%0.28928%0.279SS..Hα-helixtrans-62.3-33.7174.600000112.9R80 M81G77-R80 WeakPolarHBondContact O-CB 3.22Å; G77-R80 PolarHBondContact O-N 2.97Å; G77-M81 PolarHBondContact O-N 3.49Å
78Y91.1Very high81.7Confident35 Ų3554 Ų5414%0.13732%0.316CS..Hα-helixtrans-72.1-48.8177.7-176.5-82000112.3S76 R80 M81 L82 F98 Y134 L135S76-Y78 PolarHBondContact O-N 3.47Å; S76-Y78 PolarHBondContact OG-N 3.01Å; Y78-R80 PolarHBondContact O-N 2.89Å; Y78-M81 HydrophobicContact CD2-CE 3.96Å; Y78-M81 HydrophobicContact CE2-CE 3.84Å; Y78-M81 WeakPolarHBondContact O-CA 3.32Å; Y78-M81 WeakPolarHBondContact O-CB 3.49Å; Y78-M81 PolarHBondContact O-N 2.85Å; Y78-L82 HydrophobicContact CD1-CD1 4.27Å; Y78-L82 HydrophobicContact CD1-CG 4.28Å; Y78-L82 HydrophobicContact CE1-CD1 3.44Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.44Å; Y78-L82 HydrophobicContact CE1-CD2 4.35Å; Y78-L82 HydrophobicContact CE1-CG 3.7Å; Y78-L82 PolarHBondContact O-N 3.37Å; Y78-F98 HydrophobicContact CD1-CE1 4.39Å; Y78-F98 HydrophobicContact CD1-CZ 4.46Å; Y78-F98 AromaticContact CE1-CE1 3.51Å; Y78-F98 HydrophobicContact CE1-CE1 3.51Å; Y78-F98 AromaticContact CE1-CZ 3.8Å; Y78-F98 HydrophobicContact CE1-CZ 3.8Å; Y78-Y134 HydrophobicContact CD1-CE1 4.47Å; Y78-Y134 HydrophobicContact CD2-CE1 4.28Å; Y78-Y134 HydrophobicContact CE1-CE1 4.03Å; Y78-Y134 AromaticContact CE2-CE1 3.79Å; Y78-Y134 HydrophobicContact CE2-CE1 3.79Å; Y78-Y134 AromaticContact CE2-CZ 3.94Å; Y78-Y134 AromaticContact CZ-CE1 3.66Å; Y78-Y134 AromaticContact CZ-CZ 3.94Å; Y78-Y134 PolarHBondContact OH-OH 2.76Å; Y78-Y134 VanDerWaalsContact OH-OH 3.09Å; Y78-L135 HydrophobicContact CD1-CD2 3.93Å; Y78-L135 HydrophobicContact CG-CD2 4.4Å; Y78-L135 PolarHBondContact N-O 3.38Å
79F90.3Very high79.9Confident0 Ų061.6 Ų61.60%036%0.357CS..Hα-helixtrans-61.1-34.1173.1-79.2-57.2000111.3V58 L72 S76 M81 L82 L83 F98 F106 L135V58-F79 HydrophobicContact CG2-CE1 4.02Å; V58-F79 HydrophobicContact CG2-CZ 4.2Å; L72-F79 HydrophobicContact CB-CB 4.05Å; L72-F79 HydrophobicContact CB-CD1 4.44Å; L72-F79 HydrophobicContact CB-CD2 4.03Å; L72-F79 HydrophobicContact CB-CG 3.94Å; L72-F79 HydrophobicContact CD1-CD1 4.32Å; L72-F79 HydrophobicContact CD1-CE1 4.2Å; L72-F79 HydrophobicContact CD1-CE2 4.47Å; L72-F79 HydrophobicContact CD1-CZ 4.29Å; L72-F79 HydrophobicContact CD2-CD2 4.18Å; L72-F79 HydrophobicContact CD2-CE2 4.07Å; L72-F79 HydrophobicContact CG-CD2 4.49Å; L72-F79 WeakPolarHBondContact O-CB 3.38Å; S76-F79 PolarHBondContact O-N 3.37Å; S76-F79 PolarHBondContact OG-N 2.66Å; F79-M81 PolarHBondContact O-N 2.76Å; F79-L82 PolarHBondContact O-N 2.79Å; F79-L83 HydrophobicContact CB-CD1 4.06Å; F79-L83 HydrophobicContact CD1-CD1 4.3Å; F79-L83 WeakPolarHBondContact O-CB 3.25Å; F79-L83 VanDerWaalsContact O-CG 3.25Å; F79-L83 WeakPolarHBondContact O-CG 3.39Å; F79-L83 PolarHBondContact O-N 3.45Å; F79-F98 AromaticContact CE1-CE2 3.78Å; F79-F98 HydrophobicContact CE1-CE2 3.78Å; F79-F98 AromaticContact CE1-CZ 3.8Å; F79-F98 HydrophobicContact CE1-CZ 3.8Å; F79-F98 AromaticContact CZ-CE2 3.96Å; F79-F98 HydrophobicContact CZ-CE2 3.96Å; F79-F98 HydrophobicContact CZ-CZ 4.17Å; F79-F106 HydrophobicContact CE2-CE2 4.16Å; F79-F106 AromaticContact CZ-CE2 3.9Å; F79-F106 HydrophobicContact CZ-CE2 3.9Å; F79-F106 HydrophobicContact CZ-CZ 4.07Å; F79-L135 HydrophobicContact CD2-CD2 4.27Å; F79-L135 HydrophobicContact CE2-CD1 4.31Å; F79-L135 HydrophobicContact CE2-CD2 3.85Å; F79-L135 HydrophobicContact CZ-CD2 4.14Å
80R88.3Confident78Confident97 Ų9765.6 Ų65.637%0.36638%0.383SS..Hα-helixtrans-62.2-28.1172.9-150.517779.391.23.9113.8F73 S76 G77 Y78 S84 T322F73-R80 HydrophobicContact CD1-CG 3.86Å; F73-R80 HydrophobicContact CD2-CB 4.24Å; F73-R80 HydrophobicContact CD2-CG 3.65Å; F73-R80 HydrophobicContact CE1-CG 3.67Å; F73-R80 HydrophobicContact CE2-CB 4.38Å; F73-R80 HydrophobicContact CE2-CG 3.45Å; F73-R80 VanDerWaalsContact CE2-CG 3.45Å; F73-R80 HydrophobicContact CG-CB 4.48Å; F73-R80 HydrophobicContact CG-CG 3.84Å; F73-R80 HydrophobicContact CZ-CG 3.47Å; F73-R80 VanDerWaalsContact CZ-CG 3.47Å; F73-R80 WeakPolarHBondContact O-CG 3.38Å; S76-R80 WeakPolarHBondContact O-CB 3.5Å; S76-R80 PolarHBondContact O-N 2.68Å; G77-R80 WeakPolarHBondContact O-CB 3.22Å; G77-R80 PolarHBondContact O-N 2.97Å; Y78-R80 PolarHBondContact O-N 2.89Å; R80-S84 WeakPolarHBondContact O-CB 3.22Å; R80-S84 PolarHBondContact O-OG 3.1Å; R80-T322 VanDerWaalsContact NH2-CG2 3.3Å; R80-T322 PolarHBondContact NH2-OG1 3.41Å
81M87.7Confident76.4Confident81 Ų8164.8 Ų64.840%0.39939%0.393SS..Hα-helixtrans-80.8-43176178.4-171.271.700112.4G77 Y78 F79 S84 H85G77-M81 PolarHBondContact O-N 3.49Å; Y78-M81 HydrophobicContact CD2-CE 3.96Å; Y78-M81 HydrophobicContact CE2-CE 3.84Å; Y78-M81 WeakPolarHBondContact O-CA 3.32Å; Y78-M81 WeakPolarHBondContact O-CB 3.49Å; Y78-M81 PolarHBondContact O-N 2.85Å; F79-M81 PolarHBondContact O-N 2.76Å; M81-S84 PolarHBondContact O-OG 3.15Å; M81-S84 VanDerWaalsContact O-OG 3.06Å; M81-H85 PolarHBondContact O-CE1 3.23Å; M81-H85 PolarHBondContact O-ND1 3.47Å
82L84.3Confident74.9Confident55 Ų5571.1 Ų71.129%0.28842%0.421SS..Hα-helixtrans-66.8-55175.4-67-167.7000110.9Y78 F79 S84 H85 T96 F98Y78-L82 HydrophobicContact CD1-CD1 4.27Å; Y78-L82 HydrophobicContact CD1-CG 4.28Å; Y78-L82 HydrophobicContact CE1-CD1 3.44Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.44Å; Y78-L82 HydrophobicContact CE1-CD2 4.35Å; Y78-L82 HydrophobicContact CE1-CG 3.7Å; Y78-L82 PolarHBondContact O-N 3.37Å; F79-L82 PolarHBondContact O-N 2.79Å; L82-S84 PolarHBondContact O-N 3.08Å; L82-S84 VanDerWaalsContact O-N 3.09Å; L82-H85 PolarHBondContact O-N 2.96Å; L82-H85 VanDerWaalsContact O-N 3.16Å; L82-T96 HydrophobicContact CB-CG2 4.44Å; L82-T96 HydrophobicContact CD1-CG2 3.74Å; L82-F98 HydrophobicContact CD1-CZ 4.12Å
83L82.7Confident73.6Confident1 Ų173.3 Ų73.31%0.00544%0.436CS..THydrogen-bonded Turntrans-75.50.2-170.7-54.9172.4000113.4R69 L72 F73 F79 V94R69-L83 HydrophobicContact CG-CB 4.12Å; R69-L83 HydrophobicContact CG-CD1 3.99Å; R69-L83 HydrophobicContact CG-CD2 4.36Å; R69-L83 HydrophobicContact CG-CG 4.37Å; R69-L83 PolarHBondContact NE-O 2.89Å; R69-L83 PolarHBondContact NH2-O 3.09Å; L72-L83 HydrophobicContact CB-CD1 3.94Å; F73-L83 HydrophobicContact CD2-CB 4.18Å; F79-L83 HydrophobicContact CB-CD1 4.06Å; F79-L83 HydrophobicContact CD1-CD1 4.3Å; F79-L83 WeakPolarHBondContact O-CB 3.25Å; F79-L83 VanDerWaalsContact O-CG 3.25Å; F79-L83 WeakPolarHBondContact O-CG 3.39Å; F79-L83 PolarHBondContact O-N 3.45Å; L83-V94 HydrophobicContact CD2-CB 4.32Å; L83-V94 HydrophobicContact CD2-CG1 3.73Å
84S78.6Confident72.8Confident60 Ų6071.5 Ų71.542%0.4243%0.431SS..THydrogen-bonded Turntrans-81.6-9.1168.567.60000114.3R80 M81 L82R80-S84 WeakPolarHBondContact O-CB 3.22Å; R80-S84 PolarHBondContact O-OG 3.1Å; M81-S84 PolarHBondContact O-OG 3.15Å; M81-S84 VanDerWaalsContact O-OG 3.06Å; L82-S84 PolarHBondContact O-N 3.08Å; L82-S84 VanDerWaalsContact O-N 3.09Å
85H61.8Low72.1Confident114 Ų11472.5 Ų72.553%0.52843%0.427SS..THydrogen-bonded Turntrans-104-27.5-172.9-68.492.9000114.6M81 L82 A87M81-H85 PolarHBondContact O-CE1 3.23Å; M81-H85 PolarHBondContact O-ND1 3.47Å; L82-H85 PolarHBondContact O-N 2.96Å; L82-H85 VanDerWaalsContact O-N 3.16Å; H85-A87 PolarHBondContact O-N 2.67Å
86G53.1Low71.7Confident33 Ų3370.9 Ų70.934%0.3442%0.415SS..  trans-85.480.1179.300000113.2R69R69-G86 VanDerWaalsContact CZ-O 3.22Å; R69-G86 PolarHBondContact NH1-O 2.77Å; R69-G86 PolarHBondContact NH2-O 3.25Å
87A47.5Very low71.3Confident80 Ų8075 Ų7566%0.66144%0.444SS*.  trans-135.425.5179.600000113.5H85H85-A87 PolarHBondContact O-N 2.67Å
88D48.2Very low71.1Confident146 Ų14673.9 Ų73.978%0.78143%0.431SS*.SBendtrans-80.1145.2163.2-60.5-50.6000109.3N90D88-N90 PolarHBondContact O-N 3.21Å
89D51.8Low70.7Confident174 Ų17480.3 Ų80.393%0.9346%0.462SS*.SBendtrans-73.339-165.2-68.3-61.7000116
90N50.3Low70.4Confident139 Ų13984.5 Ų84.574%0.74349%0.488SS*.  trans-90.9131.6168.8-87.1-16000110.9D88 E92D88-N90 PolarHBondContact O-N 3.21Å; N90-E92 PolarHBondContact O-N 3.3Å
91A55.5Low70.4Confident107 Ų10780.5 Ų80.588%0.88447%0.473SS*.  trans-76.519-177.900000114.8
92E58.8Low70.6Confident152 Ų15277.9 Ų77.971%0.7146%0.462SS*.SBendtrans-87.5135.7-179.5-69.3-61.4144.300110.9N90 V94N90-E92 PolarHBondContact O-N 3.3Å; E92-V94 PolarHBondContact O-N 3.37Å
93P63.8Low71Confident46 Ų4676 Ų7630%0.29945%0.454SS..  trans-64131.5179.626.3-34.7000111.2D55 N57 S95D55-P93 WeakPolarHBondContact O-CA 3.38Å; N57-P93 VanDerWaalsContact ND2-CG 3.28Å; N57-P93 WeakPolarHBondContact ND2-CG 3.43Å; P93-S95 PolarHBondContact O-N 2.88Å
94V73.8Confident71.4Confident34 Ų3481.5 Ų81.521%0.20648%0.483CS..EExtended strand (participates in β ladder)trans-64.4109.6-173-179.30000109.9D55 C56 N57 L83 E92D55-V94 PolarHBondContact O-N 2.96Å; C56-V94 WeakPolarHBondContact CA-O 3.47Å; C56-V94 PolarHBondContact SG-O 2.87Å; N57-V94 PolarHBondContact N-O 3.39Å; L83-V94 HydrophobicContact CD2-CB 4.32Å; L83-V94 HydrophobicContact CD2-CG1 3.73Å; E92-V94 PolarHBondContact O-N 3.37Å
95S75.7Confident72.1Confident86 Ų8679 Ų7960%0.60147%0.465SS*.EExtended strand (participates in β ladder)trans-89138.4-179.4550000112.4N57 P93N57-S95 CarbonylContact O-C 3.48Å; N57-S95 VanDerWaalsContact O-CA 3.29Å; N57-S95 WeakPolarHBondContact O-CA 3.38Å; P93-S95 PolarHBondContact O-N 2.88Å
96T80.4Confident73.6Confident18 Ų1873.6 Ų73.611%0.1144%0.44CS..EExtended strand (participates in β ladder)trans-142146.8175.855.80000109.1N57 V58 L59 L82N57-T96 PolarHBondContact O-N 2.96Å; N57-T96 PolarHBondContact O-OG1 3.13Å; V58-T96 WeakPolarHBondContact CA-O 3.42Å; L59-T96 PolarHBondContact N-O 3.05Å; L82-T96 HydrophobicContact CB-CG2 4.44Å; L82-T96 HydrophobicContact CD1-CG2 3.74Å
97S84.6Confident75.5Confident89 Ų8974.2 Ų74.262%0.62244%0.437SS*.EExtended strand (participates in β ladder)trans-128.3144.6-175.955.80000113L59L59-S97 CarbonylContact O-C 3.57Å; L59-S97 VanDerWaalsContact O-CA 3.32Å; L59-S97 WeakPolarHBondContact O-CA 3.44Å
98F85.5Confident77.7Confident5 Ų571.9 Ų71.92%0.02242%0.415CS..EExtended strand (participates in β ladder)trans-134.9136.8-178.1-60.4-71.7000111.9V58 L59 V60 E61 Y78 F79 L82 F101 Y134V58-F98 HydrophobicContact CG1-CD2 3.6Å; V58-F98 HydrophobicContact CG1-CE2 3.59Å; L59-F98 PolarHBondContact O-N 3.48Å; V60-F98 WeakPolarHBondContact CA-O 3.31Å; V60-F98 HydrophobicContact CG1-CB 4.5Å; V60-F98 HydrophobicContact CG2-CB 4.37Å; V60-F98 HydrophobicContact CG2-CD2 4.34Å; E61-F98 PolarHBondContact N-O 3.34Å; Y78-F98 HydrophobicContact CD1-CE1 4.39Å; Y78-F98 HydrophobicContact CD1-CZ 4.46Å; Y78-F98 AromaticContact CE1-CE1 3.51Å; Y78-F98 HydrophobicContact CE1-CE1 3.51Å; Y78-F98 AromaticContact CE1-CZ 3.8Å; Y78-F98 HydrophobicContact CE1-CZ 3.8Å; F79-F98 AromaticContact CE1-CE2 3.78Å; F79-F98 HydrophobicContact CE1-CE2 3.78Å; F79-F98 AromaticContact CE1-CZ 3.8Å; F79-F98 HydrophobicContact CE1-CZ 3.8Å; F79-F98 AromaticContact CZ-CE2 3.96Å; F79-F98 HydrophobicContact CZ-CE2 3.96Å; F79-F98 HydrophobicContact CZ-CZ 4.17Å; L82-F98 HydrophobicContact CD1-CZ 4.12Å; F98-F101 HydrophobicContact CB-CE1 4.39Å; F98-F101 HydrophobicContact CB-CE2 4.08Å; F98-F101 HydrophobicContact CB-CZ 3.79Å; F98-F101 HydrophobicContact CD1-CE1 4.31Å; F98-F101 HydrophobicContact CD1-CZ 4.03Å; F98-F101 HydrophobicContact CD2-CZ 4.16Å; F98-F101 HydrophobicContact CG-CE1 4.37Å; F98-F101 HydrophobicContact CG-CE2 4.36Å; F98-F101 AromaticContact CG-CZ 3.7Å; F98-F101 HydrophobicContact CG-CZ 3.7Å; F98-Y134 AromaticContact CD1-CE1 3.91Å; F98-Y134 HydrophobicContact CD1-CE1 3.91Å; F98-Y134 AromaticContact CE1-CE1 3.83Å; F98-Y134 HydrophobicContact CE1-CE1 3.83Å
99E83.3Confident79.9Confident170 Ų17064.9 Ų64.979%0.79438%0.378SS*.  trans-132.424179-60.2176.6177.200110.3
100V82.9Confident81.8Confident87 Ų8756.7 Ų56.753%0.52733%0.334SS..SBendtrans-112-14.1-167.8-172.90000112.5Y134V100-Y134 HydrophobicContact CB-CE2 4.37Å; V100-Y134 HydrophobicContact CG1-CD2 3.84Å; V100-Y134 HydrophobicContact CG1-CE2 4.01Å; V100-Y134 HydrophobicContact CG1-CG 4.4Å; V100-Y134 HydrophobicContact CG2-CE2 3.99Å
101F88.7Confident83.8Confident13 Ų1352.3 Ų52.36%0.05731%0.31CS..SBendtrans-155.4153.3-178.846-103.3000109.9V60 F98 T105 F106 A131 Y134 L135V60-F101 HydrophobicContact CG1-CD2 3.85Å; V60-F101 HydrophobicContact CG1-CE2 3.83Å; V60-F101 WeakPolarHBondContact CG1-O 3.45Å; V60-F101 HydrophobicContact CG2-CE2 4.07Å; F98-F101 HydrophobicContact CB-CE1 4.39Å; F98-F101 HydrophobicContact CB-CE2 4.08Å; F98-F101 HydrophobicContact CB-CZ 3.79Å; F98-F101 HydrophobicContact CD1-CE1 4.31Å; F98-F101 HydrophobicContact CD1-CZ 4.03Å; F98-F101 HydrophobicContact CD2-CZ 4.16Å; F98-F101 HydrophobicContact CG-CE1 4.37Å; F98-F101 HydrophobicContact CG-CE2 4.36Å; F98-F101 AromaticContact CG-CZ 3.7Å; F98-F101 HydrophobicContact CG-CZ 3.7Å; F101-T105 HydrophobicContact CB-CG2 4.31Å; F101-F106 HydrophobicContact CD2-CB 4.09Å; F101-F106 HydrophobicContact CE2-CB 3.87Å; F101-F106 AromaticContact CE2-CD2 3.63Å; F101-F106 HydrophobicContact CE2-CD2 3.63Å; F101-F106 HydrophobicContact CE2-CG 4.04Å; F101-F106 HydrophobicContact CZ-CD2 4.14Å; F101-A131 HydrophobicContact CB-CB 3.91Å; F101-A131 HydrophobicContact CD1-CB 3.79Å; F101-A131 HydrophobicContact CG-CB 3.85Å; F101-Y134 AromaticContact CE1-CD1 3.91Å; F101-Y134 HydrophobicContact CE1-CD1 3.91Å; F101-Y134 HydrophobicContact CE1-CE1 4.34Å; F101-L135 HydrophobicContact CE1-CG 4.49Å; F101-L135 HydrophobicContact CZ-CD1 4.44Å
102S90.6Very high85.5Confident26 Ų2649.4 Ų49.418%0.18228%0.278CS..  trans-63.6149.3-178.452.60000112.7D104 T105 F106 E127S102-D104 PolarHBondContact O-N 3.16Å; S102-T105 PolarHBondContact O-N 3.12Å; S102-T105 VanDerWaalsContact O-N 3.17Å; S102-T105 VanDerWaalsContact OG-CB 3.32Å; S102-T105 WeakPolarHBondContact OG-CB 3.49Å; S102-T105 PolarHBondContact OG-N 3.39Å; S102-T105 PolarHBondContact OG-OG1 3.04Å; S102-T105 VanDerWaalsContact OG-OG1 3.1Å; S102-F106 PolarHBondContact O-N 3.32Å; S102-E127 PolarHBondContact OG-OE2 3.39Å
103P92.6Very high87.1Confident17 Ų1742.5 Ų42.511%0.1125%0.246CC..Hα-helixtrans-55.1-37.7172.7-26.834.2000112.5V60 E61 Q63 F65 F106 T107V60-P103 HydrophobicContact CG1-CG 4.29Å; E61-P103 HydrophobicContact CB-CG 4.07Å; E61-P103 VanDerWaalsContact OE2-CD 3.27Å; E61-P103 WeakPolarHBondContact OE2-CD 3.37Å; Q63-P103 HydrophobicContact CB-CB 4.26Å; Q63-P103 HydrophobicContact CB-CG 4.28Å; F65-P103 HydrophobicContact CE2-CB 4.28Å; F65-P103 HydrophobicContact CZ-CB 4.15Å; P103-F106 CarbonylContact O-C 3.59Å; P103-F106 WeakPolarHBondContact O-CB 3.43Å; P103-F106 PolarHBondContact O-N 2.97Å; P103-F106 VanDerWaalsContact O-N 3.16Å; P103-T107 WeakPolarHBondContact O-CG2 3.24Å; P103-T107 PolarHBondContact O-N 2.84Å
104D91.9Very high88.4Confident116 Ų11640.3 Ų40.362%0.6223%0.232SC*.Hα-helixtrans-61.3-47.6176.7-66.3-32.3000111.6S102 F106 T107 V108S102-D104 PolarHBondContact O-N 3.16Å; D104-F106 VanDerWaalsContact C-N 3.27Å; D104-F106 PolarHBondContact O-N 2.99Å; D104-T107 WeakPolarHBondContact O-CB 3.25Å; D104-T107 PolarHBondContact O-N 2.68Å; D104-T107 PolarHBondContact O-OG1 2.85Å; D104-V108 PolarHBondContact O-N 3Å
105T93.5Very high89Confident6 Ų641.3 Ų41.34%0.03724%0.24CC..Hα-helixtrans-60-37.7173.6-75.10000111.7F101 S102 V108 I109 E127 V128 A131F101-T105 HydrophobicContact CB-CG2 4.31Å; S102-T105 PolarHBondContact O-N 3.12Å; S102-T105 VanDerWaalsContact O-N 3.17Å; S102-T105 VanDerWaalsContact OG-CB 3.32Å; S102-T105 WeakPolarHBondContact OG-CB 3.49Å; S102-T105 PolarHBondContact OG-N 3.39Å; S102-T105 PolarHBondContact OG-OG1 3.04Å; S102-T105 VanDerWaalsContact OG-OG1 3.1Å; T105-V108 PolarHBondContact O-N 3.06Å; T105-I109 HydrophobicContact CG2-CD1 4.28Å; T105-I109 PolarHBondContact O-N 3.45Å; T105-E127 HydrophobicContact CG2-CB 4.31Å; T105-E127 WeakPolarHBondContact OG1-CB 3.34Å; T105-E127 PolarHBondContact OG1-OE2 2.87Å; T105-V128 HydrophobicContact CG2-CG2 4.36Å; T105-A131 HydrophobicContact CG2-CB 3.56Å
106F93.7Very high89.5Confident1 Ų139.6 Ų39.60%0.00424%0.236CC..Hα-helixtrans-67.2-34.6173.6-169.5-109.6000112.9V58 V60 F65 F79 F101 S102 P103 D104 V108 I109 L110 L135V58-F106 HydrophobicContact CB-CE1 4.15Å; V58-F106 HydrophobicContact CB-CZ 4.12Å; V58-F106 HydrophobicContact CG1-CE1 3.73Å; V58-F106 HydrophobicContact CG1-CE2 4.25Å; V58-F106 HydrophobicContact CG1-CZ 3.58Å; V58-F106 HydrophobicContact CG2-CZ 4.32Å; V60-F106 HydrophobicContact CG1-CB 4.35Å; V60-F106 HydrophobicContact CG2-CB 3.94Å; V60-F106 HydrophobicContact CG2-CD1 3.69Å; V60-F106 HydrophobicContact CG2-CD2 4.28Å; V60-F106 HydrophobicContact CG2-CE1 4.27Å; V60-F106 HydrophobicContact CG2-CG 3.69Å; F65-F106 HydrophobicContact CB-CD1 4.4Å; F65-F106 HydrophobicContact CB-CE1 3.9Å; F65-F106 HydrophobicContact CD1-CD1 4.16Å; F65-F106 HydrophobicContact CD1-CE1 4.37Å; F65-F106 AromaticContact CD2-CD1 3.66Å; F65-F106 HydrophobicContact CD2-CD1 3.66Å; F65-F106 AromaticContact CD2-CE1 3.97Å; F65-F106 HydrophobicContact CD2-CE1 3.97Å; F65-F106 HydrophobicContact CE1-CD1 4.34Å; F65-F106 AromaticContact CE2-CD1 3.86Å; F65-F106 HydrophobicContact CE2-CD1 3.86Å; F65-F106 AromaticContact CG-CD1 3.81Å; F65-F106 HydrophobicContact CG-CD1 3.81Å; F65-F106 AromaticContact CG-CE1 3.82Å; F65-F106 HydrophobicContact CG-CE1 3.82Å; F65-F106 HydrophobicContact CZ-CD1 4.18Å; F79-F106 HydrophobicContact CE2-CE2 4.16Å; F79-F106 AromaticContact CZ-CE2 3.9Å; F79-F106 HydrophobicContact CZ-CE2 3.9Å; F79-F106 HydrophobicContact CZ-CZ 4.07Å; F101-F106 HydrophobicContact CD2-CB 4.09Å; F101-F106 HydrophobicContact CE2-CB 3.87Å; F101-F106 AromaticContact CE2-CD2 3.63Å; F101-F106 HydrophobicContact CE2-CD2 3.63Å; F101-F106 HydrophobicContact CE2-CG 4.04Å; F101-F106 HydrophobicContact CZ-CD2 4.14Å; S102-F106 PolarHBondContact O-N 3.32Å; P103-F106 CarbonylContact O-C 3.59Å; P103-F106 WeakPolarHBondContact O-CB 3.43Å; P103-F106 PolarHBondContact O-N 2.97Å; P103-F106 VanDerWaalsContact O-N 3.16Å; D104-F106 VanDerWaalsContact C-N 3.27Å; D104-F106 PolarHBondContact O-N 2.99Å; F106-V108 PolarHBondContact O-N 3.26Å; F106-I109 PolarHBondContact O-N 2.92Å; F106-L110 HydrophobicContact CE1-CB 4.32Å; F106-L110 HydrophobicContact CE1-CD2 4.06Å; F106-L110 VanDerWaalsContact O-CB 3.27Å; F106-L110 WeakPolarHBondContact O-CB 3.45Å; F106-L110 PolarHBondContact O-N 2.96Å; F106-L135 HydrophobicContact CE2-CD1 4.48Å
