A0A077Z0X7_TRITR Loading...

Indigoidine A and PfkB domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0X7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 629 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
1M69.1Low92.6Very high190 Ų19041.9 Ų41.994%0.93621%0.21SC*.  0159.10-133.4-179.1-9800108.9F285M1-F285 VanDerWaalsContact C-CZ 3.48Å; M1-F285 HydrophobicContact CB-CE2 3.95Å; M1-F285 HydrophobicContact CB-CZ 3.83Å; M1-F285 WeakPolarHBondContact O-CE1 3.33Å; M1-F285 WeakPolarHBondContact O-CZ 3.42Å
2K84.4Confident92.7Very high147 Ų14738.8 Ų38.864%0.63919%0.194SC*.  trans-113150.8175.7-74.1-171.5178.7-174.40110.5V38K2-V38 HydrophobicContact CB-CG2 3.84Å; K2-V38 HydrophobicContact CD-CG2 4.1Å
3P93.9Very high92.7Very high15 Ų1537.6 Ų37.610%0.09719%0.19CC..  trans-59.7144.6172.522.9-31.1000111A37 V38 A281 A282 F285P3-A37 HydrophobicContact CB-CB 4.23Å; P3-A37 HydrophobicContact CG-CB 4.05Å; P3-A37 CarbonylContact O-C 3.51Å; P3-A37 WeakPolarHBondContact O-CA 3.48Å; P3-V38 PolarHBondContact O-N 3.19Å; P3-A281 HydrophobicContact CB-CB 4.14Å; P3-A281 WeakPolarHBondContact CB-O 3.45Å; P3-A282 HydrophobicContact CG-CB 4.15Å; P3-F285 HydrophobicContact CB-CB 3.82Å; P3-F285 HydrophobicContact CB-CD2 4.45Å; P3-F285 HydrophobicContact CB-CG 4.17Å; P3-F285 HydrophobicContact CG-CB 4.4Å
4V97.3Very high92.5Very high47 Ų4739.7 Ų39.729%0.28520%0.199SC..EExtended strand (participates in β ladder)trans-122.3137.2-179.1-174.70000109.3V38 A40 I101V4-V38 WeakPolarHBondContact CA-O 3.44Å; V4-V38 WeakPolarHBondContact CG1-O 3.38Å; V4-V38 HydrophobicContact CG2-CB 4.39Å; V4-A40 HydrophobicContact CG1-CB 3.56Å; V4-I101 HydrophobicContact CB-CG1 4.23Å; V4-I101 HydrophobicContact CB-CG2 4.31Å; V4-I101 HydrophobicContact CG1-CD1 3.67Å; V4-I101 HydrophobicContact CG1-CG1 3.92Å; V4-I101 HydrophobicContact CG1-CG2 4.21Å; V4-I101 WeakPolarHBondContact O-CG2 3.5Å
5V98.6Very high92Very high0 Ų038.5 Ų38.50%020%0.201CC..EExtended strand (participates in β ladder)trans-117.3119.8174.4177.50000109L7 V32 A37 V38 A40 C105 A277 A281V5-L7 HydrophobicContact CG1-CD2 4.31Å; V5-V32 HydrophobicContact CB-CG1 3.92Å; V5-V32 HydrophobicContact CB-CG2 4.44Å; V5-V32 HydrophobicContact CG1-CG2 4.43Å; V5-V32 HydrophobicContact CG2-CG1 4.05Å; V5-A37 HydrophobicContact CG2-CB 4.03Å; V5-V38 PolarHBondContact N-O 2.73Å; V5-A40 PolarHBondContact O-N 2.77Å; V5-C105 HydrophobicContact CG1-CB 3.82Å; V5-A277 HydrophobicContact CG1-CB 3.96Å; V5-A281 HydrophobicContact CG2-CB 3.62Å
6A98.6Very high91.8Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-74.5138.9174.200000110.8A40 T92 A96 I101 V103 L104 C105A6-A40 WeakPolarHBondContact CA-O 3.43Å; A6-T92 HydrophobicContact CB-CG2 4.31Å; A6-A96 HydrophobicContact CB-CB 3.69Å; A6-I101 HydrophobicContact CB-CG2 3.98Å; A6-V103 PolarHBondContact N-O 3.01Å; A6-L104 HydrophobicContact CB-CB 4.34Å; A6-L104 CarbonylContact O-C 3.54Å; A6-L104 WeakPolarHBondContact O-CA 3.47Å; A6-C105 PolarHBondContact O-N 3.43Å
7L98.6Very high91.6Very high7 Ų739.1 Ų39.14%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-122.9134.1177.3-58.2167.4000109.6V5 V28 E29 V32 P39 A40 V42 C105V5-L7 HydrophobicContact CG1-CD2 4.31Å; L7-V28 HydrophobicContact CD1-CG1 3.96Å; L7-V28 HydrophobicContact CD2-CG1 3.82Å; L7-E29 HydrophobicContact CD1-CG 3.87Å; L7-V32 HydrophobicContact CD2-CG2 4.47Å; L7-P39 HydrophobicContact CD1-CB 3.89Å; L7-A40 PolarHBondContact N-O 2.69Å; L7-V42 PolarHBondContact O-N 3.13Å; L7-C105 HydrophobicContact CD2-CB 3.72Å
8E96.5Very high91.5Very high17 Ų1744.2 Ų44.28%0.07923%0.226CC..  trans-73.7149.6173.371.6160.9168.600111.4T10 V11 V89 T92 T106E8-T10 PolarHBondContact OE2-OG1 2.78Å; E8-V11 HydrophobicContact CG-CG2 4Å; E8-V11 VanDerWaalsContact OE1-CG2 3.32Å; E8-V11 WeakPolarHBondContact OE1-CG2 3.44Å; E8-V89 WeakPolarHBondContact OE2-CG2 3.08Å; E8-V89 PolarHBondContact OE2-N 3.18Å; E8-T92 HydrophobicContact CB-CG2 4.3Å; E8-T92 WeakPolarHBondContact CB-OG1 3.4Å; E8-T106 VanDerWaalsContact CD-OG1 3.3Å; E8-T106 PolarHBondContact OE1-OG1 3.06Å
9S96.8Very high91.6Very high0 Ų044.9 Ų44.90%023%0.234CC..SBendtrans-1100.8-179.458.10000114.6V11 I12 T13 V42 G86 T87S9-V11 PolarHBondContact O-N 3.02Å; S9-I12 WeakPolarHBondContact O-CB 3.39Å; S9-I12 PolarHBondContact O-N 2.9Å; S9-T13 PolarHBondContact O-N 3.35Å; S9-T13 VanDerWaalsContact O-N 3.12Å; S9-T13 PolarHBondContact O-OG1 3.33Å; S9-V42 WeakPolarHBondContact CB-O 3.42Å; S9-V42 PolarHBondContact OG-O 2.65Å; S9-G86 VanDerWaalsContact OG-CA 3.26Å; S9-G86 WeakPolarHBondContact OG-CA 3.38Å; S9-T87 PolarHBondContact N-O 3.05Å; S9-T87 PolarHBondContact OG-N 3.48Å; S9-T87 PolarHBondContact OG-OG1 3.17Å
10T93.6Very high91.6Very high16 Ų1645.5 Ų45.510%0.09824%0.237CC..Hα-helixtrans-67.4-23169.656.60000114.1E8 I12 T13 H14 G15 K69 G86 T87 T88E8-T10 PolarHBondContact OE2-OG1 2.78Å; T10-I12 PolarHBondContact O-N 3.47Å; T10-T13 WeakPolarHBondContact CA-OG1 3.26Å; T10-T13 PolarHBondContact O-N 2.91Å; T10-H14 CarbonylContact O-C 3.57Å; T10-H14 PolarHBondContact O-N 3.16Å; T10-G15 PolarHBondContact O-N 3.31Å; T10-K69 HydrophobicContact CG2-CG 3.82Å; T10-G86 WeakPolarHBondContact CG2-O 3.3Å; T10-T87 WeakPolarHBondContact CG2-O 3.37Å; T10-T87 PolarHBondContact N-O 3.03Å; T10-T87 PolarHBondContact OG1-O 2.7Å; T10-T88 HydrophobicContact CG2-CG2 3.92Å
11V91Very high91.8Very high22 Ų2243.5 Ų43.513%0.13323%0.227CC..Iπ-helixtrans-58-37.3168.5175.60000110.6E8 S9 G15 M16 L270E8-V11 HydrophobicContact CG-CG2 4Å; E8-V11 VanDerWaalsContact OE1-CG2 3.32Å; E8-V11 WeakPolarHBondContact OE1-CG2 3.44Å; S9-V11 PolarHBondContact O-N 3.02Å; V11-G15 CarbonylContact O-C 3.51Å; V11-G15 WeakPolarHBondContact O-CA 3.49Å; V11-G15 PolarHBondContact O-N 2.58Å; V11-M16 HydrophobicContact CG1-CE 4.29Å; V11-M16 HydrophobicContact CG1-SD 4.44Å; V11-M16 PolarHBondContact O-N 2.88Å; V11-L270 HydrophobicContact CG1-CD1 3.64Å; V11-L270 HydrophobicContact CG2-CD2 4.43Å
12I94.2Very high93.1Very high4 Ų434.6 Ų34.62%0.02118%0.183CC..Iπ-helixtrans-77-48.4-178.2-48.2179.7000110.8S9 T10 N21 V22 A25 T41 L58 L61S9-I12 WeakPolarHBondContact O-CB 3.39Å; S9-I12 PolarHBondContact O-N 2.9Å; T10-I12 PolarHBondContact O-N 3.47Å; I12-N21 HydrophobicContact CG2-CB 4.32Å; I12-N21 VanDerWaalsContact O-CB 3.28Å; I12-N21 WeakPolarHBondContact O-CB 3.36Å; I12-N21 PolarHBondContact O-ND2 2.69Å; I12-V22 HydrophobicContact CG2-CG2 4.49Å; I12-A25 HydrophobicContact CD1-CB 3.55Å; I12-A25 HydrophobicContact CG1-CB 3.85Å; I12-T41 HydrophobicContact CD1-CG2 4.06Å; I12-L58 HydrophobicContact CD1-CD2 3.59Å; I12-L61 HydrophobicContact CD1-CD2 4.48Å
13T92.4Very high93.6Very high24 Ų2433.2 Ų33.215%0.14718%0.179CC..Iπ-helixtrans-83.4-33.2-171.5510000114.2S9 T10 L61 S67S9-T13 PolarHBondContact O-N 3.35Å; S9-T13 VanDerWaalsContact O-N 3.12Å; S9-T13 PolarHBondContact O-OG1 3.33Å; T10-T13 WeakPolarHBondContact CA-OG1 3.26Å; T10-T13 PolarHBondContact O-N 2.91Å; T13-L61 HydrophobicContact CG2-CD1 3.61Å; T13-L61 HydrophobicContact CG2-CD2 4.16Å; T13-L61 HydrophobicContact CG2-CG 3.58Å; T13-S67 WeakPolarHBondContact CB-OG 3.31Å; T13-S67 WeakPolarHBondContact CG2-OG 3.5Å
14H89.4Confident93.7Very high67 Ų6732.8 Ų32.831%0.3118%0.176SC..Iπ-helixtrans-133.6-7.1-171-65.973.7000113.8T10 S67 K69T10-H14 CarbonylContact O-C 3.57Å; T10-H14 PolarHBondContact O-N 3.16Å; H14-S67 PolarHBondContact CE1-O 2.81Å; H14-K69 PolarHBondContact CE1-N 3.18Å; H14-K69 VanDerWaalsContact CE1-N 3.33Å
15G85.1Confident93.7Very high22 Ų2231 Ų3123%0.22717%0.166CC..Iπ-helixtrans-94-30.9-174.700000114.4T10 V11T10-G15 PolarHBondContact O-N 3.31Å; V11-G15 CarbonylContact O-C 3.51Å; V11-G15 WeakPolarHBondContact O-CA 3.49Å; V11-G15 PolarHBondContact O-N 2.58Å
16M88.6Confident93.7Very high13 Ų1333.6 Ų33.66%0.06418%0.18CC..SBendtrans-140.8151-175.5-65.3-176.4-179.800110.9V11 N21 T24 L263 N266 I267 L270V11-M16 HydrophobicContact CG1-CE 4.29Å; V11-M16 HydrophobicContact CG1-SD 4.44Å; V11-M16 PolarHBondContact O-N 2.88Å; M16-N21 HydrophobicContact CB-CB 3.78Å; M16-T24 HydrophobicContact CE-CG2 3.97Å; M16-T24 HydrophobicContact SD-CG2 3.85Å; M16-L263 HydrophobicContact CB-CD1 4.26Å; M16-L263 HydrophobicContact CE-CD1 4.02Å; M16-L263 HydrophobicContact CG-CD1 3.65Å; M16-L263 HydrophobicContact SD-CD1 3.8Å; M16-N266 HydrophobicContact CE-CB 4Å; M16-N266 VanDerWaalsContact CE-ND2 3.32Å; M16-N266 WeakPolarHBondContact CE-ND2 2.86Å; M16-I267 HydrophobicContact CE-CG1 3.79Å; M16-I267 HydrophobicContact SD-CG1 4.13Å; M16-L270 HydrophobicContact CE-CD1 3.55Å
17P88.7Confident93.6Very high73 Ų7335.1 Ų35.147%0.47419%0.192SC..  trans-71.2155.817431.2-34.7000111.5D20 N21P17-D20 WeakPolarHBondContact O-CB 3.35Å; P17-D20 PolarHBondContact O-N 2.87Å; P17-D20 VanDerWaalsContact O-N 3.07Å; P17-N21 PolarHBondContact O-N 3.06Å
18Y90.9Very high93.6Very high132 Ų13235.3 Ų35.352%0.51819%0.194SC..THydrogen-bonded Turntrans-77.7138168-176.2-89.9000110.4N21 V22 G62 A63Y18-N21 VanDerWaalsContact CA-OD1 3.3Å; Y18-N21 WeakPolarHBondContact CA-OD1 3.22Å; Y18-N21 WeakPolarHBondContact CD2-OD1 3.46Å; Y18-V22 HydrophobicContact CD2-CG2 4.09Å; Y18-V22 HydrophobicContact CE2-CG2 3.99Å; Y18-G62 WeakPolarHBondContact CD2-O 3.5Å; Y18-A63 HydrophobicContact CD2-CB 4.41Å; Y18-A63 HydrophobicContact CE2-CB 4.11Å
19P93.1Very high93.6Very high58 Ų5834.7 Ų34.738%0.37719%0.191SC..THydrogen-bonded Turncis-91.9-1.55.836.8-36.3000115.7N21 V22 Q23P19-N21 PolarHBondContact O-N 2.97Å; P19-V22 PolarHBondContact O-N 3.38Å; P19-Q23 WeakPolarHBondContact O-CG 3.43Å; P19-Q23 PolarHBondContact O-N 3.33Å; P19-Q23 VanDerWaalsContact O-N 3.15Å
20D92Very high93.7Very high55 Ų5538.9 Ų38.929%0.29421%0.21SC..Hα-helixtrans-57.1-33.5-176.8-63.6-34.6000112.3P17 T24 L263P17-D20 WeakPolarHBondContact O-CB 3.35Å; P17-D20 PolarHBondContact O-N 2.87Å; P17-D20 VanDerWaalsContact O-N 3.07Å; D20-T24 VanDerWaalsContact O-CB 3.22Å; D20-T24 WeakPolarHBondContact O-CB 3.15Å; D20-T24 PolarHBondContact O-N 3.42Å; D20-T24 PolarHBondContact O-OG1 3.45Å; D20-L263 HydrophobicContact CB-CD2 4.49Å
21N94.3Very high93.9Very high5 Ų540 Ų403%0.02722%0.215CC..Hα-helixtrans-58.4-49.9177.363-7.3000113.5I12 M16 P17 Y18 P19 A25 G62I12-N21 HydrophobicContact CG2-CB 4.32Å; I12-N21 VanDerWaalsContact O-CB 3.28Å; I12-N21 WeakPolarHBondContact O-CB 3.36Å; I12-N21 PolarHBondContact O-ND2 2.69Å; M16-N21 HydrophobicContact CB-CB 3.78Å; P17-N21 PolarHBondContact O-N 3.06Å; Y18-N21 VanDerWaalsContact CA-OD1 3.3Å; Y18-N21 WeakPolarHBondContact CA-OD1 3.22Å; Y18-N21 WeakPolarHBondContact CD2-OD1 3.46Å; P19-N21 PolarHBondContact O-N 2.97Å; N21-A25 WeakPolarHBondContact O-CB 3.38Å; N21-A25 PolarHBondContact O-N 3.43Å; N21-G62 PolarHBondContact ND2-O 2.98Å
22V96.1Very high94.2Very high2 Ų239 Ų391%0.01221%0.208CC..Hα-helixtrans-73.6-40.9-179.5179.50000110.5I12 Y18 P19 T24 A25 L26I12-V22 HydrophobicContact CG2-CG2 4.49Å; Y18-V22 HydrophobicContact CD2-CG2 4.09Å; Y18-V22 HydrophobicContact CE2-CG2 3.99Å; P19-V22 PolarHBondContact O-N 3.38Å; V22-T24 VanDerWaalsContact C-N 3.27Å; V22-T24 PolarHBondContact O-N 2.98Å; V22-A25 PolarHBondContact O-N 3.46Å; V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 WeakPolarHBondContact O-CG 3.46Å; V22-L26 PolarHBondContact O-N 3.13Å
23Q96.4Very high94.4Very high119 Ų11944.1 Ų44.156%0.55623%0.227SC*.Hα-helixtrans-58.8-42.9175.8-69.1-180-100111.3P19 A27P19-Q23 WeakPolarHBondContact O-CG 3.43Å; P19-Q23 PolarHBondContact O-N 3.33Å; P19-Q23 VanDerWaalsContact O-N 3.15Å; Q23-A27 WeakPolarHBondContact O-CB 3.45Å; Q23-A27 PolarHBondContact O-N 2.93Å
24T96Very high94.5Very high5 Ų548.8 Ų48.83%0.03125%0.251CS..Hα-helixtrans-65.7-43.8175.9-580000111.6M16 D20 V22 L26 A27 V28 I267 L270M16-T24 HydrophobicContact CE-CG2 3.97Å; M16-T24 HydrophobicContact SD-CG2 3.85Å; D20-T24 VanDerWaalsContact O-CB 3.22Å; D20-T24 WeakPolarHBondContact O-CB 3.15Å; D20-T24 PolarHBondContact O-N 3.42Å; D20-T24 PolarHBondContact O-OG1 3.45Å; V22-T24 VanDerWaalsContact C-N 3.27Å; V22-T24 PolarHBondContact O-N 2.98Å; T24-L26 PolarHBondContact O-N 3.36Å; T24-A27 PolarHBondContact O-N 3.37Å; T24-V28 HydrophobicContact CG2-CG2 4.3Å; T24-V28 WeakPolarHBondContact O-CB 3.47Å; T24-V28 VanDerWaalsContact O-CG2 3.3Å; T24-V28 WeakPolarHBondContact O-CG2 3.36Å; T24-V28 PolarHBondContact O-N 3.23Å; T24-I267 HydrophobicContact CG2-CB 4.48Å; T24-I267 HydrophobicContact CG2-CG1 4.07Å; T24-I267 HydrophobicContact CG2-CG2 4.29Å; T24-I267 WeakPolarHBondContact OG1-CG1 3.36Å; T24-L270 HydrophobicContact CG2-CD1 3.97Å
25A97.1Very high94.6Very high10 Ų1046.5 Ų46.58%0.08325%0.245CC..Hα-helixtrans-58.5-47177.700000111.9I12 N21 V22 A27 V28 E29 L58I12-A25 HydrophobicContact CD1-CB 3.55Å; I12-A25 HydrophobicContact CG1-CB 3.85Å; N21-A25 WeakPolarHBondContact O-CB 3.38Å; N21-A25 PolarHBondContact O-N 3.43Å; V22-A25 PolarHBondContact O-N 3.46Å; A25-A27 PolarHBondContact O-N 2.96Å; A25-V28 PolarHBondContact O-N 3.43Å; A25-E29 WeakPolarHBondContact O-CG 3.44Å; A25-E29 PolarHBondContact O-N 3.31Å; A25-L58 HydrophobicContact CB-CD2 4.22Å
26L97.4Very high94.9Very high55 Ų5547.6 Ų47.629%0.28826%0.256SS..Hα-helixtrans-62.7-42.1177.3-69.8169.9000111.9V22 T24 V28 E29 E30 A55 L58V22-L26 HydrophobicContact CG1-CD1 4.02Å; V22-L26 HydrophobicContact CG1-CG 4.33Å; V22-L26 WeakPolarHBondContact O-CG 3.46Å; V22-L26 PolarHBondContact O-N 3.13Å; T24-L26 PolarHBondContact O-N 3.36Å; L26-V28 VanDerWaalsContact C-N 3.35Å; L26-E29 PolarHBondContact O-N 3.06Å; L26-E30 WeakPolarHBondContact O-CB 3.49Å; L26-E30 PolarHBondContact O-N 3.13Å; L26-A55 HydrophobicContact CD2-CB 4.36Å; L26-L58 HydrophobicContact CD2-CD1 3.75Å; L26-L58 HydrophobicContact CG-CD1 4.47Å
27A97.2Very high95.2Very high32 Ų3247.2 Ų47.226%0.26426%0.255SS..Hα-helixtrans-64-39.6176.300000112.1Q23 T24 A25 E30 E31 K271Q23-A27 WeakPolarHBondContact O-CB 3.45Å; Q23-A27 PolarHBondContact O-N 2.93Å; T24-A27 PolarHBondContact O-N 3.37Å; A25-A27 PolarHBondContact O-N 2.96Å; A27-E30 PolarHBondContact O-N 2.94Å; A27-E31 WeakPolarHBondContact O-CG 3.5Å; A27-E31 PolarHBondContact O-N 2.97Å; A27-E31 VanDerWaalsContact O-N 3.07Å; A27-K271 HydrophobicContact CB-CD 4.44Å
28V97.9Very high95.6Very high11 Ų1146.8 Ų46.87%0.06725%0.251CS..Hα-helixtrans-65-45.3175.5164.10000111.1L7 T24 A25 L26 E30 E31 V32 L270 A274L7-V28 HydrophobicContact CD1-CG1 3.96Å; L7-V28 HydrophobicContact CD2-CG1 3.82Å; T24-V28 HydrophobicContact CG2-CG2 4.3Å; T24-V28 WeakPolarHBondContact O-CB 3.47Å; T24-V28 VanDerWaalsContact O-CG2 3.3Å; T24-V28 WeakPolarHBondContact O-CG2 3.36Å; T24-V28 PolarHBondContact O-N 3.23Å; A25-V28 PolarHBondContact O-N 3.43Å; L26-V28 VanDerWaalsContact C-N 3.35Å; V28-E30 PolarHBondContact O-N 3.45Å; V28-E31 PolarHBondContact O-N 2.84Å; V28-V32 WeakPolarHBondContact O-CG2 3.24Å; V28-V32 PolarHBondContact O-N 3.17Å; V28-L270 HydrophobicContact CG2-CB 3.84Å; V28-A274 HydrophobicContact CG1-CB 3.91Å
29E98.1Very high96Very high4 Ų441.1 Ų41.12%0.01923%0.231CC..Hα-helixtrans-60.6-35.8175.1-72.5-161162.500112.1L7 A25 L26 V32 R33 P39 T41L7-E29 HydrophobicContact CD1-CG 3.87Å; A25-E29 WeakPolarHBondContact O-CG 3.44Å; A25-E29 PolarHBondContact O-N 3.31Å; L26-E29 PolarHBondContact O-N 3.06Å; E29-V32 PolarHBondContact O-N 3.34Å; E29-R33 WeakPolarHBondContact O-CG 3.46Å; E29-R33 PolarHBondContact O-N 3.05Å; E29-R33 IonicContact OE2-CZ 3.75Å; E29-R33 IonicContact OE2-NH2 3.72Å; E29-R33 PolarHBondContact OE2-NH2 2.95Å; E29-P39 HydrophobicContact CB-CB 3.91Å; E29-P39 HydrophobicContact CB-CG 3.82Å; E29-P39 HydrophobicContact CG-CB 3.75Å; E29-P39 HydrophobicContact CG-CG 4.05Å; E29-T41 PolarHBondContact OE1-OG1 2.92Å
30E97.8Very high96.2Very high87 Ų8738.6 Ų38.641%0.40721%0.214SC..Hα-helixtrans-68.3-41.8177.7-169.157.8-162.200112.7L26 A27 V28 V32 R33 L34L26-E30 WeakPolarHBondContact O-CB 3.49Å; L26-E30 PolarHBondContact O-N 3.13Å; A27-E30 PolarHBondContact O-N 2.94Å; V28-E30 PolarHBondContact O-N 3.45Å; E30-V32 PolarHBondContact O-N 3.47Å; E30-R33 PolarHBondContact O-N 3.36Å; E30-R33 VanDerWaalsContact O-N 3.1Å; E30-R33 IonicContact OE2-NH1 2.69Å; E30-R33 PolarHBondContact OE2-NH1 3.09Å; E30-R33 VanDerWaalsContact OE2-NH1 3.08Å; E30-L34 HydrophobicContact CG-CD1 4.39Å; E30-L34 WeakPolarHBondContact O-CG 3.44Å; E30-L34 PolarHBondContact O-N 3.5Å
31E98Very high96.5Very high41 Ų4136.1 Ų36.119%0.19220%0.201CC..Hα-helixtrans-59.1-37.7173.1-65.1-66.7161.800111.4A27 V28 L34 G35 K271 A274A27-E31 WeakPolarHBondContact O-CG 3.5Å; A27-E31 PolarHBondContact O-N 2.97Å; A27-E31 VanDerWaalsContact O-N 3.07Å; V28-E31 PolarHBondContact O-N 2.84Å; E31-L34 PolarHBondContact O-N 3.36Å; E31-G35 PolarHBondContact O-N 2.85Å; E31-G35 VanDerWaalsContact O-N 3.1Å; E31-K271 HydrophobicContact CG-CB 4.1Å; E31-K271 HydrophobicContact CG-CG 4.26Å; E31-K271 WeakPolarHBondContact OE1-CE 3.47Å; E31-K271 IonicContact OE1-NZ 3.5Å; E31-K271 PolarHBondContact OE1-NZ 3.45Å; E31-A274 HydrophobicContact CB-CB 3.96Å
32V98.3Very high96.7Very high0 Ų035.9 Ų35.90%020%0.2CC..Hα-helixtrans-64.1-42.9174.7176.30000111.6V5 L7 V28 E29 E30 G35 A37 P39 A274V5-V32 HydrophobicContact CB-CG1 3.92Å; V5-V32 HydrophobicContact CB-CG2 4.44Å; V5-V32 HydrophobicContact CG1-CG2 4.43Å; V5-V32 HydrophobicContact CG2-CG1 4.05Å; L7-V32 HydrophobicContact CD2-CG2 4.47Å; V28-V32 WeakPolarHBondContact O-CG2 3.24Å; V28-V32 PolarHBondContact O-N 3.17Å; E29-V32 PolarHBondContact O-N 3.34Å; E30-V32 PolarHBondContact O-N 3.47Å; V32-G35 PolarHBondContact O-N 2.62Å; V32-A37 HydrophobicContact CG1-CB 3.76Å; V32-A37 PolarHBondContact O-N 3.21Å; V32-A37 VanDerWaalsContact O-N 3.11Å; V32-P39 HydrophobicContact CB-CB 4.04Å; V32-P39 HydrophobicContact CG1-CB 3.96Å; V32-P39 HydrophobicContact CG1-CG 4.47Å; V32-P39 HydrophobicContact CG2-CB 4.47Å; V32-A274 HydrophobicContact CG2-CB 4.06Å
33R97.4Very high96.7Very high111 Ų11135.8 Ų35.842%0.41920%0.199SC..Hα-helixtrans-64.4-42.8177.3-68.9-179.2-162.799.310.3111.9E29 E30 G35 G36 A37 P39E29-R33 WeakPolarHBondContact O-CG 3.46Å; E29-R33 PolarHBondContact O-N 3.05Å; E29-R33 IonicContact OE2-CZ 3.75Å; E29-R33 IonicContact OE2-NH2 3.72Å; E29-R33 PolarHBondContact OE2-NH2 2.95Å; E30-R33 PolarHBondContact O-N 3.36Å; E30-R33 VanDerWaalsContact O-N 3.1Å; E30-R33 IonicContact OE2-NH1 2.69Å; E30-R33 PolarHBondContact OE2-NH1 3.09Å; E30-R33 VanDerWaalsContact OE2-NH1 3.08Å; R33-G35 VanDerWaalsContact C-N 3.26Å; R33-G35 PolarHBondContact O-N 2.87Å; R33-G36 PolarHBondContact O-N 3.28Å; R33-A37 WeakPolarHBondContact CA-O 3.31Å; R33-P39 HydrophobicContact CG-CG 4.08Å
34L95.5Very high96.4Very high123 Ų12330.1 Ų30.164%0.64417%0.173SC*.Hα-helixtrans-61.6-34.8177.1-72.3172.8000112E30 E31 G36E30-L34 HydrophobicContact CG-CD1 4.39Å; E30-L34 WeakPolarHBondContact O-CG 3.44Å; E30-L34 PolarHBondContact O-N 3.5Å; E31-L34 PolarHBondContact O-N 3.36Å; L34-G36 PolarHBondContact O-N 3Å
35G91.4Very high95.7Very high18 Ų1831.4 Ų31.419%0.18618%0.178CC..THydrogen-bonded Turntrans-75.37171.800000115.2E31 V32 R33E31-G35 PolarHBondContact O-N 2.85Å; E31-G35 VanDerWaalsContact O-N 3.1Å; V32-G35 PolarHBondContact O-N 2.62Å; R33-G35 VanDerWaalsContact C-N 3.26Å; R33-G35 PolarHBondContact O-N 2.87Å
36G90.6Very high94.8Very high45 Ų4533.2 Ų33.246%0.46420%0.198SC..THydrogen-bonded Turntrans82.76.2176.800000115.3R33 L34R33-G36 PolarHBondContact O-N 3.28Å; L34-G36 PolarHBondContact O-N 3Å
37A96Very high93.9Very high5 Ų531.7 Ų31.74%0.04120%0.195CC..PPolyproline II helixtrans-103.6163.3179.700000113P3 V5 V32 R33P3-A37 HydrophobicContact CB-CB 4.23Å; P3-A37 HydrophobicContact CG-CB 4.05Å; P3-A37 CarbonylContact O-C 3.51Å; P3-A37 WeakPolarHBondContact O-CA 3.48Å; V5-A37 HydrophobicContact CG2-CB 4.03Å; V32-A37 HydrophobicContact CG1-CB 3.76Å; V32-A37 PolarHBondContact O-N 3.21Å; V32-A37 VanDerWaalsContact O-N 3.11Å; R33-A37 WeakPolarHBondContact CA-O 3.31Å
38V97.2Very high93.4Very high65 Ų6536.7 Ų36.739%0.39421%0.211SC..EExtended strand (participates in β ladder)trans-97.5118.8175.2-177.90000108.5K2 P3 V4 V5K2-V38 HydrophobicContact CB-CG2 3.84Å; K2-V38 HydrophobicContact CD-CG2 4.1Å; P3-V38 PolarHBondContact O-N 3.19Å; V4-V38 WeakPolarHBondContact CA-O 3.44Å; V4-V38 WeakPolarHBondContact CG1-O 3.38Å; V4-V38 HydrophobicContact CG2-CB 4.39Å; V5-V38 PolarHBondContact N-O 2.73Å
39P98.2Very high93.1Very high13 Ų1339.4 Ų39.48%0.08423%0.225CC..EExtended strand (participates in β ladder)trans-69.9136174.227.2-32.3000110.8L7 E29 V32 R33L7-P39 HydrophobicContact CD1-CB 3.89Å; E29-P39 HydrophobicContact CB-CB 3.91Å; E29-P39 HydrophobicContact CB-CG 3.82Å; E29-P39 HydrophobicContact CG-CB 3.75Å; E29-P39 HydrophobicContact CG-CG 4.05Å; V32-P39 HydrophobicContact CB-CB 4.04Å; V32-P39 HydrophobicContact CG1-CB 3.96Å; V32-P39 HydrophobicContact CG1-CG 4.47Å; V32-P39 HydrophobicContact CG2-CB 4.47Å; R33-P39 HydrophobicContact CG-CG 4.08Å
40A98Very high92.6Very high4 Ų443.9 Ų43.93%0.03324%0.241CC..EExtended strand (participates in β ladder)trans-125.175.8176.200000110.1V4 V5 A6 L7 V42 V51 I101V4-A40 HydrophobicContact CG1-CB 3.56Å; V5-A40 PolarHBondContact O-N 2.77Å; A6-A40 WeakPolarHBondContact CA-O 3.43Å; L7-A40 PolarHBondContact N-O 2.69Å; A40-V42 WeakPolarHBondContact O-CG2 3.41Å; A40-V42 PolarHBondContact O-N 3.2Å; A40-V51 HydrophobicContact CB-CG1 3.89Å; A40-I101 HydrophobicContact CB-CD1 4Å
41T98.3Very high92.5Very high3 Ų342.5 Ų42.52%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-62126.9170.9-55.30000109.9I12 E29 G52 L53 L58I12-T41 HydrophobicContact CD1-CG2 4.06Å; E29-T41 PolarHBondContact OE1-OG1 2.92Å; T41-G52 PolarHBondContact O-N 3.34Å; T41-L53 HydrophobicContact CG2-CD1 3.96Å; T41-L53 HydrophobicContact CG2-CG 4.28Å; T41-L53 PolarHBondContact O-N 3.14Å; T41-L58 HydrophobicContact CG2-CD2 3.9Å
42V98Very high92.3Very high0 Ų042.2 Ų42.20%025%0.247CC..EExtended strand (participates in β ladder)trans-102.6131.6-174.6-176.70000110.1L7 S9 A40 I49 R50 V51 T87 T92 I95L7-V42 PolarHBondContact O-N 3.13Å; S9-V42 WeakPolarHBondContact CB-O 3.42Å; S9-V42 PolarHBondContact OG-O 2.65Å; A40-V42 WeakPolarHBondContact O-CG2 3.41Å; A40-V42 PolarHBondContact O-N 3.2Å; V42-I49 HydrophobicContact CG1-CG2 4.5Å; V42-R50 WeakPolarHBondContact CA-O 3.48Å; V42-V51 HydrophobicContact CG2-CG1 4.48Å; V42-T87 HydrophobicContact CG1-CG2 4.08Å; V42-T87 PolarHBondContact O-OG1 2.81Å; V42-T92 HydrophobicContact CB-CG2 4.03Å; V42-T92 HydrophobicContact CG2-CG2 3.82Å; V42-I95 HydrophobicContact CG1-CB 3.99Å; V42-I95 HydrophobicContact CG1-CD1 3.53Å; V42-I95 HydrophobicContact CG1-CG1 4.35Å; V42-I95 HydrophobicContact CG1-CG2 3.64Å; V42-I95 HydrophobicContact CG2-CG2 4.41Å
43A95.9Very high91.9Very high0 Ų042.8 Ų42.80%025%0.25CC..EExtended strand (participates in β ladder)trans-153170.5173.900000111.9F45 R50 L53 L61A43-F45 HydrophobicContact CB-CD2 4.23Å; A43-F45 HydrophobicContact CB-CE2 3.98Å; A43-R50 PolarHBondContact N-O 2.93Å; A43-R50 VanDerWaalsContact N-O 3.08Å; A43-R50 PolarHBondContact O-N 2.91Å; A43-L53 HydrophobicContact CB-CD1 3.85Å; A43-L53 HydrophobicContact CB-CD2 4.23Å; A43-L53 HydrophobicContact CB-CG 4.48Å; A43-L61 HydrophobicContact CB-CD2 3.79Å