107T93.1Very high89.8Confident46 Ų4645.6 Ų45.628%0.28226%0.263SS..Hα-helixtrans-62.2-42.7176.274.40000111.7F65 P103 D104 I109 L110 D111F65-T107 HydrophobicContact CE1-CG2 3.61Å; F65-T107 HydrophobicContact CZ-CG2 3.82Å; P103-T107 WeakPolarHBondContact O-CG2 3.24Å; P103-T107 PolarHBondContact O-N 2.84Å; D104-T107 WeakPolarHBondContact O-CB 3.25Å; D104-T107 PolarHBondContact O-N 2.68Å; D104-T107 PolarHBondContact O-OG1 2.85Å; T107-I109 PolarHBondContact O-N 2.9Å; T107-L110 PolarHBondContact O-N 3.12Å; T107-D111 WeakPolarHBondContact O-CB 3.34Å; T107-D111 PolarHBondContact O-N 3.47Å
108V93.4Very high90.1Very high31 Ų3142.1 Ų42.119%0.18824%0.237CC..Hα-helixtrans-62.8-42.5177.7176.40000110.8D104 T105 F106 F112 L118 V128D104-V108 PolarHBondContact O-N 3Å; T105-V108 PolarHBondContact O-N 3.06Å; F106-V108 PolarHBondContact O-N 3.26Å; V108-F112 WeakPolarHBondContact O-CB 3.49Å; V108-F112 PolarHBondContact O-N 3.19Å; V108-L118 HydrophobicContact CG1-CD1 3.86Å; V108-V128 HydrophobicContact CB-CG2 4.37Å; V108-V128 HydrophobicContact CG1-CG2 4.03Å
109I93.5Very high90.2Very high0 Ų048.1 Ų48.10%027%0.269CS..Hα-helixtrans-68.8-40.5177.2-68173.9000111.4T105 F106 T107 F112 I113 V128 A131 L135 M137T105-I109 HydrophobicContact CG2-CD1 4.28Å; T105-I109 PolarHBondContact O-N 3.45Å; F106-I109 PolarHBondContact O-N 2.92Å; T107-I109 PolarHBondContact O-N 2.9Å; I109-F112 PolarHBondContact O-N 3.25Å; I109-I113 HydrophobicContact CG2-CD1 4.03Å; I109-I113 VanDerWaalsContact O-CG1 3.25Å; I109-I113 WeakPolarHBondContact O-CG1 3.29Å; I109-I113 PolarHBondContact O-N 3.13Å; I109-V128 HydrophobicContact CG1-CG1 4.29Å; I109-A131 HydrophobicContact CD1-CB 3.54Å; I109-L135 HydrophobicContact CD1-CD1 4.28Å; I109-L135 HydrophobicContact CG2-CD1 4.01Å; I109-M137 HydrophobicContact CG2-CE 4.17Å; I109-M137 HydrophobicContact CG2-SD 3.67Å
110L92.6Very high90.6Very high1 Ų141.2 Ų41.21%0.00524%0.238CC..Hα-helixtrans-69.2-44.1179.8-173.963.4000111.6R48 F65 A67 L72 F106 T107 F112 I113 Y114R48-L110 VanDerWaalsContact NH1-CD2 3.34Å; F65-L110 HydrophobicContact CB-CD2 4.23Å; F65-L110 HydrophobicContact CD1-CD2 4.01Å; F65-L110 HydrophobicContact CG-CD2 4.46Å; A67-L110 HydrophobicContact CB-CD1 4.4Å; L72-L110 HydrophobicContact CD2-CD1 4.01Å; F106-L110 HydrophobicContact CE1-CB 4.32Å; F106-L110 HydrophobicContact CE1-CD2 4.06Å; F106-L110 VanDerWaalsContact O-CB 3.27Å; F106-L110 WeakPolarHBondContact O-CB 3.45Å; F106-L110 PolarHBondContact O-N 2.96Å; T107-L110 PolarHBondContact O-N 3.12Å; L110-F112 VanDerWaalsContact C-N 3.33Å; L110-F112 PolarHBondContact O-N 2.87Å; L110-I113 WeakPolarHBondContact O-CB 3.28Å; L110-I113 PolarHBondContact O-N 2.92Å; L110-I113 VanDerWaalsContact O-N 3.16Å; L110-Y114 HydrophobicContact CD1-CD2 4.07Å; L110-Y114 HydrophobicContact CD1-CE2 3.81Å; L110-Y114 WeakPolarHBondContact O-CD2 3.42Å; L110-Y114 PolarHBondContact O-N 3.4Å
111D91.5Very high90.9Very high47 Ų4738.2 Ų38.225%0.25122%0.22SC..Hα-helixtrans-69.6-30.5176.9-82.837.2000111.2R48 R49 T107 Y114 S115R48-D111 IonicContact CZ-OD1 3.81Å; R48-D111 IonicContact NH1-OD1 2.72Å; R48-D111 PolarHBondContact NH1-OD1 3.39Å; R48-D111 VanDerWaalsContact NH2-CG 3.34Å; R48-D111 IonicContact NH2-OD1 3.6Å; R48-D111 PolarHBondContact NH2-OD1 3.46Å; R48-D111 IonicContact NH2-OD2 3.9Å; R48-D111 PolarHBondContact NH2-OD2 3.02Å; R49-D111 IonicContact CZ-OD2 2.62Å; R49-D111 IonicContact NH1-OD2 2.68Å; R49-D111 PolarHBondContact NH1-OD2 2.84Å; R49-D111 IonicContact NH2-OD2 2.8Å; R49-D111 PolarHBondContact NH2-OD2 3.47Å; T107-D111 WeakPolarHBondContact O-CB 3.34Å; T107-D111 PolarHBondContact O-N 3.47Å; D111-Y114 PolarHBondContact O-N 3.15Å; D111-S115 VanDerWaalsContact O-CB 3.22Å; D111-S115 WeakPolarHBondContact O-CB 3.46Å; D111-S115 PolarHBondContact O-N 3.4Å; D111-S115 PolarHBondContact O-OG 3.31Å
112F92.1Very high90.8Very high46 Ų4642.7 Ų42.720%0.20225%0.254CS..Hα-helixtrans-61.4-44.2165.8166.5-100.1000112.9V108 I109 L110 Y114 S115 G116 Q117 L118 M137 V140V108-F112 WeakPolarHBondContact O-CB 3.49Å; V108-F112 PolarHBondContact O-N 3.19Å; I109-F112 PolarHBondContact O-N 3.25Å; L110-F112 VanDerWaalsContact C-N 3.33Å; L110-F112 PolarHBondContact O-N 2.87Å; F112-Y114 PolarHBondContact O-N 3.04Å; F112-S115 PolarHBondContact O-N 2.95Å; F112-G116 WeakPolarHBondContact O-CA 3.5Å; F112-G116 PolarHBondContact O-N 3.15Å; F112-Q117 VanDerWaalsContact CA-O 3.22Å; F112-Q117 WeakPolarHBondContact CA-O 3.47Å; F112-Q117 WeakPolarHBondContact CB-O 3.45Å; F112-L118 HydrophobicContact CB-CB 4.44Å; F112-L118 HydrophobicContact CB-CD1 3.62Å; F112-L118 HydrophobicContact CD2-CB 3.74Å; F112-L118 HydrophobicContact CD2-CD1 4.21Å; F112-L118 HydrophobicContact CE2-CB 4.4Å; F112-L118 HydrophobicContact CG-CB 4.29Å; F112-L118 HydrophobicContact CG-CD1 3.88Å; F112-M137 HydrophobicContact CD1-CE 4.1Å; F112-M137 HydrophobicContact CE1-CE 4.05Å; F112-V140 HydrophobicContact CD1-CG2 3.7Å; F112-V140 HydrophobicContact CE1-CG2 3.28Å; F112-V140 HydrophobicContact CZ-CG2 3.84Å
113I91.7Very high90.7Very high8 Ų848.6 Ų48.64%0.04128%0.278CS..Hα-helixtrans-59.1-30.1179.1-76.7168.7000112.2V71 L72 I109 L110 M137V71-I113 HydrophobicContact CG1-CG2 3.54Å; L72-I113 HydrophobicContact CD2-CD1 4.09Å; L72-I113 HydrophobicContact CD2-CG2 4.45Å; I109-I113 HydrophobicContact CG2-CD1 4.03Å; I109-I113 VanDerWaalsContact O-CG1 3.25Å; I109-I113 WeakPolarHBondContact O-CG1 3.29Å; I109-I113 PolarHBondContact O-N 3.13Å; L110-I113 WeakPolarHBondContact O-CB 3.28Å; L110-I113 PolarHBondContact O-N 2.92Å; L110-I113 VanDerWaalsContact O-N 3.16Å; I113-M137 HydrophobicContact CD1-CE 3.8Å; I113-M137 HydrophobicContact CD1-SD 4.28Å; I113-M137 HydrophobicContact CG1-CE 3.66Å
114Y91.3Very high90.7Very high0 Ų049 Ų490%028%0.279CS..Hα-helixtrans-102.1-22.1-177.4-80.5-92.7000114.9L41 L44 D45 R48 H68 V71 L110 D111 F112L41-Y114 CarbonylContact C-O 3.41Å; L44-Y114 HydrophobicContact CB-CD1 4.15Å; L44-Y114 HydrophobicContact CB-CE1 4.1Å; D45-Y114 HydrophobicContact CB-CD1 4.25Å; R48-Y114 HydrophobicContact CB-CD1 4.42Å; R48-Y114 HydrophobicContact CB-CE1 4.08Å; H68-Y114 WeakPolarHBondContact CB-OH 3.47Å; H68-Y114 PolarHBondContact N-OH 3.41Å; H68-Y114 AromaticContact ND1-CE1 3.5Å; H68-Y114 WeakPolarHBondContact ND1-CE1 3.35Å; H68-Y114 AromaticContact ND1-CZ 3.66Å; H68-Y114 PolarHBondContact ND1-OH 3.39Å; V71-Y114 HydrophobicContact CB-CE1 4.38Å; V71-Y114 HydrophobicContact CB-CE2 4.46Å; V71-Y114 HydrophobicContact CG1-CD2 4.44Å; V71-Y114 HydrophobicContact CG1-CE1 4.1Å; V71-Y114 HydrophobicContact CG1-CE2 3.96Å; V71-Y114 HydrophobicContact CG2-CE1 4.21Å; L110-Y114 HydrophobicContact CD1-CD2 4.07Å; L110-Y114 HydrophobicContact CD1-CE2 3.81Å; L110-Y114 WeakPolarHBondContact O-CD2 3.42Å; L110-Y114 PolarHBondContact O-N 3.4Å; D111-Y114 PolarHBondContact O-N 3.15Å; F112-Y114 PolarHBondContact O-N 3.04Å
115S87.7Confident90.7Very high55 Ų5543.7 Ų43.739%0.38525%0.251SS..Hα-helixtrans-104.5-25.9178.968.50000114.3D111 F112 Q117D111-S115 VanDerWaalsContact O-CB 3.22Å; D111-S115 WeakPolarHBondContact O-CB 3.46Å; D111-S115 PolarHBondContact O-N 3.4Å; D111-S115 PolarHBondContact O-OG 3.31Å; F112-S115 PolarHBondContact O-N 2.95Å; S115-Q117 PolarHBondContact OG-N 2.99Å; S115-Q117 PolarHBondContact OG-O 2.98Å
116G85.6Confident90.7Very high50 Ų5048.9 Ų48.952%0.51528%0.277SS..SBendtrans75.54.1-166.800000114.8F112F112-G116 WeakPolarHBondContact O-CA 3.5Å; F112-G116 PolarHBondContact O-N 3.15Å
117Q86Confident90.6Very high144 Ų14453.5 Ų53.567%0.67330%0.299SS*.  trans-110.6137.7-179-59.9-176-51.500110.1F112 S115F112-Q117 VanDerWaalsContact CA-O 3.22Å; F112-Q117 WeakPolarHBondContact CA-O 3.47Å; F112-Q117 WeakPolarHBondContact CB-O 3.45Å; S115-Q117 PolarHBondContact OG-N 2.99Å; S115-Q117 PolarHBondContact OG-O 2.98Å
118L91.1Very high90.7Very high15 Ų1551.3 Ų51.38%0.07929%0.285CS..  trans-124.1106.2-175.8-171.275000110.2V108 F112 L120 V128 V140 Y143V108-L118 HydrophobicContact CG1-CD1 3.86Å; F112-L118 HydrophobicContact CB-CB 4.44Å; F112-L118 HydrophobicContact CB-CD1 3.62Å; F112-L118 HydrophobicContact CD2-CB 3.74Å; F112-L118 HydrophobicContact CD2-CD1 4.21Å; F112-L118 HydrophobicContact CE2-CB 4.4Å; F112-L118 HydrophobicContact CG-CB 4.29Å; F112-L118 HydrophobicContact CG-CD1 3.88Å; L118-L120 HydrophobicContact CD2-CD1 4.05Å; L118-L120 HydrophobicContact CD2-CD2 3.78Å; L118-L120 HydrophobicContact CD2-CG 3.81Å; L118-L120 HydrophobicContact CG-CD2 3.97Å; L118-L120 HydrophobicContact CG-CG 4.01Å; L118-L120 PolarHBondContact O-N 3.32Å; L118-V128 HydrophobicContact CD1-CG1 4.15Å; L118-V128 HydrophobicContact CD2-CG1 4.39Å; L118-V140 HydrophobicContact CD1-CG1 4.49Å; L118-V140 HydrophobicContact CD2-CG1 3.82Å; L118-Y143 HydrophobicContact CB-CD1 4.48Å; L118-Y143 HydrophobicContact CB-CE1 4.43Å; L118-Y143 HydrophobicContact CD2-CD1 3.82Å; L118-Y143 HydrophobicContact CD2-CE1 4.44Å
119D87.9Confident90.7Very high131 Ų13152.1 Ų52.170%0.70129%0.288SS*.  trans-79.285.6-177.5-67.6-26.9000110.9N124D119-N124 PolarHBondContact O-ND2 3.22Å
120L91.5Very high90.8Very high26 Ų2655.4 Ų55.414%0.13631%0.311CS..  trans-87.6143.6176.8-67.9-172.2000113.1L118 N124 V125 V128 Y143 C144 F147L118-L120 HydrophobicContact CD2-CD1 4.05Å; L118-L120 HydrophobicContact CD2-CD2 3.78Å; L118-L120 HydrophobicContact CD2-CG 3.81Å; L118-L120 HydrophobicContact CG-CD2 3.97Å; L118-L120 HydrophobicContact CG-CG 4.01Å; L118-L120 PolarHBondContact O-N 3.32Å; L120-N124 WeakPolarHBondContact CA-OD1 3.45Å; L120-V125 HydrophobicContact CD1-CG2 3.9Å; L120-V125 HydrophobicContact CD2-CB 4.33Å; L120-V125 HydrophobicContact CD2-CG2 4.21Å; L120-V128 HydrophobicContact CD2-CB 4.13Å; L120-V128 HydrophobicContact CD2-CG1 3.9Å; L120-V128 HydrophobicContact CD2-CG2 4.42Å; L120-Y143 HydrophobicContact CD1-CD1 3.58Å; L120-Y143 HydrophobicContact CD1-CE1 3.87Å; L120-Y143 HydrophobicContact CG-CD1 4.3Å; L120-Y143 HydrophobicContact CG-CE1 4.3Å; L120-C144 HydrophobicContact CD1-CB 4.38Å; L120-F147 HydrophobicContact CB-CD1 4.31Å; L120-F147 HydrophobicContact CB-CD2 3.8Å; L120-F147 HydrophobicContact CB-CE1 4.28Å; L120-F147 HydrophobicContact CB-CE2 3.77Å; L120-F147 HydrophobicContact CB-CG 4.08Å; L120-F147 HydrophobicContact CB-CZ 4.01Å; L120-F147 HydrophobicContact CD1-CB 3.73Å; L120-F147 HydrophobicContact CD1-CD1 4.32Å; L120-F147 HydrophobicContact CD1-CD2 4.14Å; L120-F147 HydrophobicContact CD1-CG 3.82Å
121S89.7Confident90.8Very high23 Ų2355.4 Ų55.416%0.16131%0.311CS..  trans-136.6165.3175.175.60000110.5H123 N124 V125S121-H123 PolarHBondContact O-N 3.37Å; S121-H123 PolarHBondContact OG-CD2 3.31Å; S121-H123 PolarHBondContact OG-CE1 3.36Å; S121-H123 PolarHBondContact OG-N 2.95Å; S121-H123 PolarHBondContact OG-ND1 3.25Å; S121-H123 PolarHBondContact OG-NE2 3.1Å; S121-N124 PolarHBondContact N-OD1 3.41Å; S121-N124 PolarHBondContact O-N 3.27Å; S121-N124 PolarHBondContact O-OD1 3.36Å; S121-N124 VanDerWaalsContact OG-CG 3.28Å; S121-N124 PolarHBondContact OG-N 3.2Å; S121-N124 PolarHBondContact OG-OD1 3.27Å; S121-V125 WeakPolarHBondContact O-CB 3.45Å; S121-V125 WeakPolarHBondContact O-CG1 3.25Å; S121-V125 PolarHBondContact O-N 3.5Å; S121-V125 VanDerWaalsContact O-N 3.13Å
122S85.7Confident91Very high108 Ų10853.1 Ų53.176%0.75530%0.299SS*.THydrogen-bonded Turntrans-62.2-19.317452.50000114.1
123H88.2Confident91.1Very high150 Ų15054.5 Ų54.569%0.69431%0.314SS*.THydrogen-bonded Turntrans-93.7-38.117756.1-99.7000113.1S121S121-H123 PolarHBondContact O-N 3.37Å; S121-H123 PolarHBondContact OG-CD2 3.31Å; S121-H123 PolarHBondContact OG-CE1 3.36Å; S121-H123 PolarHBondContact OG-N 2.95Å; S121-H123 PolarHBondContact OG-ND1 3.25Å; S121-H123 PolarHBondContact OG-NE2 3.1Å
124N92.6Very high91.2Very high24 Ų2458 Ų5813%0.12833%0.327CS..THydrogen-bonded Turntrans-89.7-21.1-174.678.75.1000114.3D119 L120 S121 I126 E127 V128D119-N124 PolarHBondContact O-ND2 3.22Å; L120-N124 WeakPolarHBondContact CA-OD1 3.45Å; S121-N124 PolarHBondContact N-OD1 3.41Å; S121-N124 PolarHBondContact O-N 3.27Å; S121-N124 PolarHBondContact O-OD1 3.36Å; S121-N124 VanDerWaalsContact OG-CG 3.28Å; S121-N124 PolarHBondContact OG-N 3.2Å; S121-N124 PolarHBondContact OG-OD1 3.27Å; N124-I126 PolarHBondContact O-N 2.75Å; N124-I126 VanDerWaalsContact O-N 3.09Å; N124-E127 PolarHBondContact O-N 3.01Å; N124-E127 VanDerWaalsContact O-N 3.08Å; N124-V128 HydrophobicContact CB-CG2 4.25Å; N124-V128 WeakPolarHBondContact O-CG2 3.46Å; N124-V128 PolarHBondContact O-N 3.4Å
125V93.3Very high91.3Very high6 Ų658 Ų584%0.03633%0.327CS..Hα-helixtrans-61-30.1-167.664.70000113.9L120 S121 M129 C144 F147 I148L120-V125 HydrophobicContact CD1-CG2 3.9Å; L120-V125 HydrophobicContact CD2-CB 4.33Å; L120-V125 HydrophobicContact CD2-CG2 4.21Å; S121-V125 WeakPolarHBondContact O-CB 3.45Å; S121-V125 WeakPolarHBondContact O-CG1 3.25Å; S121-V125 PolarHBondContact O-N 3.5Å; S121-V125 VanDerWaalsContact O-N 3.13Å; V125-M129 WeakPolarHBondContact O-CB 3.21Å; V125-M129 PolarHBondContact O-N 2.62Å; V125-C144 HydrophobicContact CG2-CB 3.75Å; V125-F147 HydrophobicContact CB-CD1 4.12Å; V125-F147 HydrophobicContact CB-CE1 4.24Å; V125-F147 HydrophobicContact CG1-CD1 4.25Å; V125-F147 HydrophobicContact CG1-CE1 4.24Å; V125-F147 HydrophobicContact CG2-CD1 3.89Å; V125-I148 HydrophobicContact CG1-CD1 4.42Å; V125-I148 HydrophobicContact CG1-CG1 4.07Å; V125-I148 HydrophobicContact CG2-CD1 4.07Å; V125-I148 HydrophobicContact CG2-CG1 3.96Å
126I91.8Very high91.6Very high115 Ų11560 Ų6059%0.5933%0.331SS*.Hα-helixtrans-73-43.4178.3-57.3178.6000111N124 M129 S130N124-I126 PolarHBondContact O-N 2.75Å; N124-I126 VanDerWaalsContact O-N 3.09Å; I126-M129 PolarHBondContact O-N 3.25Å; I126-S130 PolarHBondContact O-N 3.37Å; I126-S130 PolarHBondContact O-OG 3.01Å
127E93.1Very high92Very high97 Ų9758.1 Ų58.145%0.45331%0.308SS..Hα-helixtrans-69-44.3176.8-63.6-173.4-164.100111.6S102 T105 N124 M129 S130 A131S102-E127 PolarHBondContact OG-OE2 3.39Å; T105-E127 HydrophobicContact CG2-CB 4.31Å; T105-E127 WeakPolarHBondContact OG1-CB 3.34Å; T105-E127 PolarHBondContact OG1-OE2 2.87Å; N124-E127 PolarHBondContact O-N 3.01Å; N124-E127 VanDerWaalsContact O-N 3.08Å; E127-M129 VanDerWaalsContact C-N 3.28Å; E127-M129 PolarHBondContact O-N 2.97Å; E127-S130 PolarHBondContact O-N 3.3Å; E127-S130 PolarHBondContact O-OG 3.49Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 3.31Å
128V94.5Very high92.2Very high0 Ų057 Ų570%031%0.307CS..Hα-helixtrans-61.4-38.3174.5176.30000110.7T105 V108 I109 L118 L120 N124 A132 V140T105-V128 HydrophobicContact CG2-CG2 4.36Å; V108-V128 HydrophobicContact CB-CG2 4.37Å; V108-V128 HydrophobicContact CG1-CG2 4.03Å; I109-V128 HydrophobicContact CG1-CG1 4.29Å; L118-V128 HydrophobicContact CD1-CG1 4.15Å; L118-V128 HydrophobicContact CD2-CG1 4.39Å; L120-V128 HydrophobicContact CD2-CB 4.13Å; L120-V128 HydrophobicContact CD2-CG1 3.9Å; L120-V128 HydrophobicContact CD2-CG2 4.42Å; N124-V128 HydrophobicContact CB-CG2 4.25Å; N124-V128 WeakPolarHBondContact O-CG2 3.46Å; N124-V128 PolarHBondContact O-N 3.4Å; V128-A132 WeakPolarHBondContact O-CB 3.42Å; V128-A132 PolarHBondContact O-N 3.49Å; V128-V140 HydrophobicContact CG1-CG1 4.19Å
129M93.9Very high92.2Very high48 Ų4862.8 Ų62.824%0.23634%0.338CS..Hα-helixtrans-69.6-37.8175.7-175.5171.558.300113.1V125 I126 E127 S133 C144 K145 I148V125-M129 WeakPolarHBondContact O-CB 3.21Å; V125-M129 PolarHBondContact O-N 2.62Å; I126-M129 PolarHBondContact O-N 3.25Å; E127-M129 VanDerWaalsContact C-N 3.28Å; E127-M129 PolarHBondContact O-N 2.97Å; M129-S133 WeakPolarHBondContact O-CB 3.35Å; M129-S133 PolarHBondContact O-N 3.29Å; M129-C144 HydrophobicContact CB-CB 3.82Å; M129-C144 HydrophobicContact CG-CB 4.06Å; M129-C144 HydrophobicContact SD-CB 4.15Å; M129-K145 HydrophobicContact SD-CG 4.11Å; M129-I148 HydrophobicContact CE-CD1 3.75Å; M129-I148 HydrophobicContact SD-CD1 4.13Å
130S94.6Very high92.4Very high69 Ų6956.7 Ų56.748%0.48331%0.305SS..Hα-helixtrans-71.4-44178.269.50000111.5I126 E127 S133 Y134I126-S130 PolarHBondContact O-N 3.37Å; I126-S130 PolarHBondContact O-OG 3.01Å; E127-S130 PolarHBondContact O-N 3.3Å; E127-S130 PolarHBondContact O-OG 3.49Å; S130-S133 VanDerWaalsContact O-CB 3.32Å; S130-S133 WeakPolarHBondContact O-CB 3.49Å; S130-S133 PolarHBondContact O-N 2.97Å; S130-S133 VanDerWaalsContact O-N 3.17Å; S130-Y134 PolarHBondContact O-N 3.42Å