44I90Very high91.5Very high0 Ų039.8 Ų39.80%025%0.246CC..EExtended strand (participates in β ladder)trans-106.7128.8173.1-49.6-59.1000109.2K48 I49 V70 L75 A78 L79 A83 V84 G85 T87 I95I44-K48 WeakPolarHBondContact CA-O 3.35Å; I44-I49 HydrophobicContact CD1-CB 4.32Å; I44-I49 HydrophobicContact CD1-CG1 3.79Å; I44-V70 HydrophobicContact CG1-CG1 4.38Å; I44-V70 HydrophobicContact CG1-CG2 4.37Å; I44-L75 HydrophobicContact CD1-CD2 4.01Å; I44-A78 HydrophobicContact CG2-CB 4.37Å; I44-L79 HydrophobicContact CD1-CD2 4.28Å; I44-L79 HydrophobicContact CG2-CD2 3.99Å; I44-A83 WeakPolarHBondContact CG2-O 3.38Å; I44-V84 WeakPolarHBondContact O-CA 3.38Å; I44-G85 PolarHBondContact N-O 3.06Å; I44-G85 PolarHBondContact O-N 3.32Å; I44-T87 HydrophobicContact CD1-CG2 4.46Å; I44-T87 HydrophobicContact CG1-CG2 4.33Å; I44-I95 HydrophobicContact CD1-CD1 4.49Å
45F82.2Confident91.2Very high32 Ų3236.6 Ų36.614%0.1424%0.237CC..EExtended strand (participates in β ladder)trans-138.3126.7174.5-80.3-82.6000110.4A43 G47 K48 R50 L53 E57 L61 V84A43-F45 HydrophobicContact CB-CD2 4.23Å; A43-F45 HydrophobicContact CB-CE2 3.98Å; F45-G47 PolarHBondContact O-N 3.43Å; F45-G47 VanDerWaalsContact O-N 3.15Å; F45-K48 PolarHBondContact N-O 3.48Å; F45-K48 PolarHBondContact O-N 2.99Å; F45-R50 HydrophobicContact CB-CG 4.29Å; F45-R50 HydrophobicContact CD2-CG 4.11Å; F45-L53 HydrophobicContact CD2-CD2 4.28Å; F45-L53 HydrophobicContact CE2-CD1 4.18Å; F45-L53 HydrophobicContact CE2-CD2 3.94Å; F45-E57 HydrophobicContact CE2-CB 4.34Å; F45-E57 HydrophobicContact CZ-CB 4.39Å; F45-L61 HydrophobicContact CE2-CD1 4.5Å; F45-L61 HydrophobicContact CZ-CB 3.92Å; F45-L61 HydrophobicContact CZ-CD1 4.16Å; F45-V84 HydrophobicContact CD1-CG1 4.22Å; F45-V84 HydrophobicContact CD1-CG2 4.25Å; F45-V84 HydrophobicContact CE1-CG1 3.9Å; F45-V84 HydrophobicContact CZ-CG1 4.47Å
46G78.1Confident91.1Very high49 Ų4943.5 Ų43.551%0.50526%0.264SS..THydrogen-bonded Turntrans52.841.9168.900000113.4K48G46-K48 VanDerWaalsContact C-N 3.3Å; G46-K48 PolarHBondContact O-N 3.08Å
47G78.8Confident91.1Very high22 Ų2243.3 Ų43.323%0.22725%0.252CS..THydrogen-bonded Turntrans77.312.8178.300000115F45 L79 N82F45-G47 PolarHBondContact O-N 3.43Å; F45-G47 VanDerWaalsContact O-N 3.15Å; G47-L79 VanDerWaalsContact C-CD2 3.44Å; G47-L79 WeakPolarHBondContact CA-O 3.42Å; G47-L79 VanDerWaalsContact O-CD2 3.23Å; G47-L79 WeakPolarHBondContact O-CD2 3.27Å; G47-N82 VanDerWaalsContact CA-OD1 3.25Å; G47-N82 WeakPolarHBondContact CA-OD1 3.44Å; G47-N82 PolarHBondContact N-OD1 2.82Å
48K86.1Confident91Very high138 Ų13843.1 Ų43.160%0.625%0.25SC*.EExtended strand (participates in β ladder)trans-124.7144.2179.7-62.1-179.2-178.1179.40111.4I44 F45 G46I44-K48 WeakPolarHBondContact CA-O 3.35Å; F45-K48 PolarHBondContact N-O 3.48Å; F45-K48 PolarHBondContact O-N 2.99Å; G46-K48 VanDerWaalsContact C-N 3.3Å; G46-K48 PolarHBondContact O-N 3.08Å
49I91.8Very high90.8Very high68 Ų6844.1 Ų44.135%0.34925%0.25SS..EExtended strand (participates in β ladder)trans-77.5130166.2-55.7179.2000107.9V42 I44 V51 L79 I95V42-I49 HydrophobicContact CG1-CG2 4.5Å; I44-I49 HydrophobicContact CD1-CB 4.32Å; I44-I49 HydrophobicContact CD1-CG1 3.79Å; I49-V51 HydrophobicContact CG2-CG2 4.11Å; I49-L79 HydrophobicContact CD1-CD1 4.23Å; I49-L79 HydrophobicContact CG1-CD1 4.15Å; I49-L79 HydrophobicContact CG1-CD2 3.81Å; I49-I95 HydrophobicContact CD1-CD1 4.23Å; I49-I95 HydrophobicContact CD1-CG1 4.08Å; I49-I95 HydrophobicContact CG1-CD1 4.49Å; I49-I95 HydrophobicContact CG2-CB 4.41Å; I49-I95 HydrophobicContact CG2-CD1 3.67Å; I49-I95 HydrophobicContact CG2-CG1 3.98Å; I49-I95 HydrophobicContact CG2-CG2 3.55Å
50R88Confident90.5Very high97 Ų9746 Ų4637%0.36627%0.267SS..EExtended strand (participates in β ladder)trans-113131172.1-59.8-57.8-166.7100.97.6109V42 A43 F45 L53 E57V42-R50 WeakPolarHBondContact CA-O 3.48Å; A43-R50 PolarHBondContact N-O 2.93Å; A43-R50 VanDerWaalsContact N-O 3.08Å; A43-R50 PolarHBondContact O-N 2.91Å; F45-R50 HydrophobicContact CB-CG 4.29Å; F45-R50 HydrophobicContact CD2-CG 4.11Å; R50-L53 HydrophobicContact CB-CD2 3.57Å; R50-L53 HydrophobicContact CG-CD2 4.34Å; R50-E57 IonicContact CZ-OE1 3.83Å; R50-E57 IonicContact NH1-OE1 4Å; R50-E57 PolarHBondContact NH1-OE1 3.25Å; R50-E57 IonicContact NH2-OE1 3.55Å
51V95.7Very high90.4Very high59 Ų5945.9 Ų45.936%0.35827%0.265SS..EExtended strand (participates in β ladder)trans-123.2103.1179.4-178.80000107.3A40 V42 I49 I95 A99 I101A40-V51 HydrophobicContact CB-CG1 3.89Å; V42-V51 HydrophobicContact CG2-CG1 4.48Å; I49-V51 HydrophobicContact CG2-CG2 4.11Å; V51-I95 HydrophobicContact CG2-CG2 3.46Å; V51-I95 VanDerWaalsContact CG2-CG2 3.46Å; V51-A99 HydrophobicContact CG1-CB 4.37Å; V51-I101 HydrophobicContact CG1-CD1 3.56Å
52G93Very high90.1Very high34 Ų3446.1 Ų46.135%0.35127%0.268SS..SBendtrans90.898.3-164.800000110.6T41T41-G52 PolarHBondContact O-N 3.34Å
53L90.4Very high89.9Confident13 Ų1348.8 Ų48.87%0.06829%0.29CS..  trans-88.3143.8174.4-61.7-173.1000110.2T41 A43 F45 R50 E57 L58 L61T41-L53 HydrophobicContact CG2-CD1 3.96Å; T41-L53 HydrophobicContact CG2-CG 4.28Å; T41-L53 PolarHBondContact O-N 3.14Å; A43-L53 HydrophobicContact CB-CD1 3.85Å; A43-L53 HydrophobicContact CB-CD2 4.23Å; A43-L53 HydrophobicContact CB-CG 4.48Å; F45-L53 HydrophobicContact CD2-CD2 4.28Å; F45-L53 HydrophobicContact CE2-CD1 4.18Å; F45-L53 HydrophobicContact CE2-CD2 3.94Å; R50-L53 HydrophobicContact CB-CD2 3.57Å; R50-L53 HydrophobicContact CG-CD2 4.34Å; L53-E57 HydrophobicContact CB-CB 4.05Å; L53-E57 HydrophobicContact CD2-CB 4.2Å; L53-L58 HydrophobicContact CB-CD2 4.21Å; L53-L58 HydrophobicContact CB-CG 4.01Å; L53-L58 HydrophobicContact CD1-CD2 3.98Å; L53-L58 HydrophobicContact CD1-CG 4.46Å; L53-L61 HydrophobicContact CD1-CD2 4.01Å
54S89.3Confident89.7Confident48 Ų4850.3 Ų50.334%0.33630%0.301SS..  trans-69.4161.3163.361.80000111.1Q56 E57 L58S54-Q56 PolarHBondContact O-N 3.47Å; S54-E57 WeakPolarHBondContact CB-OE2 3.35Å; S54-E57 PolarHBondContact N-OE2 2.89Å; S54-E57 PolarHBondContact O-N 2.98Å; S54-E57 VanDerWaalsContact O-N 3.08Å; S54-E57 WeakPolarHBondContact OG-CB 3.42Å; S54-E57 VanDerWaalsContact OG-CG 3.31Å; S54-E57 WeakPolarHBondContact OG-CG 3.42Å; S54-E57 PolarHBondContact OG-N 3.25Å; S54-E57 PolarHBondContact OG-OE2 3.43Å; S54-L58 PolarHBondContact O-N 3.3Å
55A87.7Confident89.6Confident55 Ų5559.6 Ų59.646%0.45534%0.344SS..Hα-helixtrans-54.7-37.7173.100000112.2L26 L58 H59L26-A55 HydrophobicContact CD2-CB 4.36Å; A55-L58 WeakPolarHBondContact O-CB 3.43Å; A55-L58 PolarHBondContact O-N 2.91Å; A55-H59 PolarHBondContact O-CD2 2.88Å; A55-H59 PolarHBondContact O-N 3.31Å
56Q89.2Confident89.9Confident163 Ų16366.6 Ų66.676%0.76238%0.377SS*.Hα-helixtrans-65.4-43.4177.1-67.1163.21.100111.8S54 H59 A60S54-Q56 PolarHBondContact O-N 3.47Å; Q56-H59 PolarHBondContact O-N 3.02Å; Q56-A60 WeakPolarHBondContact O-CB 3.29Å; Q56-A60 PolarHBondContact O-N 2.75Å
57E91.6Very high90.6Very high42 Ų4264.8 Ų64.820%0.19636%0.357CS..Hα-helixtrans-67.4-34.8175.9-73.3163.4140.300111.9F45 R50 L53 S54 A60 L61F45-E57 HydrophobicContact CE2-CB 4.34Å; F45-E57 HydrophobicContact CZ-CB 4.39Å; R50-E57 IonicContact CZ-OE1 3.83Å; R50-E57 IonicContact NH1-OE1 4Å; R50-E57 PolarHBondContact NH1-OE1 3.25Å; R50-E57 IonicContact NH2-OE1 3.55Å; L53-E57 HydrophobicContact CB-CB 4.05Å; L53-E57 HydrophobicContact CD2-CB 4.2Å; S54-E57 WeakPolarHBondContact CB-OE2 3.35Å; S54-E57 PolarHBondContact N-OE2 2.89Å; S54-E57 PolarHBondContact O-N 2.98Å; S54-E57 VanDerWaalsContact O-N 3.08Å; S54-E57 WeakPolarHBondContact OG-CB 3.42Å; S54-E57 VanDerWaalsContact OG-CG 3.31Å; S54-E57 WeakPolarHBondContact OG-CG 3.42Å; S54-E57 PolarHBondContact OG-N 3.25Å; S54-E57 PolarHBondContact OG-OE2 3.43Å; E57-A60 PolarHBondContact O-N 2.79Å; E57-L61 WeakPolarHBondContact O-CB 3.45Å; E57-L61 PolarHBondContact O-N 3.04Å
58L93.9Very high91.2Very high0 Ų066.8 Ų66.80%037%0.365CS..Hα-helixtrans-61.9-47.6172.1-75.6170.4000111.9I12 A25 L26 T41 L53 S54 A55 L61 G62I12-L58 HydrophobicContact CD1-CD2 3.59Å; A25-L58 HydrophobicContact CB-CD2 4.22Å; L26-L58 HydrophobicContact CD2-CD1 3.75Å; L26-L58 HydrophobicContact CG-CD1 4.47Å; T41-L58 HydrophobicContact CG2-CD2 3.9Å; L53-L58 HydrophobicContact CB-CD2 4.21Å; L53-L58 HydrophobicContact CB-CG 4.01Å; L53-L58 HydrophobicContact CD1-CD2 3.98Å; L53-L58 HydrophobicContact CD1-CG 4.46Å; S54-L58 PolarHBondContact O-N 3.3Å; A55-L58 WeakPolarHBondContact O-CB 3.43Å; A55-L58 PolarHBondContact O-N 2.91Å; L58-L61 PolarHBondContact O-N 3.31Å; L58-G62 PolarHBondContact O-N 2.86Å
59H93.3Very high91.6Very high87 Ų8763.3 Ų63.340%0.40335%0.35SS..Hα-helixtrans-60.5-45.3174.9-84.7-78.5000111.6A55 Q56 L61 G62 A63A55-H59 PolarHBondContact O-CD2 2.88Å; A55-H59 PolarHBondContact O-N 3.31Å; Q56-H59 PolarHBondContact O-N 3.02Å; H59-L61 VanDerWaalsContact C-N 3.31Å; H59-L61 PolarHBondContact O-N 3.12Å; H59-G62 PolarHBondContact O-N 2.92Å; H59-A63 WeakPolarHBondContact O-CB 3.43Å; H59-A63 PolarHBondContact O-N 2.81Å
60A91.8Very high91.7Very high53 Ų5360.1 Ų60.144%0.43833%0.333SS..Hα-helixtrans-61-40177.500000112.1Q56 E57 C64Q56-A60 WeakPolarHBondContact O-CB 3.29Å; Q56-A60 PolarHBondContact O-N 2.75Å; E57-A60 PolarHBondContact O-N 2.79Å; A60-C64 WeakPolarHBondContact O-CB 3.21Å; A60-C64 PolarHBondContact O-N 3.25Å
61L94.6Very high92Very high0 Ų056 Ų560%032%0.32CS..Hα-helixtrans-67.4-47.5177.2-170.962000111.9I12 T13 A43 F45 L53 E57 L58 H59 A63 C64 V84I12-L61 HydrophobicContact CD1-CD2 4.48Å; T13-L61 HydrophobicContact CG2-CD1 3.61Å; T13-L61 HydrophobicContact CG2-CD2 4.16Å; T13-L61 HydrophobicContact CG2-CG 3.58Å; A43-L61 HydrophobicContact CB-CD2 3.79Å; F45-L61 HydrophobicContact CE2-CD1 4.5Å; F45-L61 HydrophobicContact CZ-CB 3.92Å; F45-L61 HydrophobicContact CZ-CD1 4.16Å; L53-L61 HydrophobicContact CD1-CD2 4.01Å; E57-L61 WeakPolarHBondContact O-CB 3.45Å; E57-L61 PolarHBondContact O-N 3.04Å; L58-L61 PolarHBondContact O-N 3.31Å; H59-L61 VanDerWaalsContact C-N 3.31Å; H59-L61 PolarHBondContact O-N 3.12Å; L61-A63 PolarHBondContact O-N 2.98Å; L61-C64 PolarHBondContact O-N 2.91Å; L61-V84 HydrophobicContact CD1-CG1 3.73Å
62G93.3Very high92Very high8 Ų853.9 Ų53.98%0.08231%0.308CS..Hα-helixtrans-73.2-23.8-175.600000114.8Y18 N21 L58 H59Y18-G62 WeakPolarHBondContact CD2-O 3.5Å; N21-G62 PolarHBondContact ND2-O 2.98Å; L58-G62 PolarHBondContact O-N 2.86Å; H59-G62 PolarHBondContact O-N 2.92Å
63A93.1Very high92.1Very high56 Ų5661.3 Ų61.346%0.46333%0.325SS..THydrogen-bonded Turntrans-86.4-9.1172.900000113.4Y18 H59 L61 E65Y18-A63 HydrophobicContact CD2-CB 4.41Å; Y18-A63 HydrophobicContact CE2-CB 4.11Å; H59-A63 WeakPolarHBondContact O-CB 3.43Å; H59-A63 PolarHBondContact O-N 2.81Å; L61-A63 PolarHBondContact O-N 2.98Å; A63-E65 PolarHBondContact O-N 2.93Å
64C91.8Very high92.3Very high33 Ų3363.4 Ų63.422%0.22334%0.336CS..  trans-82.397.8-176-173.10000111.9A60 L61 Q66 S67 V84A60-C64 WeakPolarHBondContact O-CB 3.21Å; A60-C64 PolarHBondContact O-N 3.25Å; L61-C64 PolarHBondContact O-N 2.91Å; C64-Q66 PolarHBondContact O-N 2.94Å; C64-S67 WeakPolarHBondContact O-CB 3.36Å; C64-S67 PolarHBondContact O-N 3.43Å; C64-S67 VanDerWaalsContact O-N 3.17Å; C64-S67 PolarHBondContact O-OG 2.94Å; C64-V84 HydrophobicContact CB-CG1 4.34Å
65E87.8Confident92.6Very high195 Ų19561.7 Ų61.791%0.91132%0.323SS*.THydrogen-bonded Turntrans-62.7-25.5175.3-63.7-170.8165.300113.5A63 S67A63-E65 PolarHBondContact O-N 2.93Å; E65-S67 VanDerWaalsContact C-N 3.3Å
66Q89.2Confident92.7Very high178 Ų17862 Ų6283%0.83233%0.326SS*.THydrogen-bonded Turntrans-87.93.8180-64.3173.7-19.500113.1C64C64-Q66 PolarHBondContact O-N 2.94Å
67S91.8Very high92.9Very high11 Ų1157 Ų578%0.07731%0.313CS..PPolyproline II helixtrans-63.8139.9-178.961.40000111.3T13 H14 C64 E65 V84T13-S67 WeakPolarHBondContact CB-OG 3.31Å; T13-S67 WeakPolarHBondContact CG2-OG 3.5Å; H14-S67 PolarHBondContact CE1-O 2.81Å; C64-S67 WeakPolarHBondContact O-CB 3.36Å; C64-S67 PolarHBondContact O-N 3.43Å; C64-S67 VanDerWaalsContact O-N 3.17Å; C64-S67 PolarHBondContact O-OG 2.94Å; E65-S67 VanDerWaalsContact C-N 3.3Å; S67-V84 CarbonylContact C-O 3.44Å; S67-V84 VanDerWaalsContact CA-O 3.26Å; S67-V84 WeakPolarHBondContact CA-O 3.49Å
68V92.4Very high93Very high65 Ų6555.3 Ų55.339%0.39431%0.306SS..EExtended strand (participates in β ladder)trans-100.4143.5-179.6-63.50000111.2V70 A83 V84 G85 G86V68-V70 HydrophobicContact CG2-CG2 3.87Å; V68-V70 PolarHBondContact O-N 3.34Å; V68-A83 HydrophobicContact CG2-CB 3.76Å; V68-V84 PolarHBondContact N-O 2.97Å; V68-G85 CarbonylContact O-C 3.55Å; V68-G85 VanDerWaalsContact O-CA 3.27Å; V68-G85 WeakPolarHBondContact O-CA 3.46Å; V68-G86 PolarHBondContact O-N 2.8Å
69K93Very high92.7Very high65 Ų6557.5 Ų57.528%0.28332%0.317SS..EExtended strand (participates in β ladder)trans-75.3118.7169.1-178173.6-178.7-177.30109.5T10 H14 T88T10-K69 HydrophobicContact CG2-CG 3.82Å; H14-K69 PolarHBondContact CE1-N 3.18Å; H14-K69 VanDerWaalsContact CE1-N 3.33Å; K69-T88 HydrophobicContact CD-CG2 4.26Å; K69-T88 VanDerWaalsContact CE-CG2 3.42Å; K69-T88 HydrophobicContact CG-CG2 3.81Å
70V94.4Very high92.6Very high1 Ų160 Ų601%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-110.4107.7-175.5-175.20000110I44 V68 D74 L75 A78 G86 T87 T88 A91I44-V70 HydrophobicContact CG1-CG1 4.38Å; I44-V70 HydrophobicContact CG1-CG2 4.37Å; V68-V70 HydrophobicContact CG2-CG2 3.87Å; V68-V70 PolarHBondContact O-N 3.34Å; V70-D74 HydrophobicContact CG1-CB 4.06Å; V70-L75 HydrophobicContact CG1-CD2 3.86Å; V70-L75 HydrophobicContact CG1-CG 4.26Å; V70-A78 HydrophobicContact CG1-CB 4.09Å; V70-A78 HydrophobicContact CG2-CB 3.92Å; V70-G86 PolarHBondContact N-O 3.41Å; V70-T87 WeakPolarHBondContact O-CA 3.45Å; V70-T88 PolarHBondContact O-N 3.47Å; V70-T88 PolarHBondContact O-OG1 3.32Å; V70-A91 WeakPolarHBondContact O-CB 3.48Å
71A95Very high92.6Very high10 Ų1062.1 Ų62.18%0.08334%0.34CS..  trans-87172.6166.200000111.4R73 D74 L75 T88A71-R73 PolarHBondContact O-N 2.72Å; A71-R73 VanDerWaalsContact O-N 3.15Å; A71-D74 VanDerWaalsContact CB-OD2 3.32Å; A71-D74 WeakPolarHBondContact CB-OD2 3.08Å; A71-D74 PolarHBondContact N-OD2 2.71Å; A71-D74 WeakPolarHBondContact O-CB 3.31Å; A71-D74 PolarHBondContact O-N 3.01Å; A71-L75 PolarHBondContact O-N 3.19Å; A71-T88 WeakPolarHBondContact CA-OG1 3.33Å; A71-T88 HydrophobicContact CB-CG2 4.26Å
72S95.6Very high92.2Very high14 Ų1467 Ų6710%0.09837%0.366CS..THydrogen-bonded Turntrans-58.9-30.7-174.560.50000114.2E128S72-E128 WeakPolarHBondContact CB-OE1 3.44Å; S72-E128 PolarHBondContact OG-OE1 3.49Å
73R94.6Very high92Very high190 Ų19067.5 Ų67.572%0.71737%0.369SS*.THydrogen-bonded Turntrans-72.6-27.6173.170-177.1174.3-130.7-2.2113.7A71 L75A71-R73 PolarHBondContact O-N 2.72Å; A71-R73 VanDerWaalsContact O-N 3.15Å; R73-L75 VanDerWaalsContact C-N 3.35Å
74D95.3Very high91.9Very high57 Ų5767 Ų6731%0.30536%0.36SS..THydrogen-bonded Turntrans-85.9-13.1-174.5-52-48.5000111.6V70 A71 A76 A77 A78V70-D74 HydrophobicContact CG1-CB 4.06Å; A71-D74 VanDerWaalsContact CB-OD2 3.32Å; A71-D74 WeakPolarHBondContact CB-OD2 3.08Å; A71-D74 PolarHBondContact N-OD2 2.71Å; A71-D74 WeakPolarHBondContact O-CB 3.31Å; A71-D74 PolarHBondContact O-N 3.01Å; D74-A76 PolarHBondContact O-N 3.28Å; D74-A77 PolarHBondContact O-N 3.44Å; D74-A77 VanDerWaalsContact O-N 3.13Å; D74-A78 WeakPolarHBondContact O-CB 3.4Å; D74-A78 PolarHBondContact O-N 2.83Å
75L94.7Very high92Very high12 Ų1265.4 Ų65.46%0.06335%0.35CS..Hα-helixtrans-50.6-52.3-175.5-77171.4000113I44 V70 A71 R73 A77 A78 L79 A91 K94 I95I44-L75 HydrophobicContact CD1-CD2 4.01Å; V70-L75 HydrophobicContact CG1-CD2 3.86Å; V70-L75 HydrophobicContact CG1-CG 4.26Å; A71-L75 PolarHBondContact O-N 3.19Å; R73-L75 VanDerWaalsContact C-N 3.35Å; L75-A77 VanDerWaalsContact C-N 3.34Å; L75-A77 PolarHBondContact O-N 2.97Å; L75-A78 PolarHBondContact O-N 2.98Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3.23Å; L75-A91 HydrophobicContact CD1-CB 4.48Å; L75-A91 HydrophobicContact CD2-CB 4.17Å; L75-A91 HydrophobicContact CG-CB 4.32Å; L75-K94 HydrophobicContact CD1-CD 3.91Å; L75-K94 HydrophobicContact CD1-CG 4.4Å; L75-I95 HydrophobicContact CD1-CG1 4.46Å; L75-I95 HydrophobicContact CD2-CD1 3.7Å; L75-I95 HydrophobicContact CD2-CG1 4.4Å
76A91.3Very high92.3Very high63 Ų6356.1 Ų56.152%0.52131%0.306SS..Hα-helixtrans-62.8-42.2-178.500000111.7D74 L79 I80D74-A76 PolarHBondContact O-N 3.28Å; A76-L79 PolarHBondContact O-N 2.99Å; A76-I80 WeakPolarHBondContact O-CG1 3.27Å; A76-I80 PolarHBondContact O-N 3.05Å
77A93.2Very high92.7Very high57 Ų5747.7 Ų47.747%0.47127%0.267SS..Hα-helixtrans-64-46.6177.700000111.4D74 L75 L79 I80 T81D74-A77 PolarHBondContact O-N 3.44Å; D74-A77 VanDerWaalsContact O-N 3.13Å; L75-A77 VanDerWaalsContact C-N 3.34Å; L75-A77 PolarHBondContact O-N 2.97Å; A77-L79 VanDerWaalsContact C-N 3.27Å; A77-L79 PolarHBondContact O-N 3.23Å; A77-I80 PolarHBondContact O-N 3.39Å; A77-T81 WeakPolarHBondContact O-CB 3.44Å; A77-T81 WeakPolarHBondContact O-CG2 3.44Å; A77-T81 PolarHBondContact O-N 2.98Å; A77-T81 PolarHBondContact O-OG1 3.29Å
78A91.9Very high92.9Very high7 Ų747.7 Ų47.76%0.05827%0.266CS..Hα-helixtrans-61.4-35177.900000112.6I44 V70 D74 L75 N82 A83I44-A78 HydrophobicContact CG2-CB 4.37Å; V70-A78 HydrophobicContact CG1-CB 4.09Å; V70-A78 HydrophobicContact CG2-CB 3.92Å; D74-A78 WeakPolarHBondContact O-CB 3.4Å; D74-A78 PolarHBondContact O-N 2.83Å; L75-A78 PolarHBondContact O-N 2.98Å; A78-N82 PolarHBondContact O-N 3.33Å; A78-A83 HydrophobicContact CB-CB 4.33Å; A78-A83 PolarHBondContact O-N 2.94Å
79L89.5Confident93.2Very high46 Ų4644.7 Ų44.724%0.24125%0.248CC..Hα-helixtrans-71.1-45.3176.1-67.4167.9000111.9I44 G47 I49 L75 A76 A77 T81 N82I44-L79 HydrophobicContact CD1-CD2 4.28Å; I44-L79 HydrophobicContact CG2-CD2 3.99Å; G47-L79 VanDerWaalsContact C-CD2 3.44Å; G47-L79 WeakPolarHBondContact CA-O 3.42Å; G47-L79 VanDerWaalsContact O-CD2 3.23Å; G47-L79 WeakPolarHBondContact O-CD2 3.27Å; I49-L79 HydrophobicContact CD1-CD1 4.23Å; I49-L79 HydrophobicContact CG1-CD1 4.15Å; I49-L79 HydrophobicContact CG1-CD2 3.81Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3.23Å; A76-L79 PolarHBondContact O-N 2.99Å; A77-L79 VanDerWaalsContact C-N 3.27Å; A77-L79 PolarHBondContact O-N 3.23Å; L79-T81 VanDerWaalsContact C-N 3.34Å; L79-T81 PolarHBondContact O-N 3.21Å; L79-N82 PolarHBondContact O-N 2.89Å
80I91.1Very high93.4Very high140 Ų14041.7 Ų41.772%0.71824%0.236SC*.Hα-helixtrans-65.4-38.9179.2-69.6167.4000111.5A76 A77 N82A76-I80 WeakPolarHBondContact O-CG1 3.27Å; A76-I80 PolarHBondContact O-N 3.05Å; A77-I80 PolarHBondContact O-N 3.39Å; I80-N82 PolarHBondContact O-N 3.2Å
81T90Very high93.5Very high97 Ų9741.7 Ų41.760%0.59524%0.235SC*.THydrogen-bonded Turntrans-83.72.3-178.560.50000113.7A77 L79 A83A77-T81 WeakPolarHBondContact O-CB 3.44Å; A77-T81 WeakPolarHBondContact O-CG2 3.44Å; A77-T81 PolarHBondContact O-N 2.98Å; A77-T81 PolarHBondContact O-OG1 3.29Å; L79-T81 VanDerWaalsContact C-N 3.34Å; L79-T81 PolarHBondContact O-N 3.21Å; T81-A83 PolarHBondContact O-N 2.84Å
82N88.1Confident93.7Very high103 Ų10341.2 Ų41.255%0.55123%0.231SC*.THydrogen-bonded Turntrans54.531.3-175.8-61.3-50.1000114G47 A78 L79 I80G47-N82 VanDerWaalsContact CA-OD1 3.25Å; G47-N82 WeakPolarHBondContact CA-OD1 3.44Å; G47-N82 PolarHBondContact N-OD1 2.82Å; A78-N82 PolarHBondContact O-N 3.33Å; L79-N82 PolarHBondContact O-N 2.89Å; I80-N82 PolarHBondContact O-N 3.2Å
83A87.5Confident93.9Very high18 Ų1840.5 Ų40.515%0.14923%0.227CC..  trans-65.3149.9-175.600000112.3I44 V68 A78 T81I44-A83 WeakPolarHBondContact CG2-O 3.38Å; V68-A83 HydrophobicContact CG2-CB 3.76Å; A78-A83 HydrophobicContact CB-CB 4.33Å; A78-A83 PolarHBondContact O-N 2.94Å; T81-A83 PolarHBondContact O-N 2.84Å
84V92.3Very high94Very high45 Ų4535.1 Ų35.127%0.27321%0.208SC..  trans-86.1114.4161.8178.90000106.9I44 F45 L61 C64 S67 V68I44-V84 WeakPolarHBondContact O-CA 3.38Å; F45-V84 HydrophobicContact CD1-CG1 4.22Å; F45-V84 HydrophobicContact CD1-CG2 4.25Å; F45-V84 HydrophobicContact CE1-CG1 3.9Å; F45-V84 HydrophobicContact CZ-CG1 4.47Å; L61-V84 HydrophobicContact CD1-CG1 3.73Å; C64-V84 HydrophobicContact CB-CG1 4.34Å; S67-V84 CarbonylContact C-O 3.44Å; S67-V84 VanDerWaalsContact CA-O 3.26Å; S67-V84 WeakPolarHBondContact CA-O 3.49Å; V68-V84 PolarHBondContact N-O 2.97Å
85G92.9Very high94.1Very high0 Ų032.6 Ų32.60%020%0.195CC..EExtended strand (participates in β ladder)trans-133.8126.9-165.300000113.7I44 V68I44-G85 PolarHBondContact N-O 3.06Å; I44-G85 PolarHBondContact O-N 3.32Å; V68-G85 CarbonylContact O-C 3.55Å; V68-G85 VanDerWaalsContact O-CA 3.27Å; V68-G85 WeakPolarHBondContact O-CA 3.46Å
86G95.5Very high94.3Very high0 Ų032 Ų320%019%0.192CC..EExtended strand (participates in β ladder)trans-81.9128166.900000110.4S9 T10 V68 V70S9-G86 VanDerWaalsContact OG-CA 3.26Å; S9-G86 WeakPolarHBondContact OG-CA 3.38Å; T10-G86 WeakPolarHBondContact CG2-O 3.3Å; V68-G86 PolarHBondContact O-N 2.8Å; V70-G86 PolarHBondContact N-O 3.41Å
87T97.3Very high94.5Very high0 Ų033.1 Ų33.10%019%0.186CC..EExtended strand (participates in β ladder)trans-85.7133.5-179.456.40000111.9S9 T10 V42 I44 V70 A91 T92 I95S9-T87 PolarHBondContact N-O 3.05Å; S9-T87 PolarHBondContact OG-N 3.48Å; S9-T87 PolarHBondContact OG-OG1 3.17Å; T10-T87 WeakPolarHBondContact CG2-O 3.37Å; T10-T87 PolarHBondContact N-O 3.03Å; T10-T87 PolarHBondContact OG1-O 2.7Å; V42-T87 HydrophobicContact CG1-CG2 4.08Å; V42-T87 PolarHBondContact O-OG1 2.81Å; I44-T87 HydrophobicContact CD1-CG2 4.46Å; I44-T87 HydrophobicContact CG1-CG2 4.33Å; V70-T87 WeakPolarHBondContact O-CA 3.45Å; T87-A91 HydrophobicContact CG2-CB 4.1Å; T87-T92 WeakPolarHBondContact CB-OG1 3.47Å; T87-T92 PolarHBondContact OG1-OG1 2.92Å; T87-I95 HydrophobicContact CG2-CD1 4.08Å
88T95.9Very high94.5Very high11 Ų1136.6 Ų36.67%0.06720%0.196CC..PPolyproline II helixtrans-71169.2169.462.80000110.8T10 K69 V70 A71 S90 A91 T92T10-T88 HydrophobicContact CG2-CG2 3.92Å; K69-T88 HydrophobicContact CD-CG2 4.26Å; K69-T88 VanDerWaalsContact CE-CG2 3.42Å; K69-T88 HydrophobicContact CG-CG2 3.81Å; V70-T88 PolarHBondContact O-N 3.47Å; V70-T88 PolarHBondContact O-OG1 3.32Å; A71-T88 WeakPolarHBondContact CA-OG1 3.33Å; A71-T88 HydrophobicContact CB-CG2 4.26Å; T88-S90 VanDerWaalsContact C-N 3.28Å; T88-S90 PolarHBondContact O-N 2.84Å; T88-S90 PolarHBondContact OG1-N 2.86Å; T88-S90 PolarHBondContact OG1-OG 2.9Å; T88-A91 PolarHBondContact O-N 3.1Å; T88-A91 PolarHBondContact OG1-N 3.06Å; T88-T92 VanDerWaalsContact O-CB 3.29Å; T88-T92 WeakPolarHBondContact O-CB 3.33Å; T88-T92 PolarHBondContact O-N 2.81Å; T88-T92 PolarHBondContact O-OG1 2.82Å
89V97.3Very high94.5Very high2 Ų238.8 Ų38.81%0.01221%0.214CC..Hα-helixtrans-47-49.8168.8-175.20000111.8E8 A91 T92 M93 L104 T106 I109 V136E8-V89 WeakPolarHBondContact OE2-CG2 3.08Å; E8-V89 PolarHBondContact OE2-N 3.18Å; V89-A91 PolarHBondContact O-N 2.8Å; V89-T92 PolarHBondContact O-N 2.94Å; V89-M93 HydrophobicContact CG1-CE 3.92Å; V89-M93 HydrophobicContact CG1-CG 4.45Å; V89-M93 HydrophobicContact CG1-SD 4.48Å; V89-M93 WeakPolarHBondContact O-CG 3.45Å; V89-M93 PolarHBondContact O-N 2.85Å; V89-L104 HydrophobicContact CG1-CD2 4.14Å; V89-T106 HydrophobicContact CG1-CG2 4.36Å; V89-T106 HydrophobicContact CG2-CG2 3.89Å; V89-I109 HydrophobicContact CG1-CG2 4.22Å; V89-V136 HydrophobicContact CG1-CG1 4.24Å
90S97.5Very high94.6Very high3 Ų339.4 Ų39.42%0.02123%0.231CC..Hα-helixtrans-55.5-49.5175.127.40000115.2T88 T92 K94 D125T88-S90 VanDerWaalsContact C-N 3.28Å; T88-S90 PolarHBondContact O-N 2.84Å; T88-S90 PolarHBondContact OG1-N 2.86Å; T88-S90 PolarHBondContact OG1-OG 2.9Å; S90-T92 VanDerWaalsContact C-N 3.35Å; S90-K94 PolarHBondContact O-N 2.92Å; S90-D125 WeakPolarHBondContact CB-OD1 3.34Å; S90-D125 PolarHBondContact N-OD1 2.9Å; S90-D125 PolarHBondContact OG-OD1 3.46Å
91A97.9Very high94.9Very high0 Ų033.3 Ų33.30%020%0.2CC..Hα-helixtrans-65.8-40.3176.700000112V70 L75 T87 T88 V89 K94 I95V70-A91 WeakPolarHBondContact O-CB 3.48Å; L75-A91 HydrophobicContact CD1-CB 4.48Å; L75-A91 HydrophobicContact CD2-CB 4.17Å; L75-A91 HydrophobicContact CG-CB 4.32Å; T87-A91 HydrophobicContact CG2-CB 4.1Å; T88-A91 PolarHBondContact O-N 3.1Å; T88-A91 PolarHBondContact OG1-N 3.06Å; V89-A91 PolarHBondContact O-N 2.8Å; A91-K94 PolarHBondContact O-N 3.37Å; A91-I95 WeakPolarHBondContact O-CG1 3.49Å; A91-I95 PolarHBondContact O-N 2.89Å
92T98.5Very high95.1Very high0 Ų030.1 Ų30.10%018%0.181CC..Hα-helixtrans-66.7-40.7-178.2-51.70000110.9A6 E8 V42 T87 T88 V89 S90 I95 A96 L104A6-T92 HydrophobicContact CB-CG2 4.31Å; E8-T92 HydrophobicContact CB-CG2 4.3Å; E8-T92 WeakPolarHBondContact CB-OG1 3.4Å; V42-T92 HydrophobicContact CB-CG2 4.03Å; V42-T92 HydrophobicContact CG2-CG2 3.82Å; T87-T92 WeakPolarHBondContact CB-OG1 3.47Å; T87-T92 PolarHBondContact OG1-OG1 2.92Å; T88-T92 VanDerWaalsContact O-CB 3.29Å; T88-T92 WeakPolarHBondContact O-CB 3.33Å; T88-T92 PolarHBondContact O-N 2.81Å; T88-T92 PolarHBondContact O-OG1 2.82Å; V89-T92 PolarHBondContact O-N 2.94Å; S90-T92 VanDerWaalsContact C-N 3.35Å; T92-I95 PolarHBondContact O-N 2.88Å; T92-A96 WeakPolarHBondContact O-CB 3.34Å; T92-A96 PolarHBondContact O-N 2.84Å; T92-L104 HydrophobicContact CG2-CD1 3.37Å; T92-L104 HydrophobicContact CG2-CG 4.19Å
93M98.5Very high95.6Very high0 Ų025.2 Ų25.20%016%0.155CC..Hα-helixtrans-58.1-50.6172.1-75.9-173.9-73.600111.2V89 I95 A96 H97 L104 D125 E128 L129 L132 I134 V136V89-M93 HydrophobicContact CG1-CE 3.92Å; V89-M93 HydrophobicContact CG1-CG 4.45Å; V89-M93 HydrophobicContact CG1-SD 4.48Å; V89-M93 WeakPolarHBondContact O-CG 3.45Å; V89-M93 PolarHBondContact O-N 2.85Å; M93-I95 VanDerWaalsContact C-N 3.29Å; M93-I95 PolarHBondContact O-N 2.84Å; M93-A96 PolarHBondContact O-N 2.78Å; M93-H97 WeakPolarHBondContact O-CB 3.27Å; M93-H97 PolarHBondContact O-N 2.93Å; M93-L104 HydrophobicContact CB-CD1 4.46Å; M93-L104 HydrophobicContact CG-CD1 3.77Å; M93-D125 HydrophobicContact CE-CB 4.36Å; M93-E128 HydrophobicContact CE-CB 3.38Å; M93-E128 HydrophobicContact CE-CG 4.27Å; M93-E128 HydrophobicContact SD-CB 4.28Å; M93-L129 HydrophobicContact CE-CG 4.31Å; M93-L129 HydrophobicContact SD-CD2 3.99Å; M93-L129 HydrophobicContact SD-CG 3.89Å; M93-L132 HydrophobicContact CB-CD1 3.88Å; M93-I134 HydrophobicContact CB-CD1 4.22Å; M93-I134 HydrophobicContact CG-CG2 4.48Å; M93-I134 WeakPolarHBondContact O-CD1 3.42Å; M93-V136 HydrophobicContact CG-CG2 3.88Å; M93-V136 HydrophobicContact SD-CG2 3.45Å; M93-V136 WeakPolarHBondContact SD-CG2 3.41Å
94K97.8Very high96.1Very high76 Ų7624.3 Ų24.333%0.3315%0.148SC..Hα-helixtrans-57.9-43.1-179.9-176.5168.7175.9-179.90112.1L75 S90 A91 L98 L132L75-K94 HydrophobicContact CD1-CD 3.91Å; L75-K94 HydrophobicContact CD1-CG 4.4Å; S90-K94 PolarHBondContact O-N 2.92Å; A91-K94 PolarHBondContact O-N 3.37Å; K94-L98 HydrophobicContact CG-CD1 4.45Å; K94-L98 WeakPolarHBondContact O-CG 3.37Å; K94-L98 PolarHBondContact O-N 2.83Å; K94-L132 HydrophobicContact CB-CD1 4.09Å
95I97.8Very high96.4Very high4 Ų422.3 Ų22.32%0.02114%0.136CC..Hα-helixtrans-70.2-45179.1-68.4166.3000111.5V42 I44 I49 V51 L75 T87 A91 T92 M93 H97 L98 A99V42-I95 HydrophobicContact CG1-CB 3.99Å; V42-I95 HydrophobicContact CG1-CD1 3.53Å; V42-I95 HydrophobicContact CG1-CG1 4.35Å; V42-I95 HydrophobicContact CG1-CG2 3.64Å; V42-I95 HydrophobicContact CG2-CG2 4.41Å; I44-I95 HydrophobicContact CD1-CD1 4.49Å; I49-I95 HydrophobicContact CD1-CD1 4.23Å; I49-I95 HydrophobicContact CD1-CG1 4.08Å; I49-I95 HydrophobicContact CG1-CD1 4.49Å; I49-I95 HydrophobicContact CG2-CB 4.41Å; I49-I95 HydrophobicContact CG2-CD1 3.67Å; I49-I95 HydrophobicContact CG2-CG1 3.98Å; I49-I95 HydrophobicContact CG2-CG2 3.55Å; V51-I95 HydrophobicContact CG2-CG2 3.46Å; V51-I95 VanDerWaalsContact CG2-CG2 3.46Å; L75-I95 HydrophobicContact CD1-CG1 4.46Å; L75-I95 HydrophobicContact CD2-CD1 3.7Å; L75-I95 HydrophobicContact CD2-CG1 4.4Å; T87-I95 HydrophobicContact CG2-CD1 4.08Å; A91-I95 WeakPolarHBondContact O-CG1 3.49Å; A91-I95 PolarHBondContact O-N 2.89Å; T92-I95 PolarHBondContact O-N 2.88Å; M93-I95 VanDerWaalsContact C-N 3.29Å; M93-I95 PolarHBondContact O-N 2.84Å; I95-H97 PolarHBondContact O-N 3.06Å; I95-L98 PolarHBondContact O-N 2.83Å; I95-A99 WeakPolarHBondContact O-CB 3.01Å; I95-A99 PolarHBondContact O-N 2.86Å
96A97.8Very high96.6Very high0 Ų022.4 Ų22.40%014%0.136CC..Hα-helixtrans-57.8-40176.900000110.9A6 T92 M93 A99 G100 I101 I134A6-A96 HydrophobicContact CB-CB 3.69Å; T92-A96 WeakPolarHBondContact O-CB 3.34Å; T92-A96 PolarHBondContact O-N 2.84Å; M93-A96 PolarHBondContact O-N 2.78Å; A96-A99 CarbonylContact O-C 3.52Å; A96-A99 PolarHBondContact O-N 2.89Å; A96-G100 PolarHBondContact O-N 2.99Å; A96-G100 VanDerWaalsContact O-N 3.07Å; A96-I101 HydrophobicContact CB-CB 4.12Å; A96-I101 PolarHBondContact O-N 3.18Å; A96-I134 HydrophobicContact CB-CD1 3.82Å
97H95.9Very high96.6Very high86 Ų8622.6 Ų22.640%0.39814%0.138SC..Hα-helixtrans-64.6-47.5178.5-174.757000111M93 I95 A99 G100 L132 I134M93-H97 WeakPolarHBondContact O-CB 3.27Å; M93-H97 PolarHBondContact O-N 2.93Å; I95-H97 PolarHBondContact O-N 3.06Å; H97-A99 PolarHBondContact O-N 3.43Å; H97-G100 PolarHBondContact O-N 3.32Å; H97-L132 HydrophobicContact CB-CD2 4.24Å; H97-I134 HydrophobicContact CB-CD1 3.66Å; H97-I134 HydrophobicContact CB-CG1 4.34Å
98L93.5Very high96.5Very high131 Ų13122.7 Ų22.769%0.68614%0.139SC*.Hα-helixtrans-61.1-31.2175.7-70.2170.2000112.5K94 I95 G100K94-L98 HydrophobicContact CG-CD1 4.45Å; K94-L98 WeakPolarHBondContact O-CG 3.37Å; K94-L98 PolarHBondContact O-N 2.83Å; I95-L98 PolarHBondContact O-N 2.83Å; L98-G100 VanDerWaalsContact C-N 3.32Å
99A92.1Very high96.5Very high52 Ų5222.1 Ų22.143%0.4314%0.136SC..THydrogen-bonded Turntrans-84.8-0.8176.300000113.7V51 I95 A96 H97 I101V51-A99 HydrophobicContact CG1-CB 4.37Å; I95-A99 WeakPolarHBondContact O-CB 3.01Å; I95-A99 PolarHBondContact O-N 2.86Å; A96-A99 CarbonylContact O-C 3.52Å; A96-A99 PolarHBondContact O-N 2.89Å; H97-A99 PolarHBondContact O-N 3.43Å; A99-I101 VanDerWaalsContact C-N 3.28Å; A99-I101 HydrophobicContact CB-CD1 3.98Å; A99-I101 HydrophobicContact CB-CG1 4.1Å; A99-I101 PolarHBondContact O-N 3.29Å
100G92.3Very high96.3Very high59 Ų5922.4 Ų22.461%0.60814%0.139SC*.THydrogen-bonded Turntrans71.217.7-177.200000114.7A96 H97 L98 P102A96-G100 PolarHBondContact O-N 2.99Å; A96-G100 VanDerWaalsContact O-N 3.07Å; H97-G100 PolarHBondContact O-N 3.32Å; L98-G100 VanDerWaalsContact C-N 3.32Å; G100-P102 WeakPolarHBondContact O-CD 3.04Å
101I95.7Very high96.2Very high12 Ų1222.3 Ų22.36%0.06214%0.138CC..  trans-88.6115179.2-58.6169.4000109V4 A6 A40 V51 A96 A99 V103V4-I101 HydrophobicContact CB-CG1 4.23Å; V4-I101 HydrophobicContact CB-CG2 4.31Å; V4-I101 HydrophobicContact CG1-CD1 3.67Å; V4-I101 HydrophobicContact CG1-CG1 3.92Å; V4-I101 HydrophobicContact CG1-CG2 4.21Å; V4-I101 WeakPolarHBondContact O-CG2 3.5Å; A6-I101 HydrophobicContact CB-CG2 3.98Å; A40-I101 HydrophobicContact CB-CD1 4Å; V51-I101 HydrophobicContact CG1-CD1 3.56Å; A96-I101 HydrophobicContact CB-CB 4.12Å; A96-I101 PolarHBondContact O-N 3.18Å; A99-I101 VanDerWaalsContact C-N 3.28Å; A99-I101 HydrophobicContact CB-CD1 3.98Å; A99-I101 HydrophobicContact CB-CG1 4.1Å; A99-I101 PolarHBondContact O-N 3.29Å; I101-V103 WeakPolarHBondContact CG2-O 3.5Å
102P95.1Very high96.1Very high30 Ų3022.6 Ų22.620%0.19514%0.14CC..  trans-86.6-13-171.532.9-35000114.7G100 A135 L284G100-P102 WeakPolarHBondContact O-CD 3.04Å; P102-A135 PolarHBondContact O-N 2.98Å; P102-L284 HydrophobicContact CB-CD2 3.81Å; P102-L284 HydrophobicContact CG-CD2 3.71Å
103V98.3Very high95.7Very high0 Ų023.8 Ų23.80%015%0.145CC..EExtended strand (participates in β ladder)trans-125.2129.3-175.3-177.30000110.1A6 I101 A135 V137 A277 I280 A281 L284A6-V103 PolarHBondContact N-O 3.01Å; I101-V103 WeakPolarHBondContact CG2-O 3.5Å; V103-A135 WeakPolarHBondContact CA-O 3.4Å; V103-A135 HydrophobicContact CG2-CB 4.46Å; V103-V137 HydrophobicContact CG1-CG2 4.02Å; V103-A277 HydrophobicContact CG1-CB 4.16Å; V103-I280 HydrophobicContact CG2-CG2 4.3Å; V103-A281 HydrophobicContact CB-CB 4.21Å; V103-A281 HydrophobicContact CG2-CB 4.08Å; V103-L284 HydrophobicContact CG2-CD2 4.02Å
104L98.6Very high95.2Very high0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans-117.8139.9173.7176.8153000109.6A6 V89 T92 M93 T106 I134 A135 V136 V137A6-L104 HydrophobicContact CB-CB 4.34Å; A6-L104 CarbonylContact O-C 3.54Å; A6-L104 WeakPolarHBondContact O-CA 3.47Å; V89-L104 HydrophobicContact CG1-CD2 4.14Å; T92-L104 HydrophobicContact CG2-CD1 3.37Å; T92-L104 HydrophobicContact CG2-CG 4.19Å; M93-L104 HydrophobicContact CB-CD1 4.46Å; M93-L104 HydrophobicContact CG-CD1 3.77Å; L104-T106 HydrophobicContact CD2-CG2 3.95Å; L104-I134 HydrophobicContact CB-CG2 3.97Å; L104-A135 PolarHBondContact N-O 3.19Å; L104-V136 HydrophobicContact CD2-CB 4.45Å; L104-V136 HydrophobicContact CD2-CG1 3.84Å; L104-V136 HydrophobicContact CD2-CG2 4.23Å; L104-V137 PolarHBondContact O-N 3.46Å
105C98.5Very high94.6Very high3 Ų330.7 Ų30.72%0.0218%0.175CC..EExtended strand (participates in β ladder)trans-116.2137172.1172.80000111.3V5 A6 L7 V137 N273 A274 A277V5-C105 HydrophobicContact CG1-CB 3.82Å; A6-C105 PolarHBondContact O-N 3.43Å; L7-C105 HydrophobicContact CD2-CB 3.72Å; C105-V137 WeakPolarHBondContact CA-O 3.32Å; C105-N273 VanDerWaalsContact SG-C 3.52Å; C105-A274 VanDerWaalsContact SG-CA 3.56Å; C105-A274 PolarHBondContact SG-N 3.25Å; C105-A274 VanDerWaalsContact SG-N 3.41Å; C105-A277 HydrophobicContact CB-CB 3.64Å
106T97.4Very high94.2Very high2 Ų231.5 Ų31.51%0.01218%0.18CC..  trans-146.1169175.4170.80000109.5E8 V89 L104 G108 I109 V136 V137 C138 N273E8-T106 VanDerWaalsContact CD-OG1 3.3Å; E8-T106 PolarHBondContact OE1-OG1 3.06Å; V89-T106 HydrophobicContact CG1-CG2 4.36Å; V89-T106 HydrophobicContact CG2-CG2 3.89Å; L104-T106 HydrophobicContact CD2-CG2 3.95Å; T106-G108 PolarHBondContact OG1-N 3.2Å; T106-I109 HydrophobicContact CG2-CG2 4.44Å; T106-V136 HydrophobicContact CG2-CG1 3.9Å; T106-V137 PolarHBondContact N-O 3.39Å; T106-C138 HydrophobicContact CG2-CB 3.63Å; T106-C138 WeakPolarHBondContact O-CA 3.33Å; T106-N273 PolarHBondContact O-ND2 2.74Å
107G94.6Very high93.8Very high3 Ų336.7 Ų36.73%0.03121%0.212CC..SBendtrans-66.6-45.8170.400000111.6A139 F173 L269 L270 N273G107-A139 VanDerWaalsContact O-CB 3.29Å; G107-A139 WeakPolarHBondContact O-CB 3.5Å; G107-A139 PolarHBondContact O-N 3.43Å; G107-F173 WeakPolarHBondContact O-CD2 3.13Å; G107-F173 WeakPolarHBondContact O-CE2 3.42Å; G107-L269 WeakPolarHBondContact O-CD1 3.45Å; G107-L270 VanDerWaalsContact N-CD2 3.26Å; G107-N273 PolarHBondContact O-ND2 2.9Å
108G94.9Very high93.3Very high2 Ų239.6 Ų39.62%0.02123%0.225CC..  trans-173.7149-17300000111.2T106 G140 K142T106-G108 PolarHBondContact OG1-N 3.2Å; G108-G140 VanDerWaalsContact CA-O 3.27Å; G108-G140 WeakPolarHBondContact CA-O 3.41Å; G108-K142 PolarHBondContact O-NZ 3.42Å
109I96.2Very high93Very high0 Ų036.6 Ų36.60%021%0.212CC..BIsolated β-bridgetrans-85.5154.8-178.960.7161.7000112.1V89 T106 L126 L129 V136 G140 V141 K142 L209V89-I109 HydrophobicContact CG1-CG2 4.22Å; T106-I109 HydrophobicContact CG2-CG2 4.44Å; I109-L126 HydrophobicContact CD1-CD2 4.18Å; I109-L129 HydrophobicContact CD1-CD1 4.23Å; I109-V136 HydrophobicContact CG2-CG1 3.71Å; I109-G140 PolarHBondContact N-O 3.02Å; I109-G140 VanDerWaalsContact N-O 3.11Å; I109-V141 HydrophobicContact CD1-CG2 4.05Å; I109-V141 HydrophobicContact CG1-CG2 4.03Å; I109-K142 WeakPolarHBondContact O-CG 3.45Å; I109-K142 PolarHBondContact O-N 3.01Å; I109-K142 VanDerWaalsContact O-N 3.17Å; I109-L209 HydrophobicContact CD1-CD1 3.74Å; I109-L209 HydrophobicContact CD1-CD2 3.57Å; I109-L209 HydrophobicContact CD1-CG 4.31Å; I109-L209 HydrophobicContact CG1-CD1 4.18Å; I109-L209 HydrophobicContact CG1-CD2 4.47Å; I109-L209 HydrophobicContact CG2-CD1 3.91Å
110G94.2Very high92.8Very high8 Ų838.6 Ų38.68%0.08222%0.223CC..  trans-67.9174158.100000111.2D125G110-D125 WeakPolarHBondContact CA-OD2 3.44Å; G110-D125 PolarHBondContact N-OD2 2.87Å
111G95.1Very high92.6Very high0 Ų038.1 Ų38.10%021%0.207CC..  trans-168.8-152.7-173.100000111.3S123G111-S123 VanDerWaalsContact N-CB 3.25Å; G111-S123 PolarHBondContact O-N 3.47Å
112V95.1Very high92.5Very high6 Ų640.6 Ų40.64%0.03622%0.22CC..BIsolated β-bridgetrans-81.7127.6176.81790000109.4V116 I122 L126 L145 D146 R149 T150 F153V112-V116 HydrophobicContact CG1-CB 3.71Å; V112-V116 HydrophobicContact CG1-CG1 3.61Å; V112-V116 HydrophobicContact CG1-CG2 3.88Å; V112-I122 HydrophobicContact CG2-CG1 4.47Å; V112-I122 HydrophobicContact CG2-CG2 4.4Å; V112-L126 HydrophobicContact CG2-CD1 4.05Å; V112-L145 WeakPolarHBondContact O-CB 3.49Å; V112-D146 PolarHBondContact O-N 3.46Å; V112-R149 HydrophobicContact CB-CB 4.01Å; V112-R149 HydrophobicContact CG1-CB 3.82Å; V112-R149 HydrophobicContact CG2-CB 4.32Å; V112-T150 PolarHBondContact N-OG1 2.94Å; V112-F153 HydrophobicContact CG2-CB 4.29Å
113H90.4Very high92.4Very high25 Ų2540.3 Ų40.312%0.11622%0.218CC..  trans-72.8153.6175.7-79.7-117.5000111.9D115 V116 D121H113-D115 WeakPolarHBondContact CB-OD1 3.35Å; H113-D115 PolarHBondContact O-N 3.24Å; H113-V116 VanDerWaalsContact O-CB 3.28Å; H113-V116 WeakPolarHBondContact O-CB 3.36Å; H113-V116 PolarHBondContact O-N 2.92Å; H113-D121 HydrophobicContact CB-CB 4.09Å; H113-D121 WeakPolarHBondContact CB-O 3.17Å; H113-D121 PolarHBondContact CD2-O 3.06Å; H113-D121 IonicContact CD2-OD1 2.7Å; H113-D121 IonicContact CD2-OD2 2.74Å; H113-D121 IonicContact CE1-OD2 3.48Å; H113-D121 PolarHBondContact N-O 2.85Å; H113-D121 VanDerWaalsContact N-O 3.14Å; H113-D121 IonicContact ND1-OD2 3.51Å; H113-D121 IonicContact NE2-OD2 3.92Å
114R87.5Confident92.3Very high146 Ų14641.7 Ų41.755%0.55123%0.23SC*.THydrogen-bonded Turntrans-68.2-23.3-177-66.8-174.9175.7-145.93.3113.4A143 L145 D146R114-A143 PolarHBondContact NH2-O 3Å; R114-L145 PolarHBondContact NE-O 2.67Å; R114-L145 VanDerWaalsContact NE-O 3.12Å; R114-D146 HydrophobicContact CG-CB 4.15Å
115D85.7Confident92.2Very high75 Ų7542.1 Ų42.140%0.40123%0.232SC..THydrogen-bonded Turntrans-101.727.4175.958.7-27.5000112H113 V117 E118 T119H113-D115 WeakPolarHBondContact CB-OD1 3.35Å; H113-D115 PolarHBondContact O-N 3.24Å; D115-V117 PolarHBondContact O-N 2.85Å; D115-E118 WeakPolarHBondContact CA-OE2 3.35Å; D115-E118 PolarHBondContact O-N 3Å; D115-T119 HydrophobicContact CB-CG2 4.25Å; D115-T119 WeakPolarHBondContact O-CB 3.47Å; D115-T119 WeakPolarHBondContact O-CG2 3.33Å; D115-T119 PolarHBondContact O-N 2.93Å; D115-T119 PolarHBondContact O-OG1 3.39Å; D115-T119 WeakPolarHBondContact OD2-CG2 3.4Å
116V88.7Confident92.2Very high21 Ų2142 Ų4213%0.12723%0.231CC..Hα-helixtrans-60.9-28.5-178.466.50000112.8V112 H113 E118 S120 I122V112-V116 HydrophobicContact CG1-CB 3.71Å; V112-V116 HydrophobicContact CG1-CG1 3.61Å; V112-V116 HydrophobicContact CG1-CG2 3.88Å; H113-V116 VanDerWaalsContact O-CB 3.28Å; H113-V116 WeakPolarHBondContact O-CB 3.36Å; H113-V116 PolarHBondContact O-N 2.92Å; V116-E118 PolarHBondContact O-N 3.4Å; V116-S120 VanDerWaalsContact O-CA 3.22Å; V116-S120 WeakPolarHBondContact O-CA 3.3Å; V116-S120 PolarHBondContact O-N 2.89Å; V116-I122 HydrophobicContact CG2-CD1 4.18Å; V116-I122 HydrophobicContact CG2-CG1 3.83Å
117V89.7Confident92.2Very high110 Ų11045 Ų4567%0.66725%0.246SC*.Hα-helixtrans-64-37.1179.7178.20000110.2D115D115-V117 PolarHBondContact O-N 2.85Å
118E86.6Confident92.3Very high147 Ų14745 Ų4569%0.68725%0.245SC*.Hα-helixtrans-90.6-35-179-59.879.6-176.600112.7D115 V116D115-E118 WeakPolarHBondContact CA-OE2 3.35Å; D115-E118 PolarHBondContact O-N 3Å; V116-E118 PolarHBondContact O-N 3.4Å
119T85.5Confident92.5Very high67 Ų6744.9 Ų44.941%0.41124%0.244SC..Hα-helixtrans-104.8-23.6-170.663.10000114.6D115 D121D115-T119 HydrophobicContact CB-CG2 4.25Å; D115-T119 WeakPolarHBondContact O-CB 3.47Å; D115-T119 WeakPolarHBondContact O-CG2 3.33Å; D115-T119 PolarHBondContact O-N 2.93Å; D115-T119 PolarHBondContact O-OG1 3.39Å; D115-T119 WeakPolarHBondContact OD2-CG2 3.4Å; T119-D121 PolarHBondContact O-N 3.4Å; T119-D121 WeakPolarHBondContact OG1-CB 3.29Å; T119-D121 PolarHBondContact OG1-N 3.26Å; T119-D121 VanDerWaalsContact OG1-N 3.15Å
120S88.5Confident92.6Very high94 Ų9446.1 Ų46.166%0.65725%0.253SS*.  trans53.725.9-165.7-56.80000113.9V116 I122V116-S120 VanDerWaalsContact O-CA 3.22Å; V116-S120 WeakPolarHBondContact O-CA 3.3Å; V116-S120 PolarHBondContact O-N 2.89Å; S120-I122 PolarHBondContact O-N 3.2Å
121D89.1Confident92.6Very high49 Ų4951.8 Ų51.826%0.26227%0.272SS..  trans-77.4102.9-178.3-162.3-4.2000111.3H113 T119H113-D121 HydrophobicContact CB-CB 4.09Å; H113-D121 WeakPolarHBondContact CB-O 3.17Å; H113-D121 PolarHBondContact CD2-O 3.06Å; H113-D121 IonicContact CD2-OD1 2.7Å; H113-D121 IonicContact CD2-OD2 2.74Å; H113-D121 IonicContact CE1-OD2 3.48Å; H113-D121 PolarHBondContact N-O 2.85Å; H113-D121 VanDerWaalsContact N-O 3.14Å; H113-D121 IonicContact ND1-OD2 3.51Å; H113-D121 IonicContact NE2-OD2 3.92Å; T119-D121 PolarHBondContact O-N 3.4Å; T119-D121 WeakPolarHBondContact OG1-CB 3.29Å; T119-D121 PolarHBondContact OG1-N 3.26Å; T119-D121 VanDerWaalsContact OG1-N 3.15Å
122I93.2Very high92.7Very high65 Ų6552.6 Ų52.633%0.33328%0.276SS..BIsolated β-bridgetrans-123.3130.1178.4-58.2177.4000108.8V112 V116 S120 L126 F153V112-I122 HydrophobicContact CG2-CG1 4.47Å; V112-I122 HydrophobicContact CG2-CG2 4.4Å; V116-I122 HydrophobicContact CG2-CD1 4.18Å; V116-I122 HydrophobicContact CG2-CG1 3.83Å; S120-I122 PolarHBondContact O-N 3.2Å; I122-L126 HydrophobicContact CG2-CD1 3.81Å; I122-F153 HydrophobicContact CD1-CD2 4.36Å; I122-F153 HydrophobicContact CD1-CE2 4.05Å; I122-F153 HydrophobicContact CG2-CD2 4.48Å; I122-F153 HydrophobicContact CG2-CE2 4.13Å; I122-F153 HydrophobicContact CG2-CZ 4.4Å
123S93.8Very high92.7Very high24 Ų2453.9 Ų53.917%0.16829%0.285CS..  trans-62.4137.7-179.7-175.40000112.7G111 D125 L126G111-S123 VanDerWaalsContact N-CB 3.25Å; G111-S123 PolarHBondContact O-N 3.47Å; S123-D125 PolarHBondContact O-N 3.3Å; S123-D125 VanDerWaalsContact O-N 3.11Å; S123-D125 WeakPolarHBondContact OG-CB 3.49Å; S123-D125 PolarHBondContact OG-N 2.91Å; S123-D125 PolarHBondContact OG-OD2 3.24Å; S123-L126 PolarHBondContact O-N 3.39Å
124A95.1Very high92.9Very high29 Ų2952.8 Ų52.824%0.2428%0.28CS..Hα-helixtrans-59.3-20.5170.500000112.9L126 I127 E128A124-L126 PolarHBondContact O-N 3.48Å; A124-I127 PolarHBondContact O-N 2.93Å; A124-E128 WeakPolarHBondContact O-CG 3.38Å; A124-E128 PolarHBondContact O-N 3.09Å
125D97.1Very high93.5Very high9 Ų945.9 Ų45.95%0.04825%0.254CS..Hα-helixtrans-58.9-37.3177.8-56.4-17.8000111.4S90 M93 G110 S123 E128 L129S90-D125 WeakPolarHBondContact CB-OD1 3.34Å; S90-D125 PolarHBondContact N-OD1 2.9Å; S90-D125 PolarHBondContact OG-OD1 3.46Å; M93-D125 HydrophobicContact CE-CB 4.36Å; G110-D125 WeakPolarHBondContact CA-OD2 3.44Å; G110-D125 PolarHBondContact N-OD2 2.87Å; S123-D125 PolarHBondContact O-N 3.3Å; S123-D125 VanDerWaalsContact O-N 3.11Å; S123-D125 WeakPolarHBondContact OG-CB 3.49Å; S123-D125 PolarHBondContact OG-N 2.91Å; S123-D125 PolarHBondContact OG-OD2 3.24Å; D125-E128 PolarHBondContact O-N 3.37Å; D125-L129 WeakPolarHBondContact O-CB 3.4Å; D125-L129 WeakPolarHBondContact O-CG 3.26Å; D125-L129 PolarHBondContact O-N 2.95Å
126L97.9Very high94.1Very high0 Ų042.3 Ų42.30%024%0.235CC..Hα-helixtrans-68.9-36.8178.9-52.4-174.1000112.1I109 V112 I122 S123 A124 S130 T150 F153 L154I109-L126 HydrophobicContact CD1-CD2 4.18Å; V112-L126 HydrophobicContact CG2-CD1 4.05Å; I122-L126 HydrophobicContact CG2-CD1 3.81Å; S123-L126 PolarHBondContact O-N 3.39Å; A124-L126 PolarHBondContact O-N 3.48Å; L126-S130 PolarHBondContact O-N 2.92Å; L126-S130 VanDerWaalsContact O-N 3.12Å; L126-T150 HydrophobicContact CD1-CG2 4.11Å; L126-T150 HydrophobicContact CD2-CG2 3.73Å; L126-F153 HydrophobicContact CB-CD1 3.7Å; L126-F153 HydrophobicContact CB-CE1 3.55Å; L126-F153 HydrophobicContact CB-CZ 4.41Å; L126-F153 HydrophobicContact CD1-CB 4.15Å; L126-F153 HydrophobicContact CD1-CD1 3.61Å; L126-F153 HydrophobicContact CD1-CD2 4.43Å; L126-F153 HydrophobicContact CD1-CE1 4.11Å; L126-F153 HydrophobicContact CD1-CG 3.8Å; L126-F153 HydrophobicContact CG-CD1 4.26Å; L126-F153 HydrophobicContact CG-CE1 4.5Å; L126-L154 HydrophobicContact CD2-CD2 3.82Å; L126-L154 HydrophobicContact CD2-CG 4.19Å
127I96.9Very high94.6Very high65 Ų6541.3 Ų41.333%0.33323%0.228SC..Hα-helixtrans-71.9-36177.7-59-60.8000111.6A124 S130 R131 F153A124-I127 PolarHBondContact O-N 2.93Å; I127-S130 PolarHBondContact O-N 3.34Å; I127-S130 PolarHBondContact O-OG 2.83Å; I127-R131 WeakPolarHBondContact O-CG 3.39Å; I127-F153 HydrophobicContact CD1-CE1 4.27Å; I127-F153 HydrophobicContact CD1-CZ 3.79Å
128E98Very high95Very high3 Ų336 Ų361%0.01420%0.197CC..Hα-helixtrans-71.4-40.1175-65.8-56.6168.400111.4S72 M93 A124 D125 S130 R131 L132S72-E128 WeakPolarHBondContact CB-OE1 3.44Å; S72-E128 PolarHBondContact OG-OE1 3.49Å; M93-E128 HydrophobicContact CE-CB 3.38Å; M93-E128 HydrophobicContact CE-CG 4.27Å; M93-E128 HydrophobicContact SD-CB 4.28Å; A124-E128 WeakPolarHBondContact O-CG 3.38Å; A124-E128 PolarHBondContact O-N 3.09Å; D125-E128 PolarHBondContact O-N 3.37Å; E128-S130 PolarHBondContact O-N 3.45Å; E128-R131 PolarHBondContact O-N 3.24Å; E128-R131 IonicContact OE1-CZ 2.99Å; E128-R131 IonicContact OE1-NE 3.62Å; E128-R131 IonicContact OE1-NH2 3.6Å; E128-R131 PolarHBondContact OE1-NH2 3.22Å; E128-R131 IonicContact OE2-CZ 2.9Å; E128-R131 VanDerWaalsContact OE2-CZ 3.23Å; E128-R131 IonicContact OE2-NE 3.36Å; E128-R131 PolarHBondContact OE2-NE 2.92Å; E128-R131 IonicContact OE2-NH2 3.63Å; E128-R131 PolarHBondContact OE2-NH2 3.22Å; E128-L132 HydrophobicContact CB-CD1 4.09Å; E128-L132 WeakPolarHBondContact O-CB 3.45Å; E128-L132 WeakPolarHBondContact O-CG 3.42Å; E128-L132 PolarHBondContact O-N 3Å; E128-L132 WeakPolarHBondContact OE2-CD1 3.41Å