131A94.1Very high92.5Very high1 Ų156.5 Ų56.51%0.00830%0.304CS..Hα-helixtrans-64.6-39.6173.900000112F101 T105 I109 E127 S133 Y134 L135F101-A131 HydrophobicContact CB-CB 3.91Å; F101-A131 HydrophobicContact CD1-CB 3.79Å; F101-A131 HydrophobicContact CG-CB 3.85Å; T105-A131 HydrophobicContact CG2-CB 3.56Å; I109-A131 HydrophobicContact CD1-CB 3.54Å; E127-A131 WeakPolarHBondContact O-CB 3.47Å; E127-A131 PolarHBondContact O-N 3.31Å; A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.01Å; A131-Y134 PolarHBondContact O-N 3.2Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 WeakPolarHBondContact O-CG 3.42Å; A131-L135 PolarHBondContact O-N 3.06Å
132A94.1Very high92.6Very high0 Ų058.2 Ų58.20%032%0.317CS..Hα-helixtrans-64.5-33.2172.200000112.9V128 Q136 M137 V140 I141V128-A132 WeakPolarHBondContact O-CB 3.42Å; V128-A132 PolarHBondContact O-N 3.49Å; A132-Q136 PolarHBondContact O-N 2.98Å; A132-M137 HydrophobicContact CB-CB 4.28Å; A132-M137 PolarHBondContact O-N 3.16Å; A132-V140 HydrophobicContact CB-CB 3.86Å; A132-V140 HydrophobicContact CB-CG1 3.49Å; A132-V140 VanDerWaalsContact CB-CG1 3.49Å; A132-I141 HydrophobicContact CB-CG1 3.92Å
133S94.8Very high92.9Very high74 Ų7459.5 Ų59.552%0.51731%0.306SS..Hα-helixtrans-65.4-47.2172.2-166.50000111.4M129 S130 A131 L135 Q136M129-S133 WeakPolarHBondContact O-CB 3.35Å; M129-S133 PolarHBondContact O-N 3.29Å; S130-S133 VanDerWaalsContact O-CB 3.32Å; S130-S133 WeakPolarHBondContact O-CB 3.49Å; S130-S133 PolarHBondContact O-N 2.97Å; S130-S133 VanDerWaalsContact O-N 3.17Å; A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.01Å; S133-L135 PolarHBondContact O-N 3.09Å; S133-Q136 PolarHBondContact O-N 3.02Å; S133-Q136 VanDerWaalsContact O-N 3.12Å
134Y93.8Very high93.2Very high82 Ų8252.4 Ų52.432%0.32227%0.273SS..Hα-helixtrans-58.8-46.4174.7-176.2-86.2000112Y78 F98 V100 F101 S130 A131 Q136Y78-Y134 HydrophobicContact CD1-CE1 4.47Å; Y78-Y134 HydrophobicContact CD2-CE1 4.28Å; Y78-Y134 HydrophobicContact CE1-CE1 4.03Å; Y78-Y134 AromaticContact CE2-CE1 3.79Å; Y78-Y134 HydrophobicContact CE2-CE1 3.79Å; Y78-Y134 AromaticContact CE2-CZ 3.94Å; Y78-Y134 AromaticContact CZ-CE1 3.66Å; Y78-Y134 AromaticContact CZ-CZ 3.94Å; Y78-Y134 PolarHBondContact OH-OH 2.76Å; Y78-Y134 VanDerWaalsContact OH-OH 3.09Å; F98-Y134 AromaticContact CD1-CE1 3.91Å; F98-Y134 HydrophobicContact CD1-CE1 3.91Å; F98-Y134 AromaticContact CE1-CE1 3.83Å; F98-Y134 HydrophobicContact CE1-CE1 3.83Å; V100-Y134 HydrophobicContact CB-CE2 4.37Å; V100-Y134 HydrophobicContact CG1-CD2 3.84Å; V100-Y134 HydrophobicContact CG1-CE2 4.01Å; V100-Y134 HydrophobicContact CG1-CG 4.4Å; V100-Y134 HydrophobicContact CG2-CE2 3.99Å; F101-Y134 AromaticContact CE1-CD1 3.91Å; F101-Y134 HydrophobicContact CE1-CD1 3.91Å; F101-Y134 HydrophobicContact CE1-CE1 4.34Å; S130-Y134 PolarHBondContact O-N 3.42Å; A131-Y134 PolarHBondContact O-N 3.2Å; Y134-Q136 PolarHBondContact O-N 3.39Å
135L93.1Very high93.2Very high0 Ų056.5 Ų56.50%029%0.29CS..THydrogen-bonded Turntrans-77.42.5178.2-64.9174.2000113.9S76 Y78 F79 F101 F106 I109 A131 S133 M137S76-L135 WeakPolarHBondContact CB-O 3.45Å; S76-L135 PolarHBondContact OG-O 3.24Å; Y78-L135 HydrophobicContact CD1-CD2 3.93Å; Y78-L135 HydrophobicContact CG-CD2 4.4Å; Y78-L135 PolarHBondContact N-O 3.38Å; F79-L135 HydrophobicContact CD2-CD2 4.27Å; F79-L135 HydrophobicContact CE2-CD1 4.31Å; F79-L135 HydrophobicContact CE2-CD2 3.85Å; F79-L135 HydrophobicContact CZ-CD2 4.14Å; F101-L135 HydrophobicContact CE1-CG 4.49Å; F101-L135 HydrophobicContact CZ-CD1 4.44Å; F106-L135 HydrophobicContact CE2-CD1 4.48Å; I109-L135 HydrophobicContact CD1-CD1 4.28Å; I109-L135 HydrophobicContact CG2-CD1 4.01Å; A131-L135 WeakPolarHBondContact O-CB 3.35Å; A131-L135 WeakPolarHBondContact O-CG 3.42Å; A131-L135 PolarHBondContact O-N 3.06Å; S133-L135 PolarHBondContact O-N 3.09Å; L135-M137 VanDerWaalsContact C-N 3.32Å; L135-M137 HydrophobicContact CB-CG 3.97Å; L135-M137 HydrophobicContact CB-SD 4.02Å; L135-M137 HydrophobicContact CD1-SD 4.33Å; L135-M137 PolarHBondContact O-N 3.21Å
136Q93.9Very high93.1Very high98 Ų9859.5 Ų59.546%0.45831%0.305SS..THydrogen-bonded Turntrans57.737.4178.3-54.5176.64.100114A132 S133 Y134 N138A132-Q136 PolarHBondContact O-N 2.98Å; S133-Q136 PolarHBondContact O-N 3.02Å; S133-Q136 VanDerWaalsContact O-N 3.12Å; Y134-Q136 PolarHBondContact O-N 3.39Å; Q136-N138 PolarHBondContact O-N 3.16Å
137M93.4Very high93.2Very high9 Ų956.5 Ų56.54%0.04429%0.288CS..  trans-94.870.8-175.4-64.7-177.772.300111.7I109 F112 I113 A132 L135 N139 V140 I141I109-M137 HydrophobicContact CG2-CE 4.17Å; I109-M137 HydrophobicContact CG2-SD 3.67Å; F112-M137 HydrophobicContact CD1-CE 4.1Å; F112-M137 HydrophobicContact CE1-CE 4.05Å; I113-M137 HydrophobicContact CD1-CE 3.8Å; I113-M137 HydrophobicContact CD1-SD 4.28Å; I113-M137 HydrophobicContact CG1-CE 3.66Å; A132-M137 HydrophobicContact CB-CB 4.28Å; A132-M137 PolarHBondContact O-N 3.16Å; L135-M137 VanDerWaalsContact C-N 3.32Å; L135-M137 HydrophobicContact CB-CG 3.97Å; L135-M137 HydrophobicContact CB-SD 4.02Å; L135-M137 HydrophobicContact CD1-SD 4.33Å; L135-M137 PolarHBondContact O-N 3.21Å; M137-N139 PolarHBondContact O-N 3.12Å; M137-V140 HydrophobicContact CB-CB 4.16Å; M137-V140 HydrophobicContact CB-CG2 4.08Å; M137-V140 HydrophobicContact CE-CG2 3.94Å; M137-V140 WeakPolarHBondContact O-CB 3.14Å; M137-V140 PolarHBondContact O-N 3.23Å; M137-I141 WeakPolarHBondContact O-CG1 3.05Å; M137-I141 PolarHBondContact O-N 3.31Å; M137-I141 VanDerWaalsContact O-N 3.12Å
138N92.3Very high93.1Very high120 Ų12054.2 Ų54.264%0.64228%0.279SS*.Hα-helixtrans-48.8-37.3-173-67.4-48.5000115.4Q136 I141 S142Q136-N138 PolarHBondContact O-N 3.16Å; N138-I141 PolarHBondContact O-N 2.95Å; N138-S142 PolarHBondContact O-N 3.4Å
139N89.9Confident92.9Very high138 Ų13859.2 Ų59.274%0.73830%0.3SS*.Hα-helixtrans-66.8-41.7179.6-63.1-4000111.9M137 S142 Y143M137-N139 PolarHBondContact O-N 3.12Å; N139-S142 PolarHBondContact O-N 3.05Å; N139-Y143 PolarHBondContact O-N 2.95Å
140V92.6Very high92.6Very high2 Ų259.5 Ų59.51%0.01231%0.307CS..Hα-helixtrans-64.5-43.9175.21780000109.9F112 L118 V128 A132 M137 S142 Y143 C144F112-V140 HydrophobicContact CD1-CG2 3.7Å; F112-V140 HydrophobicContact CE1-CG2 3.28Å; F112-V140 HydrophobicContact CZ-CG2 3.84Å; L118-V140 HydrophobicContact CD1-CG1 4.49Å; L118-V140 HydrophobicContact CD2-CG1 3.82Å; V128-V140 HydrophobicContact CG1-CG1 4.19Å; A132-V140 HydrophobicContact CB-CB 3.86Å; A132-V140 HydrophobicContact CB-CG1 3.49Å; A132-V140 VanDerWaalsContact CB-CG1 3.49Å; M137-V140 HydrophobicContact CB-CB 4.16Å; M137-V140 HydrophobicContact CB-CG2 4.08Å; M137-V140 HydrophobicContact CE-CG2 3.94Å; M137-V140 WeakPolarHBondContact O-CB 3.14Å; M137-V140 PolarHBondContact O-N 3.23Å; V140-S142 VanDerWaalsContact C-N 3.27Å; V140-S142 PolarHBondContact O-N 3.42Å; V140-Y143 PolarHBondContact O-N 3.31Å; V140-Y143 VanDerWaalsContact O-N 3.13Å; V140-C144 PolarHBondContact O-N 3.06Å; V140-C144 PolarHBondContact O-SG 3.33Å; V140-C144 VanDerWaalsContact O-SG 3.34Å
141I93.3Very high92.1Very high22 Ų2258.8 Ų58.811%0.11330%0.302CS..Hα-helixtrans-60.1-36.9176.9-57.6167.8000111.5A132 M137 N138 K145A132-I141 HydrophobicContact CB-CG1 3.92Å; M137-I141 WeakPolarHBondContact O-CG1 3.05Å; M137-I141 PolarHBondContact O-N 3.31Å; M137-I141 VanDerWaalsContact O-N 3.12Å; N138-I141 PolarHBondContact O-N 2.95Å; I141-K145 HydrophobicContact CG2-CD 4.24Å; I141-K145 WeakPolarHBondContact O-CD 3.38Å; I141-K145 VanDerWaalsContact O-CG 3.24Å; I141-K145 WeakPolarHBondContact O-CG 3.39Å; I141-K145 PolarHBondContact O-N 2.96Å
142S92.4Very high91.3Very high60 Ų6064.2 Ų64.242%0.4233%0.33SS..Hα-helixtrans-66.1-49.4173-159.60000111.1N138 N139 V140 C144 K145 D146N138-S142 PolarHBondContact O-N 3.4Å; N139-S142 PolarHBondContact O-N 3.05Å; V140-S142 VanDerWaalsContact C-N 3.27Å; V140-S142 PolarHBondContact O-N 3.42Å; S142-C144 PolarHBondContact O-N 3.16Å; S142-K145 WeakPolarHBondContact O-CB 3.22Å; S142-K145 PolarHBondContact O-N 2.96Å; S142-D146 VanDerWaalsContact O-CG 3.28Å; S142-D146 PolarHBondContact O-N 3.1Å; S142-D146 VanDerWaalsContact O-OD2 3.05Å; S142-D146 PolarHBondContact OG-OD2 3.13Å
143Y92.2Very high89.9Confident135 Ų13569.1 Ų69.153%0.52935%0.353SS..Hα-helixtrans-60.2-42.2-178.5-165.2-89.6000112.3L118 L120 N139 V140 K145 D146 F147L118-Y143 HydrophobicContact CB-CD1 4.48Å; L118-Y143 HydrophobicContact CB-CE1 4.43Å; L118-Y143 HydrophobicContact CD2-CD1 3.82Å; L118-Y143 HydrophobicContact CD2-CE1 4.44Å; L120-Y143 HydrophobicContact CD1-CD1 3.58Å; L120-Y143 HydrophobicContact CD1-CE1 3.87Å; L120-Y143 HydrophobicContact CG-CD1 4.3Å; L120-Y143 HydrophobicContact CG-CE1 4.3Å; N139-Y143 PolarHBondContact O-N 2.95Å; V140-Y143 PolarHBondContact O-N 3.31Å; V140-Y143 VanDerWaalsContact O-N 3.13Å; Y143-K145 PolarHBondContact O-N 3.18Å; Y143-D146 PolarHBondContact O-N 3.32Å; Y143-F147 WeakPolarHBondContact O-CB 3.46Å; Y143-F147 PolarHBondContact O-N 2.85Å
144C93.9Very high88.2Confident0 Ų070.5 Ų70.50%035%0.354CS..Hα-helixtrans-61.2-42172.4-63.80000112.5L120 V125 M129 V140 S142 D146 F147 I148L120-C144 HydrophobicContact CD1-CB 4.38Å; V125-C144 HydrophobicContact CG2-CB 3.75Å; M129-C144 HydrophobicContact CB-CB 3.82Å; M129-C144 HydrophobicContact CG-CB 4.06Å; M129-C144 HydrophobicContact SD-CB 4.15Å; V140-C144 PolarHBondContact O-N 3.06Å; V140-C144 PolarHBondContact O-SG 3.33Å; V140-C144 VanDerWaalsContact O-SG 3.34Å; S142-C144 PolarHBondContact O-N 3.16Å; C144-D146 VanDerWaalsContact C-N 3.35Å; C144-F147 PolarHBondContact O-N 3.36Å; C144-I148 WeakPolarHBondContact O-CD1 3.42Å; C144-I148 VanDerWaalsContact O-CG1 3.25Å; C144-I148 WeakPolarHBondContact O-CG1 3.35Å; C144-I148 PolarHBondContact O-N 2.89Å
145K92.3Very high86.3Confident111 Ų11169.5 Ų69.548%0.48336%0.358SS..Hα-helixtrans-63.9-40.5176.2-75.7169.2-178.9175.80112M129 I141 S142 Y143 I148 K149M129-K145 HydrophobicContact SD-CG 4.11Å; I141-K145 HydrophobicContact CG2-CD 4.24Å; I141-K145 WeakPolarHBondContact O-CD 3.38Å; I141-K145 VanDerWaalsContact O-CG 3.24Å; I141-K145 WeakPolarHBondContact O-CG 3.39Å; I141-K145 PolarHBondContact O-N 2.96Å; S142-K145 WeakPolarHBondContact O-CB 3.22Å; S142-K145 PolarHBondContact O-N 2.96Å; Y143-K145 PolarHBondContact O-N 3.18Å; K145-I148 PolarHBondContact O-N 3.47Å; K145-K149 VanDerWaalsContact O-CG 3.31Å; K145-K149 WeakPolarHBondContact O-CG 3.48Å; K145-K149 PolarHBondContact O-N 3.06Å
146D91.5Very high84.2Confident68 Ų6872.1 Ų72.136%0.36438%0.38SS..Hα-helixtrans-74.3-31.7-178.4-61.9-38.2000111.6S142 Y143 C144 K149 S150S142-D146 VanDerWaalsContact O-CG 3.28Å; S142-D146 PolarHBondContact O-N 3.1Å; S142-D146 VanDerWaalsContact O-OD2 3.05Å; S142-D146 PolarHBondContact OG-OD2 3.13Å; Y143-D146 PolarHBondContact O-N 3.32Å; C144-D146 VanDerWaalsContact C-N 3.35Å; D146-K149 IonicContact OD1-NZ 3.2Å; D146-K149 PolarHBondContact OD1-NZ 3.46Å; D146-S150 PolarHBondContact O-N 3.39Å; D146-S150 PolarHBondContact O-OG 2.87Å
147F92.9Very high82.1Confident52 Ų5274.7 Ų74.723%0.22839%0.39CS..Hα-helixtrans-65.7-41.4167.6-178.4-85.2000112.9L120 V125 Y143 C144 S150 S151L120-F147 HydrophobicContact CB-CD1 4.31Å; L120-F147 HydrophobicContact CB-CD2 3.8Å; L120-F147 HydrophobicContact CB-CE1 4.28Å; L120-F147 HydrophobicContact CB-CE2 3.77Å; L120-F147 HydrophobicContact CB-CG 4.08Å; L120-F147 HydrophobicContact CB-CZ 4.01Å; L120-F147 HydrophobicContact CD1-CB 3.73Å; L120-F147 HydrophobicContact CD1-CD1 4.32Å; L120-F147 HydrophobicContact CD1-CD2 4.14Å; L120-F147 HydrophobicContact CD1-CG 3.82Å; V125-F147 HydrophobicContact CB-CD1 4.12Å; V125-F147 HydrophobicContact CB-CE1 4.24Å; V125-F147 HydrophobicContact CG1-CD1 4.25Å; V125-F147 HydrophobicContact CG1-CE1 4.24Å; V125-F147 HydrophobicContact CG2-CD1 3.89Å; Y143-F147 WeakPolarHBondContact O-CB 3.46Å; Y143-F147 PolarHBondContact O-N 2.85Å; C144-F147 PolarHBondContact O-N 3.36Å; F147-S150 PolarHBondContact O-OG 2.78Å; F147-S150 VanDerWaalsContact O-OG 3.08Å; F147-S151 WeakPolarHBondContact O-CB 3.39Å; F147-S151 PolarHBondContact O-N 3.18Å; F147-S151 PolarHBondContact O-OG 3.23Å
148I91.7Very high80.1Confident50 Ų5081.3 Ų81.326%0.25642%0.421SS..Hα-helixtrans-65.3-43.8175.6-70.3163.5000110.4V125 M129 C144 K145 S151 L152V125-I148 HydrophobicContact CG1-CD1 4.42Å; V125-I148 HydrophobicContact CG1-CG1 4.07Å; V125-I148 HydrophobicContact CG2-CD1 4.07Å; V125-I148 HydrophobicContact CG2-CG1 3.96Å; M129-I148 HydrophobicContact CE-CD1 3.75Å; M129-I148 HydrophobicContact SD-CD1 4.13Å; C144-I148 WeakPolarHBondContact O-CD1 3.42Å; C144-I148 VanDerWaalsContact O-CG1 3.25Å; C144-I148 WeakPolarHBondContact O-CG1 3.35Å; C144-I148 PolarHBondContact O-N 2.89Å; K145-I148 PolarHBondContact O-N 3.47Å; I148-S151 PolarHBondContact O-N 2.72Å; I148-L152 HydrophobicContact CG2-CD1 3.92Å; I148-L152 WeakPolarHBondContact O-CG 3.46Å; I148-L152 PolarHBondContact O-N 3.46Å; I148-L152 VanDerWaalsContact O-N 3.1Å
149K89.9Confident77.9Confident105 Ų10580.9 Ų80.946%0.45742%0.419SS..Hα-helixtrans-58-53174.3-71.2170.4-160.5163.90111.6K145 D146 S151 L152 E153K145-K149 VanDerWaalsContact O-CG 3.31Å; K145-K149 WeakPolarHBondContact O-CG 3.48Å; K145-K149 PolarHBondContact O-N 3.06Å; D146-K149 IonicContact OD1-NZ 3.2Å; D146-K149 PolarHBondContact OD1-NZ 3.46Å; K149-S151 VanDerWaalsContact C-N 3.28Å; K149-S151 PolarHBondContact O-N 2.8Å; K149-L152 CarbonylContact O-C 3.6Å; K149-L152 PolarHBondContact O-N 3.4Å; K149-E153 WeakPolarHBondContact O-CB 3.36Å; K149-E153 WeakPolarHBondContact O-CG 3.35Å; K149-E153 PolarHBondContact O-N 3.35Å
150S88Confident75.6Confident54 Ų5481.5 Ų81.538%0.37842%0.422SS..Hα-helixtrans-62.7-36.8-177.162.80000112.2D146 F147 L152 E153 I154D146-S150 PolarHBondContact O-N 3.39Å; D146-S150 PolarHBondContact O-OG 2.87Å; F147-S150 PolarHBondContact O-OG 2.78Å; F147-S150 VanDerWaalsContact O-OG 3.08Å; S150-L152 VanDerWaalsContact C-N 3.33Å; S150-L152 PolarHBondContact O-N 3.4Å; S150-E153 PolarHBondContact O-N 3.5Å; S150-I154 WeakPolarHBondContact O-CD1 3.43Å; S150-I154 VanDerWaalsContact O-CG1 3.23Å; S150-I154 WeakPolarHBondContact O-CG1 3.36Å; S150-I154 PolarHBondContact O-N 2.83Å
151S83.8Confident73.4Confident53 Ų5386.7 Ų86.737%0.37145%0.453SS..Hα-helixtrans-61.4-38.7173.3-57.90000112.7F147 I148 K149F147-S151 WeakPolarHBondContact O-CB 3.39Å; F147-S151 PolarHBondContact O-N 3.18Å; F147-S151 PolarHBondContact O-OG 3.23Å; I148-S151 PolarHBondContact O-N 2.72Å; K149-S151 VanDerWaalsContact C-N 3.28Å; K149-S151 PolarHBondContact O-N 2.8Å
152L76.7Confident71Confident115 Ų11594 Ų9460%0.60249%0.487SS*.Hα-helixtrans-79.4-35.1177.6-66.5169.6000112.7I148 K149 S150 I154 S155 A156I148-L152 HydrophobicContact CG2-CD1 3.92Å; I148-L152 WeakPolarHBondContact O-CG 3.46Å; I148-L152 PolarHBondContact O-N 3.46Å; I148-L152 VanDerWaalsContact O-N 3.1Å; K149-L152 CarbonylContact O-C 3.6Å; K149-L152 PolarHBondContact O-N 3.4Å; S150-L152 VanDerWaalsContact C-N 3.33Å; S150-L152 PolarHBondContact O-N 3.4Å; L152-I154 PolarHBondContact O-N 2.86Å; L152-S155 WeakPolarHBondContact O-CB 3.08Å; L152-S155 PolarHBondContact O-N 2.99Å; L152-A156 PolarHBondContact O-N 3.35Å
153E65.6Low68.2Low104 Ų104100.5 Ų100.549%0.48650%0.503SS..Hα-helixtrans-70.2-19.1175-74.4176.4-148.500113.1K149 S150 K157K149-E153 WeakPolarHBondContact O-CB 3.36Å; K149-E153 WeakPolarHBondContact O-CG 3.35Å; K149-E153 PolarHBondContact O-N 3.35Å; S150-E153 PolarHBondContact O-N 3.5Å; E153-K157 WeakPolarHBondContact O-CD 3.47Å; E153-K157 WeakPolarHBondContact O-CG 3.48Å
154I59.3Low65.2Low103 Ų103102.4 Ų102.453%0.52852%0.522SS..Hα-helixtrans-71-50.6166.9-71.8161.4000109.5S150 L152 A156 K157 E158S150-I154 WeakPolarHBondContact O-CD1 3.43Å; S150-I154 VanDerWaalsContact O-CG1 3.23Å; S150-I154 WeakPolarHBondContact O-CG1 3.36Å; S150-I154 PolarHBondContact O-N 2.83Å; L152-I154 PolarHBondContact O-N 2.86Å; I154-A156 VanDerWaalsContact C-N 3.35Å; I154-A156 PolarHBondContact O-N 3.37Å; I154-K157 PolarHBondContact O-N 3.35Å; I154-K157 VanDerWaalsContact O-N 3.1Å; I154-E158 PolarHBondContact O-N 2.84Å
155S53.6Low62.2Low60 Ų60106.2 Ų106.242%0.4255%0.548SS..Hα-helixtrans-55-49175.5-167.50000111.7L152 K157 E158 D159L152-S155 WeakPolarHBondContact O-CB 3.08Å; L152-S155 PolarHBondContact O-N 2.99Å; S155-K157 PolarHBondContact O-N 2.78Å; S155-E158 PolarHBondContact O-N 3.19Å; S155-D159 PolarHBondContact O-N 3.34Å; S155-D159 VanDerWaalsContact O-N 3.12Å; S155-D159 VanDerWaalsContact O-OD2 3.13Å
156A49.3Very low59.1Low56 Ų56109.2 Ų109.246%0.46357%0.569SS.*Hα-helixtrans-61.7-18.6-178.800000114.3L152 I154L152-A156 PolarHBondContact O-N 3.35Å; I154-A156 VanDerWaalsContact C-N 3.35Å; I154-A156 PolarHBondContact O-N 3.37Å
157K50Low56.1Low151 Ų151111.5 Ų111.566%0.65759%0.59SS**Hα-helixtrans-89.1-13.2174.3-75169.8-175155.40113.6E153 I154 S155E153-K157 WeakPolarHBondContact O-CD 3.47Å; E153-K157 WeakPolarHBondContact O-CG 3.48Å; I154-K157 PolarHBondContact O-N 3.35Å; I154-K157 VanDerWaalsContact O-N 3.1Å; S155-K157 PolarHBondContact O-N 2.78Å