129L98.2Very high95.4Very high0 Ų029 Ų290%016%0.164CC..Hα-helixtrans-59.1-32.9172.9-85.4168.5000112.5M93 I109 D125 R131 V136 L154 V159 S206 G207M93-L129 HydrophobicContact CE-CG 4.31Å; M93-L129 HydrophobicContact SD-CD2 3.99Å; M93-L129 HydrophobicContact SD-CG 3.89Å; I109-L129 HydrophobicContact CD1-CD1 4.23Å; D125-L129 WeakPolarHBondContact O-CB 3.4Å; D125-L129 WeakPolarHBondContact O-CG 3.26Å; D125-L129 PolarHBondContact O-N 2.95Å; L129-R131 VanDerWaalsContact C-N 3.25Å; L129-R131 PolarHBondContact O-N 3Å; L129-V136 HydrophobicContact CD2-CB 4.24Å; L129-V136 HydrophobicContact CD2-CG2 3.73Å; L129-L154 HydrophobicContact CD1-CD2 4.05Å; L129-V159 HydrophobicContact CB-CG1 4.04Å; L129-V159 HydrophobicContact CB-CG2 4.14Å; L129-V159 HydrophobicContact CD2-CG1 4.31Å; L129-S206 CarbonylContact O-C 3.29Å; L129-S206 WeakPolarHBondContact O-CA 3.28Å; L129-G207 PolarHBondContact O-N 3.12Å
130S97.5Very high96Very high26 Ų2625.9 Ų25.918%0.18214%0.144CC..THydrogen-bonded Turntrans-74.5-11.9179.970.20000114.8L126 I127 E128L126-S130 PolarHBondContact O-N 2.92Å; L126-S130 VanDerWaalsContact O-N 3.12Å; I127-S130 PolarHBondContact O-N 3.34Å; I127-S130 PolarHBondContact O-OG 2.83Å; E128-S130 PolarHBondContact O-N 3.45Å
131R95.6Very high96.3Very high126 Ų12621.4 Ų21.448%0.47511%0.113SC..THydrogen-bonded Turntrans-132.6-8.9-171.975.6-170.4-174.1174.6-1.4115.9I127 E128 L129 K205I127-R131 WeakPolarHBondContact O-CG 3.39Å; E128-R131 PolarHBondContact O-N 3.24Å; E128-R131 IonicContact OE1-CZ 2.99Å; E128-R131 IonicContact OE1-NE 3.62Å; E128-R131 IonicContact OE1-NH2 3.6Å; E128-R131 PolarHBondContact OE1-NH2 3.22Å; E128-R131 IonicContact OE2-CZ 2.9Å; E128-R131 VanDerWaalsContact OE2-CZ 3.23Å; E128-R131 IonicContact OE2-NE 3.36Å; E128-R131 PolarHBondContact OE2-NE 2.92Å; E128-R131 IonicContact OE2-NH2 3.63Å; E128-R131 PolarHBondContact OE2-NH2 3.22Å; L129-R131 VanDerWaalsContact C-N 3.25Å; L129-R131 PolarHBondContact O-N 3Å; R131-K205 CarbonylContact C-O 3.58Å; R131-K205 VanDerWaalsContact CA-O 3.31Å; R131-K205 WeakPolarHBondContact CA-O 3.33Å
132L96.2Very high96.5Very high17 Ų1720.4 Ų20.49%0.08911%0.107CC..SBendtrans-115.6119180-60.6178.5000109.7M93 K94 H97 E128 I134 K205 G207M93-L132 HydrophobicContact CB-CD1 3.88Å; K94-L132 HydrophobicContact CB-CD1 4.09Å; H97-L132 HydrophobicContact CB-CD2 4.24Å; E128-L132 HydrophobicContact CB-CD1 4.09Å; E128-L132 WeakPolarHBondContact O-CB 3.45Å; E128-L132 WeakPolarHBondContact O-CG 3.42Å; E128-L132 PolarHBondContact O-N 3Å; E128-L132 WeakPolarHBondContact OE2-CD1 3.41Å; L132-I134 PolarHBondContact O-N 2.99Å; L132-K205 PolarHBondContact N-O 3.12Å; L132-G207 WeakPolarHBondContact O-CA 3.26Å; L132-G207 PolarHBondContact O-N 2.79Å
133P94.9Very high96Very high34 Ų3417.7 Ų17.722%0.2219%0.094CC..  trans-76.866.3-178.332.6-37.1000112
134I96.2Very high95.6Very high2 Ų217.2 Ų17.21%0.019%0.089CC..  trans-120.3138.9177.7-70.4175.8000109.9M93 A96 H97 L104 L132 V136 G207 V208M93-I134 HydrophobicContact CB-CD1 4.22Å; M93-I134 HydrophobicContact CG-CG2 4.48Å; M93-I134 WeakPolarHBondContact O-CD1 3.42Å; A96-I134 HydrophobicContact CB-CD1 3.82Å; H97-I134 HydrophobicContact CB-CD1 3.66Å; H97-I134 HydrophobicContact CB-CG1 4.34Å; L104-I134 HydrophobicContact CB-CG2 3.97Å; L132-I134 PolarHBondContact O-N 2.99Å; I134-V136 HydrophobicContact CG2-CG2 4.37Å; I134-G207 CarbonylContact O-C 3.57Å; I134-G207 WeakPolarHBondContact O-CA 3.48Å; I134-V208 PolarHBondContact O-N 2.84Å
135A98.3Very high95.4Very high0 Ų016 Ų160%08%0.079CC..EExtended strand (participates in β ladder)trans-83123.1167.600000110.5P102 V103 L104 I196 V208P102-A135 PolarHBondContact O-N 2.98Å; V103-A135 WeakPolarHBondContact CA-O 3.4Å; V103-A135 HydrophobicContact CG2-CB 4.46Å; L104-A135 PolarHBondContact N-O 3.19Å; A135-I196 HydrophobicContact CB-CD1 3.39Å; A135-I196 HydrophobicContact CB-CG1 3.86Å; A135-I196 HydrophobicContact CB-CG2 4.29Å; A135-V208 CarbonylContact C-O 3.5Å; A135-V208 VanDerWaalsContact CA-O 3.32Å; A135-V208 WeakPolarHBondContact CA-O 3.34Å
136V98.8Very high95.3Very high0 Ų017.1 Ų17.10%09%0.085CC..EExtended strand (participates in β ladder)trans-104.3109175.6176.70000109V89 M93 L104 T106 I109 L129 I134 V208 L209 V210V89-V136 HydrophobicContact CG1-CG1 4.24Å; M93-V136 HydrophobicContact CG-CG2 3.88Å; M93-V136 HydrophobicContact SD-CG2 3.45Å; M93-V136 WeakPolarHBondContact SD-CG2 3.41Å; L104-V136 HydrophobicContact CD2-CB 4.45Å; L104-V136 HydrophobicContact CD2-CG1 3.84Å; L104-V136 HydrophobicContact CD2-CG2 4.23Å; T106-V136 HydrophobicContact CG2-CG1 3.9Å; I109-V136 HydrophobicContact CG2-CG1 3.71Å; L129-V136 HydrophobicContact CD2-CB 4.24Å; L129-V136 HydrophobicContact CD2-CG2 3.73Å; I134-V136 HydrophobicContact CG2-CG2 4.37Å; V136-V208 PolarHBondContact N-O 3.38Å; V136-L209 HydrophobicContact CB-CD1 4.36Å; V136-L209 HydrophobicContact CG1-CD1 4.27Å; V136-V210 PolarHBondContact O-N 3.3Å
137V98.8Very high95.2Very high0 Ų017.8 Ų17.80%09%0.088CC..EExtended strand (participates in β ladder)trans-91.9120.8177.4-174.40000109.2V103 L104 C105 T106 V210 V212 V276 A277 I280V103-V137 HydrophobicContact CG1-CG2 4.02Å; L104-V137 PolarHBondContact O-N 3.46Å; C105-V137 WeakPolarHBondContact CA-O 3.32Å; T106-V137 PolarHBondContact N-O 3.39Å; V137-V210 WeakPolarHBondContact CA-O 3.21Å; V137-V210 HydrophobicContact CG1-CG1 4.38Å; V137-V210 HydrophobicContact CG2-CB 4.07Å; V137-V210 HydrophobicContact CG2-CG1 4.27Å; V137-V210 HydrophobicContact CG2-CG2 4.49Å; V137-V212 HydrophobicContact CG1-CG2 3.58Å; V137-V276 HydrophobicContact CG1-CB 4.36Å; V137-V276 HydrophobicContact CG1-CG1 4.07Å; V137-A277 HydrophobicContact CB-CB 3.89Å; V137-A277 HydrophobicContact CG1-CB 4.05Å; V137-A277 HydrophobicContact CG2-CB 3.93Å; V137-I280 HydrophobicContact CG2-CD1 3.99Å
138C98.2Very high95.2Very high0 Ų017.9 Ų17.90%09%0.093CC..EExtended strand (participates in β ladder)trans-157.4173.3-175.673.30000112.8T106 G140 L209 V210 A211 V212 N273T106-C138 HydrophobicContact CG2-CB 3.63Å; T106-C138 WeakPolarHBondContact O-CA 3.33Å; C138-G140 PolarHBondContact O-N 2.91Å; C138-G140 VanDerWaalsContact O-N 3.15Å; C138-G140 PolarHBondContact SG-N 2.82Å; C138-G140 VanDerWaalsContact SG-N 3.35Å; C138-L209 VanDerWaalsContact SG-CD1 3.58Å; C138-V210 PolarHBondContact N-O 3.27Å; C138-A211 CarbonylContact O-C 3.54Å; C138-A211 WeakPolarHBondContact O-CA 3.49Å; C138-V212 PolarHBondContact O-N 2.69Å; C138-N273 WeakPolarHBondContact CA-ND2 3.37Å
139A96.7Very high95.2Very high0 Ų023.9 Ų23.90%012%0.116CC..SBendtrans-83.425.3175.500000113.3G107 F173 V212 L269 N273G107-A139 VanDerWaalsContact O-CB 3.29Å; G107-A139 WeakPolarHBondContact O-CB 3.5Å; G107-A139 PolarHBondContact O-N 3.43Å; A139-F173 HydrophobicContact CB-CD2 4.3Å; A139-F173 WeakPolarHBondContact O-CA 3.45Å; A139-F173 PolarHBondContact O-N 2.77Å; A139-V212 WeakPolarHBondContact CA-O 3.31Å; A139-L269 HydrophobicContact CB-CB 4.3Å; A139-L269 HydrophobicContact CB-CD1 3.99Å; A139-L269 HydrophobicContact CB-CD2 4.42Å; A139-L269 HydrophobicContact CB-CG 4.45Å; A139-N273 PolarHBondContact N-ND2 2.97Å; A139-N273 VanDerWaalsContact N-ND2 3.11Å
140G96.7Very high95.2Very high0 Ų023.9 Ų23.90%012%0.116CC..BIsolated β-bridgetrans88.4-159.2-175.800000114G108 I109 C138G108-G140 VanDerWaalsContact CA-O 3.27Å; G108-G140 WeakPolarHBondContact CA-O 3.41Å; I109-G140 PolarHBondContact N-O 3.02Å; I109-G140 VanDerWaalsContact N-O 3.11Å; C138-G140 PolarHBondContact O-N 2.91Å; C138-G140 VanDerWaalsContact O-N 3.15Å; C138-G140 PolarHBondContact SG-N 2.82Å; C138-G140 VanDerWaalsContact SG-N 3.35Å
141V96.2Very high95.2Very high0 Ų023.3 Ų23.30%011%0.11CC..BIsolated β-bridgetrans-79.7136.2-179.2178.80000109.1I109 A143 L145 I147 T150 F170I109-V141 HydrophobicContact CD1-CG2 4.05Å; I109-V141 HydrophobicContact CG1-CG2 4.03Å; V141-A143 PolarHBondContact O-N 3.47Å; V141-L145 HydrophobicContact CG1-CB 3.88Å; V141-L145 HydrophobicContact CG1-CD1 3.77Å; V141-L145 HydrophobicContact CG1-CG 4.46Å; V141-I147 HydrophobicContact CB-CG1 4.1Å; V141-I147 HydrophobicContact CG1-CG1 4.2Å; V141-T150 HydrophobicContact CG1-CG2 4.22Å; V141-T150 HydrophobicContact CG2-CG2 3.58Å; V141-F170 HydrophobicContact CB-CE1 4.48Å; V141-F170 HydrophobicContact CG2-CE1 3.98Å; V141-F170 HydrophobicContact CG2-CZ 4.36Å
142K92Very high95.3Very high29 Ų2922.9 Ų22.913%0.12611%0.114CC..  trans-51.9125.7178-70.3177.9-179.876.60110.4G108 I109 I144 L145 T247G108-K142 PolarHBondContact O-NZ 3.42Å; I109-K142 WeakPolarHBondContact O-CG 3.45Å; I109-K142 PolarHBondContact O-N 3.01Å; I109-K142 VanDerWaalsContact O-N 3.17Å; K142-I144 HydrophobicContact CB-CG1 3.96Å; K142-I144 PolarHBondContact O-N 3.17Å; K142-L145 HydrophobicContact CB-CD1 4.04Å; K142-L145 HydrophobicContact CB-CG 4.4Å; K142-L145 VanDerWaalsContact O-CB 3.32Å; K142-L145 WeakPolarHBondContact O-CB 3.16Å; K142-L145 PolarHBondContact O-N 3.25Å; K142-T247 HydrophobicContact CD-CG2 3.89Å
143A83.7Confident95.4Very high8 Ų823.6 Ų23.67%0.06612%0.116CC..THydrogen-bonded Turntrans-55.8-20.5-171.800000115.8R114 V141 L145 F173 F174 F175 I229R114-A143 PolarHBondContact NH2-O 3Å; V141-A143 PolarHBondContact O-N 3.47Å; A143-L145 PolarHBondContact O-N 3.42Å; A143-F173 HydrophobicContact CB-CB 4.49Å; A143-F174 HydrophobicContact CB-CD2 4.37Å; A143-F175 HydrophobicContact CB-CD2 4.36Å; A143-F175 HydrophobicContact CB-CE2 4.16Å; A143-I229 HydrophobicContact CB-CD1 3.94Å
144I84.4Confident95.6Very high14 Ų1422 Ų227%0.07211%0.106CC..THydrogen-bonded Turntrans-71.8-13.2175.852.2158.8000113.8K142 I229 L233 T247 L250K142-I144 HydrophobicContact CB-CG1 3.96Å; K142-I144 PolarHBondContact O-N 3.17Å; I144-I229 HydrophobicContact CG2-CG2 4.15Å; I144-L233 HydrophobicContact CB-CD2 4.31Å; I144-T247 HydrophobicContact CD1-CG2 4.17Å; I144-L250 HydrophobicContact CB-CD1 3.81Å; I144-L250 HydrophobicContact CD1-CB 4.24Å; I144-L250 HydrophobicContact CD1-CD1 3.47Å; I144-L250 VanDerWaalsContact CD1-CD1 3.47Å; I144-L250 HydrophobicContact CD1-CG 4.49Å; I144-L250 HydrophobicContact CG1-CD1 4.22Å; I144-L250 HydrophobicContact CG2-CB 4.15Å; I144-L250 HydrophobicContact CG2-CD1 3.81Å; I144-L250 HydrophobicContact CG2-CG 4.43Å
145L91.2Very high95.7Very high4 Ų428.5 Ų28.52%0.02114%0.136CC..SBendtrans-95.5177-177.1-62.8171.4000112V112 R114 V141 K142 A143V112-L145 WeakPolarHBondContact O-CB 3.49Å; R114-L145 PolarHBondContact NE-O 2.67Å; R114-L145 VanDerWaalsContact NE-O 3.12Å; V141-L145 HydrophobicContact CG1-CB 3.88Å; V141-L145 HydrophobicContact CG1-CD1 3.77Å; V141-L145 HydrophobicContact CG1-CG 4.46Å; K142-L145 HydrophobicContact CB-CD1 4.04Å; K142-L145 HydrophobicContact CB-CG 4.4Å; K142-L145 VanDerWaalsContact O-CB 3.32Å; K142-L145 WeakPolarHBondContact O-CB 3.16Å; K142-L145 PolarHBondContact O-N 3.25Å; A143-L145 PolarHBondContact O-N 3.42Å
146D94Very high95.7Very high31 Ų3133.7 Ų33.717%0.16617%0.168CC..BIsolated β-bridgetrans-88.498.3171.1-169.1-35.8000109.3V112 R114 P148 R149 T150V112-D146 PolarHBondContact O-N 3.46Å; R114-D146 HydrophobicContact CG-CB 4.15Å; D146-P148 VanDerWaalsContact OD1-CD 3.3Å; D146-P148 WeakPolarHBondContact OD1-CD 3.47Å; D146-R149 HydrophobicContact CB-CB 4.16Å; D146-R149 HydrophobicContact CB-CG 4.45Å; D146-R149 VanDerWaalsContact CG-CG 3.48Å; D146-R149 WeakPolarHBondContact OD1-CB 3.48Å; D146-R149 WeakPolarHBondContact OD1-CG 3.04Å; D146-R149 PolarHBondContact OD1-N 2.81Å; D146-R149 WeakPolarHBondContact OD2-CD 3.32Å; D146-R149 WeakPolarHBondContact OD2-CG 3.48Å; D146-R149 IonicContact OD2-NE 3.08Å; D146-R149 PolarHBondContact OD2-NE 3.2Å; D146-R149 VanDerWaalsContact OD2-NE 3.12Å; D146-T150 WeakPolarHBondContact O-CB 3.26Å; D146-T150 PolarHBondContact O-N 2.94Å; D146-T150 PolarHBondContact O-OG1 2.88Å
147I96.2Very high95.6Very high15 Ų1538.9 Ų38.98%0.07719%0.188CC..Hα-helixtrans-66.5-50.1-176.4-58.3177000111.3V141 R149 T150 L151 F170 V180V141-I147 HydrophobicContact CB-CG1 4.1Å; V141-I147 HydrophobicContact CG1-CG1 4.2Å; I147-R149 PolarHBondContact O-N 3.42Å; I147-T150 WeakPolarHBondContact O-CB 3.4Å; I147-T150 PolarHBondContact O-N 3.46Å; I147-T150 VanDerWaalsContact O-N 3.1Å; I147-L151 HydrophobicContact CG2-CD1 4.32Å; I147-L151 PolarHBondContact O-N 2.82Å; I147-F170 HydrophobicContact CG2-CD1 3.81Å; I147-F170 HydrophobicContact CG2-CE1 4.13Å; I147-V180 HydrophobicContact CG2-CG2 4.23Å
148P97.4Very high95.5Very high67 Ų6742.1 Ų42.144%0.43522%0.215SC..Hα-helixtrans-52.4-51.8175.5-27.333.7000113.2D146 T150 L151 E152 V180D146-P148 VanDerWaalsContact OD1-CD 3.3Å; D146-P148 WeakPolarHBondContact OD1-CD 3.47Å; P148-T150 PolarHBondContact O-N 2.88Å; P148-L151 PolarHBondContact O-N 2.93Å; P148-L151 VanDerWaalsContact O-N 3.15Å; P148-E152 WeakPolarHBondContact O-CG 3.4Å; P148-E152 PolarHBondContact O-N 3.39Å; P148-V180 HydrophobicContact CG-CG2 3.81Å
149R97.2Very high95.5Very high129 Ų12942.4 Ų42.449%0.48722%0.217SC..Hα-helixtrans-64.6-29.8179.7-68.5-176-169.7-85.1-0.1113.1V112 D146 I147 F153V112-R149 HydrophobicContact CB-CB 4.01Å; V112-R149 HydrophobicContact CG1-CB 3.82Å; V112-R149 HydrophobicContact CG2-CB 4.32Å; D146-R149 HydrophobicContact CB-CB 4.16Å; D146-R149 HydrophobicContact CB-CG 4.45Å; D146-R149 VanDerWaalsContact CG-CG 3.48Å; D146-R149 WeakPolarHBondContact OD1-CB 3.48Å; D146-R149 WeakPolarHBondContact OD1-CG 3.04Å; D146-R149 PolarHBondContact OD1-N 2.81Å; D146-R149 WeakPolarHBondContact OD2-CD 3.32Å; D146-R149 WeakPolarHBondContact OD2-CG 3.48Å; D146-R149 IonicContact OD2-NE 3.08Å; D146-R149 PolarHBondContact OD2-NE 3.2Å; D146-R149 VanDerWaalsContact OD2-NE 3.12Å; I147-R149 PolarHBondContact O-N 3.42Å; R149-F153 WeakPolarHBondContact O-CB 3.26Å; R149-F153 PolarHBondContact O-N 3.46Å
150T98.2Very high95.6Very high0 Ų043.5 Ų43.50%022%0.224CC..Hα-helixtrans-68.3-41.7175.6-58.20000111.2V112 L126 V141 D146 I147 P148 F153 L154V112-T150 PolarHBondContact N-OG1 2.94Å; L126-T150 HydrophobicContact CD1-CG2 4.11Å; L126-T150 HydrophobicContact CD2-CG2 3.73Å; V141-T150 HydrophobicContact CG1-CG2 4.22Å; V141-T150 HydrophobicContact CG2-CG2 3.58Å; D146-T150 WeakPolarHBondContact O-CB 3.26Å; D146-T150 PolarHBondContact O-N 2.94Å; D146-T150 PolarHBondContact O-OG1 2.88Å; I147-T150 WeakPolarHBondContact O-CB 3.4Å; I147-T150 PolarHBondContact O-N 3.46Å; I147-T150 VanDerWaalsContact O-N 3.1Å; P148-T150 PolarHBondContact O-N 2.88Å; T150-F153 WeakPolarHBondContact O-CB 3.35Å; T150-F153 PolarHBondContact O-N 3.2Å; T150-L154 HydrophobicContact CG2-CD1 4.37Å; T150-L154 WeakPolarHBondContact O-CG 3.37Å; T150-L154 PolarHBondContact O-N 2.9Å
151L98.4Very high95.6Very high14 Ų1443.8 Ų43.87%0.07323%0.226CC..Hα-helixtrans-66.3-43176.8-69.1177.5000111.8I147 P148 F153 L154 E155 A161 F170 V180 P183I147-L151 HydrophobicContact CG2-CD1 4.32Å; I147-L151 PolarHBondContact O-N 2.82Å; P148-L151 PolarHBondContact O-N 2.93Å; P148-L151 VanDerWaalsContact O-N 3.15Å; L151-F153 VanDerWaalsContact C-N 3.28Å; L151-F153 PolarHBondContact O-N 3.49Å; L151-L154 HydrophobicContact CD2-CD1 4.35Å; L151-L154 PolarHBondContact O-N 3.47Å; L151-L154 VanDerWaalsContact O-N 3.13Å; L151-E155 PolarHBondContact O-N 3.36Å; L151-A161 HydrophobicContact CD2-CB 3.88Å; L151-F170 HydrophobicContact CD1-CB 4.28Å; L151-F170 HydrophobicContact CD1-CD1 4.12Å; L151-F170 HydrophobicContact CD1-CD2 4.34Å; L151-F170 HydrophobicContact CD1-CG 3.98Å; L151-F170 HydrophobicContact CD2-CD1 4.39Å; L151-F170 HydrophobicContact CD2-CD2 4.08Å; L151-F170 HydrophobicContact CD2-CE1 4.11Å; L151-F170 HydrophobicContact CD2-CE2 3.79Å; L151-F170 HydrophobicContact CD2-CG 4.37Å; L151-F170 HydrophobicContact CD2-CZ 3.81Å; L151-V180 HydrophobicContact CD1-CG1 3.7Å; L151-P183 HydrophobicContact CD2-CG 4.41Å
152E98.1Very high95.7Very high117 Ų11743.8 Ų43.855%0.54723%0.226SC..Hα-helixtrans-58.2-39.7173-69.1-65.9156.200112.4P148 T156P148-E152 WeakPolarHBondContact O-CG 3.4Å; P148-E152 PolarHBondContact O-N 3.39Å; E152-T156 WeakPolarHBondContact O-CB 3.36Å; E152-T156 PolarHBondContact O-N 2.99Å; E152-T156 PolarHBondContact O-OG1 3.27Å
153F98.3Very high96Very high32 Ų3242.4 Ų42.414%0.1422%0.22CC..Hα-helixtrans-63.9-46.7175-170.7-75.1000111.2V112 I122 L126 I127 R149 T150 L151 E155 T156 Y157V112-F153 HydrophobicContact CG2-CB 4.29Å; I122-F153 HydrophobicContact CD1-CD2 4.36Å; I122-F153 HydrophobicContact CD1-CE2 4.05Å; I122-F153 HydrophobicContact CG2-CD2 4.48Å; I122-F153 HydrophobicContact CG2-CE2 4.13Å; I122-F153 HydrophobicContact CG2-CZ 4.4Å; L126-F153 HydrophobicContact CB-CD1 3.7Å; L126-F153 HydrophobicContact CB-CE1 3.55Å; L126-F153 HydrophobicContact CB-CZ 4.41Å; L126-F153 HydrophobicContact CD1-CB 4.15Å; L126-F153 HydrophobicContact CD1-CD1 3.61Å; L126-F153 HydrophobicContact CD1-CD2 4.43Å; L126-F153 HydrophobicContact CD1-CE1 4.11Å; L126-F153 HydrophobicContact CD1-CG 3.8Å; L126-F153 HydrophobicContact CG-CD1 4.26Å; L126-F153 HydrophobicContact CG-CE1 4.5Å; I127-F153 HydrophobicContact CD1-CE1 4.27Å; I127-F153 HydrophobicContact CD1-CZ 3.79Å; R149-F153 WeakPolarHBondContact O-CB 3.26Å; R149-F153 PolarHBondContact O-N 3.46Å; T150-F153 WeakPolarHBondContact O-CB 3.35Å; T150-F153 PolarHBondContact O-N 3.2Å; L151-F153 VanDerWaalsContact C-N 3.28Å; L151-F153 PolarHBondContact O-N 3.49Å; F153-E155 VanDerWaalsContact C-N 3.33Å; F153-E155 PolarHBondContact O-N 2.82Å; F153-T156 PolarHBondContact O-N 3.1Å; F153-Y157 AromaticContact CD1-CD2 3.74Å; F153-Y157 HydrophobicContact CD1-CD2 3.74Å; F153-Y157 HydrophobicContact CD1-CE2 4.18Å; F153-Y157 HydrophobicContact CD2-CE2 4.28Å; F153-Y157 AromaticContact CE1-CD2 3.39Å; F153-Y157 HydrophobicContact CE1-CD2 3.39Å; F153-Y157 AromaticContact CE1-CE2 3.58Å; F153-Y157 HydrophobicContact CE1-CE2 3.58Å; F153-Y157 HydrophobicContact CE1-CG 4.05Å; F153-Y157 HydrophobicContact CE2-CD2 4.25Å; F153-Y157 AromaticContact CE2-CE2 3.7Å; F153-Y157 HydrophobicContact CE2-CE2 3.7Å; F153-Y157 HydrophobicContact CG-CD2 4.3Å; F153-Y157 AromaticContact CZ-CD2 3.68Å; F153-Y157 HydrophobicContact CZ-CD2 3.68Å; F153-Y157 AromaticContact CZ-CE2 3.3Å; F153-Y157 HydrophobicContact CZ-CE2 3.3Å; F153-Y157 AromaticContact CZ-CZ 3.91Å; F153-Y157 WeakPolarHBondContact O-CD2 3.42Å; F153-Y157 PolarHBondContact O-N 3.31Å; F153-Y157 VanDerWaalsContact O-N 3.12Å
154L98.4Very high96.7Very high1 Ų143.3 Ų43.31%0.00522%0.224CC..Hα-helixtrans-61.7-42.4178.9-70170.9000111.4L126 L129 T150 L151 Y157 A158 V159 A161 L209L126-L154 HydrophobicContact CD2-CD2 3.82Å; L126-L154 HydrophobicContact CD2-CG 4.19Å; L129-L154 HydrophobicContact CD1-CD2 4.05Å; T150-L154 HydrophobicContact CG2-CD1 4.37Å; T150-L154 WeakPolarHBondContact O-CG 3.37Å; T150-L154 PolarHBondContact O-N 2.9Å; L151-L154 HydrophobicContact CD2-CD1 4.35Å; L151-L154 PolarHBondContact O-N 3.47Å; L151-L154 VanDerWaalsContact O-N 3.13Å; L154-Y157 CarbonylContact O-C 3.59Å; L154-Y157 PolarHBondContact O-N 3.17Å; L154-A158 PolarHBondContact O-N 3.22Å; L154-V159 HydrophobicContact CB-CB 4.12Å; L154-V159 HydrophobicContact CD2-CB 3.74Å; L154-V159 HydrophobicContact CD2-CG1 3.76Å; L154-V159 HydrophobicContact CD2-CG2 4.09Å; L154-V159 PolarHBondContact O-N 3.33Å; L154-A161 HydrophobicContact CD1-CB 4.34Å; L154-L209 HydrophobicContact CD1-CD2 3.6Å
155E98Very high97Very high137 Ų13743.4 Ų43.464%0.6423%0.228SC*.Hα-helixtrans-59-50.8174.6-177.6176.9153.700111.6L151 F153 Y157 A158L151-E155 PolarHBondContact O-N 3.36Å; F153-E155 VanDerWaalsContact C-N 3.33Å; F153-E155 PolarHBondContact O-N 2.82Å; E155-Y157 PolarHBondContact O-N 2.98Å; E155-Y157 VanDerWaalsContact O-N 3.16Å; E155-A158 PolarHBondContact O-N 2.87Å
156T98Very high96.9Very high109 Ų10947.8 Ų47.867%0.66925%0.251SS*.Hα-helixtrans-55.5-36.1179-61.60000112.2E152 F153E152-T156 WeakPolarHBondContact O-CB 3.36Å; E152-T156 PolarHBondContact O-N 2.99Å; E152-T156 PolarHBondContact O-OG1 3.27Å; F153-T156 PolarHBondContact O-N 3.1Å
157Y97.2Very high96.7Very high110 Ų11053.4 Ų53.443%0.43128%0.281SS..THydrogen-bonded Turntrans-94.815.4-180-79.3-91.9000113.9F153 L154 E155 V159F153-Y157 AromaticContact CD1-CD2 3.74Å; F153-Y157 HydrophobicContact CD1-CD2 3.74Å; F153-Y157 HydrophobicContact CD1-CE2 4.18Å; F153-Y157 HydrophobicContact CD2-CE2 4.28Å; F153-Y157 AromaticContact CE1-CD2 3.39Å; F153-Y157 HydrophobicContact CE1-CD2 3.39Å; F153-Y157 AromaticContact CE1-CE2 3.58Å; F153-Y157 HydrophobicContact CE1-CE2 3.58Å; F153-Y157 HydrophobicContact CE1-CG 4.05Å; F153-Y157 HydrophobicContact CE2-CD2 4.25Å; F153-Y157 AromaticContact CE2-CE2 3.7Å; F153-Y157 HydrophobicContact CE2-CE2 3.7Å; F153-Y157 HydrophobicContact CG-CD2 4.3Å; F153-Y157 AromaticContact CZ-CD2 3.68Å; F153-Y157 HydrophobicContact CZ-CD2 3.68Å; F153-Y157 AromaticContact CZ-CE2 3.3Å; F153-Y157 HydrophobicContact CZ-CE2 3.3Å; F153-Y157 AromaticContact CZ-CZ 3.91Å; F153-Y157 WeakPolarHBondContact O-CD2 3.42Å; F153-Y157 PolarHBondContact O-N 3.31Å; F153-Y157 VanDerWaalsContact O-N 3.12Å; L154-Y157 CarbonylContact O-C 3.59Å; L154-Y157 PolarHBondContact O-N 3.17Å; E155-Y157 PolarHBondContact O-N 2.98Å; E155-Y157 VanDerWaalsContact O-N 3.16Å; Y157-V159 PolarHBondContact O-N 3.44Å
158A96.6Very high96.4Very high68 Ų6855.9 Ų55.956%0.56229%0.292SS*.THydrogen-bonded Turntrans53.836.2178.700000113.5L154 E155 P160 S206L154-A158 PolarHBondContact O-N 3.22Å; E155-A158 PolarHBondContact O-N 2.87Å; A158-P160 WeakPolarHBondContact O-CD 3.41Å; A158-S206 VanDerWaalsContact O-CB 3.28Å; A158-S206 WeakPolarHBondContact O-CB 3.5Å; A158-S206 PolarHBondContact O-OG 2.95Å
159V98.4Very high96.3Very high5 Ų554.3 Ų54.33%0.0328%0.282CS..  trans-94.3111171.3-176.10000108.4L129 L154 Y157 A161L129-V159 HydrophobicContact CB-CG1 4.04Å; L129-V159 HydrophobicContact CB-CG2 4.14Å; L129-V159 HydrophobicContact CD2-CG1 4.31Å; L154-V159 HydrophobicContact CB-CB 4.12Å; L154-V159 HydrophobicContact CD2-CB 3.74Å; L154-V159 HydrophobicContact CD2-CG1 3.76Å; L154-V159 HydrophobicContact CD2-CG2 4.09Å; L154-V159 PolarHBondContact O-N 3.33Å; Y157-V159 PolarHBondContact O-N 3.44Å; V159-A161 PolarHBondContact O-N 2.86Å
160P98.1Very high96.3Very high24 Ų2448.2 Ų48.216%0.15626%0.259CS..  trans-64.1127175.4-19.233000110.5A158 L184 F195 G207 L209A158-P160 WeakPolarHBondContact O-CD 3.41Å; P160-L184 HydrophobicContact CB-CD1 4.47Å; P160-F195 HydrophobicContact CB-CE1 3.82Å; P160-F195 HydrophobicContact CB-CZ 3.67Å; P160-F195 HydrophobicContact CG-CE1 3.98Å; P160-F195 HydrophobicContact CG-CZ 3.79Å; P160-G207 WeakPolarHBondContact CD-O 3.17Å; P160-L209 PolarHBondContact O-N 2.99Å
161A98.3Very high96.2Very high6 Ų648.2 Ų48.25%0.0526%0.259CS..EExtended strand (participates in β ladder)trans-108.6116.5169.400000109L151 L154 V159 F170 P183 L184 L209L151-A161 HydrophobicContact CD2-CB 3.88Å; L154-A161 HydrophobicContact CD1-CB 4.34Å; V159-A161 PolarHBondContact O-N 2.86Å; A161-F170 HydrophobicContact CB-CE2 4.33Å; A161-P183 HydrophobicContact CB-CG 4.3Å; A161-L184 PolarHBondContact O-N 2.96Å; A161-L209 HydrophobicContact CB-CB 4.38Å; A161-L209 HydrophobicContact CB-CD2 4.27Å