158E51Low52.9Low149 Ų149118.3 Ų118.370%0.69662%0.622SS**Hα-helixtrans-90.5-31.4171.8-62.9-175.1170.700111I154 S155I154-E158 PolarHBondContact O-N 2.84Å; S155-E158 PolarHBondContact O-N 3.19Å
159D45.5Very low50Low111 Ų111123.1 Ų123.159%0.59465%0.649SS**Hα-helixtrans-69-31.5177.9-68.9-52000114S155 V161 H162S155-D159 PolarHBondContact O-N 3.34Å; S155-D159 VanDerWaalsContact O-N 3.12Å; S155-D159 VanDerWaalsContact O-OD2 3.13Å; D159-V161 PolarHBondContact O-N 2.94Å; D159-H162 PolarHBondContact O-N 3.47Å
160D42.1Very low46.9Very low151 Ų151122.7 Ų122.781%0.80766%0.659SS**THydrogen-bonded Turntrans-7510.9-170.1-132.45.6000114.9
161V47Very low44Very low110 Ų110130.1 Ų130.167%0.66768%0.68SS**THydrogen-bonded Turntrans-109.9-14.9-178-174.20000112.9D159D159-V161 PolarHBondContact O-N 2.94Å
162H41.5Very low41.9Very low177 Ų177133.7 Ų133.782%0.81970%0.702SS**  trans-13050.7-172.2-92.6-63.3000115.8D159D159-H162 PolarHBondContact O-N 3.47Å
163Y33.4Very low39.6Very low196 Ų196137.8 Ų137.877%0.76972%0.718SS**  trans-130.678.1159.9-156-95.2000114.1
164L30.7Very low37.7Very low174 Ų174137.7 Ų137.791%0.91174%0.735SS**  trans-105.9105.5157.4-74.5-179.4000109.4
165S30.6Very low36.1Very low80 Ų80136.4 Ų136.456%0.55975%0.748SS**  trans-68.6137.2177.2-177.10000111.7
166L26.8Very low35Very low174 Ų174144.4 Ų144.491%0.91177%0.769SS**  trans-143.190.9171.3-76.7-179.1000111.6
167S27.9Very low33.9Very low116 Ų116148.9 Ų148.981%0.81178%0.78SS**  trans-157.668.2157.768.90000113
168E27.1Very low32.9Very low195 Ų195147.9 Ų147.991%0.91178%0.782SS**  trans-139.5129.8161.1-156.5161.7-145.200111.1
169N30.4Very low31.8Very low151 Ų151147.4 Ų147.481%0.80778%0.784SS**  trans-99.1117.1-172.8-85-31.6000111
170S25.6Very low31Very low96 Ų96145.6 Ų145.667%0.67178%0.784SS**  trans-159.9108152.337.70000114.5
171Y26.4Very low30.6Very low211 Ų211146.2 Ų146.283%0.82779%0.786SS**  trans37.8142.8139.2-32.1-62.9000121.9
172P40Very low29.7Very low128 Ų128146.7 Ų146.783%0.83179%0.785SS**  trans-93.4159.6-162.737.9-37.5000115.3
173Q28.8Very low29.2Very low200 Ų200145.4 Ų145.494%0.93578%0.779SS**  trans-138.3153.1154.8-163.5141.5-15.600110.7
174A25.5Very low29.1Very low102 Ų102144 Ų14484%0.84378%0.78SS**  trans-114.9161.6-156.400000115.2
175G25.8Very low29Very low77 Ų77140.3 Ų140.379%0.79477%0.774SS**  trans114.5136.3178.200000111.7
176R28.6Very low28.8Very low228 Ų228141.1 Ų141.186%0.8679%0.786SS**  cis-157.1165.53.6-164.5171.5-176.8175-0.5110.7
177E27.3Very low28.8Very low150 Ų150139.9 Ų139.970%0.70179%0.785SS**  trans-59.2165.7172.2-46100.4146.900111.8
178D28.2Very low28.8Very low129 Ų129139.6 Ų139.669%0.6978%0.783SS**  cis-166163.524.3-148.9-2.4000113.8
179N29.1Very low28.9Very low139 Ų139137.3 Ų137.374%0.74378%0.783SS**  trans39155.7155.1-72.5-51.6000123.5
180A29.2Very low29Very low73 Ų73135.3 Ų135.360%0.60378%0.781SS**  cis168.1170.1-3000000108.7
181I33.1Very low29.6Very low165 Ų165136.4 Ų136.485%0.84679%0.786SS**  trans73.3134168.7-61.9170.7000115.3
182D28.3Very low29.8Very low120 Ų120132.4 Ų132.464%0.64279%0.785SS**  cis-165.6-161.1-23.6-162.8-102.3000108.5
183H31.4Very low29.4Very low150 Ų150132.5 Ų132.569%0.69479%0.789SS**  trans79.590.4160.5-66.24.3000119.4
184Q30.7Very low29.5Very low167 Ų167126.9 Ų126.978%0.7878%0.777SS**  52.3137.1109.7-66.4174.542.800119.7
185A27.4Very low29.7Very low96 Ų96128.4 Ų128.479%0.79377%0.77SS**  cis-158.6168.7-3.800000110.4
186A28.2Very low29.8Very low97 Ų97136 Ų13680%0.80278%0.775SS**  trans-95.4142.1-17600000114
187T26Very low29.9Very low148 Ų148130.2 Ų130.291%0.90877%0.765SS**  trans-146.7142.8150.8250000110.1
188S28.3Very low29.8Very low110 Ų110131.5 Ų131.577%0.76977%0.771SS**  trans-84.1141.8-176.153.60000114
189T28.6Very low29.7Very low147 Ų147132 Ų13290%0.90277%0.774SS**  trans-162.8152.3135.614.10000112.4
190S32.6Very low29.5Very low109 Ų109130.1 Ų130.176%0.76277%0.771SS**PPolyproline II helixtrans-76.4171.2177.1-33.10000112.5
191P38.1Very low29.5Very low119 Ų119131.1 Ų131.177%0.77377%0.774SS**PPolyproline II helixtrans-80.2160.2-165.633.2-36.3000114.6
192P30.3Very low29.2Very low126 Ų126134.8 Ų134.882%0.81878%0.777SS**PPolyproline II helixtrans-84.4120.3177.632.7-32.9000112.7
193S32.6Very low29.9Very low130 Ų130134.2 Ų134.291%0.90978%0.78SS**PPolyproline II helixtrans-77.3134.5159.3-62.60000109.9
194A30.6Very low29.5Very low83 Ų83136.7 Ų136.769%0.68679%0.791SS**  trans-132.7114.3-179.500000112.4
195L28.4Very low29.2Very low133 Ų133134.4 Ų134.470%0.69679%0.794SS**  trans59.1138.2138.5-56.8165.6000117.9
196W29.6Very low29Very low238 Ų238135.5 Ų135.590%0.90280%0.796SS**  cis-135.3134.133.2-70.573.9000113.8
197T28.9Very low28.8Very low106 Ų106140.3 Ų140.365%0.6579%0.793SS**  trans-104.9139.7155.950.60000109
198H27.1Very low28.8Very low176 Ų176142.8 Ų142.882%0.81579%0.787SS**  -165.6121.6117.7-115.1-70.5000113.8
199D24.2Very low28.6Very low141 Ų141145.1 Ų145.175%0.75479%0.79SS**  trans-87.1163.9152.8178.226.7000109.1
200S27Very low28.5Very low99 Ų99144 Ų14469%0.69278%0.783SS**  trans-147.467.6174.8-69.70000112.5
201S28.3Very low28.1Very low94 Ų94147.9 Ų147.966%0.65779%0.786SS**  trans34.511414262.80000119.7
202R27.5Very low27.5Very low242 Ų242150.6 Ų150.691%0.91379%0.789SS**  82.2168.886.4-112.4-160.4167.1-167.5-1.2114.6
203P41.6Very low27.4Very low107 Ų107152.2 Ų152.270%0.69579%0.79SS**  -127.1176.1-121.941.8-24.7000115.4
204Q24Very low27Very low202 Ų202152.8 Ų152.894%0.94478%0.783SS**  trans-141.5155157.6-108.1178.88.900112
205S23.4Very low27Very low120 Ų120157.6 Ų157.684%0.83980%0.796SS**  trans-139.3136-177.8178.70000109.9
206S23.1Very low26.9Very low118 Ų118158.5 Ų158.583%0.82580%0.801SS**  trans-152.6171.7161.3-162.90000110.1
207R25.6Very low26.9Very low199 Ų199151.4 Ų151.475%0.75179%0.794SS**  trans-113.8-176.5-160.5-54174.9-173.5154.60112.8
208Y24.7Very low26.9Very low199 Ų199150.4 Ų150.478%0.7880%0.796SS**  trans80.4143.9170.9-52.2-75.7000114.5
209L25Very low26.9Very low159 Ų159147.8 Ų147.883%0.83279%0.792SS**  cis-146.8155.53.9-134.1173.3000110.5
210V26.7Very low27.1Very low125 Ų125148.2 Ų148.276%0.75879%0.793SS**  trans-78.6138.5173.7174.40000110.8
211K22.7Very low27.2Very low190 Ų190151.1 Ų151.183%0.82679%0.794SS**  trans-159.1114.8149.3-130.4178.7-178.1-176.60113
212E26.8Very low27.3Very low176 Ų176152.6 Ų152.682%0.82279%0.79SS**  trans-83.5159.6155.6-61.4178.6139.600109.4
213L28Very low27.1Very low159 Ų159146.9 Ų146.983%0.83278%0.778SS**  trans-165.7134.9148.2-103.2-177000109.4
214D25Very low26.4Very low143 Ų143148.8 Ų148.877%0.76578%0.781SS**  trans-73.7164.1177.2-50-89.1000113.6
215L30.3Very low26.5Very low184 Ų184144.4 Ų144.496%0.96377%0.773SS**  trans-150.8140143-14173.4000110.1
216D25.9Very low26.5Very low152 Ų152144 Ų14481%0.81377%0.77SS**  trans-137.7159.6-161.4-170.217.1000113
217A29.3Very low27.2Very low89 Ų89144.2 Ų144.274%0.73677%0.769SS**  trans63.6163.6174.200000116.9
218A28.5Very low27.3Very low85 Ų85143.5 Ų143.570%0.70277%0.774SS**  cis-149133.63.500000110.1
219V28.4Very low27.9Very low120 Ų120138.8 Ų138.873%0.72777%0.768SS**  95.4123.386.9165.90000115.7
220L28.5Very low27.9Very low150 Ų150136.2 Ų136.279%0.78576%0.763SS**  trans159.7109.1141.9-85.4178.1000107
221K28.6Very low27.9Very low161 Ų161139.7 Ų139.770%0.777%0.771SS**  64.4133.574-69.9-176.5164.5-114.70113.5
222Q29.6Very low28.1Very low124 Ų124138.8 Ų138.858%0.57977%0.77SS**  cis-165.8158.3-4.4-124.8172.8-93.800109.6
223D23.6Very low28Very low122 Ų122137.8 Ų137.865%0.65277%0.765SS**  trans59162.3146.9-58.1-17.5000121.2
224L27.3Very low27.7Very low147 Ų147134.9 Ų134.977%0.7776%0.758SS**  cis-170.5163.7-43.7-116.2168.7000108.5
225S24.9Very low28.8Very low110 Ų110133.1 Ų133.177%0.76975%0.754SS**  trans81.7141.8159.5-52.90000122.3
226S25.1Very low28.5Very low113 Ų113132.2 Ų132.279%0.7975%0.745SS**  trans-98.5-172.2165.5-46.60000109.9
227P37.8Very low28.5Very low122 Ų122131.1 Ų131.179%0.79274%0.744SS**  cis-140.8-166.83.643.3-21.8000117.1
228Q26.2Very low28.3Very low183 Ų183135.4 Ų135.486%0.85575%0.748SS**  trans-18.7174.2159.4-101.6-176.6-12.200121.9
229P37.5Very low28.1Very low100 Ų100137.9 Ų137.965%0.64976%0.755SS**  cis-143.7176-0.637.9-16.4000119.2
230S25.1Very low27.9Very low105 Ų105139.8 Ų139.873%0.73476%0.76SS**  trans44.2140.414166.30000125.7
231Q27.6Very low28.8Very low199 Ų199137.8 Ų137.893%0.9376%0.756SS**  trans-154.9178.3152.7-114.4173.344.800113.5
232Q26.9Very low28.4Very low171 Ų171137.6 Ų137.680%0.79976%0.762SS**  trans-141.6168.4-156.7-53.6171.3-58.100116.9
233H25.1Very low28.2Very low154 Ų154135.4 Ų135.471%0.71377%0.766SS**  trans81.6116.8144.4-88.9-65.5000125.4
234S21.2Very low28.4Very low98 Ų98139.2 Ų139.269%0.68578%0.78SS**  59.3168.3121.4-64.80000122.8
235P46.9Very low28.4Very low106 Ų106140.5 Ų140.569%0.68878%0.782SS**  cis-110.6-140.9-1.329.9-7.2000112
236E24Very low28.7Very low166 Ų166140.5 Ų140.578%0.77678%0.779SS**  cis-166.2-178.4-0.5-141.7150.773.200107.7
237V26.6Very low28.7Very low129 Ų129142.3 Ų142.378%0.78278%0.775SS**  cis-139.6-126.46.7-160.20000110.6
238E24.8Very low28.1Very low178 Ų178145.3 Ų145.383%0.83278%0.776SS**  trans-141.4160.2-171-60.6-170.5132.500115.9
239V23.9Very low28Very low138 Ų138140.6 Ų140.684%0.83677%0.768SS**  159.1150.6126.61630000112.3
240L24.4Very low27.6Very low160 Ų160147.2 Ų147.284%0.83878%0.78SS**  trans-126.1-178.1-171-83.8173.3000111.6
241P47.8Very low28.1Very low107 Ų107147.7 Ų147.770%0.69578%0.78SS**  cis-128.6-173.6-19.238-20.1000113.3
242D20.8Very low27.9Very low157 Ų157149.5 Ų149.584%0.8478%0.779SS**  175.7167.9103-135.3-26.7000115.3
243A25.4Very low27.8Very low79 Ų79145 Ų14565%0.65377%0.771SS**  trans74.992.5158.500000123.2
244E26.1Very low27.8Very low202 Ų202146.4 Ų146.494%0.94478%0.777SS**  trans66110.9132.3-53-154.1119.800124.9
245E27.5Very low28.1Very low174 Ų174153.7 Ų153.781%0.81379%0.79SS**  trans-147.4135.3147.8-175.4-171.6-13200110.5
246P31.1Very low27.3Very low109 Ų109159.6 Ų159.671%0.70880%0.799SS**  trans-101.1130.8166.235.4-28.5000111.9
247Q25.7Very low27.5Very low152 Ų152163.8 Ų163.871%0.7181%0.807SS**  59.9134.464.6-60.8-176.740.600113.3
248F25.2Very low27.6Very low185 Ų185167.3 Ų167.381%0.81181%0.812SS**  cis-167.8172.22.7-115.3-34.1000108.5
249A23.4Very low27.7Very low83 Ų83162.5 Ų162.569%0.68681%0.811SS**  cis-160.6-137.4-1.800000111.6
250R30.1Very low28Very low239 Ų239161.2 Ų161.290%0.90281%0.814SS**  trans-135.6-166.6170.8-77.5-179.6152.6-169.3-4.7107
251P35.1Very low28.2Very low115 Ų115157.1 Ų157.175%0.74781%0.811SS**  cis-148.5-174.1641.9-19.1000119.2
252R22.7Very low27.5Very low238 Ų238162.2 Ų162.290%0.89882%0.822SS**  trans91.1123.4139.1-114.2-173175.6172.7-1123.7
253A24.9Very low27.9Very low76 Ų76166.3 Ų166.363%0.62883%0.826SS**  trans74.7122.4132.900000123.9
254E26.7Very low28.4Very low183 Ų183172.2 Ų172.286%0.85584%0.837SS**  trans61.8118.8136.5-61.8-178.1135.600122.5
255R27.2Very low28.6Very low251 Ų251168.8 Ų168.895%0.94783%0.832SS**  -166.5150.5118.4-104157-163.2-122.90.5114
256R29.3Very low28.5Very low231 Ų231170.4 Ų170.487%0.87283%0.832SS**  trans-60.9151.2174.3-67.3168.5164.8166.1-6.3112.4
257R29.1Very low28.4Very low253 Ų253170.5 Ų170.596%0.95583%0.834SS**  trans-130.3126142.5-80.6-169.5169.8173.6-2.1111.4
258K27.9Very low28.6Very low203 Ų203171 Ų17188%0.88384%0.838SS**  trans-88.5165.3161.6-76.5-175.9171.2-173.70108.7
259G27.3Very low29.1Very low78 Ų78173.6 Ų173.680%0.80484%0.843SS**  trans120.296.8147.200000115
260A31Very low29.7Very low110 Ų110174.4 Ų174.491%0.90984%0.843SS**  trans-77.4137.616300000110.1
261G26.9Very low30.3Very low75 Ų75166.4 Ų166.477%0.77382%0.824SS**  trans-119.3106.3173.900000110.8R263G261-R263 PolarHBondContact O-N 3.29Å
262K33.4Very low31Very low214 Ų214165.3 Ų165.393%0.9382%0.816SS**  trans-68.3125.9175.5-65.4-175.7177.9-174.90109.8
263R29Very low32Very low242 Ų242159.2 Ų159.291%0.91380%0.801SS**  trans-111.6130.6163.4-80.4-175.1164-172.6-5.9109G261G261-R263 PolarHBondContact O-N 3.29Å
264K36.3Very low32.8Very low203 Ų203162.3 Ų162.388%0.88380%0.802SS**  trans-82.6141.3171.7-63.7-177.9177.5-175.60109.3
265P30.5Very low33.8Very low131 Ų131155.9 Ų155.985%0.85178%0.78SS**  trans-72.1155.9161.732-33.2000110.5
266Y26Very low35Very low208 Ų208148.9 Ų148.982%0.81676%0.761SS**  trans-105.6131.4173.4-170.9-89.3000108.2M268Y266-M268 HydrophobicContact CE1-CE 4.28Å
267C28.7Very low35.9Very low110 Ų110140.7 Ų140.774%0.74374%0.743SS**  trans-89.5130.6-175.1-176.90000110.9
268M29.1Very low37Very low162 Ų162132.9 Ų132.980%0.79872%0.719SS**  trans-100.2145.7162.7-81.1-64.3-177.300110Y266Y266-M268 HydrophobicContact CE1-CE 4.28Å
269R36Very low38.2Very low241 Ų241129.6 Ų129.691%0.90971%0.707SS**  trans-105.192.2-154.1-174.7-178.4-179.3-165.30.6111.4
270S35.9Very low39.3Very low99 Ų99131.3 Ų131.369%0.69269%0.694SS**  trans-72.4165166.553.50000111.5
271S44Very low40.2Very low72 Ų72128.8 Ų128.850%0.50367%0.673SS.*  trans-60.8140.1177.6-167.80000111.3D273S271-D273 VanDerWaalsContact C-N 3.28Å; S271-D273 PolarHBondContact O-N 2.94Å
272T50Low41.3Very low92 Ų92133.4 Ų133.456%0.56467%0.667SS**Hα-helixtrans-65.9-32.9-179.838.40000112.5A275 L276T272-A275 PolarHBondContact O-N 3.45Å; T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.32Å; T272-L276 PolarHBondContact O-N 2.85Å
273D42.7Very low42.1Very low109 Ų109125.6 Ų125.658%0.58364%0.639SS**Hα-helixtrans-85.3-34.9-158.2-52.9-10.5000111.6S271 A277S271-D273 VanDerWaalsContact C-N 3.28Å; S271-D273 PolarHBondContact O-N 2.94Å; D273-A277 WeakPolarHBondContact O-CB 3.45Å; D273-A277 PolarHBondContact O-N 2.97Å
274E41.9Very low43.2Very low141 Ų141118.1 Ų118.166%0.65962%0.615SS**Hα-helixtrans-64.5-40.7166.7-83.1-169.510500112L276 A277 I278E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 2.95Å; E274-A277 PolarHBondContact O-N 3.43Å; E274-I278 WeakPolarHBondContact O-CB 3.3Å; E274-I278 VanDerWaalsContact O-CG1 3.28Å; E274-I278 WeakPolarHBondContact O-CG1 3.23Å; E274-I278 PolarHBondContact O-N 2.75Å
275A47.8Very low44Very low48 Ų48113.1 Ų113.140%0.39760%0.601SS.*Hα-helixtrans-63.2-43.8179.400000110.9T272 Q279T272-A275 PolarHBondContact O-N 3.45Å; A275-Q279 WeakPolarHBondContact O-CB 3.32Å; A275-Q279 PolarHBondContact O-N 2.9Å
276L51.9Low44.9Very low105 Ų105109 Ų10955%0.5558%0.579SS.*Hα-helixtrans-63.2-48.3174.2-71.9168.5000111.7T272 E274 I278 Q279 E280T272-L276 VanDerWaalsContact O-CG 3.3Å; T272-L276 WeakPolarHBondContact O-CG 3.32Å; T272-L276 PolarHBondContact O-N 2.85Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 2.95Å; L276-I278 VanDerWaalsContact C-N 3.35Å; L276-I278 PolarHBondContact O-N 3.24Å; L276-Q279 CarbonylContact O-C 3.54Å; L276-Q279 PolarHBondContact O-N 3.39Å; L276-Q279 VanDerWaalsContact O-N 3.14Å; L276-E280 WeakPolarHBondContact O-CB 3.34Å; L276-E280 PolarHBondContact O-N 3.31Å
277A49.5Very low46.3Very low58 Ų58105.2 Ų105.248%0.47957%0.568SS.*Hα-helixtrans-61.1-39.8179.400000113D273 E274 A281D273-A277 WeakPolarHBondContact O-CB 3.45Å; D273-A277 PolarHBondContact O-N 2.97Å; E274-A277 PolarHBondContact O-N 3.43Å; A277-A281 WeakPolarHBondContact O-CB 3.48Å; A277-A281 PolarHBondContact O-N 3.09Å
278I51.9Low47.6Very low90 Ų90106.2 Ų106.246%0.46256%0.56SS.*Hα-helixtrans-69.1-38.2175.5-67.7167000111E274 L276 R282E274-I278 WeakPolarHBondContact O-CB 3.3Å; E274-I278 VanDerWaalsContact O-CG1 3.28Å; E274-I278 WeakPolarHBondContact O-CG1 3.23Å; E274-I278 PolarHBondContact O-N 2.75Å; L276-I278 VanDerWaalsContact C-N 3.35Å; L276-I278 PolarHBondContact O-N 3.24Å; I278-R282 WeakPolarHBondContact O-CB 3.28Å; I278-R282 VanDerWaalsContact O-CG 3.24Å; I278-R282 WeakPolarHBondContact O-CG 3.45Å; I278-R282 PolarHBondContact O-N 3.09Å
279Q52.8Low48.5Very low134 Ų13499.6 Ų99.663%0.62653%0.531SS*.Hα-helixtrans-70.6-34.7178.1-172.4165.7-7.400112.2A275 L276 S283A275-Q279 WeakPolarHBondContact O-CB 3.32Å; A275-Q279 PolarHBondContact O-N 2.9Å; L276-Q279 CarbonylContact O-C 3.54Å; L276-Q279 PolarHBondContact O-N 3.39Å; L276-Q279 VanDerWaalsContact O-N 3.14Å; Q279-S283 PolarHBondContact O-N 2.89Å
280E50.3Low49.4Very low113 Ų11392 Ų9253%0.52851%0.508SS..Hα-helixtrans-73.7-42.1175.1-172.2173.2-164.700112.2L276 R282 S283 Q284L276-E280 WeakPolarHBondContact O-CB 3.34Å; L276-E280 PolarHBondContact O-N 3.31Å; E280-R282 VanDerWaalsContact C-N 3.27Å; E280-R282 PolarHBondContact O-N 3.23Å; E280-S283 WeakPolarHBondContact CA-OG 3.44Å; E280-S283 PolarHBondContact O-N 3.01Å; E280-S283 PolarHBondContact O-OG 2.86Å; E280-Q284 WeakPolarHBondContact O-CB 3.47Å; E280-Q284 WeakPolarHBondContact O-CG 3.48Å; E280-Q284 PolarHBondContact O-N 3.48Å
281A50.3Low50.5Low57 Ų5794 Ų9447%0.47151%0.507SS..Hα-helixtrans-59.4-40.2171.100000111.4A277 T285A277-A281 WeakPolarHBondContact O-CB 3.48Å; A277-A281 PolarHBondContact O-N 3.09Å; A281-T285 WeakPolarHBondContact O-CG2 3.32Å; A281-T285 PolarHBondContact O-N 3.48Å; A281-T285 VanDerWaalsContact O-N 3.15Å; A281-T285 PolarHBondContact O-OG1 3.21Å
282R49.7Very low50.9Low173 Ų17395.5 Ų95.565%0.65351%0.509SS*.Hα-helixtrans-63.3-49.9173-75.8174-174.5-164.54.7111.7I278 E280 Q284 T285 A286I278-R282 WeakPolarHBondContact O-CB 3.28Å; I278-R282 VanDerWaalsContact O-CG 3.24Å; I278-R282 WeakPolarHBondContact O-CG 3.45Å; I278-R282 PolarHBondContact O-N 3.09Å; E280-R282 VanDerWaalsContact C-N 3.27Å; E280-R282 PolarHBondContact O-N 3.23Å; R282-Q284 PolarHBondContact O-N 3.3Å; R282-T285 PolarHBondContact O-N 2.99Å; R282-T285 VanDerWaalsContact O-N 3.13Å; R282-T285 PolarHBondContact O-OG1 2.61Å; R282-A286 PolarHBondContact O-N 2.85Å
283S49.5Very low50.7Low49 Ų4992.7 Ų92.734%0.34349%0.488SS..Hα-helixtrans-62.2-40.5-178.569.60000112.1Q279 E280 T285 A286 Q287Q279-S283 PolarHBondContact O-N 2.89Å; E280-S283 WeakPolarHBondContact CA-OG 3.44Å; E280-S283 PolarHBondContact O-N 3.01Å; E280-S283 PolarHBondContact O-OG 2.86Å; S283-T285 VanDerWaalsContact C-N 3.35Å; S283-T285 PolarHBondContact O-N 2.88Å; S283-A286 PolarHBondContact O-N 3.47Å; S283-Q287 WeakPolarHBondContact O-CB 3.41Å; S283-Q287 VanDerWaalsContact O-CG 3.27Å; S283-Q287 WeakPolarHBondContact O-CG 3.47Å; S283-Q287 PolarHBondContact O-N 3.01Å
284Q52.8Low51.3Low86 Ų8691.5 Ų91.540%0.40249%0.493SS..Hα-helixtrans-63.3-36.8174.3-69.3-179.124.800112.7E280 R282 K288E280-Q284 WeakPolarHBondContact O-CB 3.47Å; E280-Q284 WeakPolarHBondContact O-CG 3.48Å; E280-Q284 PolarHBondContact O-N 3.48Å; R282-Q284 PolarHBondContact O-N 3.3Å; Q284-K288 WeakPolarHBondContact O-CB 3.46Å; Q284-K288 WeakPolarHBondContact O-CG 3.4Å; Q284-K288 PolarHBondContact O-N 3.24Å; Q284-K288 VanDerWaalsContact O-N 3.12Å
285T52.3Low51.8Low97 Ų9790.2 Ų90.260%0.59550%0.495SS*.Hα-helixtrans-72.9-31.1173.559.10000113.3A281 R282 S283 A289A281-T285 WeakPolarHBondContact O-CG2 3.32Å; A281-T285 PolarHBondContact O-N 3.48Å; A281-T285 VanDerWaalsContact O-N 3.15Å; A281-T285 PolarHBondContact O-OG1 3.21Å; R282-T285 PolarHBondContact O-N 2.99Å; R282-T285 VanDerWaalsContact O-N 3.13Å; R282-T285 PolarHBondContact O-OG1 2.61Å; S283-T285 VanDerWaalsContact C-N 3.35Å; S283-T285 PolarHBondContact O-N 2.88Å; T285-A289 WeakPolarHBondContact O-CB 3.46Å; T285-A289 PolarHBondContact O-N 3.18Å; T285-A289 VanDerWaalsContact O-N 3.13Å
286A50.2Low51.9Low46 Ų4689.9 Ų89.938%0.3849%0.486SS..Hα-helixtrans-70.6-45174.200000111.3R282 S283 A289 D290R282-A286 PolarHBondContact O-N 2.85Å; S283-A286 PolarHBondContact O-N 3.47Å; A286-A289 WeakPolarHBondContact O-CB 3.4Å; A286-A289 PolarHBondContact O-N 3.34Å; A286-D290 PolarHBondContact O-N 3.03Å
287Q55.4Low51.7Low127 Ų12789.2 Ų89.259%0.59349%0.489SS*.Hα-helixtrans-59.5-48.7175.9-74167.3-11.600111.8S283 A289 D290 E291S283-Q287 WeakPolarHBondContact O-CB 3.41Å; S283-Q287 VanDerWaalsContact O-CG 3.27Å; S283-Q287 WeakPolarHBondContact O-CG 3.47Å; S283-Q287 PolarHBondContact O-N 3.01Å; Q287-A289 VanDerWaalsContact C-N 3.26Å; Q287-A289 PolarHBondContact O-N 3.1Å; Q287-D290 PolarHBondContact O-N 3.13Å; Q287-E291 VanDerWaalsContact O-CB 3.32Å; Q287-E291 WeakPolarHBondContact O-CB 3.34Å; Q287-E291 PolarHBondContact O-N 2.87Å
288K55.4Low52Low132 Ų13292.6 Ų92.657%0.57450%0.503SS*.Hα-helixtrans-63.6-30.3176.2-74171-179.7168.20113.2Q284 L292Q284-K288 WeakPolarHBondContact O-CB 3.46Å; Q284-K288 WeakPolarHBondContact O-CG 3.4Å; Q284-K288 PolarHBondContact O-N 3.24Å; Q284-K288 VanDerWaalsContact O-N 3.12Å; K288-L292 WeakPolarHBondContact O-CD1 3.27Å; K288-L292 WeakPolarHBondContact O-CG 3.41Å
289A48Very low52.1Low23 Ų2391.3 Ų91.319%0.1950%0.497CS..Hα-helixtrans-69.2-53.5170.600000110.3T285 A286 Q287 E291 L292 Y293T285-A289 WeakPolarHBondContact O-CB 3.46Å; T285-A289 PolarHBondContact O-N 3.18Å; T285-A289 VanDerWaalsContact O-N 3.13Å; A286-A289 WeakPolarHBondContact O-CB 3.4Å; A286-A289 PolarHBondContact O-N 3.34Å; Q287-A289 VanDerWaalsContact C-N 3.26Å; Q287-A289 PolarHBondContact O-N 3.1Å; A289-E291 VanDerWaalsContact C-N 3.31Å; A289-E291 PolarHBondContact O-N 3.36Å; A289-L292 CarbonylContact O-C 3.57Å; A289-L292 WeakPolarHBondContact O-CA 3.49Å; A289-L292 WeakPolarHBondContact O-CB 3.27Å; A289-L292 PolarHBondContact O-N 3.43Å; A289-Y293 HydrophobicContact CB-CD2 4.28Å; A289-Y293 HydrophobicContact CB-CE2 4.19Å; A289-Y293 WeakPolarHBondContact O-CD2 3.43Å; A289-Y293 PolarHBondContact O-N 3.13Å
290D54.3Low52.1Low80 Ų8089.8 Ų89.843%0.42850%0.496SS..Hα-helixtrans-69.1-25.9-173.8-71.4-28.3000113.6A286 Q287 Y293 A294 K332A286-D290 PolarHBondContact O-N 3.03Å; Q287-D290 PolarHBondContact O-N 3.13Å; D290-Y293 PolarHBondContact O-N 3.15Å; D290-A294 WeakPolarHBondContact O-CB 3.06Å; D290-A294 PolarHBondContact O-N 3.12Å; D290-K332 IonicContact OD1-NZ 3.75Å; D290-K332 PolarHBondContact OD1-NZ 3.27Å
291E59.2Low52.1Low142 Ų14285.9 Ų85.966%0.66449%0.487SS*.Hα-helixtrans-62.5-40.5166.3-174.6174.4-154.100111.9Q287 A289 A294Q287-E291 VanDerWaalsContact O-CB 3.32Å; Q287-E291 WeakPolarHBondContact O-CB 3.34Å; Q287-E291 PolarHBondContact O-N 2.87Å; A289-E291 VanDerWaalsContact C-N 3.31Å; A289-E291 PolarHBondContact O-N 3.36Å; E291-A294 PolarHBondContact O-N 3.42Å
292L52.6Low52.2Low103 Ų10385.4 Ų85.454%0.53948%0.478SS..Hα-helixtrans-70.4-42.1172.2-65.9168.4000111.6K288 A289 A294 T295K288-L292 WeakPolarHBondContact O-CD1 3.27Å; K288-L292 WeakPolarHBondContact O-CG 3.41Å; A289-L292 CarbonylContact O-C 3.57Å; A289-L292 WeakPolarHBondContact O-CA 3.49Å; A289-L292 WeakPolarHBondContact O-CB 3.27Å; A289-L292 PolarHBondContact O-N 3.43Å; L292-A294 VanDerWaalsContact C-N 3.25Å; L292-A294 PolarHBondContact O-N 2.91Å; L292-T295 PolarHBondContact O-N 2.82Å; L292-T295 PolarHBondContact O-OG1 2.82Å
293Y47.1Very low52.2Low34 Ų3482.2 Ų82.213%0.13348%0.477CS..Hα-helixtrans-66.2-24.1176-72.5-79.2000112.7A289 D290 T295 L296 K332 L335 E341A289-Y293 HydrophobicContact CB-CD2 4.28Å; A289-Y293 HydrophobicContact CB-CE2 4.19Å; A289-Y293 WeakPolarHBondContact O-CD2 3.43Å; A289-Y293 PolarHBondContact O-N 3.13Å; D290-Y293 PolarHBondContact O-N 3.15Å; Y293-T295 VanDerWaalsContact C-N 3.25Å; Y293-T295 PolarHBondContact O-N 3.19Å; Y293-L296 HydrophobicContact CD1-CD1 3.71Å; Y293-L296 HydrophobicContact CE1-CD1 4.17Å; Y293-L296 WeakPolarHBondContact O-CB 3.21Å; Y293-L296 PolarHBondContact O-N 2.89Å; Y293-K332 HydrophobicContact CD1-CG 4.46Å; Y293-K332 HydrophobicContact CE1-CG 4.03Å; Y293-L335 HydrophobicContact CD1-CD1 4.34Å; Y293-L335 HydrophobicContact CE1-CB 4.13Å; Y293-L335 HydrophobicContact CE1-CD1 4.03Å; Y293-E341 PolarHBondContact OH-OE2 3.27Å
294A54.3Low52Low84 Ų8480.4 Ų80.469%0.69447%0.466SS*.THydrogen-bonded Turntrans-68.8-20.4175.400000113.7D290 E291 L292 L296D290-A294 WeakPolarHBondContact O-CB 3.06Å; D290-A294 PolarHBondContact O-N 3.12Å; E291-A294 PolarHBondContact O-N 3.42Å; L292-A294 VanDerWaalsContact C-N 3.25Å; L292-A294 PolarHBondContact O-N 2.91Å; A294-L296 VanDerWaalsContact C-N 3.32Å
295T51.9Low51.8Low114 Ų11483.9 Ų83.970%0.69949%0.486SS*.THydrogen-bonded Turntrans-82.9-7.9174.168.80000113.7L292 Y293L292-T295 PolarHBondContact O-N 2.82Å; L292-T295 PolarHBondContact O-OG1 2.82Å; Y293-T295 VanDerWaalsContact C-N 3.25Å; Y293-T295 PolarHBondContact O-N 3.19Å
296L50.6Low51.7Low40 Ų4085.3 Ų85.321%0.20949%0.485CS..SBendtrans-88.3141.2-179.1-61.5-179.4000111.1Y293 A294 T298 F320 L335Y293-L296 HydrophobicContact CD1-CD1 3.71Å; Y293-L296 HydrophobicContact CE1-CD1 4.17Å; Y293-L296 WeakPolarHBondContact O-CB 3.21Å; Y293-L296 PolarHBondContact O-N 2.89Å; A294-L296 VanDerWaalsContact C-N 3.32Å; L296-T298 PolarHBondContact O-N 2.62Å; L296-F320 HydrophobicContact CD2-CE2 3.83Å; L296-F320 HydrophobicContact CD2-CZ 3.68Å; L296-L335 HydrophobicContact CD1-CD1 4.17Å
297P48.4Very low51.7Low92 Ų9287.5 Ų87.560%0.59749%0.49SS*.  trans-52.4135.9173.6-2734.9000112I299P297-I299 PolarHBondContact O-N 3.09Å
298T54.9Low51.6Low128 Ų12892 Ų9279%0.78551%0.508SS*.  trans-45.1131.3-178-51.80000111.2L296 V300L296-T298 PolarHBondContact O-N 2.62Å; T298-V300 VanDerWaalsContact C-N 3.33Å; T298-V300 WeakPolarHBondContact O-CG2 3.37Å; T298-V300 PolarHBondContact O-N 3.11Å
299I53.7Low51.4Low63 Ų6389.8 Ų89.832%0.32350%0.502SS..  trans-67.690.9-177-60175.7000109.6P297 G301 F316 L331P297-I299 PolarHBondContact O-N 3.09Å; I299-G301 PolarHBondContact O-N 3Å; I299-G301 VanDerWaalsContact O-N 3.1Å; I299-F316 HydrophobicContact CG2-CD1 3.88Å; I299-L331 HydrophobicContact CG2-CD2 3.64Å
300V52.6Low51.9Low103 Ų10395.6 Ų95.662%0.62454%0.538SS*.  trans-68.6106.7175.8-175.40000109T298 V302T298-V300 VanDerWaalsContact C-N 3.33Å; T298-V300 WeakPolarHBondContact O-CG2 3.37Å; T298-V300 PolarHBondContact O-N 3.11Å; V300-V302 HydrophobicContact CG1-CG2 4.21Å; V300-V302 PolarHBondContact O-N 2.84Å
301G50.1Low52Low31 Ų3197.7 Ų97.732%0.3255%0.549SS..EExtended strand (participates in β ladder)trans-67.5118.5163.600000108.7I299I299-G301 PolarHBondContact O-N 3Å; I299-G301 VanDerWaalsContact O-N 3.1Å
302V54.1Low51.7Low47 Ų4795.1 Ų95.129%0.28554%0.544SS..EExtended strand (participates in β ladder)trans-97.8114.1178.5-179.50000107.8V300 G304 R315 K317V300-V302 HydrophobicContact CG1-CG2 4.21Å; V300-V302 PolarHBondContact O-N 2.84Å; V302-G304 PolarHBondContact O-N 2.93Å; V302-R315 PolarHBondContact N-O 3.21Å; V302-K317 HydrophobicContact CG2-CD 4.19Å; V302-K317 HydrophobicContact CG2-CG 4.31Å
303V48Very low52.1Low106 Ų10692.8 Ų92.864%0.64254%0.537SS*.  trans-70.187.8170.2-177.90000107.9M314V303-M314 HydrophobicContact CG2-SD 3.83Å
304G45.9Very low52.9Low10 Ų1096.1 Ų96.110%0.10356%0.555CS.*  trans-94.4121.6-177.200000112V302 F306V302-G304 PolarHBondContact O-N 2.93Å; G304-F306 PolarHBondContact O-N 2.92Å
305L49.9Very low53.9Low159 Ų15994.2 Ų94.283%0.83253%0.53SS*.  trans-68.825.3158.9-66.2170.2000112.3N307L305-N307 PolarHBondContact O-N 2.98Å
306F48.2Very low55.2Low128 Ų12890.1 Ų90.156%0.56150%0.502SS*.  trans-77.266174.8-69.8-72.4000110.8G304 R315G304-F306 PolarHBondContact O-N 2.92Å; F306-R315 PolarHBondContact O-NH2 2.92Å
307N50.4Low56.6Low92 Ų9292 Ų9249%0.49251%0.509SS..SBendtrans174.8156.6148.4-92.6-4.3000109.5L305 D309 R315L305-N307 PolarHBondContact O-N 2.98Å; N307-D309 HydrophobicContact CB-CB 3.97Å; N307-D309 VanDerWaalsContact CB-CG 3.47Å; N307-D309 WeakPolarHBondContact CB-OD2 3.28Å; N307-D309 PolarHBondContact ND2-OD2 3.14Å; N307-D309 PolarHBondContact O-N 3.02Å; N307-R315 PolarHBondContact ND2-NH2 2.83Å
308K55Low58.2Low221 Ų22188.1 Ų88.196%0.96148%0.484SS*.SBendtrans-76.441.4162-63-178.6179.7178.90111.4
309D49.9Very low59.2Low85 Ų8585.6 Ų85.646%0.45547%0.469SS..  trans-92.3128.5173.8-67.4-30000107.9N307 N311 R315N307-D309 HydrophobicContact CB-CB 3.97Å; N307-D309 VanDerWaalsContact CB-CG 3.47Å; N307-D309 WeakPolarHBondContact CB-OD2 3.28Å; N307-D309 PolarHBondContact ND2-OD2 3.14Å; N307-D309 PolarHBondContact O-N 3.02Å; D309-N311 PolarHBondContact O-N 3.09Å; D309-R315 IonicContact OD2-NH2 2.97Å
310P58.3Low60.2Low145 Ų14587.7 Ų87.794%0.94248%0.476SS*.SBendtrans-75.221.5-172.831.8-37.6000114.8
311N57.3Low61.5Low125 Ų12585.2 Ų85.267%0.66846%0.463SS*.SBendtrans-151.4116178.1-168.9-4.3000109.8D309 S313D309-N311 PolarHBondContact O-N 3.09Å; N311-S313 PolarHBondContact O-N 3.05Å; N311-S313 VanDerWaalsContact O-N 3.14Å
312P53.5Low62.9Low87 Ų8787.8 Ų87.857%0.56547%0.473SS*.  trans-67.1112.2-174.826.6-34.4000111.8
313S60.5Low64.1Low55 Ų5589.8 Ų89.839%0.38548%0.479SS..  trans-99.6120.9179.2-176.80000110.5N311N311-S313 PolarHBondContact O-N 3.05Å; N311-S313 VanDerWaalsContact O-N 3.14Å
314M62.6Low65.7Low103 Ų10388.2 Ų88.251%0.50747%0.47SS..  trans-54.2135.3175.1-77.2-110.9-86.600111.9V303V303-M314 HydrophobicContact CG2-SD 3.83Å
315R76.5Confident67.4Low44 Ų4488.6 Ų88.617%0.16647%0.47CS..EExtended strand (participates in β ladder)trans-132.5143179-64.3179.3-166.4-146.38.7111.1V302 F306 N307 D309 V325V302-R315 PolarHBondContact N-O 3.21Å; F306-R315 PolarHBondContact O-NH2 2.92Å; N307-R315 PolarHBondContact ND2-NH2 2.83Å; D309-R315 IonicContact OD2-NH2 2.97Å; R315-V325 WeakPolarHBondContact CA-O 3.42Å
316F78.6Confident68.8Low28 Ų2887.6 Ų87.612%0.12346%0.459CS..EExtended strand (participates in β ladder)trans-106.6122.7-179.5-54.6-90.1000108.5I299 T324 V325 R327 K328 L331I299-F316 HydrophobicContact CG2-CD1 3.88Å; F316-T324 WeakPolarHBondContact O-CA 3.46Å; F316-V325 HydrophobicContact CB-CG2 4.01Å; F316-V325 PolarHBondContact N-O 2.92Å; F316-V325 PolarHBondContact O-N 3.22Å; F316-R327 VanDerWaalsContact CD2-C 3.41Å; F316-K328 HydrophobicContact CD1-CB 4.39Å; F316-K328 HydrophobicContact CE1-CB 4.03Å; F316-K328 HydrophobicContact CE1-CG 4.34Å; F316-K328 HydrophobicContact CE2-CB 4.27Å; F316-K328 VanDerWaalsContact CE2-N 3.33Å; F316-K328 HydrophobicContact CZ-CB 3.97Å; F316-L331 HydrophobicContact CB-CB 4.28Å; F316-L331 HydrophobicContact CB-CD2 3.79Å
317K79.6Confident70.3Confident79 Ų7987.6 Ų87.634%0.34346%0.455SS..EExtended strand (participates in β ladder)trans-90.3145.3175.3-58.7-169.5177-1780109.5V302 T324 L331V302-K317 HydrophobicContact CG2-CD 4.19Å; V302-K317 HydrophobicContact CG2-CG 4.31Å; K317-T324 HydrophobicContact CB-CG2 4.48Å; K317-T324 HydrophobicContact CG-CG2 3.97Å; K317-L331 WeakPolarHBondContact O-CD2 3.41Å
318C82.5Confident71.6Confident12 Ų1289.4 Ų89.48%0.08146%0.459CS..  trans-77.2135.6168.8-175.60000110.4F320 C321 H323 L331 H334C318-F320 PolarHBondContact O-N 2.82Å; C318-F320 PolarHBondContact SG-N 2.89Å; C318-F320 VanDerWaalsContact SG-N 3.4Å; C318-C321 WeakPolarHBondContact CB-O 3.28Å; C318-H323 PolarHBondContact N-O 3.46Å; C318-L331 HydrophobicContact CB-CD1 3.9Å; C318-H334 WeakPolarHBondContact CB-NE2 3.41Å; C318-H334 PolarHBondContact SG-CD2 2.99Å; C318-H334 PolarHBondContact SG-NE2 3.24Å
319P76.4Confident72.7Confident74 Ų7481.4 Ų81.448%0.48143%0.434SS..SBendtrans-69.9-19.117428-34.8000113.3L335P319-L335 HydrophobicContact CG-CD2 4.31Å
320F74Confident74.2Confident107 Ų10778.4 Ų78.447%0.46942%0.418SS..SBendtrans-106.2-7.1-174-58.3-61.6000114.9L296 C318 L335 H338L296-F320 HydrophobicContact CD2-CE2 3.83Å; L296-F320 HydrophobicContact CD2-CZ 3.68Å; C318-F320 PolarHBondContact O-N 2.82Å; C318-F320 PolarHBondContact SG-N 2.89Å; C318-F320 VanDerWaalsContact SG-N 3.4Å; F320-L335 HydrophobicContact CD2-CD2 3.9Å; F320-L335 HydrophobicContact CE2-CD2 4.14Å; F320-H338 WeakPolarHBondContact CB-CE1 3.43Å; F320-H338 WeakPolarHBondContact CB-ND1 3.2Å; F320-H338 HydrophobicContact CD2-CB 4.07Å
321C80.8Confident75.3Confident52 Ų5271.5 Ų71.535%0.35137%0.373SS..SBendtrans-162.6169.7172.170.10000112.3C318 H323 H334 H338C318-C321 WeakPolarHBondContact CB-O 3.28Å; C321-H323 PolarHBondContact O-N 3.06Å; C321-H323 VanDerWaalsContact SG-CB 3.54Å; C321-H334 VanDerWaalsContact SG-CE1 3.54Å; C321-H334 PolarHBondContact SG-NE2 3.36Å; C321-H338 PolarHBondContact SG-NE2 3.43Å
322T79.6Confident76.4Confident85 Ų8569.1 Ų69.152%0.52136%0.357SS..SBendtrans-71.417.6-178.567.50000114.8R80R80-T322 VanDerWaalsContact NH2-CG2 3.3Å; R80-T322 PolarHBondContact NH2-OG1 3.41Å
323H77.8Confident77.7Confident89 Ų8968.9 Ų68.941%0.41235%0.345SS..  trans-81.5128-178.7-167.1-85.9000110.4C318 C321 V325 H334C318-H323 PolarHBondContact N-O 3.46Å; C321-H323 PolarHBondContact O-N 3.06Å; C321-H323 VanDerWaalsContact SG-CB 3.54Å; H323-V325 VanDerWaalsContact CE1-CG1 3.42Å; H323-V325 WeakPolarHBondContact CE1-CG1 3.33Å; H323-H334 AromaticContact CG-CE1 3.61Å; H323-H334 AromaticContact CG-ND1 3.75Å; H323-H334 AromaticContact ND1-CE1 3.89Å; H323-H334 AromaticContact ND1-CG 3.97Å; H323-H334 AromaticContact ND1-ND1 3.61Å
324T82.1Confident78.7Confident72 Ų7267.5 Ų67.544%0.44233%0.332SS..EExtended strand (participates in β ladder)trans-120.7143.3179.170.80000110.5F316 K317F316-T324 WeakPolarHBondContact O-CA 3.46Å; K317-T324 HydrophobicContact CB-CG2 4.48Å; K317-T324 HydrophobicContact CG-CG2 3.97Å
325V81Confident79.6Confident18 Ų1862.8 Ų62.811%0.10931%0.309CS..EExtended strand (participates in β ladder)trans-135.9156.9-176.9-62.50000111.9R315 F316 H323 R327 D330 L331R315-V325 WeakPolarHBondContact CA-O 3.42Å; F316-V325 HydrophobicContact CB-CG2 4.01Å; F316-V325 PolarHBondContact N-O 2.92Å; F316-V325 PolarHBondContact O-N 3.22Å; H323-V325 VanDerWaalsContact CE1-CG1 3.42Å; H323-V325 WeakPolarHBondContact CE1-CG1 3.33Å; V325-R327 WeakPolarHBondContact CG2-O 3.4Å; V325-D330 HydrophobicContact CB-CB 3.86Å; V325-D330 HydrophobicContact CG1-CB 4.09Å; V325-D330 HydrophobicContact CG2-CB 4.05Å; V325-L331 HydrophobicContact CG2-CB 3.7Å
326K80.8Confident79.9Confident138 Ų13863.1 Ų63.160%0.631%0.31SS*.SBendtrans-82.2-13.4-178.6-61.1-170.6177.7-169.90114.5
327R79.8Confident79.9Confident128 Ų12865.9 Ų65.948%0.48333%0.332SS..SBendtrans-138.1145.2-177.7-55.1-179.4-64.4166.32.7112.4F316 V325 A329 D330 L331F316-R327 VanDerWaalsContact CD2-C 3.41Å; V325-R327 WeakPolarHBondContact CG2-O 3.4Å; R327-A329 VanDerWaalsContact C-N 3.29Å; R327-A329 PolarHBondContact O-N 3.01Å; R327-D330 HydrophobicContact CB-CB 4.49Å; R327-D330 WeakPolarHBondContact CB-OD2 3.47Å; R327-D330 IonicContact CZ-OD1 3.9Å; R327-D330 IonicContact CZ-OD2 2.78Å; R327-D330 IonicContact NE-OD1 2.63Å; R327-D330 IonicContact NE-OD2 2.9Å; R327-D330 PolarHBondContact NE-OD2 2.94Å; R327-D330 IonicContact NH2-OD1 3.73Å; R327-D330 PolarHBondContact NH2-OD1 3.46Å; R327-D330 IonicContact NH2-OD2 3.8Å; R327-D330 PolarHBondContact NH2-OD2 3.09Å; R327-D330 WeakPolarHBondContact O-CB 3.38Å; R327-D330 PolarHBondContact O-N 3.04Å; R327-D330 VanDerWaalsContact O-N 3.08Å; R327-L331 PolarHBondContact O-N 3.26Å