162L97Very high96Very high0 Ų047.6 Ų47.60%026%0.256CS..EExtended strand (participates in β ladder)trans-123.4149.8-1776786.3000111L184 F186 I192 F195 V208 L209 V210 A211L162-L184 CarbonylContact C-O 3.57Å; L162-L184 WeakPolarHBondContact CA-O 3.39Å; L162-L184 HydrophobicContact CB-CB 3.98Å; L162-F186 HydrophobicContact CB-CD2 4.3Å; L162-F186 HydrophobicContact CD1-CD2 4.33Å; L162-F186 HydrophobicContact CD2-CD2 3.95Å; L162-F186 HydrophobicContact CD2-CE2 3.99Å; L162-F186 HydrophobicContact CG-CD2 4.43Å; L162-I192 HydrophobicContact CD1-CD1 3.77Å; L162-I192 HydrophobicContact CD1-CG1 3.82Å; L162-I192 HydrophobicContact CD1-CG2 4.19Å; L162-I192 HydrophobicContact CD2-CG2 4.43Å; L162-F195 HydrophobicContact CD2-CD1 3.96Å; L162-F195 HydrophobicContact CD2-CE1 4.27Å; L162-F195 HydrophobicContact CD2-CG 4.49Å; L162-V208 HydrophobicContact CD2-CG1 3.48Å; L162-V208 VanDerWaalsContact CD2-CG1 3.48Å; L162-V208 HydrophobicContact CG-CG1 4.26Å; L162-L209 PolarHBondContact N-O 3.24Å; L162-V210 HydrophobicContact CD1-CB 4.03Å; L162-V210 HydrophobicContact CD1-CG1 3.74Å; L162-V210 HydrophobicContact CD1-CG2 3.91Å; L162-V210 HydrophobicContact CD2-CG2 4.25Å; L162-V210 HydrophobicContact CG-CG2 4.18Å; L162-A211 WeakPolarHBondContact O-CB 3.47Å; L162-A211 PolarHBondContact O-N 2.77Å
163T98.4Very high95.7Very high0 Ų042.3 Ų42.30%023%0.231CC..EExtended strand (participates in β ladder)trans-113.8138174-59.10000110.7Q168 S182 L184 C185 F186 A211 P213T163-Q168 HydrophobicContact CG2-CB 3.59Å; T163-Q168 HydrophobicContact CG2-CG 4.4Å; T163-S182 VanDerWaalsContact CB-OG 3.23Å; T163-S182 WeakPolarHBondContact CB-OG 3.34Å; T163-S182 PolarHBondContact N-OG 3.4Å; T163-S182 WeakPolarHBondContact OG1-CB 3.15Å; T163-S182 PolarHBondContact OG1-OG 2.95Å; T163-L184 PolarHBondContact N-O 3.23Å; T163-C185 WeakPolarHBondContact O-CA 3.32Å; T163-F186 PolarHBondContact O-N 2.88Å; T163-F186 VanDerWaalsContact O-N 3.08Å; T163-A211 CarbonylContact C-O 3.49Å; T163-A211 VanDerWaalsContact CA-O 3.31Å; T163-A211 WeakPolarHBondContact CA-O 3.28Å; T163-P213 HydrophobicContact CG2-CG 3.87Å
164L98Very high95.4Very high27 Ų2741.3 Ų41.314%0.14123%0.227CC..EExtended strand (participates in β ladder)trans-75.2122.3172.6176.363.9000110.4I192 A211 V212 P213 V276L164-I192 HydrophobicContact CB-CD1 4.1Å; L164-I192 HydrophobicContact CD1-CD1 3.76Å; L164-I192 HydrophobicContact CG-CD1 4.47Å; L164-A211 PolarHBondContact N-O 3.38Å; L164-V212 HydrophobicContact CD2-CG1 4.48Å; L164-P213 WeakPolarHBondContact O-CD 3.4Å; L164-P213 WeakPolarHBondContact O-CG 3.14Å; L164-V276 HydrophobicContact CD2-CG1 3.92Å; L164-V276 HydrophobicContact CD2-CG2 3.9Å
165G92.1Very high95.1Very high16 Ų1643 Ų4317%0.16523%0.234CC..SBendtrans110.8144.2-176.400000112.2C185 F186G165-C185 WeakPolarHBondContact O-CB 3.47Å; G165-F186 WeakPolarHBondContact CA-O 3.38Å; G165-F186 PolarHBondContact N-O 3.16Å
166I89.6Confident94.8Very high96 Ų9640 Ų4049%0.49222%0.219SC..THydrogen-bonded Turntrans-70.4137.6178.7-60.3177.3000110.2Q168 E187I166-Q168 PolarHBondContact O-N 3.49Å; I166-Q168 VanDerWaalsContact O-N 3.1Å; I166-E187 HydrophobicContact CD1-CB 4Å; I166-E187 HydrophobicContact CD1-CG 3.81Å; I166-E187 HydrophobicContact CG1-CB 3.83Å; I166-E187 HydrophobicContact CG1-CG 4Å
167N89.4Confident94.6Very high148 Ų14839.5 Ų39.579%0.79121%0.212SC*.THydrogen-bonded Turntrans51.332.4176.4-59.3-25.1000113.5
168Q89.6Confident94.4Very high67 Ų6735.9 Ų35.931%0.31320%0.203SC..PPolyproline II helixtrans-79.8138.4176-68.9-64.7-51.500110.1T163 I166 S182 P213T163-Q168 HydrophobicContact CG2-CB 3.59Å; T163-Q168 HydrophobicContact CG2-CG 4.4Å; I166-Q168 PolarHBondContact O-N 3.49Å; I166-Q168 VanDerWaalsContact O-N 3.1Å; Q168-S182 WeakPolarHBondContact O-CB 3.27Å; Q168-P213 HydrophobicContact CG-CG 4.4Å
169P94.9Very high94.2Very high35 Ų3535.9 Ų35.923%0.22721%0.21CC..BIsolated β-bridgetrans-64.5158.9165.229.6-33.2000109.8D177P169-D177 HydrophobicContact CB-CB 4.19Å; P169-D177 WeakPolarHBondContact CB-OD1 3.22Å; P169-D177 HydrophobicContact CG-CB 3.64Å
170F97.5Very high94.1Very high0 Ų037.2 Ų37.20%022%0.218CC..PPolyproline II helixtrans-68.1127.8174.9-166.6-96.3000109.5V141 I147 L151 A161 S178 V180 L209 A211V141-F170 HydrophobicContact CB-CE1 4.48Å; V141-F170 HydrophobicContact CG2-CE1 3.98Å; V141-F170 HydrophobicContact CG2-CZ 4.36Å; I147-F170 HydrophobicContact CG2-CD1 3.81Å; I147-F170 HydrophobicContact CG2-CE1 4.13Å; L151-F170 HydrophobicContact CD1-CB 4.28Å; L151-F170 HydrophobicContact CD1-CD1 4.12Å; L151-F170 HydrophobicContact CD1-CD2 4.34Å; L151-F170 HydrophobicContact CD1-CG 3.98Å; L151-F170 HydrophobicContact CD2-CD1 4.39Å; L151-F170 HydrophobicContact CD2-CD2 4.08Å; L151-F170 HydrophobicContact CD2-CE1 4.11Å; L151-F170 HydrophobicContact CD2-CE2 3.79Å; L151-F170 HydrophobicContact CD2-CG 4.37Å; L151-F170 HydrophobicContact CD2-CZ 3.81Å; A161-F170 HydrophobicContact CB-CE2 4.33Å; F170-S178 VanDerWaalsContact O-CB 3.23Å; F170-S178 WeakPolarHBondContact O-CB 3.49Å; F170-S178 PolarHBondContact O-N 3.44Å; F170-S178 VanDerWaalsContact O-N 3.1Å; F170-S178 PolarHBondContact O-OG 3.21Å; F170-V180 PolarHBondContact N-O 2.88Å; F170-L209 HydrophobicContact CE2-CD2 4.44Å; F170-L209 HydrophobicContact CZ-CD2 3.98Å; F170-A211 HydrophobicContact CD2-CB 4.19Å; F170-A211 HydrophobicContact CE2-CB 3.62Å; F170-A211 HydrophobicContact CZ-CB 4.01Å
171P96.5Very high94Very high0 Ų044.2 Ų44.20%025%0.248CC..PPolyproline II helixtrans-75.8146.8-177.730.3-35000112.1F175 K176 A211P171-F175 CarbonylContact C-O 3.54Å; P171-F175 WeakPolarHBondContact CA-O 3.46Å; P171-K176 WeakPolarHBondContact CA-O 3.46Å; P171-A211 HydrophobicContact CG-CB 3.69Å
172G93.5Very high93.9Very high1 Ų144.4 Ų44.41%0.0125%0.249CC..BIsolated β-bridgetrans-111.266.8177.900000111.7F174 F175G172-F174 VanDerWaalsContact C-N 3.27Å; G172-F174 PolarHBondContact O-N 3.45Å; G172-F175 PolarHBondContact N-O 3.27Å; G172-F175 WeakPolarHBondContact O-CD2 3.11Å; G172-F175 PolarHBondContact O-N 2.9Å; G172-F175 VanDerWaalsContact O-N 3.08Å
173F92.8Very high93.9Very high7 Ų747.9 Ų47.93%0.03127%0.272CS..THydrogen-bonded Turntrans54-71.6176.3-169.7-120000115.2G107 A139 A143 L251 N266 L269G107-F173 WeakPolarHBondContact O-CD2 3.13Å; G107-F173 WeakPolarHBondContact O-CE2 3.42Å; A139-F173 HydrophobicContact CB-CD2 4.3Å; A139-F173 WeakPolarHBondContact O-CA 3.45Å; A139-F173 PolarHBondContact O-N 2.77Å; A143-F173 HydrophobicContact CB-CB 4.49Å; F173-L251 HydrophobicContact CE1-CD2 4.21Å; F173-N266 WeakPolarHBondContact CZ-OD1 3.47Å; F173-L269 HydrophobicContact CD2-CD1 4.45Å; F173-L269 HydrophobicContact CD2-CD2 4.34Å; F173-L269 HydrophobicContact CE2-CD1 3.93Å; F173-L269 HydrophobicContact CE2-CD2 4.16Å; F173-L269 HydrophobicContact CZ-CD2 4.39Å; F173-L269 WeakPolarHBondContact O-CD2 3.46Å
174F91.1Very high93.8Very high10 Ų1051.5 Ų51.54%0.04429%0.291CS..THydrogen-bonded Turntrans-82.6-17.6172.9-64.7-64.5000113.7A143 G172 V225 I229 L251 A262 T265 N266A143-F174 HydrophobicContact CB-CD2 4.37Å; G172-F174 VanDerWaalsContact C-N 3.27Å; G172-F174 PolarHBondContact O-N 3.45Å; F174-V225 HydrophobicContact CB-CG1 4.08Å; F174-V225 HydrophobicContact CD1-CG1 4.5Å; F174-V225 HydrophobicContact CD2-CG1 4.01Å; F174-V225 HydrophobicContact CG-CG1 3.95Å; F174-I229 HydrophobicContact CD2-CD1 3.91Å; F174-I229 HydrophobicContact CE2-CD1 4.39Å; F174-L251 HydrophobicContact CZ-CD2 4.48Å; F174-A262 HydrophobicContact CE1-CB 4.08Å; F174-A262 WeakPolarHBondContact CE1-O 3.48Å; F174-A262 HydrophobicContact CZ-CB 4.03Å; F174-T265 HydrophobicContact CD1-CG2 3.85Å; F174-N266 HydrophobicContact CE1-CB 4.42Å
175F92.5Very high93.7Very high36 Ų3652.1 Ų52.116%0.15830%0.297CS..BIsolated β-bridgetrans-118.6136.3-170.5-49.4-69.6000111.4A143 P171 G172 D177 V225 K226 I229A143-F175 HydrophobicContact CB-CD2 4.36Å; A143-F175 HydrophobicContact CB-CE2 4.16Å; P171-F175 CarbonylContact C-O 3.54Å; P171-F175 WeakPolarHBondContact CA-O 3.46Å; G172-F175 PolarHBondContact N-O 3.27Å; G172-F175 WeakPolarHBondContact O-CD2 3.11Å; G172-F175 PolarHBondContact O-N 2.9Å; G172-F175 VanDerWaalsContact O-N 3.08Å; F175-D177 VanDerWaalsContact C-N 3.25Å; F175-D177 PolarHBondContact O-N 3.17Å; F175-V225 HydrophobicContact CE1-CG1 4.41Å; F175-V225 HydrophobicContact CZ-CB 4.41Å; F175-V225 HydrophobicContact CZ-CG1 3.98Å; F175-K226 HydrophobicContact CE1-CB 4.36Å; F175-K226 HydrophobicContact CZ-CB 3.94Å; F175-I229 HydrophobicContact CE2-CD1 3.78Å; F175-I229 HydrophobicContact CZ-CD1 3.97Å
176K92.1Very high94Very high76 Ų7653.6 Ų53.633%0.3330%0.299SS..SBendtrans-61.8-35.6171.7-74-174.4175179.80112.5P171 P213 P214 E216P171-K176 WeakPolarHBondContact CA-O 3.46Å; K176-P213 HydrophobicContact CG-CB 4.2Å; K176-P214 WeakPolarHBondContact CE-O 3.33Å; K176-P214 HydrophobicContact CG-CG 4.37Å; K176-P214 VanDerWaalsContact CG-O 3.27Å; K176-P214 WeakPolarHBondContact CG-O 3.35Å; K176-E216 HydrophobicContact CD-CG 4.45Å; K176-E216 IonicContact NZ-OE2 3.8Å; K176-E216 PolarHBondContact NZ-OE2 3.35Å
177D93.4Very high94.1Very high97 Ų9754.4 Ų54.452%0.51930%0.301SS..  trans-119.6116.6179.8-174.7-1.1000109.4P169 F175 G179P169-D177 HydrophobicContact CB-CB 4.19Å; P169-D177 WeakPolarHBondContact CB-OD1 3.22Å; P169-D177 HydrophobicContact CG-CB 3.64Å; F175-D177 VanDerWaalsContact C-N 3.25Å; F175-D177 PolarHBondContact O-N 3.17Å; D177-G179 VanDerWaalsContact C-N 3.32Å; D177-G179 WeakPolarHBondContact OD1-CA 3.41Å; D177-G179 PolarHBondContact OD1-N 3.27Å
178S93.1Very high94.3Very high34 Ų3449.7 Ų49.724%0.23828%0.275CS..  trans-85.3-4.8174.263.80000113.8F170 V180F170-S178 VanDerWaalsContact O-CB 3.23Å; F170-S178 WeakPolarHBondContact O-CB 3.49Å; F170-S178 PolarHBondContact O-N 3.44Å; F170-S178 VanDerWaalsContact O-N 3.1Å; F170-S178 PolarHBondContact O-OG 3.21Å; S178-V180 VanDerWaalsContact C-N 3.34Å; S178-V180 PolarHBondContact OG-N 3.13Å
179G92.6Very high94.7Very high69 Ų6948.8 Ų48.871%0.71127%0.271SS*.SBendtrans82.511.2-167.200000113.4D177D177-G179 VanDerWaalsContact C-N 3.32Å; D177-G179 WeakPolarHBondContact OD1-CA 3.41Å; D177-G179 PolarHBondContact OD1-N 3.27Å
180V96.1Very high94.6Very high32 Ų3251.7 Ų51.719%0.19428%0.282CS..SBendtrans-122.7135.5-178.6-168.70000109.7I147 P148 L151 F170 S178I147-V180 HydrophobicContact CG2-CG2 4.23Å; P148-V180 HydrophobicContact CG-CG2 3.81Å; L151-V180 HydrophobicContact CD1-CG1 3.7Å; F170-V180 PolarHBondContact N-O 2.88Å; S178-V180 VanDerWaalsContact C-N 3.34Å; S178-V180 PolarHBondContact OG-N 3.13Å
181E95.7Very high94.6Very high171 Ų17155.1 Ų55.180%0.79930%0.298SS*.BIsolated β-bridgetrans-66.7141.9175.2-172.9172.7-172.600110.8
182S96.7Very high94.6Very high10 Ų1055.1 Ų55.17%0.0730%0.298CS..  trans-78.2129.1175.4-173.90000110.5T163 Q168 L184T163-S182 VanDerWaalsContact CB-OG 3.23Å; T163-S182 WeakPolarHBondContact CB-OG 3.34Å; T163-S182 PolarHBondContact N-OG 3.4Å; T163-S182 WeakPolarHBondContact OG1-CB 3.15Å; T163-S182 PolarHBondContact OG1-OG 2.95Å; Q168-S182 WeakPolarHBondContact O-CB 3.27Å; S182-L184 VanDerWaalsContact C-N 3.27Å; S182-L184 PolarHBondContact O-N 3.37Å; S182-L184 PolarHBondContact OG-O 3.24Å
183P96.2Very high94.8Very high73 Ų7355.1 Ų55.147%0.47430%0.298SS..SBendtrans-60.1-36.2-179.6-2534.5000113.6L151 A161L151-P183 HydrophobicContact CD2-CG 4.41Å; A161-P183 HydrophobicContact CB-CG 4.3Å
184L96.3Very high94.8Very high76 Ų7655.4 Ų55.440%0.39830%0.302SS..EExtended strand (participates in β ladder)trans-138.3149.5175.2-67.8172.1000110.2P160 A161 L162 T163 S182P160-L184 HydrophobicContact CB-CD1 4.47Å; A161-L184 PolarHBondContact O-N 2.96Å; L162-L184 CarbonylContact C-O 3.57Å; L162-L184 WeakPolarHBondContact CA-O 3.39Å; L162-L184 HydrophobicContact CB-CB 3.98Å; T163-L184 PolarHBondContact N-O 3.23Å; S182-L184 VanDerWaalsContact C-N 3.27Å; S182-L184 PolarHBondContact O-N 3.37Å; S182-L184 PolarHBondContact OG-O 3.24Å
185C97.1Very high95.1Very high41 Ų4157.2 Ų57.228%0.27731%0.31SS..EExtended strand (participates in β ladder)trans-133137174.5-71.70000109.8T163 G165T163-C185 WeakPolarHBondContact O-CA 3.32Å; G165-C185 WeakPolarHBondContact O-CB 3.47Å
186F96.8Very high95.2Very high46 Ų4655.7 Ų55.720%0.20230%0.303CS..EExtended strand (participates in β ladder)trans-124.5142.1170.5-74.7-62000110L162 T163 G165 N188 Q191 I192 F195L162-F186 HydrophobicContact CB-CD2 4.3Å; L162-F186 HydrophobicContact CD1-CD2 4.33Å; L162-F186 HydrophobicContact CD2-CD2 3.95Å; L162-F186 HydrophobicContact CD2-CE2 3.99Å; L162-F186 HydrophobicContact CG-CD2 4.43Å; T163-F186 PolarHBondContact O-N 2.88Å; T163-F186 VanDerWaalsContact O-N 3.08Å; G165-F186 WeakPolarHBondContact CA-O 3.38Å; G165-F186 PolarHBondContact N-O 3.16Å; F186-N188 VanDerWaalsContact C-N 3.35Å; F186-N188 PolarHBondContact O-N 2.93Å; F186-Q191 HydrophobicContact CB-CB 3.98Å; F186-Q191 HydrophobicContact CD1-CB 3.76Å; F186-Q191 HydrophobicContact CG-CB 4.05Å; F186-I192 HydrophobicContact CB-CD1 4.44Å; F186-I192 HydrophobicContact CB-CG1 3.72Å; F186-I192 HydrophobicContact CD2-CG1 4.09Å; F186-I192 HydrophobicContact CG-CG1 4.25Å; F186-F195 HydrophobicContact CE2-CB 3.81Å; F186-F195 HydrophobicContact CE2-CD1 4.5Å; F186-F195 AromaticContact CE2-CD2 3.62Å; F186-F195 HydrophobicContact CE2-CD2 3.62Å; F186-F195 HydrophobicContact CE2-CE2 4.31Å; F186-F195 AromaticContact CE2-CG 3.71Å; F186-F195 HydrophobicContact CE2-CG 3.71Å; F186-F195 HydrophobicContact CZ-CB 4.03Å; F186-F195 AromaticContact CZ-CD2 3.54Å; F186-F195 HydrophobicContact CZ-CD2 3.54Å; F186-F195 HydrophobicContact CZ-CE2 4.3Å; F186-F195 HydrophobicContact CZ-CG 4.02Å
187E92.5Very high95.3Very high113 Ų11352.1 Ų52.153%0.52829%0.288SS..SBendtrans-66.3-36.9-172.5-175.6176.4-171.700112.8I166I166-E187 HydrophobicContact CD1-CB 4Å; I166-E187 HydrophobicContact CD1-CG 3.81Å; I166-E187 HydrophobicContact CG1-CB 3.83Å; I166-E187 HydrophobicContact CG1-CG 4Å
188N94.3Very high95.2Very high49 Ų4949.6 Ų49.626%0.26227%0.274SS..SBendtrans-152.1170.1-170.35754.5000112.7F186 E190 Q191 I192F186-N188 VanDerWaalsContact C-N 3.35Å; F186-N188 PolarHBondContact O-N 2.93Å; N188-E190 PolarHBondContact O-N 2.73Å; N188-E190 VanDerWaalsContact OD1-CB 3.26Å; N188-E190 WeakPolarHBondContact OD1-CB 3.48Å; N188-E190 PolarHBondContact OD1-N 3.38Å; N188-Q191 PolarHBondContact O-N 3.26Å; N188-Q191 PolarHBondContact OD1-N 3.27Å; N188-I192 PolarHBondContact O-N 2.91Å
189E96.2Very high95.2Very high48 Ų4849 Ų4922%0.22427%0.267CS..Hα-helixtrans-64.5-23.1-179.1-59.299.1133.300113.6I192 A193 V276 N279 I280E189-I192 PolarHBondContact O-N 3.23Å; E189-A193 WeakPolarHBondContact O-CB 3.45Å; E189-A193 PolarHBondContact O-N 3.26Å; E189-V276 HydrophobicContact CG-CG1 4.05Å; E189-N279 HydrophobicContact CB-CB 4.12Å; E189-N279 HydrophobicContact CG-CB 3.96Å; E189-N279 PolarHBondContact OE1-ND2 2.74Å; E189-I280 HydrophobicContact CB-CG1 3.8Å; E189-I280 HydrophobicContact CG-CG1 4.04Å
190E94.7Very high95Very high96 Ų9649.2 Ų49.245%0.44925%0.246SC..Hα-helixtrans-67.2-47.8176.6-167.7172.8154.200111.4N188 I192 A193 A194 R283N188-E190 PolarHBondContact O-N 2.73Å; N188-E190 VanDerWaalsContact OD1-CB 3.26Å; N188-E190 WeakPolarHBondContact OD1-CB 3.48Å; N188-E190 PolarHBondContact OD1-N 3.38Å; E190-I192 VanDerWaalsContact C-N 3.29Å; E190-I192 PolarHBondContact O-N 3.34Å; E190-A193 PolarHBondContact O-N 2.99Å; E190-A194 VanDerWaalsContact O-CB 3.32Å; E190-A194 WeakPolarHBondContact O-CB 3.3Å; E190-A194 PolarHBondContact O-N 3.25Å; E190-R283 VanDerWaalsContact CB-NH1 3.32Å; E190-R283 VanDerWaalsContact CD-NH1 3.28Å; E190-R283 VanDerWaalsContact CG-NH1 3.28Å; E190-R283 IonicContact OE2-CZ 3.62Å; E190-R283 IonicContact OE2-NH1 3.26Å; E190-R283 PolarHBondContact OE2-NH1 3.42Å
191Q95.7Very high94.5Very high73 Ų7351.6 Ų51.634%0.34125%0.254SS..Hα-helixtrans-63.1-37176-71.4177.7-6.900111.6F186 N188 A194 F195F186-Q191 HydrophobicContact CB-CB 3.98Å; F186-Q191 HydrophobicContact CD1-CB 3.76Å; F186-Q191 HydrophobicContact CG-CB 4.05Å; N188-Q191 PolarHBondContact O-N 3.26Å; N188-Q191 PolarHBondContact OD1-N 3.27Å; Q191-A194 WeakPolarHBondContact O-CB 3.46Å; Q191-F195 WeakPolarHBondContact O-CB 3.38Å; Q191-F195 PolarHBondContact O-N 3.13Å
192I97.7Very high94Very high0 Ų048 Ų480%024%0.24CC..Hα-helixtrans-67.9-45.4176.8-62.8171.3000110.9L162 L164 F186 N188 E189 E190 A194 F195 I196 V210 I280L162-I192 HydrophobicContact CD1-CD1 3.77Å; L162-I192 HydrophobicContact CD1-CG1 3.82Å; L162-I192 HydrophobicContact CD1-CG2 4.19Å; L162-I192 HydrophobicContact CD2-CG2 4.43Å; L164-I192 HydrophobicContact CB-CD1 4.1Å; L164-I192 HydrophobicContact CD1-CD1 3.76Å; L164-I192 HydrophobicContact CG-CD1 4.47Å; F186-I192 HydrophobicContact CB-CD1 4.44Å; F186-I192 HydrophobicContact CB-CG1 3.72Å; F186-I192 HydrophobicContact CD2-CG1 4.09Å; F186-I192 HydrophobicContact CG-CG1 4.25Å; N188-I192 PolarHBondContact O-N 2.91Å; E189-I192 PolarHBondContact O-N 3.23Å; E190-I192 VanDerWaalsContact C-N 3.29Å; E190-I192 PolarHBondContact O-N 3.34Å; I192-A194 VanDerWaalsContact C-N 3.31Å; I192-A194 PolarHBondContact O-N 3.14Å; I192-F195 WeakPolarHBondContact O-CB 3.36Å; I192-F195 PolarHBondContact O-N 2.65Å; I192-I196 HydrophobicContact CG2-CD1 3.79Å; I192-I196 HydrophobicContact CG2-CG1 4.45Å; I192-I196 WeakPolarHBondContact O-CD1 3.48Å; I192-I196 VanDerWaalsContact O-CG1 3.29Å; I192-I196 WeakPolarHBondContact O-CG1 3.33Å; I192-I196 PolarHBondContact O-N 2.8Å; I192-V210 HydrophobicContact CD1-CG1 4.05Å; I192-V210 HydrophobicContact CG2-CG1 4.15Å; I192-V210 HydrophobicContact CG2-CG2 3.78Å; I192-I280 HydrophobicContact CB-CD1 4.31Å; I192-I280 HydrophobicContact CB-CG1 4.42Å; I192-I280 HydrophobicContact CD1-CD1 4.39Å; I192-I280 HydrophobicContact CG2-CD1 3.73Å; I192-I280 HydrophobicContact CG2-CG1 4.18Å; I192-I280 HydrophobicContact CG2-CG2 4.37Å
193A96.6Very high93.4Very high0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-61.8-40.7176.500000112E189 E190 I196 S197 I280 R283 L284E189-A193 WeakPolarHBondContact O-CB 3.45Å; E189-A193 PolarHBondContact O-N 3.26Å; E190-A193 PolarHBondContact O-N 2.99Å; A193-I196 PolarHBondContact O-N 3.12Å; A193-S197 WeakPolarHBondContact O-CB 3.42Å; A193-S197 PolarHBondContact O-N 3.2Å; A193-I280 HydrophobicContact CB-CG2 4.38Å; A193-R283 HydrophobicContact CB-CB 3.54Å; A193-L284 HydrophobicContact CB-CB 4.31Å
194A93.9Very high93.1Very high14 Ų1452.3 Ų52.312%0.11626%0.257CS..Hα-helixtrans-57.1-54.4169.800000111.1E190 Q191 I192 I196 S197 L198 F308E190-A194 VanDerWaalsContact O-CB 3.32Å; E190-A194 WeakPolarHBondContact O-CB 3.3Å; E190-A194 PolarHBondContact O-N 3.25Å; Q191-A194 WeakPolarHBondContact O-CB 3.46Å; I192-A194 VanDerWaalsContact C-N 3.31Å; I192-A194 PolarHBondContact O-N 3.14Å; A194-I196 VanDerWaalsContact C-N 3.32Å; A194-I196 PolarHBondContact O-N 2.83Å; A194-S197 WeakPolarHBondContact O-CB 3.33Å; A194-S197 PolarHBondContact O-N 3.12Å; A194-S197 VanDerWaalsContact O-N 3.08Å; A194-L198 PolarHBondContact O-N 2.61Å; A194-F308 VanDerWaalsContact CA-CZ 3.41Å; A194-F308 HydrophobicContact CB-CD1 3.99Å; A194-F308 HydrophobicContact CB-CD2 3.4Å; A194-F308 VanDerWaalsContact CB-CD2 3.4Å; A194-F308 HydrophobicContact CB-CE1 3.98Å; A194-F308 HydrophobicContact CB-CE2 3.38Å; A194-F308 HydrophobicContact CB-CG 3.75Å; A194-F308 HydrophobicContact CB-CZ 3.7Å; A194-F308 WeakPolarHBondContact O-CE2 3.48Å; A194-F308 WeakPolarHBondContact O-CZ 3.35Å
195F96.6Very high92.7Very high48 Ų4856.8 Ų56.821%0.21127%0.273CS..Hα-helixtrans-52.9-48177.7-178.2-88.8000112.4P160 L162 F186 Q191 I192 S197 L198 H199 V208P160-F195 HydrophobicContact CB-CE1 3.82Å; P160-F195 HydrophobicContact CB-CZ 3.67Å; P160-F195 HydrophobicContact CG-CE1 3.98Å; P160-F195 HydrophobicContact CG-CZ 3.79Å; L162-F195 HydrophobicContact CD2-CD1 3.96Å; L162-F195 HydrophobicContact CD2-CE1 4.27Å; L162-F195 HydrophobicContact CD2-CG 4.49Å; F186-F195 HydrophobicContact CE2-CB 3.81Å; F186-F195 HydrophobicContact CE2-CD1 4.5Å; F186-F195 AromaticContact CE2-CD2 3.62Å; F186-F195 HydrophobicContact CE2-CD2 3.62Å; F186-F195 HydrophobicContact CE2-CE2 4.31Å; F186-F195 AromaticContact CE2-CG 3.71Å; F186-F195 HydrophobicContact CE2-CG 3.71Å; F186-F195 HydrophobicContact CZ-CB 4.03Å; F186-F195 AromaticContact CZ-CD2 3.54Å; F186-F195 HydrophobicContact CZ-CD2 3.54Å; F186-F195 HydrophobicContact CZ-CE2 4.3Å; F186-F195 HydrophobicContact CZ-CG 4.02Å; Q191-F195 WeakPolarHBondContact O-CB 3.38Å; Q191-F195 PolarHBondContact O-N 3.13Å; I192-F195 WeakPolarHBondContact O-CB 3.36Å; I192-F195 PolarHBondContact O-N 2.65Å; F195-S197 PolarHBondContact O-N 3.2Å; F195-L198 PolarHBondContact O-N 2.85Å; F195-H199 HydrophobicContact CE1-CB 4.47Å; F195-H199 VanDerWaalsContact O-CB 3.29Å; F195-H199 WeakPolarHBondContact O-CB 3.28Å; F195-H199 PolarHBondContact O-N 3.14Å; F195-V208 HydrophobicContact CD1-CG1 4.06Å; F195-V208 HydrophobicContact CD1-CG2 4.21Å; F195-V208 HydrophobicContact CE1-CG1 3.86Å; F195-V208 HydrophobicContact CE1-CG2 3.82Å
196I95.8Very high92.7Very high3 Ų355.3 Ų55.32%0.01526%0.263CS..Hα-helixtrans-61.7-43.3178.7-65.1159000111.3A135 I192 A193 A194 R200 V208 I280 L284A135-I196 HydrophobicContact CB-CD1 3.39Å; A135-I196 HydrophobicContact CB-CG1 3.86Å; A135-I196 HydrophobicContact CB-CG2 4.29Å; I192-I196 HydrophobicContact CG2-CD1 3.79Å; I192-I196 HydrophobicContact CG2-CG1 4.45Å; I192-I196 WeakPolarHBondContact O-CD1 3.48Å; I192-I196 VanDerWaalsContact O-CG1 3.29Å; I192-I196 WeakPolarHBondContact O-CG1 3.33Å; I192-I196 PolarHBondContact O-N 2.8Å; A193-I196 PolarHBondContact O-N 3.12Å; A194-I196 VanDerWaalsContact C-N 3.32Å; A194-I196 PolarHBondContact O-N 2.83Å; I196-R200 VanDerWaalsContact O-CG 3.29Å; I196-R200 WeakPolarHBondContact O-CG 3.5Å; I196-R200 PolarHBondContact O-N 3.08Å; I196-R200 VanDerWaalsContact O-N 3.09Å; I196-V208 HydrophobicContact CG1-CB 4.46Å; I196-V208 HydrophobicContact CG1-CG2 4.44Å; I196-I280 HydrophobicContact CD1-CG2 3.58Å; I196-L284 HydrophobicContact CB-CD1 4.47Å; I196-L284 HydrophobicContact CG2-CD1 4.19Å; I196-L284 HydrophobicContact CG2-CD2 3.76Å
197S92.6Very high92.7Very high2 Ų253.1 Ų53.11%0.01425%0.253CS..Hα-helixtrans-62-45.1177.5-176.20000111.5A193 A194 F195 R200 K201A193-S197 WeakPolarHBondContact O-CB 3.42Å; A193-S197 PolarHBondContact O-N 3.2Å; A194-S197 WeakPolarHBondContact O-CB 3.33Å; A194-S197 PolarHBondContact O-N 3.12Å; A194-S197 VanDerWaalsContact O-N 3.08Å; F195-S197 PolarHBondContact O-N 3.2Å; S197-R200 PolarHBondContact O-N 3.21Å; S197-K201 WeakPolarHBondContact O-CG 3.43Å; S197-K201 PolarHBondContact O-N 2.65Å