328K76.6Confident79.7Confident131 Ų13165.9 Ų65.957%0.5733%0.333SS*.Hα-helixtrans-57.2-39.3176.7-166176.5-178.6179.90112.2F316 D330 L331 K332F316-K328 HydrophobicContact CD1-CB 4.39Å; F316-K328 HydrophobicContact CE1-CB 4.03Å; F316-K328 HydrophobicContact CE1-CG 4.34Å; F316-K328 HydrophobicContact CE2-CB 4.27Å; F316-K328 VanDerWaalsContact CE2-N 3.33Å; F316-K328 HydrophobicContact CZ-CB 3.97Å; K328-D330 PolarHBondContact O-N 3.24Å; K328-L331 WeakPolarHBondContact O-CB 3.36Å; K328-L331 PolarHBondContact O-N 3.36Å; K328-L331 VanDerWaalsContact O-N 3.09Å; K328-K332 PolarHBondContact O-N 2.94Å
329A78.8Confident79.5Confident53 Ų5368.4 Ų68.444%0.43835%0.348SS..Hα-helixtrans-63.2-38.4174.900000113.4R327 L331 K332 R333R327-A329 VanDerWaalsContact C-N 3.29Å; R327-A329 PolarHBondContact O-N 3.01Å; A329-L331 PolarHBondContact O-N 2.89Å; A329-K332 PolarHBondContact O-N 2.89Å; A329-R333 WeakPolarHBondContact O-CB 3.41Å; A329-R333 PolarHBondContact O-N 2.9Å
330D81.4Confident79.5Confident21 Ų2167.4 Ų67.411%0.11235%0.351CS..Hα-helixtrans-65.8-28174.2-65.2-48000111.3V325 R327 K328 R333 H334V325-D330 HydrophobicContact CB-CB 3.86Å; V325-D330 HydrophobicContact CG1-CB 4.09Å; V325-D330 HydrophobicContact CG2-CB 4.05Å; R327-D330 HydrophobicContact CB-CB 4.49Å; R327-D330 WeakPolarHBondContact CB-OD2 3.47Å; R327-D330 IonicContact CZ-OD1 3.9Å; R327-D330 IonicContact CZ-OD2 2.78Å; R327-D330 IonicContact NE-OD1 2.63Å; R327-D330 IonicContact NE-OD2 2.9Å; R327-D330 PolarHBondContact NE-OD2 2.94Å; R327-D330 IonicContact NH2-OD1 3.73Å; R327-D330 PolarHBondContact NH2-OD1 3.46Å; R327-D330 IonicContact NH2-OD2 3.8Å; R327-D330 PolarHBondContact NH2-OD2 3.09Å; R327-D330 WeakPolarHBondContact O-CB 3.38Å; R327-D330 PolarHBondContact O-N 3.04Å; R327-D330 VanDerWaalsContact O-N 3.08Å; K328-D330 PolarHBondContact O-N 3.24Å; D330-R333 IonicContact OD1-CZ 3.45Å; D330-R333 IonicContact OD1-NH1 3.24Å; D330-R333 PolarHBondContact OD1-NH1 3.31Å; D330-R333 IonicContact OD1-NH2 2.68Å; D330-R333 PolarHBondContact OD1-NH2 3.34Å; D330-H334 WeakPolarHBondContact O-CB 3.33Å; D330-H334 PolarHBondContact O-N 3.49Å
331L81.4Confident79.6Confident1 Ų164.4 Ų64.41%0.00534%0.338CS..Hα-helixtrans-77.8-46.8174.8-177.757.2000112.1I299 F316 K317 C318 V325 R327 K328 A329 R333 H334 L335I299-L331 HydrophobicContact CG2-CD2 3.64Å; F316-L331 HydrophobicContact CB-CB 4.28Å; F316-L331 HydrophobicContact CB-CD2 3.79Å; K317-L331 WeakPolarHBondContact O-CD2 3.41Å; C318-L331 HydrophobicContact CB-CD1 3.9Å; V325-L331 HydrophobicContact CG2-CB 3.7Å; R327-L331 PolarHBondContact O-N 3.26Å; K328-L331 WeakPolarHBondContact O-CB 3.36Å; K328-L331 PolarHBondContact O-N 3.36Å; K328-L331 VanDerWaalsContact O-N 3.09Å; A329-L331 PolarHBondContact O-N 2.89Å; L331-R333 PolarHBondContact O-N 2.8Å; L331-H334 HydrophobicContact CD1-CB 4.42Å; L331-H334 CarbonylContact O-C 3.53Å; L331-H334 WeakPolarHBondContact O-CA 3.33Å; L331-H334 WeakPolarHBondContact O-CB 3.46Å; L331-H334 PolarHBondContact O-N 3.08Å; L331-L335 HydrophobicContact CD1-CG 4.24Å; L331-L335 HydrophobicContact CG-CD1 4.41Å; L331-L335 HydrophobicContact CG-CG 4.4Å; L331-L335 WeakPolarHBondContact O-CG 3.46Å; L331-L335 PolarHBondContact O-N 2.9Å
332K80.8Confident79.5Confident75 Ų7568.3 Ų68.333%0.32635%0.345SS..Hα-helixtrans-58.8-33.8174.7-164.1171.8-173.6177.70111.1D290 Y293 K328 A329D290-K332 IonicContact OD1-NZ 3.75Å; D290-K332 PolarHBondContact OD1-NZ 3.27Å; Y293-K332 HydrophobicContact CD1-CG 4.46Å; Y293-K332 HydrophobicContact CE1-CG 4.03Å; K328-K332 PolarHBondContact O-N 2.94Å; A329-K332 PolarHBondContact O-N 2.89Å
333R80.2Confident79.5Confident82 Ų8267.1 Ų67.131%0.30934%0.339SS..Hα-helixtrans-70.6-33.7170.6-170.1-178.769-117.4-8113.7A329 D330 L331 R355A329-R333 WeakPolarHBondContact O-CB 3.41Å; A329-R333 PolarHBondContact O-N 2.9Å; D330-R333 IonicContact OD1-CZ 3.45Å; D330-R333 IonicContact OD1-NH1 3.24Å; D330-R333 PolarHBondContact OD1-NH1 3.31Å; D330-R333 IonicContact OD1-NH2 2.68Å; D330-R333 PolarHBondContact OD1-NH2 3.34Å; L331-R333 PolarHBondContact O-N 2.8Å; R333-R355 HydrophobicContact CG-CG 4.16Å
334H81.9Confident79.7Confident26 Ų2666 Ų6612%0.1233%0.332CS..Hα-helixtrans-71.8-42.8176.6168.282.4000111.9C318 C321 H323 D330 L331 R336 C337 H338C318-H334 WeakPolarHBondContact CB-NE2 3.41Å; C318-H334 PolarHBondContact SG-CD2 2.99Å; C318-H334 PolarHBondContact SG-NE2 3.24Å; C321-H334 VanDerWaalsContact SG-CE1 3.54Å; C321-H334 PolarHBondContact SG-NE2 3.36Å; H323-H334 AromaticContact CG-CE1 3.61Å; H323-H334 AromaticContact CG-ND1 3.75Å; H323-H334 AromaticContact ND1-CE1 3.89Å; H323-H334 AromaticContact ND1-CG 3.97Å; H323-H334 AromaticContact ND1-ND1 3.61Å; D330-H334 WeakPolarHBondContact O-CB 3.33Å; D330-H334 PolarHBondContact O-N 3.49Å; L331-H334 HydrophobicContact CD1-CB 4.42Å; L331-H334 CarbonylContact O-C 3.53Å; L331-H334 WeakPolarHBondContact O-CA 3.33Å; L331-H334 WeakPolarHBondContact O-CB 3.46Å; L331-H334 PolarHBondContact O-N 3.08Å; H334-R336 PolarHBondContact O-N 2.92Å; H334-C337 PolarHBondContact O-N 2.81Å; H334-C337 PolarHBondContact O-SG 3Å; H334-H338 AromaticContact NE2-CD2 3.89Å; H334-H338 AromaticContact NE2-NE2 3.57Å
335L80.9Confident79.4Confident4 Ų465.7 Ų65.72%0.02133%0.331CS..Hα-helixtrans-53.4-28.6178.6-72.1171.3000113.5Y293 L296 P319 F320 L331 C337 H338 T339Y293-L335 HydrophobicContact CD1-CD1 4.34Å; Y293-L335 HydrophobicContact CE1-CB 4.13Å; Y293-L335 HydrophobicContact CE1-CD1 4.03Å; L296-L335 HydrophobicContact CD1-CD1 4.17Å; P319-L335 HydrophobicContact CG-CD2 4.31Å; F320-L335 HydrophobicContact CD2-CD2 3.9Å; F320-L335 HydrophobicContact CE2-CD2 4.14Å; L331-L335 HydrophobicContact CD1-CG 4.24Å; L331-L335 HydrophobicContact CG-CD1 4.41Å; L331-L335 HydrophobicContact CG-CG 4.4Å; L331-L335 WeakPolarHBondContact O-CG 3.46Å; L331-L335 PolarHBondContact O-N 2.9Å; L335-C337 PolarHBondContact O-N 2.8Å; L335-C337 VanDerWaalsContact O-N 3.09Å; L335-H338 WeakPolarHBondContact O-CA 3.25Å; L335-H338 WeakPolarHBondContact O-CB 3.28Å; L335-H338 PolarHBondContact O-N 3.21Å; L335-T339 PolarHBondContact O-N 2.74Å; L335-T339 PolarHBondContact O-OG1 3.04Å
336R82.1Confident79.3Confident51 Ų5165 Ų6519%0.19233%0.327CS..THydrogen-bonded Turntrans-58.1-17.7172.5-61.1-179.1-174.1172.1-0115H334 T339 G340 E341 Y344 T354H334-R336 PolarHBondContact O-N 2.92Å; R336-T339 WeakPolarHBondContact CA-OG1 3.2Å; R336-G340 PolarHBondContact O-N 3.14Å; R336-E341 HydrophobicContact CB-CB 4.38Å; R336-E341 HydrophobicContact CG-CB 4.27Å; R336-E341 PolarHBondContact O-N 2.82Å; R336-Y344 PolarHBondContact NH1-OH 2.8Å; R336-T354 PolarHBondContact NH1-O 3.32Å
337C79.3Confident79Confident85 Ų8567.2 Ų67.257%0.57434%0.34SS*.THydrogen-bonded Turntrans-81-20.4171.276.80000113.4H334 L335H334-C337 PolarHBondContact O-N 2.81Å; H334-C337 PolarHBondContact O-SG 3Å; L335-C337 PolarHBondContact O-N 2.8Å; L335-C337 VanDerWaalsContact O-N 3.09Å
338H76.2Confident78.4Confident79 Ų7963.8 Ų63.837%0.36634%0.338SS..THydrogen-bonded Turntrans-90.9-40.7174.4-67.5-81.8000111.5F320 C321 H334 L335 G340F320-H338 WeakPolarHBondContact CB-CE1 3.43Å; F320-H338 WeakPolarHBondContact CB-ND1 3.2Å; F320-H338 HydrophobicContact CD2-CB 4.07Å; C321-H338 PolarHBondContact SG-NE2 3.43Å; H334-H338 AromaticContact NE2-CD2 3.89Å; H334-H338 AromaticContact NE2-NE2 3.57Å; L335-H338 WeakPolarHBondContact O-CA 3.25Å; L335-H338 WeakPolarHBondContact O-CB 3.28Å; L335-H338 PolarHBondContact O-N 3.21Å; H338-G340 VanDerWaalsContact C-N 3.29Å; H338-G340 PolarHBondContact O-N 3.32Å
339T76.8Confident78.3Confident66 Ų6659.8 Ų59.841%0.40533%0.327SS..SBendtrans-76.9-12.5175.661.50000113.7L335 R336 E341L335-T339 PolarHBondContact O-N 2.74Å; L335-T339 PolarHBondContact O-OG1 3.04Å; R336-T339 WeakPolarHBondContact CA-OG1 3.2Å; T339-E341 PolarHBondContact O-N 2.89Å; T339-E341 VanDerWaalsContact OG1-CG 3.32Å; T339-E341 WeakPolarHBondContact OG1-CG 3.4Å; T339-E341 PolarHBondContact OG1-OE2 3.25Å
340G77Confident78.2Confident52 Ų5263.4 Ų63.454%0.53634%0.338SS..  trans70.85.8-17700000114.7R336 H338 R342R336-G340 PolarHBondContact O-N 3.14Å; H338-G340 VanDerWaalsContact C-N 3.29Å; H338-G340 PolarHBondContact O-N 3.32Å; G340-R342 WeakPolarHBondContact O-CG 3.47Å; G340-R342 PolarHBondContact O-N 2.8Å
341E75.7Confident77.8Confident45 Ų4565.6 Ų65.621%0.2135%0.347CS..  trans-61.8121.2-175-75.8178.8134.600113Y293 R336 T339 P343Y293-E341 PolarHBondContact OH-OE2 3.27Å; R336-E341 HydrophobicContact CB-CB 4.38Å; R336-E341 HydrophobicContact CG-CB 4.27Å; R336-E341 PolarHBondContact O-N 2.82Å; T339-E341 PolarHBondContact O-N 2.89Å; T339-E341 VanDerWaalsContact OG1-CG 3.32Å; T339-E341 WeakPolarHBondContact OG1-CG 3.4Å; T339-E341 PolarHBondContact OG1-OE2 3.25Å; E341-P343 VanDerWaalsContact C-CD 3.46Å; E341-P343 VanDerWaalsContact O-CD 3.28Å; E341-P343 WeakPolarHBondContact O-CD 3.41Å
342R79.1Confident77.9Confident133 Ų13372.4 Ų72.450%0.50237%0.373SS..  trans-120.776177.6-64.5166.880.7141.23.6109.7G340 Y344 R352 F353 T354G340-R342 WeakPolarHBondContact O-CG 3.47Å; G340-R342 PolarHBondContact O-N 2.8Å; R342-Y344 VanDerWaalsContact C-N 3.31Å; R342-Y344 PolarHBondContact O-N 3.42Å; R342-R352 HydrophobicContact CB-CB 3.62Å; R342-R352 VanDerWaalsContact CZ-O 3.26Å; R342-R352 PolarHBondContact NE-O 2.72Å; R342-R352 PolarHBondContact NH2-O 2.73Å; R342-R352 PolarHBondContact O-NE 2.88Å; R342-R352 PolarHBondContact O-NH2 3.16Å; R342-F353 CarbonylContact C-O 3.57Å; R342-F353 VanDerWaalsContact C-O 3.27Å; R342-F353 VanDerWaalsContact CA-O 3.28Å; R342-F353 WeakPolarHBondContact CA-O 3.49Å; R342-T354 HydrophobicContact CG-CG2 3.82Å
343P79.3Confident77.9Confident60 Ų6070.5 Ų70.539%0.3936%0.364SS..  trans-77.3-9.2-171.430.7-35.7000114.4E341 P345E341-P343 VanDerWaalsContact C-CD 3.46Å; E341-P343 VanDerWaalsContact O-CD 3.28Å; E341-P343 WeakPolarHBondContact O-CD 3.41Å; P343-P345 WeakPolarHBondContact O-CD 3.44Å
344Y83.1Confident78Confident66 Ų6668.7 Ų68.726%0.25936%0.362SS..EExtended strand (participates in β ladder)trans-106.292.4-178-52.3-76.2000111.4R336 R342 R352 F353 T354 R355 L356R336-Y344 PolarHBondContact NH1-OH 2.8Å; R342-Y344 VanDerWaalsContact C-N 3.31Å; R342-Y344 PolarHBondContact O-N 3.42Å; Y344-R352 CarbonylContact O-C 3.59Å; Y344-R352 WeakPolarHBondContact O-CA 3.15Å; Y344-F353 WeakPolarHBondContact CD2-O 3.28Å; Y344-F353 PolarHBondContact N-O 3.38Å; Y344-F353 VanDerWaalsContact N-O 3.16Å; Y344-F353 PolarHBondContact O-N 2.72Å; Y344-T354 WeakPolarHBondContact CE2-O 2.94Å; Y344-R355 VanDerWaalsContact CE2-CA 3.48Å; Y344-L356 HydrophobicContact CD1-CB 4.14Å; Y344-L356 HydrophobicContact CD1-CD1 3.92Å; Y344-L356 HydrophobicContact CE1-CB 3.96Å; Y344-L356 HydrophobicContact CE1-CD1 4.26Å
345P76.3Confident77.9Confident66 Ų6671.4 Ų71.443%0.42937%0.372SS..EExtended strand (participates in β ladder)trans-76.4144.1171.932.2-35.1000112P343 K351 R352 L359P343-P345 WeakPolarHBondContact O-CD 3.44Å; P345-K351 CarbonylContact C-O 3.53Å; P345-R352 HydrophobicContact CB-CG 4.33Å; P345-L359 WeakPolarHBondContact O-CD2 3.11Å
346C77.8Confident77.9Confident2 Ų275 Ų751%0.01439%0.39CS..  trans-84.8112.8165.9-176.40000109.6A348 C349 N350 K351 F353 L359C346-A348 PolarHBondContact O-N 3.18Å; C346-A348 VanDerWaalsContact O-N 3.14Å; C346-C349 PolarHBondContact O-N 2.78Å; C346-N350 WeakPolarHBondContact O-CA 3.43Å; C346-N350 PolarHBondContact O-N 2.74Å; C346-K351 PolarHBondContact N-O 3.14Å; C346-F353 HydrophobicContact CB-CE2 4.33Å; C346-L359 HydrophobicContact CB-CD1 3.52Å
347Q74.5Confident77.9Confident186 Ų18677.3 Ų77.387%0.86940%0.403SS*.THydrogen-bonded Turntrans-59.9-25.3-179.8-70.1169.1-36.700113.3
348A67.6Low78Confident55 Ų5577.1 Ų77.146%0.45539%0.394SS..THydrogen-bonded Turntrans-88.1-5.8-178.300000115.3C346 F363 H367C346-A348 PolarHBondContact O-N 3.18Å; C346-A348 VanDerWaalsContact O-N 3.14Å; A348-F363 HydrophobicContact CB-CE2 4.11Å; A348-H367 HydrophobicContact CB-CB 4.46Å; A348-H367 WeakPolarHBondContact CB-ND1 2.96Å; A348-H367 PolarHBondContact O-CE1 3.36Å
349C75.1Confident78.3Confident48 Ų4874.6 Ų74.632%0.32438%0.383SS..THydrogen-bonded Turntrans-157.113.9173.4680000115.3C346 K351 H362 H367C346-C349 PolarHBondContact O-N 2.78Å; C349-K351 PolarHBondContact O-N 2.9Å; C349-H362 PolarHBondContact SG-NE2 3.02Å; C349-H367 PolarHBondContact SG-NE2 3.23Å
350N75.7Confident78.5Confident129 Ų12978.9 Ų78.969%0.6939%0.392SS*.  trans53.39.6-178.7-64.4-38.1000117C346 R352C346-N350 WeakPolarHBondContact O-CA 3.43Å; C346-N350 PolarHBondContact O-N 2.74Å; N350-R352 PolarHBondContact O-N 2.96Å
351K74.1Confident78.6Confident67 Ų6779.5 Ų79.529%0.29139%0.388SS..  trans-66.1128.9174.1-73.4-173.3174.7-1700111.5P345 C346 C349 F353P345-K351 CarbonylContact C-O 3.53Å; C346-K351 PolarHBondContact N-O 3.14Å; C349-K351 PolarHBondContact O-N 2.9Å; K351-F353 HydrophobicContact CB-CE2 3.76Å; K351-F353 HydrophobicContact CB-CZ 4.06Å; K351-F353 WeakPolarHBondContact O-CD2 3.46Å; K351-F353 VanDerWaalsContact O-CE2 3.28Å; K351-F353 WeakPolarHBondContact O-CE2 3.24Å
352R82.1Confident78.8Confident144 Ų14478.4 Ų78.454%0.54338%0.383SS..EExtended strand (participates in β ladder)trans-98.6140.7-178-55.6-178.965156.52.1112.2R342 Y344 P345 N350R342-R352 HydrophobicContact CB-CB 3.62Å; R342-R352 VanDerWaalsContact CZ-O 3.26Å; R342-R352 PolarHBondContact NE-O 2.72Å; R342-R352 PolarHBondContact NH2-O 2.73Å; R342-R352 PolarHBondContact O-NE 2.88Å; R342-R352 PolarHBondContact O-NH2 3.16Å; Y344-R352 CarbonylContact O-C 3.59Å; Y344-R352 WeakPolarHBondContact O-CA 3.15Å; P345-R352 HydrophobicContact CB-CG 4.33Å; N350-R352 PolarHBondContact O-N 2.96Å
353F82Confident78.7Confident35 Ų3575.6 Ų75.615%0.15437%0.374CS..EExtended strand (participates in β ladder)trans-125.5152.5-178.6-61.8-91.1000111.7R342 Y344 C346 K351 H358 L359 H362R342-F353 CarbonylContact C-O 3.57Å; R342-F353 VanDerWaalsContact C-O 3.27Å; R342-F353 VanDerWaalsContact CA-O 3.28Å; R342-F353 WeakPolarHBondContact CA-O 3.49Å; Y344-F353 WeakPolarHBondContact CD2-O 3.28Å; Y344-F353 PolarHBondContact N-O 3.38Å; Y344-F353 VanDerWaalsContact N-O 3.16Å; Y344-F353 PolarHBondContact O-N 2.72Å; C346-F353 HydrophobicContact CB-CE2 4.33Å; K351-F353 HydrophobicContact CB-CE2 3.76Å; K351-F353 HydrophobicContact CB-CZ 4.06Å; K351-F353 WeakPolarHBondContact O-CD2 3.46Å; K351-F353 VanDerWaalsContact O-CE2 3.28Å; K351-F353 WeakPolarHBondContact O-CE2 3.24Å; F353-H358 HydrophobicContact CB-CB 4.4Å; F353-H358 HydrophobicContact CD1-CB 3.91Å; F353-H358 HydrophobicContact CG-CB 4.45Å; F353-L359 HydrophobicContact CB-CB 4.34Å; F353-L359 HydrophobicContact CD2-CB 4.07Å; F353-L359 HydrophobicContact CD2-CD1 4.01Å; F353-L359 HydrophobicContact CE2-CD1 4.21Å; F353-L359 HydrophobicContact CG-CB 4.31Å; F353-H362 HydrophobicContact CE1-CB 4.07Å; F353-H362 HydrophobicContact CE2-CB 4.24Å; F353-H362 AromaticContact CE2-CD2 3.25Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.43Å; F353-H362 AromaticContact CE2-CG 3.91Å; F353-H362 AromaticContact CE2-NE2 3.99Å; F353-H362 HydrophobicContact CZ-CB 3.69Å; F353-H362 AromaticContact CZ-CD2 3.2Å; F353-H362 WeakPolarHBondContact CZ-CD2 3.43Å; F353-H362 AromaticContact CZ-CG 3.41Å; F353-H362 VanDerWaalsContact CZ-CG 3.41Å; F353-H362 AromaticContact CZ-NE2 3.89Å
354T80.8Confident78.5Confident43 Ų4376.3 Ų76.326%0.26437%0.372SS..SBendtrans-79.7-18.9177.652.30000113.2R336 R342 Y344R336-T354 PolarHBondContact NH1-O 3.32Å; R342-T354 HydrophobicContact CG-CG2 3.82Å; Y344-T354 WeakPolarHBondContact CE2-O 2.94Å
355R81.6Confident77.8Confident84 Ų8476.2 Ų76.232%0.31738%0.379SS..SBendtrans-140.2144.3-176.7-53.8-175.5-172.9176.95.4112R333 Y344 E357 H358 L359R333-R355 HydrophobicContact CG-CG 4.16Å; Y344-R355 VanDerWaalsContact CE2-CA 3.48Å; R355-E357 VanDerWaalsContact C-N 3.32Å; R355-E357 HydrophobicContact CB-CG 3.95Å; R355-E357 WeakPolarHBondContact CD-OE1 3.37Å; R355-E357 IonicContact CZ-OE1 2.76Å; R355-E357 IonicContact NE-OE1 2.79Å; R355-E357 IonicContact NH1-OE1 3.52Å; R355-E357 PolarHBondContact NH1-OE1 2.98Å; R355-E357 PolarHBondContact O-N 2.94Å; R355-H358 PolarHBondContact O-N 2.96Å; R355-L359 PolarHBondContact O-N 3.14Å
356L80.8Confident77.4Confident79 Ų7975 Ų7541%0.41437%0.369SS..Hα-helixtrans-62.5-36.1177-172.866.4000112.5Y344 H358 L359 R360Y344-L356 HydrophobicContact CD1-CB 4.14Å; Y344-L356 HydrophobicContact CD1-CD1 3.92Å; Y344-L356 HydrophobicContact CE1-CB 3.96Å; Y344-L356 HydrophobicContact CE1-CD1 4.26Å; L356-H358 VanDerWaalsContact C-N 3.29Å; L356-H358 PolarHBondContact O-N 3.38Å; L356-L359 HydrophobicContact CD1-CD2 4.42Å; L356-L359 PolarHBondContact O-N 3.05Å; L356-R360 WeakPolarHBondContact O-CB 3.22Å; L356-R360 PolarHBondContact O-N 3.25Å
357E80.6Confident77Confident99 Ų9977.9 Ų77.946%0.46338%0.381SS..Hα-helixtrans-60.1-37.1176.973-165.8-179.100112.7R355 S361R355-E357 VanDerWaalsContact C-N 3.32Å; R355-E357 HydrophobicContact CB-CG 3.95Å; R355-E357 WeakPolarHBondContact CD-OE1 3.37Å; R355-E357 IonicContact CZ-OE1 2.76Å; R355-E357 IonicContact NE-OE1 2.79Å; R355-E357 IonicContact NH1-OE1 3.52Å; R355-E357 PolarHBondContact NH1-OE1 2.98Å; R355-E357 PolarHBondContact O-N 2.94Å; E357-S361 WeakPolarHBondContact O-CB 3.42Å; E357-S361 PolarHBondContact O-N 3.49Å
358H81Confident76.6Confident81 Ų8173.3 Ų73.338%0.37536%0.36SS..Hα-helixtrans-75.4-35.8177.7-61.1-23000111.5F353 R355 L356 H362F353-H358 HydrophobicContact CB-CB 4.4Å; F353-H358 HydrophobicContact CD1-CB 3.91Å; F353-H358 HydrophobicContact CG-CB 4.45Å; R355-H358 PolarHBondContact O-N 2.96Å; L356-H358 VanDerWaalsContact C-N 3.29Å; L356-H358 PolarHBondContact O-N 3.38Å; H358-H362 WeakPolarHBondContact O-CB 3.36Å; H358-H362 PolarHBondContact O-N 2.97Å
359L84.4Confident75.9Confident27 Ų2773.9 Ų73.914%0.14137%0.365CS..Hα-helixtrans-63.3-47.2170.2172.258.8000111P345 C346 F353 R355 L356 H362 F363P345-L359 WeakPolarHBondContact O-CD2 3.11Å; C346-L359 HydrophobicContact CB-CD1 3.52Å; F353-L359 HydrophobicContact CB-CB 4.34Å; F353-L359 HydrophobicContact CD2-CB 4.07Å; F353-L359 HydrophobicContact CD2-CD1 4.01Å; F353-L359 HydrophobicContact CE2-CD1 4.21Å; F353-L359 HydrophobicContact CG-CB 4.31Å; R355-L359 PolarHBondContact O-N 3.14Å; L356-L359 HydrophobicContact CD1-CD2 4.42Å; L356-L359 PolarHBondContact O-N 3.05Å; L359-H362 PolarHBondContact O-N 2.83Å; L359-F363 WeakPolarHBondContact O-CB 3.3Å; L359-F363 PolarHBondContact O-N 3.41Å
360R80.1Confident74.9Confident155 Ų15580.6 Ų80.659%0.58538%0.383SS*.Hα-helixtrans-59.1-50.3178.4-172.3-173.3-65.6169.7-1.9111.4L356 H362 F363 E364L356-R360 WeakPolarHBondContact O-CB 3.22Å; L356-R360 PolarHBondContact O-N 3.25Å; R360-H362 PolarHBondContact O-N 3.48Å; R360-F363 PolarHBondContact O-N 3.24Å; R360-E364 WeakPolarHBondContact O-CB 3.4Å; R360-E364 PolarHBondContact O-N 2.83Å
361S78.8Confident74Confident66 Ų6680.8 Ų80.846%0.46238%0.378SS..Hα-helixtrans-62.4-40.3177177.80000112.2E357 T365E357-S361 WeakPolarHBondContact O-CB 3.42Å; E357-S361 PolarHBondContact O-N 3.49Å; S361-T365 WeakPolarHBondContact O-CB 3.38Å; S361-T365 VanDerWaalsContact O-CG2 3.31Å; S361-T365 WeakPolarHBondContact O-CG2 3.49Å; S361-T365 PolarHBondContact O-N 3.23Å; S361-T365 PolarHBondContact O-OG1 3.36Å
362H79.8Confident73.7Confident22 Ų2278 Ų7810%0.10237%0.366CS..Hα-helixtrans-61.9-43.7173.516947.2000112C349 F353 H358 L359 R360 T365 I366 H367C349-H362 PolarHBondContact SG-NE2 3.02Å; F353-H362 HydrophobicContact CE1-CB 4.07Å; F353-H362 HydrophobicContact CE2-CB 4.24Å; F353-H362 AromaticContact CE2-CD2 3.25Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.43Å; F353-H362 AromaticContact CE2-CG 3.91Å; F353-H362 AromaticContact CE2-NE2 3.99Å; F353-H362 HydrophobicContact CZ-CB 3.69Å; F353-H362 AromaticContact CZ-CD2 3.2Å; F353-H362 WeakPolarHBondContact CZ-CD2 3.43Å; F353-H362 AromaticContact CZ-CG 3.41Å; F353-H362 VanDerWaalsContact CZ-CG 3.41Å; F353-H362 AromaticContact CZ-NE2 3.89Å; H358-H362 WeakPolarHBondContact O-CB 3.36Å; H358-H362 PolarHBondContact O-N 2.97Å; L359-H362 PolarHBondContact O-N 2.83Å; R360-H362 PolarHBondContact O-N 3.48Å; H362-T365 PolarHBondContact O-N 2.99Å; H362-T365 PolarHBondContact O-OG1 3.31Å; H362-I366 WeakPolarHBondContact ND1-CG1 3.47Å; H362-I366 VanDerWaalsContact O-CB 3.25Å; H362-I366 WeakPolarHBondContact O-CB 3.47Å; H362-I366 WeakPolarHBondContact O-CG1 3.36Å; H362-I366 PolarHBondContact O-N 2.96Å; H362-H367 AromaticContact CE1-NE2 3.84Å; H362-H367 AromaticContact NE2-NE2 3.75Å
363F77.3Confident73.2Confident74 Ų7474 Ų7433%0.32536%0.358SS..Hα-helixtrans-64.1-50.6178.6-163.1-108.3000111.1A348 L359 R360 T365 I366 H367 Q368A348-F363 HydrophobicContact CB-CE2 4.11Å; L359-F363 WeakPolarHBondContact O-CB 3.3Å; L359-F363 PolarHBondContact O-N 3.41Å; R360-F363 PolarHBondContact O-N 3.24Å; F363-T365 VanDerWaalsContact C-N 3.28Å; F363-T365 PolarHBondContact O-N 3.23Å; F363-I366 PolarHBondContact O-N 2.95Å; F363-H367 HydrophobicContact CD2-CB 3.78Å; F363-H367 HydrophobicContact CE2-CB 3.88Å; F363-H367 HydrophobicContact CG-CB 4.35Å; F363-H367 CarbonylContact O-C 3.57Å; F363-H367 WeakPolarHBondContact O-CA 3.42Å; F363-H367 PolarHBondContact O-N 3.45Å; F363-Q368 HydrophobicContact CD1-CB 3.74Å; F363-Q368 HydrophobicContact CE1-CB 3.73Å; F363-Q368 HydrophobicContact CE1-CG 4.32Å; F363-Q368 PolarHBondContact O-N 2.92Å
364E74.3Confident73Confident74 Ų7472.3 Ų72.335%0.34635%0.351SS..Hα-helixtrans-67.6-20.9-179.9-168.2171-155.200114.2R360 Q368 R370R360-E364 WeakPolarHBondContact O-CB 3.4Å; R360-E364 PolarHBondContact O-N 2.83Å; E364-Q368 VanDerWaalsContact O-O 3.05Å; E364-R370 HydrophobicContact CG-CB 4.41Å; E364-R370 VanDerWaalsContact OE1-CD 3.22Å; E364-R370 WeakPolarHBondContact OE1-CD 3.14Å; E364-R370 IonicContact OE1-NH1 3.54Å
365T68.4Low72.8Confident64 Ų6476.2 Ų76.239%0.39336%0.36SS..Hα-helixtrans-99.6-19.717856.80000115S361 H362 F363 L372S361-T365 WeakPolarHBondContact O-CB 3.38Å; S361-T365 VanDerWaalsContact O-CG2 3.31Å; S361-T365 WeakPolarHBondContact O-CG2 3.49Å; S361-T365 PolarHBondContact O-N 3.23Å; S361-T365 PolarHBondContact O-OG1 3.36Å; H362-T365 PolarHBondContact O-N 2.99Å; H362-T365 PolarHBondContact O-OG1 3.31Å; F363-T365 VanDerWaalsContact C-N 3.28Å; F363-T365 PolarHBondContact O-N 3.23Å; T365-L372 WeakPolarHBondContact O-CD2 3.45Å
366I69.8Low72.5Confident42 Ų4277.9 Ų77.922%0.21537%0.37CS..Hα-helixtrans-117-32.7-175.9-55.8-60.8000113.2H362 F363H362-I366 WeakPolarHBondContact ND1-CG1 3.47Å; H362-I366 VanDerWaalsContact O-CB 3.25Å; H362-I366 WeakPolarHBondContact O-CB 3.47Å; H362-I366 WeakPolarHBondContact O-CG1 3.36Å; H362-I366 PolarHBondContact O-N 2.96Å; F363-I366 PolarHBondContact O-N 2.95Å
367H68.9Low72.4Confident61 Ų6176.2 Ų76.228%0.28236%0.364SS..THydrogen-bonded Turntrans-122.1-36.3-168.9-65.5-72.9000114.8A348 C349 H362 F363A348-H367 HydrophobicContact CB-CB 4.46Å; A348-H367 WeakPolarHBondContact CB-ND1 2.96Å; A348-H367 PolarHBondContact O-CE1 3.36Å; C349-H367 PolarHBondContact SG-NE2 3.23Å; H362-H367 AromaticContact CE1-NE2 3.84Å; H362-H367 AromaticContact NE2-NE2 3.75Å; F363-H367 HydrophobicContact CD2-CB 3.78Å; F363-H367 HydrophobicContact CE2-CB 3.88Å; F363-H367 HydrophobicContact CG-CB 4.35Å; F363-H367 CarbonylContact O-C 3.57Å; F363-H367 WeakPolarHBondContact O-CA 3.42Å; F363-H367 PolarHBondContact O-N 3.45Å
368Q65.8Low72.1Confident91 Ų9179.8 Ų79.843%0.42538%0.378SS..SBendtrans-114.985.5-175.2-174.9165.865.100109.4F363 E364 R370F363-Q368 HydrophobicContact CD1-CB 3.74Å; F363-Q368 HydrophobicContact CE1-CB 3.73Å; F363-Q368 HydrophobicContact CE1-CG 4.32Å; F363-Q368 PolarHBondContact O-N 2.92Å; E364-Q368 VanDerWaalsContact O-O 3.05Å; Q368-R370 PolarHBondContact O-N 3.12Å
369A52.4Low71.9Confident67 Ų6781 Ų8155%0.55438%0.379SS*.  trans-60.4108.5-166.300000113.5L372A369-L372 HydrophobicContact CB-CG 4.35Å
370R54.3Low71.2Confident188 Ų18886.1 Ų86.171%0.70940%0.403SS*.SBendtrans-109.5-43156.4-87.7177.7159.8177.5-4.2112.9E364 Q368E364-R370 HydrophobicContact CG-CB 4.41Å; E364-R370 VanDerWaalsContact OE1-CD 3.22Å; E364-R370 WeakPolarHBondContact OE1-CD 3.14Å; E364-R370 IonicContact OE1-NH1 3.54Å; Q368-R370 PolarHBondContact O-N 3.12Å
371K57.1Low70.7Confident133 Ų13379.6 Ų79.658%0.57838%0.38SS*.  trans-146.999.7166.2-60.8-171.7179.8175.80109.5V373K371-V373 HydrophobicContact CB-CG2 3.94Å; K371-V373 PolarHBondContact O-N 2.99Å
372L66.6Low70.4Confident8 Ų880 Ų804%0.04238%0.38CS..EExtended strand (participates in β ladder)trans-70.6125.7162.5-59.9173.8000107T365 A369 Q380 V381 E383T365-L372 WeakPolarHBondContact O-CD2 3.45Å; A369-L372 HydrophobicContact CB-CG 4.35Å; L372-Q380 CarbonylContact O-C 3.57Å; L372-Q380 WeakPolarHBondContact O-CA 3.35Å; L372-V381 WeakPolarHBondContact CB-O 3.46Å; L372-V381 PolarHBondContact O-N 3.09Å; L372-E383 HydrophobicContact CD1-CG 3.6Å
373V71.9Confident69.6Low61 Ų6185.1 Ų85.137%0.3740%0.404SS..EExtended strand (participates in β ladder)trans-131.2135.2-171.71740000110.7K371 R375 R379 Q380K371-V373 HydrophobicContact CB-CG2 3.94Å; K371-V373 PolarHBondContact O-N 2.99Å; V373-R375 PolarHBondContact O-N 2.93Å; V373-R379 WeakPolarHBondContact CA-O 3.38Å; V373-Q380 HydrophobicContact CG2-CG 4.49Å
374C78.4Confident68.8Low0 Ų090.5 Ų90.50%043%0.43CS..  trans-70.3121.7175.6175.90000110.6K376 C377 K378 R379 V381 C399C374-K376 PolarHBondContact O-N 2.63Å; C374-K376 VanDerWaalsContact O-N 3.15Å; C374-C377 VanDerWaalsContact CB-SG 3.56Å; C374-C377 PolarHBondContact SG-SG 2.78Å; C374-K378 VanDerWaalsContact O-CA 3.26Å; C374-K378 WeakPolarHBondContact O-CA 3.34Å; C374-K378 PolarHBondContact O-N 3.23Å; C374-R379 PolarHBondContact N-O 3.47Å; C374-V381 HydrophobicContact CB-CG2 3.82Å; C374-V381 VanDerWaalsContact N-CG2 3.34Å; C374-C399 HydrophobicContact CB-CB 4.24Å; C374-C399 PolarHBondContact SG-N 2.92Å; C374-C399 VanDerWaalsContact SG-N 3.39Å; C374-C399 VanDerWaalsContact SG-SG 3.69Å
375R77.8Confident68.6Low124 Ų12489 Ų8947%0.46843%0.428SS..THydrogen-bonded Turntrans-57.5-30.3-179.4-173.2-179169.9-146.1-9.5113.7V373 E391 Y396 R397V373-R375 PolarHBondContact O-N 2.93Å; R375-E391 IonicContact CZ-OE2 3.18Å; R375-E391 IonicContact NH1-OE2 2.72Å; R375-E391 PolarHBondContact NH1-OE2 3.21Å; R375-E391 IonicContact NH2-OE2 3.42Å; R375-Y396 HydrophobicContact CB-CD2 3.44Å; R375-Y396 VanDerWaalsContact CB-CD2 3.44Å; R375-Y396 HydrophobicContact CB-CE2 4.03Å; R375-Y396 HydrophobicContact CB-CG 4.15Å; R375-Y396 HydrophobicContact CG-CD2 3.96Å; R375-Y396 HydrophobicContact CG-CE2 4.39Å; R375-Y396 HydrophobicContact CG-CG 4.36Å; R375-Y396 VanDerWaalsContact NH1-CZ 3.33Å; R375-R397 PolarHBondContact N-O 3.49Å
376K74.8Confident68.8Low120 Ų12086 Ų8652%0.52241%0.409SS..THydrogen-bonded Turntrans-83.1-67.4179-71.2-155174-168.90112.5C374 K378 M398 C402 T406C374-K376 PolarHBondContact O-N 2.63Å; C374-K376 VanDerWaalsContact O-N 3.15Å; K376-K378 PolarHBondContact O-N 3.02Å; K376-M398 HydrophobicContact CD-CE 4.1Å; K376-M398 HydrophobicContact CG-CE 4.29Å; K376-C402 HydrophobicContact CB-CB 4.46Å; K376-T406 HydrophobicContact CD-CG2 4.17Å
377C78.3Confident68.8Low43 Ų4390 Ų9029%0.29142%0.422SS..THydrogen-bonded Turntrans-86.1-1.9-172.667.80000115.1C374 R379 C402C374-C377 VanDerWaalsContact CB-SG 3.56Å; C374-C377 PolarHBondContact SG-SG 2.78Å; C377-R379 PolarHBondContact O-N 2.72Å; C377-R379 PolarHBondContact SG-NE 2.99Å; C377-C402 VanDerWaalsContact SG-SG 3.66Å
378K75Confident69.1Low174 Ų17490 Ų9076%0.75743%0.426SS*.  trans56.76.6-179.4-57.9179.1-177.1174.30116.1C374 K376C374-K378 VanDerWaalsContact O-CA 3.26Å; C374-K378 WeakPolarHBondContact O-CA 3.34Å; C374-K378 PolarHBondContact O-N 3.23Å; K376-K378 PolarHBondContact O-N 3.02Å
379R75.6Confident69.5Low107 Ų10786.7 Ų86.740%0.40441%0.412SS..  trans-64147.7170.6-70.6-177-83.5165.9-6.9110.3V373 C374 C377 V381 E401V373-R379 WeakPolarHBondContact CA-O 3.38Å; C374-R379 PolarHBondContact N-O 3.47Å; C377-R379 PolarHBondContact O-N 2.72Å; C377-R379 PolarHBondContact SG-NE 2.99Å; R379-V381 WeakPolarHBondContact O-CG2 3.39Å; R379-E401 IonicContact CZ-OE1 3.82Å; R379-E401 IonicContact CZ-OE2 3.18Å; R379-E401 IonicContact NH1-OE1 2.9Å; R379-E401 PolarHBondContact NH1-OE1 3.35Å; R379-E401 IonicContact NH1-OE2 2.78Å; R379-E401 PolarHBondContact NH1-OE2 3.43Å; R379-E401 IonicContact NH2-OE1 3.92Å; R379-E401 IonicContact NH2-OE2 2.67Å; R379-E401 PolarHBondContact NH2-OE2 3.1Å
380Q69.8Low70.2Confident135 Ų13586.7 Ų86.763%0.63141%0.407SS*.EExtended strand (participates in β ladder)trans-66.1150.6165.6-68.5-176.686.300109.5L372 V373L372-Q380 CarbonylContact O-C 3.57Å; L372-Q380 WeakPolarHBondContact O-CA 3.35Å; V373-Q380 HydrophobicContact CG2-CG 4.49Å
381V70.1Confident70.9Confident17 Ų1782.6 Ų82.610%0.10340%0.396CS..EExtended strand (participates in β ladder)trans-141162.3-172.6-154.50000108.2L372 C374 R379 S385 C399L372-V381 WeakPolarHBondContact CB-O 3.46Å; L372-V381 PolarHBondContact O-N 3.09Å; C374-V381 HydrophobicContact CB-CG2 3.82Å; C374-V381 VanDerWaalsContact N-CG2 3.34Å; R379-V381 WeakPolarHBondContact O-CG2 3.39Å; V381-S385 VanDerWaalsContact CG1-O 3.32Å; V381-S385 WeakPolarHBondContact CG1-O 3.25Å; V381-S385 VanDerWaalsContact CG1-OG 3.31Å; V381-S385 WeakPolarHBondContact CG1-OG 3.39Å; V381-C399 HydrophobicContact CG1-CB 3.99Å; V381-C399 HydrophobicContact CG2-CB 4.23Å
382T71.3Confident71.7Confident75 Ų7579.9 Ų79.946%0.4641%0.406SS..  trans-109.7173.9169.863.90000110.1Q384 S385 G386T382-Q384 PolarHBondContact O-N 3.28Å; T382-S385 PolarHBondContact N-OG 2.95Å; T382-S385 PolarHBondContact O-N 3.13Å; T382-S385 PolarHBondContact OG1-N 3.06Å; T382-S385 PolarHBondContact OG1-OG 3.03Å; T382-G386 PolarHBondContact O-N 3.15Å
383E63.3Low71.4Confident130 Ų13088.2 Ų88.261%0.60745%0.449SS*.THydrogen-bonded Turntrans-63.2-33.6176.7-60.4-166.613700112.5L372L372-E383 HydrophobicContact CD1-CG 3.6Å
384Q61.8Low70.4Confident187 Ų18793.2 Ų93.287%0.87446%0.462SS*.THydrogen-bonded Turntrans-75.7-37.2176.8-63.2172.1-8.100113T382T382-Q384 PolarHBondContact O-N 3.28Å
385S70.3Confident70Confident42 Ų42100.1 Ų100.129%0.29449%0.488SS..THydrogen-bonded Turntrans-912.9-174.456.20000114.6V381 T382 C399 T400V381-S385 VanDerWaalsContact CG1-O 3.32Å; V381-S385 WeakPolarHBondContact CG1-O 3.25Å; V381-S385 VanDerWaalsContact CG1-OG 3.31Å; V381-S385 WeakPolarHBondContact CG1-OG 3.39Å; T382-S385 PolarHBondContact N-OG 2.95Å; T382-S385 PolarHBondContact O-N 3.13Å; T382-S385 PolarHBondContact OG1-N 3.06Å; T382-S385 PolarHBondContact OG1-OG 3.03Å; S385-C399 VanDerWaalsContact O-CA 3.29Å; S385-C399 WeakPolarHBondContact O-CA 3.37Å; S385-T400 PolarHBondContact O-N 3.46Å
386G71.3Confident69.6Low1 Ų195.6 Ų95.61%0.0147%0.471CS..EExtended strand (participates in β ladder)trans-153.4124.217800000116.1T382 R397 M398T382-G386 PolarHBondContact O-N 3.15Å; G386-R397 VanDerWaalsContact O-CD 3.31Å; G386-R397 WeakPolarHBondContact O-CD 3.48Å; G386-R397 WeakPolarHBondContact O-CG 3.5Å; G386-R397 PolarHBondContact O-NH1 2.65Å; G386-M398 CarbonylContact C-O 3.27Å; G386-M398 VanDerWaalsContact C-O 3.29Å; G386-M398 WeakPolarHBondContact CA-O 3.43Å
387R70.9Confident69.6Low127 Ų12791.4 Ų91.448%0.47945%0.451SS..EExtended strand (participates in β ladder)trans-89.6157.7179.1-53.7-177.1177.6174.8-2.3111.5V389 R397 M398 I403 D410R387-V389 PolarHBondContact O-N 2.85Å; R387-R397 WeakPolarHBondContact O-CA 3.35Å; R387-R397 WeakPolarHBondContact O-CG 3.3Å; R387-M398 PolarHBondContact N-O 3Å; R387-M398 PolarHBondContact O-N 3.04Å; R387-I403 HydrophobicContact CB-CD1 3.73Å; R387-I403 HydrophobicContact CG-CD1 4.06Å; R387-D410 IonicContact CZ-OD1 3.72Å; R387-D410 IonicContact CZ-OD2 2.72Å; R387-D410 IonicContact NH1-OD1 2.67Å; R387-D410 PolarHBondContact NH1-OD1 3.41Å; R387-D410 IonicContact NH1-OD2 3.73Å; R387-D410 PolarHBondContact NH1-OD2 2.87Å
388V73.8Confident69.6Low61 Ų6189.4 Ų89.437%0.3744%0.438SS..EExtended strand (participates in β ladder)trans-90.6100.5175.3179.50000109.2R395 Y396 R397V388-R395 HydrophobicContact CG1-CB 3.97Å; V388-Y396 CarbonylContact C-O 3.56Å; V388-Y396 WeakPolarHBondContact CA-O 3.31Å; V388-R397 HydrophobicContact CG2-CB 4.49Å; V388-R397 HydrophobicContact CG2-CG 4.31Å
389V74.4Confident70Confident21 Ų2181.5 Ų81.513%0.12741%0.405CS..EExtended strand (participates in β ladder)trans-77.6140.8177.6-179.40000109.9R387 R395 Y396 M398 I403R387-V389 PolarHBondContact O-N 2.85Å; V389-R395 WeakPolarHBondContact O-CA 3.43Å; V389-Y396 HydrophobicContact CB-CE2 4.38Å; V389-Y396 PolarHBondContact N-O 3.45Å; V389-Y396 PolarHBondContact O-N 3.44Å; V389-M398 HydrophobicContact CB-SD 4.1Å; V389-M398 HydrophobicContact CG1-SD 4.38Å; V389-M398 HydrophobicContact CG2-CB 4.15Å; V389-M398 HydrophobicContact CG2-CG 4.18Å; V389-M398 HydrophobicContact CG2-SD 3.74Å; V389-I403 HydrophobicContact CG2-CD1 4.34Å; V389-I403 HydrophobicContact CG2-CG1 4.02Å
390C68Low70.1Confident67 Ų6779.1 Ų79.145%0.45340%0.402SS..EExtended strand (participates in β ladder)trans-112.4110.4178.1-60.90000110R395C390-R395 HydrophobicContact CB-CG 4.35Å; C390-R395 WeakPolarHBondContact SG-CD 3.49Å; C390-R395 VanDerWaalsContact SG-CG 3.53Å
391E68.8Low70.6Confident102 Ų10277 Ų7748%0.47739%0.392SS..EExtended strand (participates in β ladder)trans-108.985.5179.3-174-176.8-138.700107.7R375 L393 R394 Y396R375-E391 IonicContact CZ-OE2 3.18Å; R375-E391 IonicContact NH1-OE2 2.72Å; R375-E391 PolarHBondContact NH1-OE2 3.21Å; R375-E391 IonicContact NH2-OE2 3.42Å; E391-L393 PolarHBondContact O-N 2.8Å; E391-R394 PolarHBondContact N-O 2.97Å; E391-R394 PolarHBondContact O-N 3.28Å; E391-Y396 HydrophobicContact CB-CE1 3.67Å
392G72.8Confident71Confident76 Ų7676.3 Ų76.378%0.78439%0.388SS*.THydrogen-bonded Turntrans55.2-120.8-168.600000111.7R394G392-R394 PolarHBondContact O-N 2.83Å
393L60.3Low71.3Confident182 Ų18273.4 Ų73.495%0.95337%0.37SS*.THydrogen-bonded Turntrans-72.7-9.7178.6-65.1173.4000114.4E391E391-L393 PolarHBondContact O-N 2.8Å
394R50.8Low71.9Confident167 Ų16774.6 Ų74.663%0.6338%0.375SS*.EExtended strand (participates in β ladder)trans-101.4117.4-174.3-60.6-179.4-175.2-108.43110.6E391 G392 Y396E391-R394 PolarHBondContact N-O 2.97Å; E391-R394 PolarHBondContact O-N 3.28Å; G392-R394 PolarHBondContact O-N 2.83Å; R394-Y396 HydrophobicContact CB-CD1 4.5Å
395R69.9Low72.5Confident145 Ų14572.4 Ų72.455%0.54737%0.365SS..EExtended strand (participates in β ladder)trans-104.8133.1169.7-52.8-162.5-176.8165.5-1.3110.5V388 V389 C390V388-R395 HydrophobicContact CG1-CB 3.97Å; V389-R395 WeakPolarHBondContact O-CA 3.43Å; C390-R395 HydrophobicContact CB-CG 4.35Å; C390-R395 WeakPolarHBondContact SG-CD 3.49Å; C390-R395 VanDerWaalsContact SG-CG 3.53Å