198L91.3Very high93Very high44 Ų4447.8 Ų47.823%0.2323%0.229CC..Hα-helixtrans-67.7-43.6178.8-175.557.9000111.9A194 F195 R200 K201 L202 F306 F308A194-L198 PolarHBondContact O-N 2.61Å; F195-L198 PolarHBondContact O-N 2.85Å; L198-R200 PolarHBondContact O-N 2.95Å; L198-K201 CarbonylContact O-C 3.57Å; L198-K201 PolarHBondContact O-N 3.22Å; L198-L202 HydrophobicContact CD1-CD1 4.48Å; L198-L202 HydrophobicContact CD1-CG 4.22Å; L198-L202 HydrophobicContact CG-CD1 4.11Å; L198-L202 HydrophobicContact CG-CG 4.31Å; L198-L202 WeakPolarHBondContact O-CG 3.43Å; L198-L202 PolarHBondContact O-N 2.79Å; L198-F306 HydrophobicContact CD1-CB 4.01Å; L198-F306 HydrophobicContact CD1-CD1 3.34Å; L198-F306 HydrophobicContact CD1-CE1 4.02Å; L198-F306 HydrophobicContact CD1-CG 3.92Å; L198-F306 HydrophobicContact CD2-CB 4.33Å; L198-F308 HydrophobicContact CB-CE2 4.19Å; L198-F308 HydrophobicContact CB-CZ 3.82Å
199H92.9Very high93.2Very high20 Ų2045.5 Ų45.59%0.09322%0.216CC..Hα-helixtrans-55-40.7176-168.469000111.2F195 S204 S206F195-H199 HydrophobicContact CE1-CB 4.47Å; F195-H199 VanDerWaalsContact O-CB 3.29Å; F195-H199 WeakPolarHBondContact O-CB 3.28Å; F195-H199 PolarHBondContact O-N 3.14Å; H199-S204 WeakPolarHBondContact CE1-CB 3.45Å; H199-S204 PolarHBondContact CE1-OG 2.89Å; H199-S204 VanDerWaalsContact CE1-OG 3.27Å; H199-S204 WeakPolarHBondContact ND1-CB 3.38Å; H199-S204 PolarHBondContact ND1-OG 2.81Å; H199-S204 VanDerWaalsContact ND1-OG 3.15Å; H199-S204 VanDerWaalsContact NE2-CB 3.27Å; H199-S204 WeakPolarHBondContact NE2-CB 3.4Å; H199-S204 WeakPolarHBondContact O-CB 3.24Å; H199-S204 PolarHBondContact O-N 2.74Å; H199-S204 VanDerWaalsContact O-N 3.17Å; H199-S204 PolarHBondContact O-OG 2.78Å; H199-S206 PolarHBondContact CD2-O 2.99Å; H199-S206 PolarHBondContact CE1-OG 3.25Å; H199-S206 PolarHBondContact NE2-O 2.86Å; H199-S206 PolarHBondContact NE2-OG 2.66Å; H199-S206 VanDerWaalsContact NE2-OG 3.11Å
200R89.8Confident93.3Very high74 Ų7443.2 Ų43.228%0.27921%0.206SC..Hα-helixtrans-70.6-39.7174-68.2175.571.2-169.64.8113.1I196 S197 L198 L202 E203I196-R200 VanDerWaalsContact O-CG 3.29Å; I196-R200 WeakPolarHBondContact O-CG 3.5Å; I196-R200 PolarHBondContact O-N 3.08Å; I196-R200 VanDerWaalsContact O-N 3.09Å; S197-R200 PolarHBondContact O-N 3.21Å; L198-R200 PolarHBondContact O-N 2.95Å; R200-L202 VanDerWaalsContact C-N 3.29Å; R200-L202 PolarHBondContact O-N 2.98Å; R200-E203 PolarHBondContact O-N 2.9Å; R200-E203 VanDerWaalsContact O-N 3.08Å
201K84.8Confident93.5Very high82 Ų8238.6 Ų38.636%0.35718%0.184SC..Hα-helixtrans-65.3-31.3176.6-76177.8-178.3-179.70112.8S197 L198 E203 P290S197-K201 WeakPolarHBondContact O-CG 3.43Å; S197-K201 PolarHBondContact O-N 2.65Å; L198-K201 CarbonylContact O-C 3.57Å; L198-K201 PolarHBondContact O-N 3.22Å; K201-E203 PolarHBondContact O-N 3.49Å; K201-P290 HydrophobicContact CG-CB 3.93Å
202L85.5Confident93.6Very high96 Ų9635.2 Ų35.250%0.50317%0.169SC..THydrogen-bonded Turntrans-753.8172.7-68.6173.7000113.2L198 R200 S204 F306L198-L202 HydrophobicContact CD1-CD1 4.48Å; L198-L202 HydrophobicContact CD1-CG 4.22Å; L198-L202 HydrophobicContact CG-CD1 4.11Å; L198-L202 HydrophobicContact CG-CG 4.31Å; L198-L202 WeakPolarHBondContact O-CG 3.43Å; L198-L202 PolarHBondContact O-N 2.79Å; R200-L202 VanDerWaalsContact C-N 3.29Å; R200-L202 PolarHBondContact O-N 2.98Å; L202-S204 PolarHBondContact O-N 3.01Å; L202-F306 HydrophobicContact CD2-CE1 4.19Å; L202-F306 HydrophobicContact CD2-CZ 4.19Å
203E84.1Confident93.5Very high137 Ų13736.2 Ų36.264%0.6418%0.175SC*.THydrogen-bonded Turntrans57.926.1-176.3-53.6-170.2146.300113.6R200 K201 K205R200-E203 PolarHBondContact O-N 2.9Å; R200-E203 VanDerWaalsContact O-N 3.08Å; K201-E203 PolarHBondContact O-N 3.49Å; E203-K205 PolarHBondContact O-N 3.37Å
204S89.1Confident93.4Very high36 Ų3636.3 Ų36.325%0.25218%0.175SC..  trans-59.5129.8173.9-61.80000110H199 L202H199-S204 WeakPolarHBondContact CE1-CB 3.45Å; H199-S204 PolarHBondContact CE1-OG 2.89Å; H199-S204 VanDerWaalsContact CE1-OG 3.27Å; H199-S204 WeakPolarHBondContact ND1-CB 3.38Å; H199-S204 PolarHBondContact ND1-OG 2.81Å; H199-S204 VanDerWaalsContact ND1-OG 3.15Å; H199-S204 VanDerWaalsContact NE2-CB 3.27Å; H199-S204 WeakPolarHBondContact NE2-CB 3.4Å; H199-S204 WeakPolarHBondContact O-CB 3.24Å; H199-S204 PolarHBondContact O-N 2.74Å; H199-S204 VanDerWaalsContact O-N 3.17Å; H199-S204 PolarHBondContact O-OG 2.78Å; L202-S204 PolarHBondContact O-N 3.01Å
205K88.8Confident93.2Very high170 Ų17038.2 Ų38.274%0.73919%0.187SC*.  trans-86-13-177.5-61.8-175.5-178.8178.10113.2R131 L132 E203R131-K205 CarbonylContact C-O 3.58Å; R131-K205 VanDerWaalsContact CA-O 3.31Å; R131-K205 WeakPolarHBondContact CA-O 3.33Å; L132-K205 PolarHBondContact N-O 3.12Å; E203-K205 PolarHBondContact O-N 3.37Å
206S96.5Very high92.4Very high10 Ų1043.2 Ų43.27%0.0721%0.211CC..SBendtrans-84.3153.6176.156.70000111.9L129 A158 H199L129-S206 CarbonylContact O-C 3.29Å; L129-S206 WeakPolarHBondContact O-CA 3.28Å; A158-S206 VanDerWaalsContact O-CB 3.28Å; A158-S206 WeakPolarHBondContact O-CB 3.5Å; A158-S206 PolarHBondContact O-OG 2.95Å; H199-S206 PolarHBondContact CD2-O 2.99Å; H199-S206 PolarHBondContact CE1-OG 3.25Å; H199-S206 PolarHBondContact NE2-O 2.86Å; H199-S206 PolarHBondContact NE2-OG 2.66Å; H199-S206 VanDerWaalsContact NE2-OG 3.11Å
207G97.5Very high91.5Very high0 Ų044.9 Ų44.90%022%0.219CC..  trans-76-174.2165.200000111.9L129 L132 I134 P160L129-G207 PolarHBondContact O-N 3.12Å; L132-G207 WeakPolarHBondContact O-CA 3.26Å; L132-G207 PolarHBondContact O-N 2.79Å; I134-G207 CarbonylContact O-C 3.57Å; I134-G207 WeakPolarHBondContact O-CA 3.48Å; P160-G207 WeakPolarHBondContact CD-O 3.17Å
208V98.4Very high91.1Very high2 Ų248.5 Ų48.51%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-129.7125.7179-179.20000108.3I134 A135 V136 L162 F195 I196 V210I134-V208 PolarHBondContact O-N 2.84Å; A135-V208 CarbonylContact C-O 3.5Å; A135-V208 VanDerWaalsContact CA-O 3.32Å; A135-V208 WeakPolarHBondContact CA-O 3.34Å; V136-V208 PolarHBondContact N-O 3.38Å; L162-V208 HydrophobicContact CD2-CG1 3.48Å; L162-V208 VanDerWaalsContact CD2-CG1 3.48Å; L162-V208 HydrophobicContact CG-CG1 4.26Å; F195-V208 HydrophobicContact CD1-CG1 4.06Å; F195-V208 HydrophobicContact CD1-CG2 4.21Å; F195-V208 HydrophobicContact CE1-CG1 3.86Å; F195-V208 HydrophobicContact CE1-CG2 3.82Å; I196-V208 HydrophobicContact CG1-CB 4.46Å; I196-V208 HydrophobicContact CG1-CG2 4.44Å; V208-V210 HydrophobicContact CG1-CG2 4.07Å
209L98.7Very high90.6Very high0 Ų050.9 Ų50.90%026%0.259CS..EExtended strand (participates in β ladder)trans-88.9113.3172.5-178.766.3000109.2I109 V136 C138 L154 P160 A161 L162 F170I109-L209 HydrophobicContact CD1-CD1 3.74Å; I109-L209 HydrophobicContact CD1-CD2 3.57Å; I109-L209 HydrophobicContact CD1-CG 4.31Å; I109-L209 HydrophobicContact CG1-CD1 4.18Å; I109-L209 HydrophobicContact CG1-CD2 4.47Å; I109-L209 HydrophobicContact CG2-CD1 3.91Å; V136-L209 HydrophobicContact CB-CD1 4.36Å; V136-L209 HydrophobicContact CG1-CD1 4.27Å; C138-L209 VanDerWaalsContact SG-CD1 3.58Å; L154-L209 HydrophobicContact CD1-CD2 3.6Å; P160-L209 PolarHBondContact O-N 2.99Å; A161-L209 HydrophobicContact CB-CB 4.38Å; A161-L209 HydrophobicContact CB-CD2 4.27Å; L162-L209 PolarHBondContact N-O 3.24Å; F170-L209 HydrophobicContact CE2-CD2 4.44Å; F170-L209 HydrophobicContact CZ-CD2 3.98Å
210V98.7Very high90.1Very high0 Ų053.3 Ų53.30%028%0.278CS..EExtended strand (participates in β ladder)trans-102.3102.1177.11790000108.8V136 V137 C138 L162 I192 V208 V212 I280V136-V210 PolarHBondContact O-N 3.3Å; V137-V210 WeakPolarHBondContact CA-O 3.21Å; V137-V210 HydrophobicContact CG1-CG1 4.38Å; V137-V210 HydrophobicContact CG2-CB 4.07Å; V137-V210 HydrophobicContact CG2-CG1 4.27Å; V137-V210 HydrophobicContact CG2-CG2 4.49Å; C138-V210 PolarHBondContact N-O 3.27Å; L162-V210 HydrophobicContact CD1-CB 4.03Å; L162-V210 HydrophobicContact CD1-CG1 3.74Å; L162-V210 HydrophobicContact CD1-CG2 3.91Å; L162-V210 HydrophobicContact CD2-CG2 4.25Å; L162-V210 HydrophobicContact CG-CG2 4.18Å; I192-V210 HydrophobicContact CD1-CG1 4.05Å; I192-V210 HydrophobicContact CG2-CG1 4.15Å; I192-V210 HydrophobicContact CG2-CG2 3.78Å; V208-V210 HydrophobicContact CG1-CG2 4.07Å; V210-V212 HydrophobicContact CG1-CG2 4.46Å; V210-I280 HydrophobicContact CG1-CD1 3.96Å
211A98.5Very high90Very high0 Ų051.7 Ų51.70%028%0.275CS..EExtended strand (participates in β ladder)trans-85.6125.3177.300000110.6C138 L162 T163 L164 F170 P171C138-A211 CarbonylContact O-C 3.54Å; C138-A211 WeakPolarHBondContact O-CA 3.49Å; L162-A211 WeakPolarHBondContact O-CB 3.47Å; L162-A211 PolarHBondContact O-N 2.77Å; T163-A211 CarbonylContact C-O 3.49Å; T163-A211 VanDerWaalsContact CA-O 3.31Å; T163-A211 WeakPolarHBondContact CA-O 3.28Å; L164-A211 PolarHBondContact N-O 3.38Å; F170-A211 HydrophobicContact CD2-CB 4.19Å; F170-A211 HydrophobicContact CE2-CB 3.62Å; F170-A211 HydrophobicContact CZ-CB 4.01Å; P171-A211 HydrophobicContact CG-CB 3.69Å
212V98.3Very high90.1Very high2 Ų249.6 Ų49.61%0.01227%0.271CS..  trans-111.5117.3-179.9-176.70000107.7V137 C138 A139 L164 V210 N272 V276V137-V212 HydrophobicContact CG1-CG2 3.58Å; C138-V212 PolarHBondContact O-N 2.69Å; A139-V212 WeakPolarHBondContact CA-O 3.31Å; L164-V212 HydrophobicContact CD2-CG1 4.48Å; V210-V212 HydrophobicContact CG1-CG2 4.46Å; V212-N272 VanDerWaalsContact CG1-ND2 3.3Å; V212-N272 WeakPolarHBondContact CG1-ND2 3.42Å; V212-V276 HydrophobicContact CG1-CB 4.48Å; V212-V276 HydrophobicContact CG1-CG2 3.91Å; V212-V276 HydrophobicContact CG2-CB 4.13Å; V212-V276 HydrophobicContact CG2-CG1 3.75Å; V212-V276 HydrophobicContact CG2-CG2 4.4Å
213P96.2Very high90.3Very high21 Ų2152.1 Ų52.114%0.13628%0.278CS..PPolyproline II helixtrans-55.5126.9176.1-26.935.5000110.9T163 L164 Q168 K176 N272T163-P213 HydrophobicContact CG2-CG 3.87Å; L164-P213 WeakPolarHBondContact O-CD 3.4Å; L164-P213 WeakPolarHBondContact O-CG 3.14Å; Q168-P213 HydrophobicContact CG-CG 4.4Å; K176-P213 HydrophobicContact CG-CB 4.2Å; P213-N272 PolarHBondContact O-ND2 3.15Å
214P93.6Very high90.6Very high1 Ų148.4 Ų48.41%0.00627%0.267CS..PPolyproline II helixtrans-65.8160178.827.8-36.2000111.2K176 L269K176-P214 WeakPolarHBondContact CE-O 3.33Å; K176-P214 HydrophobicContact CG-CG 4.37Å; K176-P214 VanDerWaalsContact CG-O 3.27Å; K176-P214 WeakPolarHBondContact CG-O 3.35Å; P214-L269 HydrophobicContact CB-CB 4.08Å
215P88.7Confident90.7Very high54 Ų5446.7 Ų46.735%0.35126%0.255SS..PPolyproline II helixtrans-52.6143.2169.2-25.335.2000111.6L217 A268 N272P215-L217 PolarHBondContact O-N 3.38Å; P215-A268 HydrophobicContact CG-CB 4.24Å; P215-N272 HydrophobicContact CG-CB 4.35Å
216E81.1Confident90.7Very high153 Ų15344.1 Ų44.172%0.71524%0.243SC*.PPolyproline II helixtrans-68.5131.6-174.1-157.2157.8160.600111.9K176K176-E216 HydrophobicContact CD-CG 4.45Å; K176-E216 IonicContact NZ-OE2 3.8Å; K176-E216 PolarHBondContact NZ-OE2 3.35Å
217L77.4Confident90.6Very high38 Ų3847.5 Ų47.520%0.19926%0.264CS..PPolyproline II helixtrans-90.9141165.9-66.8173.3000108.7P215 N221 T265P215-L217 PolarHBondContact O-N 3.38Å; L217-N221 HydrophobicContact CB-CB 4.41Å; L217-T265 HydrophobicContact CD1-CG2 4.05Å; L217-T265 HydrophobicContact CD2-CG2 4.19Å; L217-T265 WeakPolarHBondContact CD2-OG1 3.23Å; L217-T265 HydrophobicContact CG-CG2 4.3Å
218D82.4Confident90.4Very high79 Ų7947.7 Ų47.742%0.42227%0.265SS..PPolyproline II helixtrans-59.7158.2167.465.963000110.9S220 N221 S222D218-S220 PolarHBondContact O-N 2.94Å; D218-S220 VanDerWaalsContact O-N 3.13Å; D218-S220 WeakPolarHBondContact OD1-CB 3.42Å; D218-S220 PolarHBondContact OD1-N 2.93Å; D218-S220 VanDerWaalsContact OD1-N 3.07Å; D218-S220 PolarHBondContact OD1-OG 3.13Å; D218-N221 PolarHBondContact O-N 3.07Å; D218-N221 WeakPolarHBondContact OD1-CB 3.37Å; D218-N221 PolarHBondContact OD1-N 3.3Å; D218-N221 PolarHBondContact OD1-ND2 2.99Å; D218-N221 PolarHBondContact OD2-ND2 3.49Å; D218-S222 WeakPolarHBondContact O-CB 3.48Å; D218-S222 PolarHBondContact O-N 3.08Å
219S81.5Confident90Very high94 Ų9448 Ų4866%0.65727%0.267SS*.Hα-helixtrans-59.8-27.5-173.960.50000113.5K223S219-K223 WeakPolarHBondContact O-CG 3.49Å; S219-K223 PolarHBondContact O-N 3.47Å
220S82.9Confident89.6Confident71 Ų7152.3 Ų52.350%0.49729%0.287SS..Hα-helixtrans-75.7-47.7178.471.50000111.6D218 S222 K223 S224D218-S220 PolarHBondContact O-N 2.94Å; D218-S220 VanDerWaalsContact O-N 3.13Å; D218-S220 WeakPolarHBondContact OD1-CB 3.42Å; D218-S220 PolarHBondContact OD1-N 2.93Å; D218-S220 VanDerWaalsContact OD1-N 3.07Å; D218-S220 PolarHBondContact OD1-OG 3.13Å; S220-S222 VanDerWaalsContact C-N 3.35Å; S220-S222 PolarHBondContact O-N 3.36Å; S220-K223 PolarHBondContact O-N 3.16Å; S220-S224 PolarHBondContact O-N 2.95Å; S220-S224 PolarHBondContact O-OG 3.13Å
221N88.1Confident89.3Confident40 Ų4056.1 Ų56.121%0.21431%0.305CS..Hα-helixtrans-65.1-39.2177.9-75.5-27.6000111.5L217 D218 K223 S224 V225 L261L217-N221 HydrophobicContact CB-CB 4.41Å; D218-N221 PolarHBondContact O-N 3.07Å; D218-N221 WeakPolarHBondContact OD1-CB 3.37Å; D218-N221 PolarHBondContact OD1-N 3.3Å; D218-N221 PolarHBondContact OD1-ND2 2.99Å; D218-N221 PolarHBondContact OD2-ND2 3.49Å; N221-K223 PolarHBondContact O-N 3.42Å; N221-S224 PolarHBondContact O-N 2.97Å; N221-V225 WeakPolarHBondContact O-CG2 3.43Å; N221-V225 PolarHBondContact O-N 3.36Å; N221-L261 HydrophobicContact CB-CD1 4.37Å; N221-L261 WeakPolarHBondContact OD1-CD1 3.34Å
222S86.2Confident88.9Confident37 Ų3756.1 Ų56.126%0.25931%0.305SS..Hα-helixtrans-59.3-45.6174.4-178.40000111.9D218 S220 V225 K226D218-S222 WeakPolarHBondContact O-CB 3.48Å; D218-S222 PolarHBondContact O-N 3.08Å; S220-S222 VanDerWaalsContact C-N 3.35Å; S220-S222 PolarHBondContact O-N 3.36Å; S222-V225 PolarHBondContact O-N 3.01Å; S222-K226 WeakPolarHBondContact O-CB 3.24Å; S222-K226 PolarHBondContact O-N 3.4Å
223K89.9Confident88.3Confident150 Ų15058 Ų5865%0.65232%0.315SS*.Hα-helixtrans-61.8-46175.1-75.7175.3-177.2178.50111.8S219 S220 N221 V225 K226 T227S219-K223 WeakPolarHBondContact O-CG 3.49Å; S219-K223 PolarHBondContact O-N 3.47Å; S220-K223 PolarHBondContact O-N 3.16Å; N221-K223 PolarHBondContact O-N 3.42Å; K223-V225 PolarHBondContact O-N 3.48Å; K223-K226 PolarHBondContact O-N 3.47Å; K223-T227 PolarHBondContact O-N 3.28Å; K223-T227 PolarHBondContact O-OG1 3.1Å; K223-T227 VanDerWaalsContact O-OG1 3.09Å
224S90.9Very high88Confident58 Ų5864.1 Ų64.141%0.40634%0.339SS..Hα-helixtrans-58.6-45.6178.5-65.20000112.6S220 N221 A228S220-S224 PolarHBondContact O-N 2.95Å; S220-S224 PolarHBondContact O-OG 3.13Å; N221-S224 PolarHBondContact O-N 2.97Å; S224-A228 WeakPolarHBondContact O-CB 3.27Å; S224-A228 PolarHBondContact O-N 3.19Å
225V90.1Very high87.8Confident0 Ų066 Ų660%035%0.348CS..Hα-helixtrans-65.9-41.5177.4175.10000111.1F174 F175 N221 S222 K223 A228 I229 V254 L261F174-V225 HydrophobicContact CB-CG1 4.08Å; F174-V225 HydrophobicContact CD1-CG1 4.5Å; F174-V225 HydrophobicContact CD2-CG1 4.01Å; F174-V225 HydrophobicContact CG-CG1 3.95Å; F175-V225 HydrophobicContact CE1-CG1 4.41Å; F175-V225 HydrophobicContact CZ-CB 4.41Å; F175-V225 HydrophobicContact CZ-CG1 3.98Å; N221-V225 WeakPolarHBondContact O-CG2 3.43Å; N221-V225 PolarHBondContact O-N 3.36Å; S222-V225 PolarHBondContact O-N 3.01Å; K223-V225 PolarHBondContact O-N 3.48Å; V225-A228 PolarHBondContact O-N 3.31Å; V225-I229 HydrophobicContact CG1-CD1 3.94Å; V225-I229 WeakPolarHBondContact O-CG1 3.29Å; V225-I229 PolarHBondContact O-N 3.46Å; V225-V254 HydrophobicContact CG1-CG1 4.45Å; V225-L261 HydrophobicContact CG2-CB 4.43Å
226K90Very high87.5Confident116 Ų11664.6 Ų64.650%0.50434%0.337SS..Hα-helixtrans-62.2-46.6177.4-172.7174.2179.7175.30112F175 S222 K223 A228 I229 E230F175-K226 HydrophobicContact CE1-CB 4.36Å; F175-K226 HydrophobicContact CZ-CB 3.94Å; S222-K226 WeakPolarHBondContact O-CB 3.24Å; S222-K226 PolarHBondContact O-N 3.4Å; K223-K226 PolarHBondContact O-N 3.47Å; K226-A228 VanDerWaalsContact C-N 3.33Å; K226-A228 PolarHBondContact O-N 3.02Å; K226-I229 PolarHBondContact O-N 3.45Å; K226-E230 WeakPolarHBondContact CE-OE1 3.3Å; K226-E230 WeakPolarHBondContact O-CG 3.43Å; K226-E230 PolarHBondContact O-N 3Å
227T93Very high87.4Confident82 Ų8262.2 Ų62.250%0.50334%0.337SS..Hα-helixtrans-61.2-41.8175.7-59.70000111.6K223 I229 E230 Q231K223-T227 PolarHBondContact O-N 3.28Å; K223-T227 PolarHBondContact O-OG1 3.1Å; K223-T227 VanDerWaalsContact O-OG1 3.09Å; T227-I229 VanDerWaalsContact C-N 3.34Å; T227-I229 PolarHBondContact O-N 3.12Å; T227-E230 PolarHBondContact O-N 2.95Å; T227-Q231 WeakPolarHBondContact O-CB 3.31Å; T227-Q231 PolarHBondContact O-N 2.89Å
228A93.1Very high87.6Confident3 Ų365.3 Ų65.33%0.02536%0.362CS..Hα-helixtrans-61.1-40.4175.800000112.5S224 V225 K226 S232 V254 L257S224-A228 WeakPolarHBondContact O-CB 3.27Å; S224-A228 PolarHBondContact O-N 3.19Å; V225-A228 PolarHBondContact O-N 3.31Å; K226-A228 VanDerWaalsContact C-N 3.33Å; K226-A228 PolarHBondContact O-N 3.02Å; A228-S232 VanDerWaalsContact O-CB 3.29Å; A228-S232 WeakPolarHBondContact O-CB 3.5Å; A228-S232 PolarHBondContact O-N 2.87Å; A228-S232 PolarHBondContact O-OG 3.1Å; A228-V254 HydrophobicContact CB-CG1 4.15Å; A228-L257 HydrophobicContact CB-CB 3.63Å; A228-L257 HydrophobicContact CB-CD1 4.45Å
229I90Very high87.5Confident8 Ų863.3 Ų63.34%0.04136%0.355CS..Hα-helixtrans-64.5-50.1175.6-69.4163.2000110.9A143 I144 F174 F175 V225 K226 T227 Q231 S232 L233 V254A143-I229 HydrophobicContact CB-CD1 3.94Å; I144-I229 HydrophobicContact CG2-CG2 4.15Å; F174-I229 HydrophobicContact CD2-CD1 3.91Å; F174-I229 HydrophobicContact CE2-CD1 4.39Å; F175-I229 HydrophobicContact CE2-CD1 3.78Å; F175-I229 HydrophobicContact CZ-CD1 3.97Å; V225-I229 HydrophobicContact CG1-CD1 3.94Å; V225-I229 WeakPolarHBondContact O-CG1 3.29Å; V225-I229 PolarHBondContact O-N 3.46Å; K226-I229 PolarHBondContact O-N 3.45Å; T227-I229 VanDerWaalsContact C-N 3.34Å; T227-I229 PolarHBondContact O-N 3.12Å; I229-Q231 VanDerWaalsContact C-N 3.31Å; I229-Q231 PolarHBondContact O-N 3.29Å; I229-S232 PolarHBondContact O-N 3.4Å; I229-L233 HydrophobicContact CG2-CD1 3.9Å; I229-L233 HydrophobicContact CG2-CG 4.44Å; I229-L233 WeakPolarHBondContact O-CG 3.39Å; I229-L233 PolarHBondContact O-N 3.31Å; I229-V254 HydrophobicContact CB-CG2 4.44Å; I229-V254 HydrophobicContact CG1-CG1 3.98Å; I229-V254 HydrophobicContact CG1-CG2 3.79Å
230E90.8Very high87.5Confident92 Ų9266.4 Ų66.443%0.4336%0.364SS..Hα-helixtrans-60.8-40.6-179.7-72.1173.5-17200112K226 T227 K234K226-E230 WeakPolarHBondContact CE-OE1 3.3Å; K226-E230 WeakPolarHBondContact O-CG 3.43Å; K226-E230 PolarHBondContact O-N 3Å; T227-E230 PolarHBondContact O-N 2.95Å; E230-K234 WeakPolarHBondContact O-CG 3.14Å; E230-K234 PolarHBondContact O-N 3.49Å
231Q92.4Very high87.4Confident79 Ų7965.1 Ų65.137%0.36935%0.351SS..Hα-helixtrans-66-47.3174.6-179.4176.4-18.800111.6T227 I229 L233 K234 E235 L257T227-Q231 WeakPolarHBondContact O-CB 3.31Å; T227-Q231 PolarHBondContact O-N 2.89Å; I229-Q231 VanDerWaalsContact C-N 3.31Å; I229-Q231 PolarHBondContact O-N 3.29Å; Q231-L233 VanDerWaalsContact C-N 3.27Å; Q231-L233 PolarHBondContact O-N 2.97Å; Q231-K234 WeakPolarHBondContact O-CB 3.3Å; Q231-K234 PolarHBondContact O-N 3.08Å; Q231-K234 VanDerWaalsContact O-N 3.1Å; Q231-E235 HydrophobicContact CG-CG 4.48Å; Q231-E235 PolarHBondContact NE2-OE1 2.9Å; Q231-E235 WeakPolarHBondContact O-CG 3.14Å; Q231-E235 PolarHBondContact O-N 3.04Å; Q231-L257 HydrophobicContact CB-CD1 4.05Å; Q231-L257 HydrophobicContact CG-CD1 3.91Å
232S89.7Confident87Confident0 Ų072.9 Ų72.90%038%0.377CS..Hα-helixtrans-61.8-35.9-178.9-57.60000112.3A228 I229 E235 I236 R253 V254A228-S232 VanDerWaalsContact O-CB 3.29Å; A228-S232 WeakPolarHBondContact O-CB 3.5Å; A228-S232 PolarHBondContact O-N 2.87Å; A228-S232 PolarHBondContact O-OG 3.1Å; I229-S232 PolarHBondContact O-N 3.4Å; S232-E235 PolarHBondContact O-N 3.4Å; S232-I236 PolarHBondContact O-N 3.02Å; S232-R253 WeakPolarHBondContact OG-CG 3.42Å; S232-V254 WeakPolarHBondContact OG-CG2 3.32Å
233L87.1Confident86.4Confident43 Ų4372.8 Ų72.823%0.22538%0.381CS..Hα-helixtrans-66.4-39174.7-72.6171000112.2I144 I229 Q231 I236 S237 L250I144-L233 HydrophobicContact CB-CD2 4.31Å; I229-L233 HydrophobicContact CG2-CD1 3.9Å; I229-L233 HydrophobicContact CG2-CG 4.44Å; I229-L233 WeakPolarHBondContact O-CG 3.39Å; I229-L233 PolarHBondContact O-N 3.31Å; Q231-L233 VanDerWaalsContact C-N 3.27Å; Q231-L233 PolarHBondContact O-N 2.97Å; L233-I236 PolarHBondContact O-N 3.04Å; L233-S237 PolarHBondContact O-N 2.69Å; L233-L250 HydrophobicContact CD2-CD1 4.08Å; L233-L250 HydrophobicContact CD2-CD2 4.34Å
234K88.3Confident85.6Confident148 Ų14873.5 Ų73.564%0.64339%0.385SS*.Hα-helixtrans-67.1-36.1173.5-70.7172.5-177.5175.30112.6E230 Q231 S237 S238E230-K234 WeakPolarHBondContact O-CG 3.14Å; E230-K234 PolarHBondContact O-N 3.49Å; Q231-K234 WeakPolarHBondContact O-CB 3.3Å; Q231-K234 PolarHBondContact O-N 3.08Å; Q231-K234 VanDerWaalsContact O-N 3.1Å; K234-S237 PolarHBondContact O-OG 2.9Å; K234-S238 PolarHBondContact O-OG 2.94Å
235E89.4Confident85Confident41 Ų4173.1 Ų73.119%0.19239%0.385CS..Hα-helixtrans-66.8-39.4175.7-70.9177.4-173.600111.2Q231 S232 S238 S239 Y249 R253Q231-E235 HydrophobicContact CG-CG 4.48Å; Q231-E235 PolarHBondContact NE2-OE1 2.9Å; Q231-E235 WeakPolarHBondContact O-CG 3.14Å; Q231-E235 PolarHBondContact O-N 3.04Å; S232-E235 PolarHBondContact O-N 3.4Å; E235-S238 PolarHBondContact O-N 2.85Å; E235-S238 PolarHBondContact O-OG 3.03Å; E235-S239 WeakPolarHBondContact O-CB 3.48Å; E235-S239 PolarHBondContact O-N 3.25Å; E235-Y249 PolarHBondContact OE2-OH 2.82Å; E235-R253 IonicContact OE1-CZ 3.89Å; E235-R253 IonicContact OE1-NE 2.78Å; E235-R253 PolarHBondContact OE1-NE 3.29Å; E235-R253 IonicContact OE1-NH2 2.78Å; E235-R253 PolarHBondContact OE1-NH2 3.28Å; E235-R253 WeakPolarHBondContact OE2-CG 3.48Å; E235-R253 IonicContact OE2-CZ 3.49Å; E235-R253 IonicContact OE2-NE 3.84Å; E235-R253 PolarHBondContact OE2-NE 3.3Å; E235-R253 IonicContact OE2-NH2 2.82Å
236I84.1Confident84.4Confident24 Ų2473.8 Ų73.812%0.12339%0.389CS..Hα-helixtrans-64.7-42.2176.8-79.3-161000112.4S232 L233 S238 S239 I241 V246 Y249 L250S232-I236 PolarHBondContact O-N 3.02Å; L233-I236 PolarHBondContact O-N 3.04Å; I236-S238 PolarHBondContact O-N 2.91Å; I236-S238 VanDerWaalsContact O-N 3.12Å; I236-S239 WeakPolarHBondContact CA-OG 3.19Å; I236-S239 PolarHBondContact O-N 2.77Å; I236-S239 PolarHBondContact O-OG 2.9Å; I236-I241 HydrophobicContact CD1-CG2 4.38Å; I236-V246 HydrophobicContact CD1-CB 4.31Å; I236-V246 HydrophobicContact CD1-CG1 3.75Å; I236-V246 HydrophobicContact CD1-CG2 4.46Å; I236-Y249 HydrophobicContact CD1-CD1 3.66Å; I236-Y249 HydrophobicContact CD1-CE1 4.27Å; I236-Y249 HydrophobicContact CD1-CG 4.49Å; I236-Y249 HydrophobicContact CG1-CD1 3.59Å; I236-Y249 HydrophobicContact CG1-CE1 3.68Å; I236-L250 HydrophobicContact CD1-CD1 3.88Å; I236-L250 HydrophobicContact CD1-CD2 3.5Å; I236-L250 VanDerWaalsContact CD1-CD2 3.5Å; I236-L250 HydrophobicContact CD1-CG 3.42Å; I236-L250 VanDerWaalsContact CD1-CG 3.42Å; I236-L250 HydrophobicContact CG1-CD2 3.89Å; I236-L250 HydrophobicContact CG1-CG 4.35Å
237S78.3Confident83.8Confident103 Ų10369.5 Ų69.572%0.7237%0.373SS*.Hα-helixtrans-63.2-20-177.8660000113.5L233 K234L233-S237 PolarHBondContact O-N 2.69Å; K234-S237 PolarHBondContact O-OG 2.9Å