396Y70.8Confident72.5Confident28 Ų2872.5 Ų72.511%0.1136%0.364CS..EExtended strand (participates in β ladder)trans-156.7152.6-178.557.2-86.7000111.8R375 V388 V389 E391 R394 M398R375-Y396 HydrophobicContact CB-CD2 3.44Å; R375-Y396 VanDerWaalsContact CB-CD2 3.44Å; R375-Y396 HydrophobicContact CB-CE2 4.03Å; R375-Y396 HydrophobicContact CB-CG 4.15Å; R375-Y396 HydrophobicContact CG-CD2 3.96Å; R375-Y396 HydrophobicContact CG-CE2 4.39Å; R375-Y396 HydrophobicContact CG-CG 4.36Å; R375-Y396 VanDerWaalsContact NH1-CZ 3.33Å; V388-Y396 CarbonylContact C-O 3.56Å; V388-Y396 WeakPolarHBondContact CA-O 3.31Å; V389-Y396 HydrophobicContact CB-CE2 4.38Å; V389-Y396 PolarHBondContact N-O 3.45Å; V389-Y396 PolarHBondContact O-N 3.44Å; E391-Y396 HydrophobicContact CB-CE1 3.67Å; R394-Y396 HydrophobicContact CB-CD1 4.5Å; Y396-M398 HydrophobicContact CD2-CG 3.86Å; Y396-M398 HydrophobicContact CD2-SD 4.29Å; Y396-M398 HydrophobicContact CE2-CG 3.58Å; Y396-M398 HydrophobicContact CE2-SD 3.42Å; Y396-M398 WeakPolarHBondContact CE2-SD 3.35Å
397R74.9Confident72.1Confident32 Ų3275.3 Ų75.312%0.12139%0.393CS..EExtended strand (participates in β ladder)trans-82.9140.1179.6-151178.7-78-109.216111.4R375 G386 R387 V388R375-R397 PolarHBondContact N-O 3.49Å; G386-R397 VanDerWaalsContact O-CD 3.31Å; G386-R397 WeakPolarHBondContact O-CD 3.48Å; G386-R397 WeakPolarHBondContact O-CG 3.5Å; G386-R397 PolarHBondContact O-NH1 2.65Å; R387-R397 WeakPolarHBondContact O-CA 3.35Å; R387-R397 WeakPolarHBondContact O-CG 3.3Å; V388-R397 HydrophobicContact CG2-CB 4.49Å; V388-R397 HydrophobicContact CG2-CG 4.31Å
398M78.4Confident71.6Confident1 Ų171.9 Ų71.91%0.00539%0.388CS..EExtended strand (participates in β ladder)trans-128.8149.2170.9-72.3176.456.400109.1K376 G386 R387 V389 Y396 C402 I403 T406K376-M398 HydrophobicContact CD-CE 4.1Å; K376-M398 HydrophobicContact CG-CE 4.29Å; G386-M398 CarbonylContact C-O 3.27Å; G386-M398 VanDerWaalsContact C-O 3.29Å; G386-M398 WeakPolarHBondContact CA-O 3.43Å; R387-M398 PolarHBondContact N-O 3Å; R387-M398 PolarHBondContact O-N 3.04Å; V389-M398 HydrophobicContact CB-SD 4.1Å; V389-M398 HydrophobicContact CG1-SD 4.38Å; V389-M398 HydrophobicContact CG2-CB 4.15Å; V389-M398 HydrophobicContact CG2-CG 4.18Å; V389-M398 HydrophobicContact CG2-SD 3.74Å; Y396-M398 HydrophobicContact CD2-CG 3.86Å; Y396-M398 HydrophobicContact CD2-SD 4.29Å; Y396-M398 HydrophobicContact CE2-CG 3.58Å; Y396-M398 HydrophobicContact CE2-SD 3.42Å; Y396-M398 WeakPolarHBondContact CE2-SD 3.35Å; M398-C402 HydrophobicContact CE-CB 3.86Å; M398-C402 WeakPolarHBondContact CE-O 3.35Å; M398-I403 HydrophobicContact CB-CD1 4.07Å; M398-I403 HydrophobicContact CB-CG1 3.63Å; M398-I403 HydrophobicContact CE-CG1 4.18Å; M398-T406 HydrophobicContact CE-CG2 4.03Å
399C83.1Confident70.4Confident9 Ų977.6 Ų77.66%0.06141%0.41CS..EExtended strand (participates in β ladder)trans-74.8156170.1600000111.2C374 V381 S385 E401 C402 I403C374-C399 HydrophobicContact CB-CB 4.24Å; C374-C399 PolarHBondContact SG-N 2.92Å; C374-C399 VanDerWaalsContact SG-N 3.39Å; C374-C399 VanDerWaalsContact SG-SG 3.69Å; V381-C399 HydrophobicContact CG1-CB 3.99Å; V381-C399 HydrophobicContact CG2-CB 4.23Å; S385-C399 VanDerWaalsContact O-CA 3.29Å; S385-C399 WeakPolarHBondContact O-CA 3.37Å; C399-E401 VanDerWaalsContact C-N 3.33Å; C399-E401 PolarHBondContact O-N 3.28Å; C399-C402 PolarHBondContact O-N 3.31Å; C399-C402 VanDerWaalsContact O-N 3.1Å; C399-C402 VanDerWaalsContact SG-SG 3.64Å; C399-I403 WeakPolarHBondContact O-CG1 2.92Å; C399-I403 PolarHBondContact O-N 3.24Å
400T78.2Confident69.3Low57 Ų5781.7 Ų81.735%0.3543%0.432SS..Hα-helixtrans-49.6-48179.6440000113.4S385 C402 I403 Q404S385-T400 PolarHBondContact O-N 3.46Å; T400-C402 PolarHBondContact O-N 3.21Å; T400-I403 WeakPolarHBondContact O-CB 3.29Å; T400-I403 PolarHBondContact O-N 3Å; T400-I403 VanDerWaalsContact O-N 3.13Å; T400-Q404 WeakPolarHBondContact O-CG 3.32Å; T400-Q404 PolarHBondContact O-N 3.48Å
401E79.3Confident67.9Low91 Ų9186.3 Ų86.343%0.42545%0.451SS..Hα-helixtrans-53-53.3175.7-64.3169-130.200111.6R379 C399 I403 Q404 E405R379-E401 IonicContact CZ-OE1 3.82Å; R379-E401 IonicContact CZ-OE2 3.18Å; R379-E401 IonicContact NH1-OE1 2.9Å; R379-E401 PolarHBondContact NH1-OE1 3.35Å; R379-E401 IonicContact NH1-OE2 2.78Å; R379-E401 PolarHBondContact NH1-OE2 3.43Å; R379-E401 IonicContact NH2-OE1 3.92Å; R379-E401 IonicContact NH2-OE2 2.67Å; R379-E401 PolarHBondContact NH2-OE2 3.1Å; C399-E401 VanDerWaalsContact C-N 3.33Å; C399-E401 PolarHBondContact O-N 3.28Å; E401-I403 VanDerWaalsContact C-N 3.25Å; E401-I403 PolarHBondContact O-N 3.39Å; E401-Q404 PolarHBondContact O-N 3.3Å; E401-E405 WeakPolarHBondContact O-CG 3.31Å; E401-E405 PolarHBondContact O-N 3.48Å
402C78.2Confident66.7Low2 Ų286.2 Ų86.21%0.01446%0.459CS..Hα-helixtrans-70.2-20.2-178.7-70.60000113.7K376 C377 M398 C399 T400 E405 T406K376-C402 HydrophobicContact CB-CB 4.46Å; C377-C402 VanDerWaalsContact SG-SG 3.66Å; M398-C402 HydrophobicContact CE-CB 3.86Å; M398-C402 WeakPolarHBondContact CE-O 3.35Å; C399-C402 PolarHBondContact O-N 3.31Å; C399-C402 VanDerWaalsContact O-N 3.1Å; C399-C402 VanDerWaalsContact SG-SG 3.64Å; T400-C402 PolarHBondContact O-N 3.21Å; C402-E405 WeakPolarHBondContact CA-OE2 3.38Å; C402-E405 PolarHBondContact SG-OE2 2.93Å; C402-T406 WeakPolarHBondContact O-CG2 3.26Å; C402-T406 PolarHBondContact O-N 2.91Å; C402-T406 PolarHBondContact O-OG1 3Å
403I78.2Confident65.7Low14 Ų1490.2 Ų90.27%0.07246%0.461CS..Hα-helixtrans-72.5-47.2172.8-67.9161.7000109.2R387 V389 M398 C399 T400 E401 T406 G407 C408R387-I403 HydrophobicContact CB-CD1 3.73Å; R387-I403 HydrophobicContact CG-CD1 4.06Å; V389-I403 HydrophobicContact CG2-CD1 4.34Å; V389-I403 HydrophobicContact CG2-CG1 4.02Å; M398-I403 HydrophobicContact CB-CD1 4.07Å; M398-I403 HydrophobicContact CB-CG1 3.63Å; M398-I403 HydrophobicContact CE-CG1 4.18Å; C399-I403 WeakPolarHBondContact O-CG1 2.92Å; C399-I403 PolarHBondContact O-N 3.24Å; T400-I403 WeakPolarHBondContact O-CB 3.29Å; T400-I403 PolarHBondContact O-N 3Å; T400-I403 VanDerWaalsContact O-N 3.13Å; E401-I403 VanDerWaalsContact C-N 3.25Å; E401-I403 PolarHBondContact O-N 3.39Å; I403-T406 WeakPolarHBondContact CA-OG1 3.45Å; I403-T406 CarbonylContact O-C 3.29Å; I403-T406 WeakPolarHBondContact O-CA 3.31Å; I403-T406 PolarHBondContact O-N 2.79Å; I403-T406 PolarHBondContact O-OG1 3.48Å; I403-G407 PolarHBondContact O-N 2.83Å; I403-G407 VanDerWaalsContact O-N 3.12Å; I403-C408 HydrophobicContact CG2-CB 4.42Å; I403-C408 WeakPolarHBondContact CG2-O 3.4Å
404Q76.1Confident64.5Low154 Ų15488.4 Ų88.472%0.7245%0.452SS*.Hα-helixtrans-60.3-43.9175.5-68.8168.6-16.800111.5T400 E401 T406 G407T400-Q404 WeakPolarHBondContact O-CG 3.32Å; T400-Q404 PolarHBondContact O-N 3.48Å; E401-Q404 PolarHBondContact O-N 3.3Å; Q404-T406 PolarHBondContact O-N 3.36Å; Q404-T406 VanDerWaalsContact O-N 3.09Å; Q404-G407 PolarHBondContact O-N 3.05Å
405E74.3Confident63.8Low141 Ų14183.8 Ų83.866%0.65946%0.456SS*.THydrogen-bonded Turntrans-55.6-24.5171.6-72.8172.4167.300113.8E401 C402E401-E405 WeakPolarHBondContact O-CG 3.31Å; E401-E405 PolarHBondContact O-N 3.48Å; C402-E405 WeakPolarHBondContact CA-OE2 3.38Å; C402-E405 PolarHBondContact SG-OE2 2.93Å
406T69.6Low62.2Low44 Ų4485.4 Ų85.427%0.2748%0.475SS..THydrogen-bonded Turntrans-103-7-177.949.50000115.4K376 M398 C402 I403 Q404 C408K376-T406 HydrophobicContact CD-CG2 4.17Å; M398-T406 HydrophobicContact CE-CG2 4.03Å; C402-T406 WeakPolarHBondContact O-CG2 3.26Å; C402-T406 PolarHBondContact O-N 2.91Å; C402-T406 PolarHBondContact O-OG1 3Å; I403-T406 WeakPolarHBondContact CA-OG1 3.45Å; I403-T406 CarbonylContact O-C 3.29Å; I403-T406 WeakPolarHBondContact O-CA 3.31Å; I403-T406 PolarHBondContact O-N 2.79Å; I403-T406 PolarHBondContact O-OG1 3.48Å; Q404-T406 PolarHBondContact O-N 3.36Å; Q404-T406 VanDerWaalsContact O-N 3.09Å; T406-C408 PolarHBondContact O-N 3.37Å
407G64.1Low60.4Low60 Ų6093.8 Ų93.862%0.61952%0.515SS*.THydrogen-bonded Turntrans61.822.9-175.800000114.2I403 Q404 E409I403-G407 PolarHBondContact O-N 2.83Å; I403-G407 VanDerWaalsContact O-N 3.12Å; Q404-G407 PolarHBondContact O-N 3.05Å; G407-E409 VanDerWaalsContact C-N 3.26Å; G407-E409 PolarHBondContact O-N 3.14Å
408C59.3Low58.2Low56 Ų5695.9 Ų95.938%0.37855%0.547SS..  trans-83.968.5177.7-62.90000110.7I403 T406I403-C408 HydrophobicContact CG2-CB 4.42Å; I403-C408 WeakPolarHBondContact CG2-O 3.4Å; T406-C408 PolarHBondContact O-N 3.37Å
409E49.9Very low55.8Low180 Ų180101 Ų10184%0.84159%0.59SS**PPolyproline II helixtrans-71.6160169-59.8-156144.800111.3G407G407-E409 VanDerWaalsContact C-N 3.26Å; G407-E409 PolarHBondContact O-N 3.14Å
410D50.5Low53.1Low108 Ų108106.2 Ų106.258%0.57863%0.626SS**PPolyproline II helixtrans-76.2133.4-156.2-51.6-77.3000113.9R387R387-D410 IonicContact CZ-OD1 3.72Å; R387-D410 IonicContact CZ-OD2 2.72Å; R387-D410 IonicContact NH1-OD1 2.67Å; R387-D410 PolarHBondContact NH1-OD1 3.41Å; R387-D410 IonicContact NH1-OD2 3.73Å; R387-D410 PolarHBondContact NH1-OD2 2.87Å
411L39Very low50.9Low163 Ų163112.3 Ų112.385%0.85365%0.651SS**PPolyproline II helixtrans-94.5128.5155.5-73.1175.5000108.5
412P42.5Very low48.5Very low101 Ų101116.5 Ų116.566%0.65667%0.67SS**PPolyproline II helixtrans-59.4147-180-25.234.5000113.5D414P412-D414 WeakPolarHBondContact CB-OD2 3.22Å
413I53.2Low46.7Very low159 Ų159121.1 Ų121.182%0.81570%0.7SS**  trans-98.173.8162.8-54179.4000107
414D35.4Very low44.2Very low144 Ų144124.6 Ų124.677%0.7773%0.731SS**  trans-92.9147.1171.5-82.4-49.7000111.2P412P412-D414 WeakPolarHBondContact CB-OD2 3.22Å
415G35.1Very low42Very low70 Ų70125.1 Ų125.172%0.72274%0.738SS**  trans93.269164.600000116.7
416L36.9Very low40.1Very low180 Ų180126.3 Ų126.394%0.94275%0.748SS**  trans-174.569.8131.5-100.8162.7000112
417E32Very low38.2Very low203 Ų203132.3 Ų132.395%0.94978%0.777SS**  trans-117.3140.7157.1-69.4-170146.200108.3
418G29.4Very low36.5Very low76 Ų76132.6 Ų132.678%0.78478%0.78SS**  trans154.288.1177.100000115.7
419A27.5Very low35.1Very low110 Ų110136.8 Ų136.891%0.90980%0.804SS**  trans64149.717200000117.3
420S27.5Very low34.1Very low118 Ų118135.7 Ų135.783%0.82580%0.804SS**  cis-126.3155.85.256.70000113.2
421E32.1Very low33.3Very low185 Ų185134.1 Ų134.186%0.86481%0.814SS**  trans-87152-177-57.7162.5119.500113.2
422E28Very low32.9Very low178 Ų178135.8 Ų135.883%0.83282%0.817SS**  trans164.7156.2142.1-90.5-74.383.900108.9
423P40.4Very low32.9Very low100 Ų100140.4 Ų140.465%0.64983%0.83SS**  -131-173.4-126.942-25.9000115.7
424A26.5Very low31.8Very low87 Ų87142.5 Ų142.572%0.71984%0.836SS**  trans73.1152.6172.500000114.8
425L29.7Very low32Very low164 Ų164143.8 Ų143.886%0.85984%0.843SS**  cis-116.1132.315.6-70.8157.7000113.7
426L33.4Very low31.7Very low167 Ų167143.1 Ų143.187%0.87484%0.836SS**  trans-76.2136.5150.2-74.6164.9000108.4
427L29.7Very low31.9Very low169 Ų169143.1 Ų143.189%0.88584%0.837SS**  trans-116.1124152.7-86.3169.6000107.1
428G29.3Very low31.8Very low66 Ų66139.1 Ų139.168%0.6883%0.827SS**  trans-71.5158.5-169.800000113.6
429V28.7Very low31.9Very low144 Ų144144.1 Ų144.187%0.87383%0.83SS**  trans-122.1100.6152.11770000105.2
430D28.7Very low31.9Very low157 Ų157149.5 Ų149.584%0.8483%0.826SS**  trans-64.5136.3166.3-53.6-47.7000107.5
431G34.6Very low31.9Very low76 Ų76148.4 Ų148.478%0.78482%0.818SS**  trans-84.9119.7-169.200000113.2
432E29.7Very low31.8Very low197 Ų197149.2 Ų149.292%0.92181%0.814SS**  trans-130.4140.3156.4-84.5179.2169.200109.2
433E42.9Very low31.9Very low199 Ų199148.8 Ų148.893%0.9382%0.816SS**  trans-96.9122.3-177.9-59.7179.4140.200109.9
434E30.8Very low31.6Very low202 Ų202148 Ų14894%0.94481%0.81SS**  trans-153.5148160.2-134.9175.6-161.600112.3
435D39.1Very low31.8Very low172 Ų172148.9 Ų148.992%0.9281%0.806SS**  trans-71.4133.9-176.8-81.7-58.8000112.6
436G29.3Very low31.9Very low56 Ų56148.7 Ų148.758%0.57781%0.806SS**  trans-177.8103.1175.300000115.7T438G436-T438 PolarHBondContact O-N 2.67Å; G436-T438 PolarHBondContact O-OG1 2.9Å; G436-T438 VanDerWaalsContact O-OG1 3.11Å
437D41Very low32.2Very low180 Ų180147.1 Ų147.196%0.96380%0.798SS**  trans-62.187.4177.6-138.3-20.1000111.6
438T28.9Very low32.7Very low119 Ų119147 Ų14773%0.7380%0.799SS**  trans-113.699.8-172.2-55.30000111.5G436 R440G436-T438 PolarHBondContact O-N 2.67Å; G436-T438 PolarHBondContact O-OG1 2.9Å; G436-T438 VanDerWaalsContact O-OG1 3.11Å; T438-R440 PolarHBondContact O-N 2.78Å
439Q31.7Very low33.5Very low181 Ų181150 Ų15085%0.84680%0.799SS**  trans-63.188.9175.3-175.6177.2-6.400111.1S441Q439-S441 VanDerWaalsContact C-N 3.33Å; Q439-S441 PolarHBondContact O-N 2.73Å
440R28.6Very low34.2Very low223 Ų223151 Ų15184%0.84280%0.799SS**  trans-67.685.9-175.8-156.1161.8-173.9154.6-1.4111.5T438 W442T438-R440 PolarHBondContact O-N 2.78Å; R440-W442 PolarHBondContact O-N 3.23Å
441S27.6Very low34.7Very low94 Ų94148.4 Ų148.466%0.65780%0.799SS**  trans-70.7116.7-176.8-170.80000111.2Q439 L443Q439-S441 VanDerWaalsContact C-N 3.33Å; Q439-S441 PolarHBondContact O-N 2.73Å; S441-L443 PolarHBondContact O-N 2.85Å; S441-L443 VanDerWaalsContact O-N 3.14Å
442W28.9Very low35Very low202 Ų202153.5 Ų153.577%0.76580%0.802SS**  trans-76.695.7167.5-70.297.3000109R440 V444R440-W442 PolarHBondContact O-N 3.23Å; W442-V444 VanDerWaalsContact C-N 3.26Å; W442-V444 PolarHBondContact O-N 2.86Å
443L30.7Very low35.1Very low170 Ų170151.7 Ų151.789%0.8980%0.799SS**  trans-64.988.1167.3-85.8164.7000109.5S441S441-L443 PolarHBondContact O-N 2.85Å; S441-L443 VanDerWaalsContact O-N 3.14Å
444V33.4Very low34.8Very low84 Ų84147.6 Ų147.651%0.50979%0.792SS.*  trans-92.7127.9160.6-178.20000106.6W442 D446W442-V444 VanDerWaalsContact C-N 3.26Å; W442-V444 PolarHBondContact O-N 2.86Å; V444-D446 PolarHBondContact O-N 3.38Å
445T31Very low35.2Very low104 Ų104141.6 Ų141.664%0.63878%0.784SS**  trans-69.2114.1175.143.40000110.3D447T445-D447 VanDerWaalsContact CB-OD2 3.3Å; T445-D447 WeakPolarHBondContact CB-OD2 3.45Å; T445-D447 PolarHBondContact O-N 2.79Å
446D32.1Very low35Very low160 Ų160138 Ų13886%0.85678%0.778SS**  trans-77.451172-69.6-49000111V444V444-D446 PolarHBondContact O-N 3.38Å
447D39.8Very low35.2Very low134 Ų134142.6 Ų142.672%0.71779%0.79SS**  trans-107.766-175.6-72.4-69.9000110.9T445T445-D447 VanDerWaalsContact CB-OD2 3.3Å; T445-D447 WeakPolarHBondContact CB-OD2 3.45Å; T445-D447 PolarHBondContact O-N 2.79Å
448D40Very low34.8Very low167 Ų167142.4 Ų142.489%0.89379%0.788SS**  trans-153.624.4177.2-131.6-14.3000112.6
449D46Very low35Very low130 Ų130144 Ų14470%0.69579%0.79SS**  trans-133.335.8-172-123.3-17.9000112.6
450L42.4Very low35.2Very low165 Ų165142.8 Ų142.886%0.86479%0.788SS**  trans-130.193.5169.8-75.5179.5000111.8
451A39.6Very low35.4Very low101 Ų101140.8 Ų140.884%0.83579%0.788SS**  trans-113.1106.4156.100000107.4
452E41.4Very low35.6Very low184 Ų184144.9 Ų144.986%0.8680%0.797SS**  trans-71.4130.9175.5-61.5-177.414700109.4
453D32.1Very low35.9Very low158 Ų158141 Ų14185%0.84580%0.795SS**  trans-137.678.9174.4-161.2-6.2000108.5G455D453-G455 PolarHBondContact O-N 3.43Å
454S36.7Very low36.1Very low114 Ų114142 Ų14280%0.79780%0.795SS**  trans-8689.6179.857.60000110
455G39.8Very low36.5Very low75 Ų75145 Ų14577%0.77381%0.808SS**  trans-61.9140174.300000112.7D453D453-G455 PolarHBondContact O-N 3.43Å
456A33.9Very low36.8Very low96 Ų96145.2 Ų145.279%0.79382%0.815SS**  trans-143.2145.4168.800000109.1
457D34.2Very low37.3Very low154 Ų154144.9 Ų144.982%0.82481%0.813SS**  trans-69.2145.5-161.1-57.1-75.1000115.5I459D457-I459 PolarHBondContact O-N 2.82Å
458L32.8Very low37.6Very low175 Ų175147.1 Ų147.192%0.91682%0.819SS**  trans-79.5100159.1-71.9172.1000108.9
459I32.5Very low37.7Very low152 Ų152146.6 Ų146.678%0.77981%0.811SS**  trans-80.4117.4164.3-64.2179.7000108D457D457-I459 PolarHBondContact O-N 2.82Å
460I36Very low37.6Very low157 Ų157146.8 Ų146.881%0.80581%0.811SS**  trans-70.4128.5166.8-60168.4000107.2
461Q32.4Very low37.5Very low180 Ų180150.5 Ų150.584%0.84182%0.824SS**  trans-118.3143.7163.7-168.6161.8-6.600108.9
462E32.6Very low37.4Very low181 Ų181153 Ų15385%0.84682%0.824SS**  trans-78.5162.2-163.4-65.4167.1126.300112.7
463V35.1Very low37.2Very low120 Ų120151.3 Ų151.373%0.72782%0.822SS**  trans-86117.1178.4-172.90000109.1
464E34Very low37.5Very low190 Ų190150.9 Ų150.989%0.88882%0.821SS**  trans-10999.2159.5-71-169.3135.700108.1S466E464-S466 PolarHBondContact O-N 3.11Å
465D41.2Very low37.5Very low147 Ų147153.1 Ų153.179%0.78682%0.822SS**  trans-71.4121.2168.3-71.7-47.8000108.9
466S38.5Very low37.4Very low110 Ų110158 Ų15877%0.76983%0.825SS**  trans-153.9140.5166.6-75.70000110.7E464E464-S466 PolarHBondContact O-N 3.11Å
467D42.5Very low37.6Very low153 Ų153162.1 Ų162.182%0.81883%0.827SS**  trans-49.6152.3-178.8-47-71.5000112.7
468E45Very low37.9Very low181 Ų181162.7 Ų162.785%0.84683%0.827SS**  -166.7149.475.6-87.4-177.3146.600114.3
469E43.5Very low38.3Very low156 Ų156161.8 Ų161.873%0.72982%0.821SS**  trans33.8129.7140.3-67.4-144.8122.300124.4
470L43.8Very low38.7Very low133 Ų133162.6 Ų162.670%0.69682%0.824SS**  trans70.4145.4141.2-59.1165.4000117.6
471Q40.3Very low39Very low243 Ų243163.1 Ų163.1100%1.13683%0.826SS**  cis-150.8020.1-153.4159.153.500112.6

Retrieved 471 of 471 residues in 2196.4 ms (Link to these results)