238S81.6Confident83.1Confident104 Ų10466.7 Ų66.773%0.72736%0.356SS*.THydrogen-bonded Turntrans-99.34.6175.250.50000113.8K234 E235 I236K234-S238 PolarHBondContact O-OG 2.94Å; E235-S238 PolarHBondContact O-N 2.85Å; E235-S238 PolarHBondContact O-OG 3.03Å; I236-S238 PolarHBondContact O-N 2.91Å; I236-S238 VanDerWaalsContact O-N 3.12Å
239S80.9Confident82.8Confident37 Ų3769.3 Ų69.326%0.25937%0.366SS..SBendtrans-113.5169.3-176.281.20000113E235 I236 I241E235-S239 WeakPolarHBondContact O-CB 3.48Å; E235-S239 PolarHBondContact O-N 3.25Å; I236-S239 WeakPolarHBondContact CA-OG 3.19Å; I236-S239 PolarHBondContact O-N 2.77Å; I236-S239 PolarHBondContact O-OG 2.9Å; S239-I241 VanDerWaalsContact C-N 3.28Å; S239-I241 PolarHBondContact O-N 2.8Å; S239-I241 WeakPolarHBondContact OG-CB 3.21Å; S239-I241 WeakPolarHBondContact OG-CG1 3.34Å; S239-I241 PolarHBondContact OG-N 2.84Å
240N81.1Confident82.5Confident158 Ų15869.1 Ų69.185%0.84536%0.364SS*.SBendtrans-8712.1172.1-75.8-24.9000113.6R242N240-R242 PolarHBondContact O-N 3.1Å
241I81.5Confident82.2Confident44 Ų4466.3 Ų66.323%0.22635%0.352CS..  trans-78.9116.6-176.7-57177.7000109.4I236 S239 A245 V246 Y249I236-I241 HydrophobicContact CD1-CG2 4.38Å; S239-I241 VanDerWaalsContact C-N 3.28Å; S239-I241 PolarHBondContact O-N 2.8Å; S239-I241 WeakPolarHBondContact OG-CB 3.21Å; S239-I241 WeakPolarHBondContact OG-CG1 3.34Å; S239-I241 PolarHBondContact OG-N 2.84Å; I241-A245 HydrophobicContact CG2-CB 3.94Å; I241-V246 HydrophobicContact CG2-CG2 4.15Å; I241-Y249 HydrophobicContact CD1-CD1 3.92Å; I241-Y249 HydrophobicContact CD1-CD2 3.2Å; I241-Y249 HydrophobicContact CD1-CE1 4.12Å; I241-Y249 HydrophobicContact CD1-CE2 3.43Å; I241-Y249 VanDerWaalsContact CD1-CE2 3.43Å; I241-Y249 HydrophobicContact CD1-CG 3.45Å; I241-Y249 VanDerWaalsContact CD1-CG 3.45Å
242R79.5Confident81.9Confident204 Ų20470.2 Ų70.277%0.7736%0.364SS*.  trans-135.4159.3-177.1-63.8-171.8179.2-163.8-0.8112.9N240 K244 A245N240-R242 PolarHBondContact O-N 3.1Å; R242-K244 PolarHBondContact O-N 3.21Å; R242-A245 PolarHBondContact O-N 3.47Å
243G73.7Confident82Confident34 Ų3473.3 Ų73.335%0.35138%0.375SS..G310 helixtrans53.5-12917500000113.3A245 V246G243-A245 PolarHBondContact O-N 2.88Å; G243-V246 WeakPolarHBondContact O-CB 3.39Å; G243-V246 WeakPolarHBondContact O-CG2 3.44Å; G243-V246 PolarHBondContact O-N 3.36Å
244K71.6Confident82.1Confident165 Ų16571.4 Ų71.472%0.71737%0.365SS*.G310 helixtrans-59.5-18.3-172.270.3178.7-179.7179.80115.4R242 P248R242-K244 PolarHBondContact O-N 3.21Å; K244-P248 WeakPolarHBondContact O-CD 3.43Å
245A78.8Confident82.2Confident50 Ų5066.1 Ų66.141%0.41334%0.344SS..G310 helixtrans-83.6-16.6179.600000113.7I241 R242 G243 P248 Y249I241-A245 HydrophobicContact CG2-CB 3.94Å; R242-A245 PolarHBondContact O-N 3.47Å; G243-A245 PolarHBondContact O-N 2.88Å; A245-P248 WeakPolarHBondContact O-CD 3.17Å; A245-Y249 WeakPolarHBondContact O-CB 3.49Å; A245-Y249 PolarHBondContact O-N 3.23Å
246V78.1Confident82.4Confident15 Ų1569.3 Ų69.39%0.09136%0.359CS..Hα-helixtrans-63-54.1-176.5170.70000111.4I236 I241 G243 Y249 L250I236-V246 HydrophobicContact CD1-CB 4.31Å; I236-V246 HydrophobicContact CD1-CG1 3.75Å; I236-V246 HydrophobicContact CD1-CG2 4.46Å; I241-V246 HydrophobicContact CG2-CG2 4.15Å; G243-V246 WeakPolarHBondContact O-CB 3.39Å; G243-V246 WeakPolarHBondContact O-CG2 3.44Å; G243-V246 PolarHBondContact O-N 3.36Å; V246-Y249 PolarHBondContact O-N 3.1Å; V246-L250 HydrophobicContact CG1-CD1 3.65Å; V246-L250 HydrophobicContact CG1-CG 4.36Å; V246-L250 WeakPolarHBondContact O-CG 3.44Å; V246-L250 PolarHBondContact O-N 3.41Å
247T77Confident82.8Confident26 Ų2670.5 Ų70.516%0.1637%0.365CS..Hα-helixtrans-62.5-48.8-175.9-44.30000113.4K142 I144 Y249 L250 L251K142-T247 HydrophobicContact CD-CG2 3.89Å; I144-T247 HydrophobicContact CD1-CG2 4.17Å; T247-Y249 VanDerWaalsContact C-N 3.29Å; T247-Y249 PolarHBondContact O-N 2.73Å; T247-L250 PolarHBondContact O-N 2.95Å; T247-L251 HydrophobicContact CG2-CD1 4.12Å; T247-L251 HydrophobicContact CG2-CG 4.36Å; T247-L251 WeakPolarHBondContact O-CG 3.38Å; T247-L251 PolarHBondContact O-N 3.29Å
248P79.2Confident83.3Confident22 Ų2265.7 Ų65.714%0.14333%0.331CS..Hα-helixtrans-62.5-35.2177.9-23.235.4000113.1K244 A245 R252K244-P248 WeakPolarHBondContact O-CD 3.43Å; A245-P248 WeakPolarHBondContact O-CD 3.17Å; P248-R252 PolarHBondContact O-N 3.41Å
249Y85.7Confident83.7Confident59 Ų5968 Ų6823%0.23134%0.336CS..Hα-helixtrans-63.5-51.9173.1177.6-89000111.3E235 I236 I241 A245 V246 T247 L251 R252 R253E235-Y249 PolarHBondContact OE2-OH 2.82Å; I236-Y249 HydrophobicContact CD1-CD1 3.66Å; I236-Y249 HydrophobicContact CD1-CE1 4.27Å; I236-Y249 HydrophobicContact CD1-CG 4.49Å; I236-Y249 HydrophobicContact CG1-CD1 3.59Å; I236-Y249 HydrophobicContact CG1-CE1 3.68Å; I241-Y249 HydrophobicContact CD1-CD1 3.92Å; I241-Y249 HydrophobicContact CD1-CD2 3.2Å; I241-Y249 HydrophobicContact CD1-CE1 4.12Å; I241-Y249 HydrophobicContact CD1-CE2 3.43Å; I241-Y249 VanDerWaalsContact CD1-CE2 3.43Å; I241-Y249 HydrophobicContact CD1-CG 3.45Å; I241-Y249 VanDerWaalsContact CD1-CG 3.45Å; A245-Y249 WeakPolarHBondContact O-CB 3.49Å; A245-Y249 PolarHBondContact O-N 3.23Å; V246-Y249 PolarHBondContact O-N 3.1Å; T247-Y249 VanDerWaalsContact C-N 3.29Å; T247-Y249 PolarHBondContact O-N 2.73Å; Y249-L251 VanDerWaalsContact C-N 3.34Å; Y249-L251 PolarHBondContact O-N 3.39Å; Y249-R252 PolarHBondContact O-N 3.34Å; Y249-R253 HydrophobicContact CD1-CB 4.44Å; Y249-R253 HydrophobicContact CE1-CB 4.13Å; Y249-R253 HydrophobicContact CE1-CG 4.28Å; Y249-R253 WeakPolarHBondContact O-CB 3.35Å; Y249-R253 PolarHBondContact O-N 3.44Å
250L84.4Confident84Confident3 Ų367.7 Ų67.72%0.01634%0.338CS..Hα-helixtrans-60.5-42.4-177.7-72.2171.9000112.1I144 L233 I236 V246 T247 R253 V254I144-L250 HydrophobicContact CB-CD1 3.81Å; I144-L250 HydrophobicContact CD1-CB 4.24Å; I144-L250 HydrophobicContact CD1-CD1 3.47Å; I144-L250 VanDerWaalsContact CD1-CD1 3.47Å; I144-L250 HydrophobicContact CD1-CG 4.49Å; I144-L250 HydrophobicContact CG1-CD1 4.22Å; I144-L250 HydrophobicContact CG2-CB 4.15Å; I144-L250 HydrophobicContact CG2-CD1 3.81Å; I144-L250 HydrophobicContact CG2-CG 4.43Å; L233-L250 HydrophobicContact CD2-CD1 4.08Å; L233-L250 HydrophobicContact CD2-CD2 4.34Å; I236-L250 HydrophobicContact CD1-CD1 3.88Å; I236-L250 HydrophobicContact CD1-CD2 3.5Å; I236-L250 VanDerWaalsContact CD1-CD2 3.5Å; I236-L250 HydrophobicContact CD1-CG 3.42Å; I236-L250 VanDerWaalsContact CD1-CG 3.42Å; I236-L250 HydrophobicContact CG1-CD2 3.89Å; I236-L250 HydrophobicContact CG1-CG 4.35Å; V246-L250 HydrophobicContact CG1-CD1 3.65Å; V246-L250 HydrophobicContact CG1-CG 4.36Å; V246-L250 WeakPolarHBondContact O-CG 3.44Å; V246-L250 PolarHBondContact O-N 3.41Å; T247-L250 PolarHBondContact O-N 2.95Å; L250-R253 PolarHBondContact O-N 2.95Å; L250-V254 VanDerWaalsContact O-CB 3.28Å; L250-V254 WeakPolarHBondContact O-CB 3.49Å; L250-V254 WeakPolarHBondContact O-CG2 3.25Å; L250-V254 PolarHBondContact O-N 3.22Å
251L83.2Confident84.4Confident33 Ų3362.1 Ų62.117%0.17331%0.308CS..Hα-helixtrans-64.1-43.9178.7-69.9177.8000112.1F173 F174 T247 Y249 N255F173-L251 HydrophobicContact CE1-CD2 4.21Å; F174-L251 HydrophobicContact CZ-CD2 4.48Å; T247-L251 HydrophobicContact CG2-CD1 4.12Å; T247-L251 HydrophobicContact CG2-CG 4.36Å; T247-L251 WeakPolarHBondContact O-CG 3.38Å; T247-L251 PolarHBondContact O-N 3.29Å; Y249-L251 VanDerWaalsContact C-N 3.34Å; Y249-L251 PolarHBondContact O-N 3.39Å; L251-N255 WeakPolarHBondContact O-CB 3.33Å; L251-N255 PolarHBondContact O-N 3.14Å; L251-N255 VanDerWaalsContact O-N 3.1Å
252R86.4Confident84.7Confident162 Ų16260.1 Ų60.161%0.61130%0.298SS*.Hα-helixtrans-61-48.7173.8-82.7-171.3-61.5-145.60.8111.4P248 Y249 N255 E256P248-R252 PolarHBondContact O-N 3.41Å; Y249-R252 PolarHBondContact O-N 3.34Å; R252-N255 WeakPolarHBondContact O-CB 3.4Å; R252-N255 PolarHBondContact O-N 3.17Å; R252-N255 VanDerWaalsContact O-N 3.14Å; R252-E256 WeakPolarHBondContact O-CG 3.44Å; R252-E256 PolarHBondContact O-N 3.36Å
253R91.2Very high85.2Confident65 Ų6551.8 Ų51.825%0.24527%0.269CS..Hα-helixtrans-66.6-41.8-174.6-17058.1175.91574112.6S232 E235 Y249 L250 N255 E256 L257S232-R253 WeakPolarHBondContact OG-CG 3.42Å; E235-R253 IonicContact OE1-CZ 3.89Å; E235-R253 IonicContact OE1-NE 2.78Å; E235-R253 PolarHBondContact OE1-NE 3.29Å; E235-R253 IonicContact OE1-NH2 2.78Å; E235-R253 PolarHBondContact OE1-NH2 3.28Å; E235-R253 WeakPolarHBondContact OE2-CG 3.48Å; E235-R253 IonicContact OE2-CZ 3.49Å; E235-R253 IonicContact OE2-NE 3.84Å; E235-R253 PolarHBondContact OE2-NE 3.3Å; E235-R253 IonicContact OE2-NH2 2.82Å; Y249-R253 HydrophobicContact CD1-CB 4.44Å; Y249-R253 HydrophobicContact CE1-CB 4.13Å; Y249-R253 HydrophobicContact CE1-CG 4.28Å; Y249-R253 WeakPolarHBondContact O-CB 3.35Å; Y249-R253 PolarHBondContact O-N 3.44Å; L250-R253 PolarHBondContact O-N 2.95Å; R253-N255 VanDerWaalsContact C-N 3.27Å; R253-N255 PolarHBondContact O-N 2.93Å; R253-E256 WeakPolarHBondContact CD-OE2 3.27Å; R253-E256 IonicContact CZ-OE2 2.76Å; R253-E256 IonicContact NH1-OE2 3.12Å; R253-E256 PolarHBondContact NH1-OE2 3.09Å; R253-E256 PolarHBondContact O-N 2.98Å; R253-L257 HydrophobicContact CG-CD1 4.08Å; R253-L257 HydrophobicContact CG-CG 4.47Å; R253-L257 WeakPolarHBondContact O-CB 3.14Å; R253-L257 WeakPolarHBondContact O-CG 3.21Å; R253-L257 PolarHBondContact O-N 3.46Å
254V90.7Very high86Confident2 Ų257.8 Ų57.81%0.01229%0.285CS..Hα-helixtrans-62.3-37.5173.8172.20000110.6V225 A228 I229 S232 L250 S258 A262V225-V254 HydrophobicContact CG1-CG1 4.45Å; A228-V254 HydrophobicContact CB-CG1 4.15Å; I229-V254 HydrophobicContact CB-CG2 4.44Å; I229-V254 HydrophobicContact CG1-CG1 3.98Å; I229-V254 HydrophobicContact CG1-CG2 3.79Å; S232-V254 WeakPolarHBondContact OG-CG2 3.32Å; L250-V254 VanDerWaalsContact O-CB 3.28Å; L250-V254 WeakPolarHBondContact O-CB 3.49Å; L250-V254 WeakPolarHBondContact O-CG2 3.25Å; L250-V254 PolarHBondContact O-N 3.22Å; V254-S258 WeakPolarHBondContact O-CB 3.41Å; V254-S258 PolarHBondContact O-N 3.1Å; V254-S258 PolarHBondContact O-OG 3.26Å; V254-A262 HydrophobicContact CG1-CB 3.83Å
255N90.2Very high86.9Confident38 Ų3850.3 Ų50.320%0.20325%0.254CS..Hα-helixtrans-67.3-43.2176.3-169.256.9000113L251 R252 R253 S258 N259 G260 A262 L263L251-N255 WeakPolarHBondContact O-CB 3.33Å; L251-N255 PolarHBondContact O-N 3.14Å; L251-N255 VanDerWaalsContact O-N 3.1Å; R252-N255 WeakPolarHBondContact O-CB 3.4Å; R252-N255 PolarHBondContact O-N 3.17Å; R252-N255 VanDerWaalsContact O-N 3.14Å; R253-N255 VanDerWaalsContact C-N 3.27Å; R253-N255 PolarHBondContact O-N 2.93Å; N255-S258 PolarHBondContact O-N 3.12Å; N255-S258 PolarHBondContact O-OG 2.98Å; N255-N259 PolarHBondContact O-N 3.32Å; N255-G260 PolarHBondContact O-N 3.26Å; N255-G260 VanDerWaalsContact OD1-CA 3.23Å; N255-G260 WeakPolarHBondContact OD1-CA 3.49Å; N255-G260 PolarHBondContact OD1-O 3.44Å; N255-A262 HydrophobicContact CB-CB 4.36Å; N255-L263 WeakPolarHBondContact OD1-CB 3.31Å; N255-L263 PolarHBondContact OD1-N 3.25Å
256E92.2Very high87.5Confident108 Ų10848.6 Ų48.651%0.50524%0.237SC..Hα-helixtrans-59.6-52.2174.2-71.3167.3-166.800111.3R252 R253 S258 N259R252-E256 WeakPolarHBondContact O-CG 3.44Å; R252-E256 PolarHBondContact O-N 3.36Å; R253-E256 WeakPolarHBondContact CD-OE2 3.27Å; R253-E256 IonicContact CZ-OE2 2.76Å; R253-E256 IonicContact NH1-OE2 3.12Å; R253-E256 PolarHBondContact NH1-OE2 3.09Å; R253-E256 PolarHBondContact O-N 2.98Å; E256-S258 PolarHBondContact O-N 3.32Å; E256-N259 PolarHBondContact O-N 2.84Å; E256-N259 VanDerWaalsContact O-N 3.14Å
257L92.8Very high88.2Confident49 Ų4950.1 Ų50.126%0.25724%0.244SC..Hα-helixtrans-67.6-23.3-177.9-69176.2000113.2A228 Q231 R253A228-L257 HydrophobicContact CB-CB 3.63Å; A228-L257 HydrophobicContact CB-CD1 4.45Å; Q231-L257 HydrophobicContact CB-CD1 4.05Å; Q231-L257 HydrophobicContact CG-CD1 3.91Å; R253-L257 HydrophobicContact CG-CD1 4.08Å; R253-L257 HydrophobicContact CG-CG 4.47Å; R253-L257 WeakPolarHBondContact O-CB 3.14Å; R253-L257 WeakPolarHBondContact O-CG 3.21Å; R253-L257 PolarHBondContact O-N 3.46Å
258S90Very high89Confident1 Ų150.7 Ų50.71%0.00725%0.252CS..THydrogen-bonded Turntrans-98.112.3176.267.30000113.7V254 N255 E256 G260 L261 A262V254-S258 WeakPolarHBondContact O-CB 3.41Å; V254-S258 PolarHBondContact O-N 3.1Å; V254-S258 PolarHBondContact O-OG 3.26Å; N255-S258 PolarHBondContact O-N 3.12Å; N255-S258 PolarHBondContact O-OG 2.98Å; E256-S258 PolarHBondContact O-N 3.32Å; S258-G260 VanDerWaalsContact C-N 3.29Å; S258-G260 PolarHBondContact O-N 3.35Å; S258-L261 VanDerWaalsContact O-CB 3.28Å; S258-L261 WeakPolarHBondContact O-CB 3.41Å; S258-L261 WeakPolarHBondContact O-CD1 3.47Å; S258-L261 WeakPolarHBondContact O-CG 3.33Å; S258-L261 PolarHBondContact O-N 3.17Å; S258-L261 VanDerWaalsContact O-N 3.1Å; S258-A262 WeakPolarHBondContact OG-CB 3.34Å; S258-A262 PolarHBondContact OG-N 3.34Å; S258-A262 VanDerWaalsContact OG-N 3.16Å
259N88.8Confident89.8Confident154 Ų15449.7 Ų49.782%0.82425%0.245SC*.THydrogen-bonded Turntrans51.742.7179.1-61-56000113.6N255 E256 L261N255-N259 PolarHBondContact O-N 3.32Å; E256-N259 PolarHBondContact O-N 2.84Å; E256-N259 VanDerWaalsContact O-N 3.14Å; N259-L261 VanDerWaalsContact C-N 3.33Å; N259-L261 PolarHBondContact O-N 3.24Å
260G88.3Confident90.3Very high29 Ų2947.2 Ų47.230%0.29924%0.236SC..THydrogen-bonded Turntrans86.2-7178.600000115.5N255 S258 A262 L263 K264N255-G260 PolarHBondContact O-N 3.26Å; N255-G260 VanDerWaalsContact OD1-CA 3.23Å; N255-G260 WeakPolarHBondContact OD1-CA 3.49Å; N255-G260 PolarHBondContact OD1-O 3.44Å; S258-G260 VanDerWaalsContact C-N 3.29Å; S258-G260 PolarHBondContact O-N 3.35Å; G260-A262 PolarHBondContact O-N 3.25Å; G260-L263 PolarHBondContact O-N 2.85Å; G260-K264 PolarHBondContact O-N 3.34Å; G260-K264 VanDerWaalsContact O-N 3.16Å
261L88.7Confident90.9Very high41 Ų4150.6 Ų50.622%0.21525%0.251CS..Hα-helixtrans-61.9-41.8-179.3-70.6169.2000111.9N221 V225 S258 N259 L263 K264 T265N221-L261 HydrophobicContact CB-CD1 4.37Å; N221-L261 WeakPolarHBondContact OD1-CD1 3.34Å; V225-L261 HydrophobicContact CG2-CB 4.43Å; S258-L261 VanDerWaalsContact O-CB 3.28Å; S258-L261 WeakPolarHBondContact O-CB 3.41Å; S258-L261 WeakPolarHBondContact O-CD1 3.47Å; S258-L261 WeakPolarHBondContact O-CG 3.33Å; S258-L261 PolarHBondContact O-N 3.17Å; S258-L261 VanDerWaalsContact O-N 3.1Å; N259-L261 VanDerWaalsContact C-N 3.33Å; N259-L261 PolarHBondContact O-N 3.24Å; L261-L263 VanDerWaalsContact C-N 3.34Å; L261-L263 PolarHBondContact O-N 3.35Å; L261-K264 PolarHBondContact O-N 2.87Å; L261-T265 PolarHBondContact O-N 2.99Å; L261-T265 PolarHBondContact O-OG1 2.96Å
262A88.3Confident91.6Very high3 Ų350.1 Ų50.13%0.02525%0.248CC..Hα-helixtrans-61.3-41.2179.400000112.4F174 V254 N255 S258 G260 T265 N266F174-A262 HydrophobicContact CE1-CB 4.08Å; F174-A262 WeakPolarHBondContact CE1-O 3.48Å; F174-A262 HydrophobicContact CZ-CB 4.03Å; V254-A262 HydrophobicContact CG1-CB 3.83Å; N255-A262 HydrophobicContact CB-CB 4.36Å; S258-A262 WeakPolarHBondContact OG-CB 3.34Å; S258-A262 PolarHBondContact OG-N 3.34Å; S258-A262 VanDerWaalsContact OG-N 3.16Å; G260-A262 PolarHBondContact O-N 3.25Å; A262-T265 PolarHBondContact O-N 3.32Å; A262-N266 VanDerWaalsContact O-CB 3.26Å; A262-N266 WeakPolarHBondContact O-CB 3.45Å; A262-N266 PolarHBondContact O-N 3.04Å
263L89.7Confident92.2Very high28 Ų2842.4 Ų42.415%0.14722%0.219CC..Hα-helixtrans-62.1-47.6174.8178.162.1000111.1M16 D20 N255 G260 L261 T265 N266 I267M16-L263 HydrophobicContact CB-CD1 4.26Å; M16-L263 HydrophobicContact CE-CD1 4.02Å; M16-L263 HydrophobicContact CG-CD1 3.65Å; M16-L263 HydrophobicContact SD-CD1 3.8Å; D20-L263 HydrophobicContact CB-CD2 4.49Å; N255-L263 WeakPolarHBondContact OD1-CB 3.31Å; N255-L263 PolarHBondContact OD1-N 3.25Å; G260-L263 PolarHBondContact O-N 2.85Å; L261-L263 VanDerWaalsContact C-N 3.34Å; L261-L263 PolarHBondContact O-N 3.35Å; L263-T265 VanDerWaalsContact C-N 3.32Å; L263-T265 PolarHBondContact O-N 3.2Å; L263-N266 WeakPolarHBondContact O-CB 3.35Å; L263-N266 PolarHBondContact O-N 2.89Å; L263-N266 VanDerWaalsContact O-N 3.12Å; L263-I267 HydrophobicContact CD1-CD1 4.25Å; L263-I267 HydrophobicContact CD1-CG1 4.37Å; L263-I267 HydrophobicContact CG-CD1 4.13Å; L263-I267 WeakPolarHBondContact O-CG1 3.4Å; L263-I267 PolarHBondContact O-N 3.49Å
264K90.6Very high92.5Very high160 Ų16039.3 Ų39.370%0.69621%0.207SC*.Hα-helixtrans-57.9-44.6177.9-172.9179.8179.1-177.60111.9G260 L261 I267 A268G260-K264 PolarHBondContact O-N 3.34Å; G260-K264 VanDerWaalsContact O-N 3.16Å; L261-K264 PolarHBondContact O-N 2.87Å; K264-I267 PolarHBondContact O-N 2.79Å; K264-A268 PolarHBondContact O-N 3.06Å; K264-A268 VanDerWaalsContact O-N 3.08Å
265T90.4Very high92.9Very high9 Ų945.1 Ų45.16%0.05523%0.229CC..Hα-helixtrans-64.4-41.3175.9-51.50000111.6F174 L217 L261 A262 L263 I267 A268 L269F174-T265 HydrophobicContact CD1-CG2 3.85Å; L217-T265 HydrophobicContact CD1-CG2 4.05Å; L217-T265 HydrophobicContact CD2-CG2 4.19Å; L217-T265 WeakPolarHBondContact CD2-OG1 3.23Å; L217-T265 HydrophobicContact CG-CG2 4.3Å; L261-T265 PolarHBondContact O-N 2.99Å; L261-T265 PolarHBondContact O-OG1 2.96Å; A262-T265 PolarHBondContact O-N 3.32Å; L263-T265 VanDerWaalsContact C-N 3.32Å; L263-T265 PolarHBondContact O-N 3.2Å; T265-I267 VanDerWaalsContact C-N 3.34Å; T265-I267 PolarHBondContact O-N 2.81Å; T265-A268 PolarHBondContact O-N 2.89Å; T265-L269 HydrophobicContact CG2-CD2 4.49Å; T265-L269 WeakPolarHBondContact O-CD2 3.35Å; T265-L269 WeakPolarHBondContact O-CG 3.31Å; T265-L269 PolarHBondContact O-N 3.37Å
266N91.1Very high93.3Very high13 Ų1343.5 Ų43.57%0.0722%0.221CC..Hα-helixtrans-63.3-39.3178.6-165.719.9000112.1M16 F173 F174 A262 L263 L269 L270M16-N266 HydrophobicContact CE-CB 4Å; M16-N266 VanDerWaalsContact CE-ND2 3.32Å; M16-N266 WeakPolarHBondContact CE-ND2 2.86Å; F173-N266 WeakPolarHBondContact CZ-OD1 3.47Å; F174-N266 HydrophobicContact CE1-CB 4.42Å; A262-N266 VanDerWaalsContact O-CB 3.26Å; A262-N266 WeakPolarHBondContact O-CB 3.45Å; A262-N266 PolarHBondContact O-N 3.04Å; L263-N266 WeakPolarHBondContact O-CB 3.35Å; L263-N266 PolarHBondContact O-N 2.89Å; L263-N266 VanDerWaalsContact O-N 3.12Å; N266-L269 WeakPolarHBondContact O-CG 3.33Å; N266-L270 WeakPolarHBondContact O-CB 3.37Å; N266-L270 WeakPolarHBondContact O-CD1 3.37Å; N266-L270 VanDerWaalsContact O-CG 3.3Å; N266-L270 WeakPolarHBondContact O-CG 3.31Å; N266-L270 PolarHBondContact O-N 3.47Å; N266-L270 VanDerWaalsContact O-N 3.08Å
267I93Very high93.6Very high47 Ų4738.4 Ų38.424%0.24120%0.197CC..Hα-helixtrans-63.9-47.4173.2-64.7171.4000110.2M16 T24 L263 K264 T265 L269 L270 K271M16-I267 HydrophobicContact CE-CG1 3.79Å; M16-I267 HydrophobicContact SD-CG1 4.13Å; T24-I267 HydrophobicContact CG2-CB 4.48Å; T24-I267 HydrophobicContact CG2-CG1 4.07Å; T24-I267 HydrophobicContact CG2-CG2 4.29Å; T24-I267 WeakPolarHBondContact OG1-CG1 3.36Å; L263-I267 HydrophobicContact CD1-CD1 4.25Å; L263-I267 HydrophobicContact CD1-CG1 4.37Å; L263-I267 HydrophobicContact CG-CD1 4.13Å; L263-I267 WeakPolarHBondContact O-CG1 3.4Å; L263-I267 PolarHBondContact O-N 3.49Å; K264-I267 PolarHBondContact O-N 2.79Å; T265-I267 VanDerWaalsContact C-N 3.34Å; T265-I267 PolarHBondContact O-N 2.81Å; I267-L269 PolarHBondContact O-N 3.33Å; I267-L270 PolarHBondContact O-N 3.38Å; I267-K271 WeakPolarHBondContact O-CG 3.48Å; I267-K271 PolarHBondContact O-N 3.12Å; I267-K271 VanDerWaalsContact O-N 3.11Å
268A94.8Very high93.8Very high39 Ų3936 Ų3632%0.32219%0.185SC..Hα-helixtrans-63.5-43-177.900000112.9P215 K264 T265 N272P215-A268 HydrophobicContact CG-CB 4.24Å; K264-A268 PolarHBondContact O-N 3.06Å; K264-A268 VanDerWaalsContact O-N 3.08Å; T265-A268 PolarHBondContact O-N 2.89Å; A268-N272 WeakPolarHBondContact O-CB 3.39Å; A268-N272 PolarHBondContact O-N 2.9Å
269L95.3Very high94.2Very high0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-67.8-38.1176.670.186.2000111.6G107 A139 F173 P214 T265 N266 I267 K271 N272 N273G107-L269 WeakPolarHBondContact O-CD1 3.45Å; A139-L269 HydrophobicContact CB-CB 4.3Å; A139-L269 HydrophobicContact CB-CD1 3.99Å; A139-L269 HydrophobicContact CB-CD2 4.42Å; A139-L269 HydrophobicContact CB-CG 4.45Å; F173-L269 HydrophobicContact CD2-CD1 4.45Å; F173-L269 HydrophobicContact CD2-CD2 4.34Å; F173-L269 HydrophobicContact CE2-CD1 3.93Å; F173-L269 HydrophobicContact CE2-CD2 4.16Å; F173-L269 HydrophobicContact CZ-CD2 4.39Å; F173-L269 WeakPolarHBondContact O-CD2 3.46Å; P214-L269 HydrophobicContact CB-CB 4.08Å; T265-L269 HydrophobicContact CG2-CD2 4.49Å; T265-L269 WeakPolarHBondContact O-CD2 3.35Å; T265-L269 WeakPolarHBondContact O-CG 3.31Å; T265-L269 PolarHBondContact O-N 3.37Å; N266-L269 WeakPolarHBondContact O-CG 3.33Å; I267-L269 PolarHBondContact O-N 3.33Å; L269-K271 VanDerWaalsContact C-N 3.34Å; L269-K271 PolarHBondContact O-N 3.05Å; L269-N272 PolarHBondContact O-N 3.13Å; L269-N273 WeakPolarHBondContact O-CB 3.48Å; L269-N273 PolarHBondContact O-N 3.11Å; L269-N273 PolarHBondContact O-ND2 3.48Å; L269-N273 PolarHBondContact O-OD1 3.07Å; L269-N273 VanDerWaalsContact O-OD1 3.13Å
270L96.3Very high94.6Very high8 Ų831.3 Ų31.34%0.04216%0.159CC..Hα-helixtrans-61.5-44.5178.3-86.1164.7000111.3V11 M16 T24 V28 G107 N266 I267 N273 A274V11-L270 HydrophobicContact CG1-CD1 3.64Å; V11-L270 HydrophobicContact CG2-CD2 4.43Å; M16-L270 HydrophobicContact CE-CD1 3.55Å; T24-L270 HydrophobicContact CG2-CD1 3.97Å; V28-L270 HydrophobicContact CG2-CB 3.84Å; G107-L270 VanDerWaalsContact N-CD2 3.26Å; N266-L270 WeakPolarHBondContact O-CB 3.37Å; N266-L270 WeakPolarHBondContact O-CD1 3.37Å; N266-L270 VanDerWaalsContact O-CG 3.3Å; N266-L270 WeakPolarHBondContact O-CG 3.31Å; N266-L270 PolarHBondContact O-N 3.47Å; N266-L270 VanDerWaalsContact O-N 3.08Å; I267-L270 PolarHBondContact O-N 3.38Å; L270-N273 PolarHBondContact O-N 2.94Å; L270-A274 WeakPolarHBondContact O-CB 3.4Å; L270-A274 PolarHBondContact O-N 3.15Å
271K97.6Very high95Very high74 Ų7430.1 Ų30.132%0.32215%0.146SC..Hα-helixtrans-61.4-43.9174.2-70.6-171.868.3-178.10112.3A27 E31 I267 L269 A274 R275A27-K271 HydrophobicContact CB-CD 4.44Å; E31-K271 HydrophobicContact CG-CB 4.1Å; E31-K271 HydrophobicContact CG-CG 4.26Å; E31-K271 WeakPolarHBondContact OE1-CE 3.47Å; E31-K271 IonicContact OE1-NZ 3.5Å; E31-K271 PolarHBondContact OE1-NZ 3.45Å; I267-K271 WeakPolarHBondContact O-CG 3.48Å; I267-K271 PolarHBondContact O-N 3.12Å; I267-K271 VanDerWaalsContact O-N 3.11Å; L269-K271 VanDerWaalsContact C-N 3.34Å; L269-K271 PolarHBondContact O-N 3.05Å; K271-A274 WeakPolarHBondContact O-CB 3.5Å; K271-A274 PolarHBondContact O-N 3.47Å; K271-R275 PolarHBondContact O-N 3.02Å; K271-R275 VanDerWaalsContact O-N 3.08Å
272N97.6Very high95.3Very high22 Ų2229.2 Ų29.212%0.11815%0.145CC..Hα-helixtrans-62.2-45.3178.1-173.648.8000111.8V212 P213 P215 A268 L269 A274 R275 V276V212-N272 VanDerWaalsContact CG1-ND2 3.3Å; V212-N272 WeakPolarHBondContact CG1-ND2 3.42Å; P213-N272 PolarHBondContact O-ND2 3.15Å; P215-N272 HydrophobicContact CG-CB 4.35Å; A268-N272 WeakPolarHBondContact O-CB 3.39Å; A268-N272 PolarHBondContact O-N 2.9Å; L269-N272 PolarHBondContact O-N 3.13Å; N272-A274 VanDerWaalsContact C-N 3.32Å; N272-A274 PolarHBondContact O-N 3.03Å; N272-R275 PolarHBondContact O-N 2.83Å; N272-R275 PolarHBondContact OD1-NH2 3.4Å; N272-V276 WeakPolarHBondContact O-CG2 3.37Å; N272-V276 PolarHBondContact O-N 2.99Å; N272-V276 VanDerWaalsContact O-N 3.08Å
273N98.2Very high95.6Very high0 Ų034.2 Ų34.20%016%0.163CC..Hα-helixtrans-62.9-40.3177.4-61.7-7.6000111C105 T106 G107 C138 A139 L269 L270 V276 A277C105-N273 VanDerWaalsContact SG-C 3.52Å; T106-N273 PolarHBondContact O-ND2 2.74Å; G107-N273 PolarHBondContact O-ND2 2.9Å; C138-N273 WeakPolarHBondContact CA-ND2 3.37Å; A139-N273 PolarHBondContact N-ND2 2.97Å; A139-N273 VanDerWaalsContact N-ND2 3.11Å; L269-N273 WeakPolarHBondContact O-CB 3.48Å; L269-N273 PolarHBondContact O-N 3.11Å; L269-N273 PolarHBondContact O-ND2 3.48Å; L269-N273 PolarHBondContact O-OD1 3.07Å; L269-N273 VanDerWaalsContact O-OD1 3.13Å; L270-N273 PolarHBondContact O-N 2.94Å; N273-V276 PolarHBondContact O-N 2.91Å; N273-A277 WeakPolarHBondContact O-CB 3.4Å; N273-A277 PolarHBondContact O-N 3.2Å
274A98.3Very high95.8Very high0 Ų033.2 Ų33.20%016%0.158CC..Hα-helixtrans-61.4-46.1178.500000112.1V28 E31 V32 C105 L270 K271 N272 A277 S278V28-A274 HydrophobicContact CG1-CB 3.91Å; E31-A274 HydrophobicContact CB-CB 3.96Å; V32-A274 HydrophobicContact CG2-CB 4.06Å; C105-A274 VanDerWaalsContact SG-CA 3.56Å; C105-A274 PolarHBondContact SG-N 3.25Å; C105-A274 VanDerWaalsContact SG-N 3.41Å; L270-A274 WeakPolarHBondContact O-CB 3.4Å; L270-A274 PolarHBondContact O-N 3.15Å; K271-A274 WeakPolarHBondContact O-CB 3.5Å; K271-A274 PolarHBondContact O-N 3.47Å; N272-A274 VanDerWaalsContact C-N 3.32Å; N272-A274 PolarHBondContact O-N 3.03Å; A274-A277 PolarHBondContact O-N 3.17Å; A274-S278 PolarHBondContact O-N 3.43Å; A274-S278 PolarHBondContact O-OG 3.14Å; A274-S278 VanDerWaalsContact O-OG 3.1Å
275R98.1Very high95.8Very high125 Ų12529.9 Ų29.947%0.47214%0.144SC..Hα-helixtrans-60.6-45.6175.3179.9-178.363.7161.9-1112.3K271 N272 S278 N279K271-R275 PolarHBondContact O-N 3.02Å; K271-R275 VanDerWaalsContact O-N 3.08Å; N272-R275 PolarHBondContact O-N 2.83Å; N272-R275 PolarHBondContact OD1-NH2 3.4Å; R275-S278 WeakPolarHBondContact CA-OG 3.36Å; R275-S278 PolarHBondContact O-N 3.43Å; R275-S278 PolarHBondContact O-OG 3.1Å; R275-N279 VanDerWaalsContact O-CG 3.24Å; R275-N279 PolarHBondContact O-N 2.79Å; R275-N279 VanDerWaalsContact O-N 3.12Å; R275-N279 PolarHBondContact O-ND2 2.94Å; R275-N279 PolarHBondContact O-OD1 3.48Å
276V98.2Very high95.6Very high4 Ų433.5 Ų33.52%0.02416%0.163CC..Hα-helixtrans-65.5-42.6177.3171.50000110.7V137 L164 E189 V212 N272 N273 S278 N279 I280V137-V276 HydrophobicContact CG1-CB 4.36Å; V137-V276 HydrophobicContact CG1-CG1 4.07Å; L164-V276 HydrophobicContact CD2-CG1 3.92Å; L164-V276 HydrophobicContact CD2-CG2 3.9Å; E189-V276 HydrophobicContact CG-CG1 4.05Å; V212-V276 HydrophobicContact CG1-CB 4.48Å; V212-V276 HydrophobicContact CG1-CG2 3.91Å; V212-V276 HydrophobicContact CG2-CB 4.13Å; V212-V276 HydrophobicContact CG2-CG1 3.75Å; V212-V276 HydrophobicContact CG2-CG2 4.4Å; N272-V276 WeakPolarHBondContact O-CG2 3.37Å; N272-V276 PolarHBondContact O-N 2.99Å; N272-V276 VanDerWaalsContact O-N 3.08Å; N273-V276 PolarHBondContact O-N 2.91Å; V276-S278 PolarHBondContact O-N 3.38Å; V276-N279 PolarHBondContact O-N 2.76Å; V276-I280 HydrophobicContact CG1-CD1 3.68Å; V276-I280 HydrophobicContact CG1-CG1 4.36Å; V276-I280 WeakPolarHBondContact O-CG1 3.48Å; V276-I280 PolarHBondContact O-N 2.97Å
277A98.6Very high95.2Very high0 Ų035.3 Ų35.30%017%0.172CC..Hα-helixtrans-63.4-39.8178.300000112.6V5 V103 C105 V137 N273 A274 I280 A281V5-A277 HydrophobicContact CG1-CB 3.96Å; V103-A277 HydrophobicContact CG1-CB 4.16Å; C105-A277 HydrophobicContact CB-CB 3.64Å; V137-A277 HydrophobicContact CB-CB 3.89Å; V137-A277 HydrophobicContact CG1-CB 4.05Å; V137-A277 HydrophobicContact CG2-CB 3.93Å; N273-A277 WeakPolarHBondContact O-CB 3.4Å; N273-A277 PolarHBondContact O-N 3.2Å; A274-A277 PolarHBondContact O-N 3.17Å; A277-I280 PolarHBondContact O-N 3.39Å; A277-A281 VanDerWaalsContact O-CB 3.24Å; A277-A281 WeakPolarHBondContact O-CB 3.36Å; A277-A281 PolarHBondContact O-N 2.81Å
278S98.1Very high94.5Very high0 Ų034.3 Ų34.30%017%0.173CC..Hα-helixtrans-64.5-42174.549.20000112.2A274 R275 V276 A281 A282A274-S278 PolarHBondContact O-N 3.43Å; A274-S278 PolarHBondContact O-OG 3.14Å; A274-S278 VanDerWaalsContact O-OG 3.1Å; R275-S278 WeakPolarHBondContact CA-OG 3.36Å; R275-S278 PolarHBondContact O-N 3.43Å; R275-S278 PolarHBondContact O-OG 3.1Å; V276-S278 PolarHBondContact O-N 3.38Å; S278-A281 PolarHBondContact O-N 3.21Å; S278-A282 WeakPolarHBondContact O-CB 3.45Å; S278-A282 PolarHBondContact O-N 3.08Å
279N97.6Very high93.3Very high55 Ų5537.5 Ų37.529%0.29419%0.191SC..Hα-helixtrans-62.3-47.3176.9-69.6-11.5000111.1E189 R275 V276 A281 A282 R283E189-N279 HydrophobicContact CB-CB 4.12Å; E189-N279 HydrophobicContact CG-CB 3.96Å; E189-N279 PolarHBondContact OE1-ND2 2.74Å; R275-N279 VanDerWaalsContact O-CG 3.24Å; R275-N279 PolarHBondContact O-N 2.79Å; R275-N279 VanDerWaalsContact O-N 3.12Å; R275-N279 PolarHBondContact O-ND2 2.94Å; R275-N279 PolarHBondContact O-OD1 3.48Å; V276-N279 PolarHBondContact O-N 2.76Å; N279-A281 PolarHBondContact O-N 3.5Å; N279-A282 PolarHBondContact O-N 3.27Å; N279-R283 WeakPolarHBondContact O-CG 3.44Å; N279-R283 PolarHBondContact O-N 3.36Å
280I97.9Very high91.7Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-60.7-46.1176.5-67.9167000110.6V103 V137 E189 I192 A193 I196 V210 V276 A277 A282 R283 L284V103-I280 HydrophobicContact CG2-CG2 4.3Å; V137-I280 HydrophobicContact CG2-CD1 3.99Å; E189-I280 HydrophobicContact CB-CG1 3.8Å; E189-I280 HydrophobicContact CG-CG1 4.04Å; I192-I280 HydrophobicContact CB-CD1 4.31Å; I192-I280 HydrophobicContact CB-CG1 4.42Å; I192-I280 HydrophobicContact CD1-CD1 4.39Å; I192-I280 HydrophobicContact CG2-CD1 3.73Å; I192-I280 HydrophobicContact CG2-CG1 4.18Å; I192-I280 HydrophobicContact CG2-CG2 4.37Å; A193-I280 HydrophobicContact CB-CG2 4.38Å; I196-I280 HydrophobicContact CD1-CG2 3.58Å; V210-I280 HydrophobicContact CG1-CD1 3.96Å; V276-I280 HydrophobicContact CG1-CD1 3.68Å; V276-I280 HydrophobicContact CG1-CG1 4.36Å; V276-I280 WeakPolarHBondContact O-CG1 3.48Å; V276-I280 PolarHBondContact O-N 2.97Å; A277-I280 PolarHBondContact O-N 3.39Å; I280-A282 VanDerWaalsContact C-N 3.35Å; I280-A282 PolarHBondContact O-N 3.4Å; I280-R283 PolarHBondContact O-N 3Å; I280-L284 VanDerWaalsContact O-CB 3.23Å; I280-L284 WeakPolarHBondContact O-CB 3.47Å; I280-L284 PolarHBondContact O-N 3.19Å
281A97.3Very high89.7Confident4 Ų443 Ų433%0.03323%0.229CC..Hα-helixtrans-63.5-39.7-179.500000112.2P3 V5 V103 A277 S278 N279 F285P3-A281 HydrophobicContact CB-CB 4.14Å; P3-A281 WeakPolarHBondContact CB-O 3.45Å; V5-A281 HydrophobicContact CG2-CB 3.62Å; V103-A281 HydrophobicContact CB-CB 4.21Å; V103-A281 HydrophobicContact CG2-CB 4.08Å; A277-A281 VanDerWaalsContact O-CB 3.24Å; A277-A281 WeakPolarHBondContact O-CB 3.36Å; A277-A281 PolarHBondContact O-N 2.81Å; S278-A281 PolarHBondContact O-N 3.21Å; N279-A281 PolarHBondContact O-N 3.5Å; A281-F285 VanDerWaalsContact O-CB 3.25Å; A281-F285 WeakPolarHBondContact O-CB 3.46Å; A281-F285 PolarHBondContact O-N 3.4Å
282A94.5Very high87.2Confident22 Ų2244.7 Ų44.718%0.18225%0.25CC..Hα-helixtrans-63.2-49.9175.300000111.8P3 S278 N279 I280 L284 F285 D286P3-A282 HydrophobicContact CG-CB 4.15Å; S278-A282 WeakPolarHBondContact O-CB 3.45Å; S278-A282 PolarHBondContact O-N 3.08Å; N279-A282 PolarHBondContact O-N 3.27Å; I280-A282 VanDerWaalsContact C-N 3.35Å; I280-A282 PolarHBondContact O-N 3.4Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.49Å; A282-F285 WeakPolarHBondContact O-CB 3.46Å; A282-F285 PolarHBondContact O-N 3.06Å; A282-F285 VanDerWaalsContact O-N 3.15Å; A282-D286 PolarHBondContact O-N 3.34Å
283R94.6Very high84.7Confident108 Ų10845.9 Ų45.941%0.40826%0.263SS..Hα-helixtrans-63-39.8177.2-64.2-56.5-174.883.83.7112.3E190 A193 N279 I280 F285 D286 L287E190-R283 VanDerWaalsContact CB-NH1 3.32Å; E190-R283 VanDerWaalsContact CD-NH1 3.28Å; E190-R283 VanDerWaalsContact CG-NH1 3.28Å; E190-R283 IonicContact OE2-CZ 3.62Å; E190-R283 IonicContact OE2-NH1 3.26Å; E190-R283 PolarHBondContact OE2-NH1 3.42Å; A193-R283 HydrophobicContact CB-CB 3.54Å; N279-R283 WeakPolarHBondContact O-CG 3.44Å; N279-R283 PolarHBondContact O-N 3.36Å; I280-R283 PolarHBondContact O-N 3Å; R283-F285 VanDerWaalsContact C-N 3.3Å; R283-F285 PolarHBondContact O-N 3.14Å; R283-D286 PolarHBondContact O-N 3.17Å; R283-L287 WeakPolarHBondContact O-CG 3.35Å; R283-L287 PolarHBondContact O-N 2.7Å; R283-L287 VanDerWaalsContact O-N 3.16Å
284L92.8Very high82.2Confident8 Ų849.8 Ų49.84%0.04229%0.29CS..Hα-helixtrans-65.4-35.5176.3-177.662.2000111.8P102 V103 A193 I196 I280 A282 L287P102-L284 HydrophobicContact CB-CD2 3.81Å; P102-L284 HydrophobicContact CG-CD2 3.71Å; V103-L284 HydrophobicContact CG2-CD2 4.02Å; A193-L284 HydrophobicContact CB-CB 4.31Å; I196-L284 HydrophobicContact CB-CD1 4.47Å; I196-L284 HydrophobicContact CG2-CD1 4.19Å; I196-L284 HydrophobicContact CG2-CD2 3.76Å; I280-L284 VanDerWaalsContact O-CB 3.23Å; I280-L284 WeakPolarHBondContact O-CB 3.47Å; I280-L284 PolarHBondContact O-N 3.19Å; A282-L284 VanDerWaalsContact C-N 3.33Å; A282-L284 PolarHBondContact O-N 3.49Å; L284-L287 PolarHBondContact O-N 3.36Å
285F90.8Very high79.6Confident89 Ų8958.2 Ų58.239%0.3933%0.327SS..Hα-helixtrans-66-41.4175-178-91.2000111.7M1 P3 A281 A282 R283 L287 G288M1-F285 VanDerWaalsContact C-CZ 3.48Å; M1-F285 HydrophobicContact CB-CE2 3.95Å; M1-F285 HydrophobicContact CB-CZ 3.83Å; M1-F285 WeakPolarHBondContact O-CE1 3.33Å; M1-F285 WeakPolarHBondContact O-CZ 3.42Å; P3-F285 HydrophobicContact CB-CB 3.82Å; P3-F285 HydrophobicContact CB-CD2 4.45Å; P3-F285 HydrophobicContact CB-CG 4.17Å; P3-F285 HydrophobicContact CG-CB 4.4Å; A281-F285 VanDerWaalsContact O-CB 3.25Å; A281-F285 WeakPolarHBondContact O-CB 3.46Å; A281-F285 PolarHBondContact O-N 3.4Å; A282-F285 WeakPolarHBondContact O-CB 3.46Å; A282-F285 PolarHBondContact O-N 3.06Å; A282-F285 VanDerWaalsContact O-N 3.15Å; R283-F285 VanDerWaalsContact C-N 3.3Å; R283-F285 PolarHBondContact O-N 3.14Å; F285-L287 VanDerWaalsContact C-N 3.27Å; F285-L287 PolarHBondContact O-N 3.33Å; F285-G288 PolarHBondContact O-N 3.24Å; F285-G288 VanDerWaalsContact O-N 3.09Å
286D86.5Confident77.2Confident85 Ų8558.9 Ų58.946%0.45534%0.339SS..Hα-helixtrans-64.3-29.8176.3-64.7-27.1000112.9A282 R283 G288A282-D286 PolarHBondContact O-N 3.34Å; R283-D286 PolarHBondContact O-N 3.17Å; D286-G288 PolarHBondContact O-N 3.47Å
287L83.9Confident74.5Confident51 Ų5167.1 Ų67.127%0.26737%0.369SS..THydrogen-bonded Turntrans-72.6-10.7175-69176.3000114R283 L284 F285 F308R283-L287 WeakPolarHBondContact O-CG 3.35Å; R283-L287 PolarHBondContact O-N 2.7Å; R283-L287 VanDerWaalsContact O-N 3.16Å; L284-L287 PolarHBondContact O-N 3.36Å; F285-L287 VanDerWaalsContact C-N 3.27Å; F285-L287 PolarHBondContact O-N 3.33Å; L287-F308 HydrophobicContact CD1-CD1 3.78Å; L287-F308 HydrophobicContact CD1-CE1 3.76Å; L287-F308 HydrophobicContact CD2-CD1 3.67Å; L287-F308 HydrophobicContact CD2-CE1 4.35Å; L287-F308 HydrophobicContact CG-CD1 4.34Å
288G77.8Confident71.7Confident26 Ų2675.6 Ų75.627%0.26841%0.414SS..  trans74.5169.2-179.100000114.5F285 D286F285-G288 PolarHBondContact O-N 3.24Å; F285-G288 VanDerWaalsContact O-N 3.09Å; D286-G288 PolarHBondContact O-N 3.47Å
289P69Low69Low106 Ų10683.8 Ų83.869%0.68845%0.452SS*.SBendtrans-64.6153.1173.128.6-33.4000110.4S291P289-S291 PolarHBondContact O-N 3.11Å; P289-S291 VanDerWaalsContact O-N 3.07Å
290P62.5Low66.5Low45 Ų4592.9 Ų92.929%0.29248%0.482SS..PPolyproline II helixtrans-55.5121.7169.723.7-31.3000108.5K201 S292K201-P290 HydrophobicContact CG-CB 3.93Å; P290-S292 PolarHBondContact O-N 3.26Å
291S52.8Low63.5Low80 Ų80100.1 Ų100.156%0.55952%0.521SS*.PPolyproline II helixtrans-55.9126.2170.8490000107.7P289 A293P289-S291 PolarHBondContact O-N 3.11Å; P289-S291 VanDerWaalsContact O-N 3.07Å; S291-A293 PolarHBondContact O-N 2.91Å; S291-A293 VanDerWaalsContact O-N 3.13Å
292S46.8Very low60.9Low108 Ų108109.3 Ų109.376%0.75556%0.561SS**THydrogen-bonded Turntrans-41.5119.7178.934.30000111P290 S294P290-S292 PolarHBondContact O-N 3.26Å; S292-S294 PolarHBondContact O-N 2.93Å
293A45Very low57.9Low47 Ų47113.3 Ų113.339%0.38859%0.587SS.*THydrogen-bonded Turntrans15.186.9175.300000114.3S291 F295S291-A293 PolarHBondContact O-N 2.91Å; S291-A293 VanDerWaalsContact O-N 3.13Å; A293-F295 HydrophobicContact CB-CE2 4.4Å; A293-F295 PolarHBondContact O-N 3.22Å
294S44.7Very low55.3Low83 Ų83112.2 Ų112.258%0.5859%0.592SS**  trans-6591.815449.80000106.6S292 I296S292-S294 PolarHBondContact O-N 2.93Å; S294-I296 PolarHBondContact O-N 2.86Å; S294-I296 VanDerWaalsContact O-N 3.12Å
295F43.3Very low52.8Low177 Ų177116.4 Ų116.478%0.77662%0.615SS**  trans-49.9123.2169.7-72.2-86.9000107.7A293 R297A293-F295 HydrophobicContact CB-CE2 4.4Å; A293-F295 PolarHBondContact O-N 3.22Å; F295-R297 VanDerWaalsContact C-N 3.27Å; F295-R297 PolarHBondContact O-N 2.94Å
296I48Very low50.4Low139 Ų139116.7 Ų116.771%0.71362%0.616SS**  trans-61.398.6164.4-62.5175.4000105.3S294 L298S294-I296 PolarHBondContact O-N 2.86Å; S294-I296 VanDerWaalsContact O-N 3.12Å; I296-L298 PolarHBondContact O-N 3.41Å
297R41.9Very low48.1Very low176 Ų176122.1 Ų122.166%0.66463%0.63SS**  trans-69.8122.2174.1-75.4-171.1178.9-176.42.7107.4F295 Q299 D375F295-R297 VanDerWaalsContact C-N 3.27Å; F295-R297 PolarHBondContact O-N 2.94Å; R297-Q299 PolarHBondContact O-N 3.34Å; R297-D375 IonicContact NH2-OD1 2.78Å; R297-D375 IonicContact NH2-OD2 2.89Å; R297-D375 PolarHBondContact NH2-OD2 3.12Å
298L39.8Very low46Very low178 Ų178122.9 Ų122.993%0.93263%0.631SS**  trans-68.176.3170.7-86.9156.6000110.1I296I296-L298 PolarHBondContact O-N 3.41Å
299Q40.5Very low44.2Very low172 Ų172126.9 Ų126.980%0.80465%0.646SS**  trans-142.6144.5166.3-77.7-166.2-24.200112R297 D301R297-Q299 PolarHBondContact O-N 3.34Å; Q299-D301 PolarHBondContact O-N 2.81Å
300R45.1Very low42.7Very low247 Ų247129.8 Ų129.893%0.93265%0.648SS**THydrogen-bonded Turntrans-71.2-10.8-151.9-94.2-178.5173.6170.9-1.9117.7
301D36.7Very low41.9Very low152 Ų152131.7 Ų131.781%0.81366%0.663SS**THydrogen-bonded Turntrans-137.145.2-167.5-67.5-49000115.4Q299Q299-D301 PolarHBondContact O-N 2.81Å
302F41Very low41.9Very low197 Ų197129.7 Ų129.786%0.86465%0.649SS**  trans-142.2123.7159-124.8-94000111.6
303S33.4Very low43.3Very low106 Ų106128 Ų12874%0.74164%0.637SS**  trans-74.1128167.148.30000108.6D305S303-D305 PolarHBondContact O-N 2.86Å
304V39Very low45.6Very low84 Ų84126.7 Ų126.751%0.50962%0.622SS.*  trans-74.4108.3170.8-176.20000106.7F306V304-F306 HydrophobicContact CB-CD2 4.33Å; V304-F306 HydrophobicContact CB-CE2 3.76Å; V304-F306 HydrophobicContact CB-CZ 3.92Å; V304-F306 HydrophobicContact CG1-CD1 4.15Å; V304-F306 HydrophobicContact CG1-CD2 4.2Å; V304-F306 HydrophobicContact CG1-CE1 3.72Å; V304-F306 HydrophobicContact CG1-CE2 3.76Å; V304-F306 HydrophobicContact CG1-CG 4.39Å; V304-F306 HydrophobicContact CG1-CZ 3.51Å; V304-F306 VanDerWaalsContact O-CD2 3.27Å; V304-F306 WeakPolarHBondContact O-CD2 3.5Å; V304-F306 PolarHBondContact O-N 2.93Å
305D40.4Very low48Very low96 Ų96124.4 Ų124.451%0.51360%0.604SS.*  trans-75.3103.9175.7-162.3-13000109.1S303 R307S303-D305 PolarHBondContact O-N 2.86Å; D305-R307 VanDerWaalsContact C-N 3.27Å; D305-R307 WeakPolarHBondContact OD1-CB 3.37Å; D305-R307 WeakPolarHBondContact OD1-CG 3.26Å; D305-R307 IonicContact OD1-CZ 2.76Å; D305-R307 PolarHBondContact OD1-N 3.22Å; D305-R307 VanDerWaalsContact OD1-N 3.09Å; D305-R307 IonicContact OD1-NE 2.79Å; D305-R307 PolarHBondContact OD1-NE 2.78Å; D305-R307 IonicContact OD1-NH2 3.14Å; D305-R307 IonicContact OD2-CZ 2.76Å; D305-R307 VanDerWaalsContact OD2-CZ 3.29Å; D305-R307 IonicContact OD2-NE 3.95Å; D305-R307 PolarHBondContact OD2-NE 3.19Å; D305-R307 VanDerWaalsContact OD2-NE 3.07Å; D305-R307 IonicContact OD2-NH2 3.97Å; D305-R307 PolarHBondContact OD2-NH2 3.17Å
306F41.2Very low50.6Low95 Ų95116 Ų11642%0.41757%0.567SS.*  trans-86.79.6176.4-65.6-76.8000113L198 L202 V304 F308L198-F306 HydrophobicContact CD1-CB 4.01Å; L198-F306 HydrophobicContact CD1-CD1 3.34Å; L198-F306 HydrophobicContact CD1-CE1 4.02Å; L198-F306 HydrophobicContact CD1-CG 3.92Å; L198-F306 HydrophobicContact CD2-CB 4.33Å; L202-F306 HydrophobicContact CD2-CE1 4.19Å; L202-F306 HydrophobicContact CD2-CZ 4.19Å; V304-F306 HydrophobicContact CB-CD2 4.33Å; V304-F306 HydrophobicContact CB-CE2 3.76Å; V304-F306 HydrophobicContact CB-CZ 3.92Å; V304-F306 HydrophobicContact CG1-CD1 4.15Å; V304-F306 HydrophobicContact CG1-CD2 4.2Å; V304-F306 HydrophobicContact CG1-CE1 3.72Å; V304-F306 HydrophobicContact CG1-CE2 3.76Å; V304-F306 HydrophobicContact CG1-CG 4.39Å; V304-F306 HydrophobicContact CG1-CZ 3.51Å; V304-F306 VanDerWaalsContact O-CD2 3.27Å; V304-F306 WeakPolarHBondContact O-CD2 3.5Å; V304-F306 PolarHBondContact O-N 2.93Å; F306-F308 PolarHBondContact O-N 2.85Å
307R36.5Very low53Low200 Ų200109.4 Ų109.476%0.75553%0.533SS*.  trans-63.6127.6175.2-73.3179.8-77.4-173.5-1.3109.9D305 D309D305-R307 VanDerWaalsContact C-N 3.27Å; D305-R307 WeakPolarHBondContact OD1-CB 3.37Å; D305-R307 WeakPolarHBondContact OD1-CG 3.26Å; D305-R307 IonicContact OD1-CZ 2.76Å; D305-R307 PolarHBondContact OD1-N 3.22Å; D305-R307 VanDerWaalsContact OD1-N 3.09Å; D305-R307 IonicContact OD1-NE 2.79Å; D305-R307 PolarHBondContact OD1-NE 2.78Å; D305-R307 IonicContact OD1-NH2 3.14Å; D305-R307 IonicContact OD2-CZ 2.76Å; D305-R307 VanDerWaalsContact OD2-CZ 3.29Å; D305-R307 IonicContact OD2-NE 3.95Å; D305-R307 PolarHBondContact OD2-NE 3.19Å; D305-R307 VanDerWaalsContact OD2-NE 3.07Å; D305-R307 IonicContact OD2-NH2 3.97Å; D305-R307 PolarHBondContact OD2-NH2 3.17Å; R307-D309 PolarHBondContact O-N 2.82Å; R307-D309 VanDerWaalsContact O-N 3.1Å
308F40.3Very low55.8Low66 Ų66101 Ų10129%0.28950%0.501SS..  trans-60.1112.3171.2-73.7-83.5000108.6A194 L198 L287 F306 K310A194-F308 VanDerWaalsContact CA-CZ 3.41Å; A194-F308 HydrophobicContact CB-CD1 3.99Å; A194-F308 HydrophobicContact CB-CD2 3.4Å; A194-F308 VanDerWaalsContact CB-CD2 3.4Å; A194-F308 HydrophobicContact CB-CE1 3.98Å; A194-F308 HydrophobicContact CB-CE2 3.38Å; A194-F308 HydrophobicContact CB-CG 3.75Å; A194-F308 HydrophobicContact CB-CZ 3.7Å; A194-F308 WeakPolarHBondContact O-CE2 3.48Å; A194-F308 WeakPolarHBondContact O-CZ 3.35Å; L198-F308 HydrophobicContact CB-CE2 4.19Å; L198-F308 HydrophobicContact CB-CZ 3.82Å; L287-F308 HydrophobicContact CD1-CD1 3.78Å; L287-F308 HydrophobicContact CD1-CE1 3.76Å; L287-F308 HydrophobicContact CD2-CD1 3.67Å; L287-F308 HydrophobicContact CD2-CE1 4.35Å; L287-F308 HydrophobicContact CG-CD1 4.34Å; F306-F308 PolarHBondContact O-N 2.85Å; F308-K310 VanDerWaalsContact C-N 3.3Å; F308-K310 PolarHBondContact O-N 3.06Å
309D39.9Very low58.6Low110 Ų11092.5 Ų92.559%0.58846%0.457SS*.  trans-62.5102.3164.2-149.125.2000105R307 S311 S312R307-D309 PolarHBondContact O-N 2.82Å; R307-D309 VanDerWaalsContact O-N 3.1Å; D309-S311 PolarHBondContact O-N 2.59Å; D309-S312 PolarHBondContact OD2-OG 3.11Å
310K38.7Very low61.3Low167 Ų16784.3 Ų84.373%0.72642%0.418SS*.  trans-39.8119.6167.2-85.2179.5172.7179.60105.3F308 S312F308-K310 VanDerWaalsContact C-N 3.3Å; F308-K310 PolarHBondContact O-N 3.06Å; K310-S312 WeakPolarHBondContact O-CA 3.27Å; K310-S312 WeakPolarHBondContact O-CB 3.41Å; K310-S312 PolarHBondContact O-N 2.96Å
311S43.9Very low63.8Low85 Ų8572.6 Ų72.659%0.59437%0.374SS*.  trans-2589.7-179.158.20000109.9D309 S313D309-S311 PolarHBondContact O-N 2.59Å; S311-S313 PolarHBondContact O-N 3.07Å
312S53.2Low66.7Low38 Ų3865.4 Ų65.427%0.26634%0.336SS..  trans-76.4105.1-160.532.30000103.6D309 K310 Y314D309-S312 PolarHBondContact OD2-OG 3.11Å; K310-S312 WeakPolarHBondContact O-CA 3.27Å; K310-S312 WeakPolarHBondContact O-CB 3.41Å; K310-S312 PolarHBondContact O-N 2.96Å; S312-Y314 VanDerWaalsContact C-N 3.33Å; S312-Y314 WeakPolarHBondContact O-CD2 3.36Å; S312-Y314 WeakPolarHBondContact O-CE2 3.22Å; S312-Y314 PolarHBondContact O-N 3.1Å; S312-Y314 WeakPolarHBondContact OG-CE2 3.35Å; S312-Y314 PolarHBondContact OG-OH 2.95Å; S312-Y314 VanDerWaalsContact OG-OH 3.11Å
313S77.7Confident69.3Low73 Ų7356.3 Ų56.351%0.5130%0.297SS..  trans-66.2102.5174.5-170.60000105.4S311 S366 N441S311-S313 PolarHBondContact O-N 3.07Å; S313-S366 PolarHBondContact O-OG 3.35Å; S313-N441 PolarHBondContact OG-O 3.02Å
314Y92.3Very high72.3Confident19 Ų1951.4 Ų51.48%0.07526%0.262CS..  trans-77.1133.4171.1-59.6-86.8000107.7S312 V316 S366 K368 D390 A438 C442S312-Y314 VanDerWaalsContact C-N 3.33Å; S312-Y314 WeakPolarHBondContact O-CD2 3.36Å; S312-Y314 WeakPolarHBondContact O-CE2 3.22Å; S312-Y314 PolarHBondContact O-N 3.1Å; S312-Y314 WeakPolarHBondContact OG-CE2 3.35Å; S312-Y314 PolarHBondContact OG-OH 2.95Å; S312-Y314 VanDerWaalsContact OG-OH 3.11Å; Y314-V316 PolarHBondContact O-N 2.86Å; Y314-S366 WeakPolarHBondContact CA-OG 3.45Å; Y314-K368 HydrophobicContact CD1-CB 3.68Å; Y314-K368 HydrophobicContact CD2-CB 3.85Å; Y314-K368 HydrophobicContact CD2-CD 4.11Å; Y314-K368 HydrophobicContact CD2-CG 4.49Å; Y314-K368 HydrophobicContact CE1-CB 3.79Å; Y314-K368 HydrophobicContact CE1-CG 4.33Å; Y314-K368 HydrophobicContact CE2-CB 4.01Å; Y314-K368 HydrophobicContact CE2-CD 3.74Å; Y314-K368 HydrophobicContact CE2-CG 4.21Å; Y314-K368 HydrophobicContact CG-CB 3.69Å; Y314-K368 PolarHBondContact OH-NZ 3.35Å; Y314-D390 HydrophobicContact CE1-CB 4.28Å; Y314-D390 VanDerWaalsContact CZ-OD2 3.31Å; Y314-D390 PolarHBondContact OH-OD2 3.38Å; Y314-A438 HydrophobicContact CD2-CB 4.11Å; Y314-A438 HydrophobicContact CE2-CB 4.4Å; Y314-C442 WeakPolarHBondContact O-CA 3.41Å; Y314-C442 VanDerWaalsContact O-CB 3.22Å; Y314-C442 WeakPolarHBondContact O-CB 3.47Å
315D95.7Very high74.9Confident36 Ų3648.1 Ų48.119%0.19324%0.242CC..SBendtrans-64.3-36.7170.5-74.1-47.2000110.3V365 S366 K443 L444 L594D315-V365 HydrophobicContact CB-CG1 3.56Å; D315-S366 PolarHBondContact N-O 3.15Å; D315-S366 PolarHBondContact N-OG 3.37Å; D315-K443 HydrophobicContact CB-CD 4.48Å; D315-K443 WeakPolarHBondContact O-CA 3.45Å; D315-K443 WeakPolarHBondContact O-CB 3.22Å; D315-K443 PolarHBondContact O-N 3.26Å; D315-K443 WeakPolarHBondContact OD1-CD 3.44Å; D315-K443 VanDerWaalsContact OD1-CE 3.25Å; D315-K443 WeakPolarHBondContact OD1-CE 3.22Å; D315-K443 IonicContact OD1-NZ 3.14Å; D315-K443 PolarHBondContact OD1-NZ 3.39Å; D315-L444 PolarHBondContact O-N 3.31Å; D315-L594 HydrophobicContact CB-CD1 4.08Å
316V98.4Very high77.5Confident0 Ų044.8 Ų44.80%023%0.225CC..EExtended strand (participates in β ladder)trans-133.5137.3-177-174.80000111.6Y314 T318 L360 V365 S366 A367 K368 L444 I590 L594Y314-V316 PolarHBondContact O-N 2.86Å; V316-T318 HydrophobicContact CG1-CG2 4.12Å; V316-L360 HydrophobicContact CB-CD1 3.92Å; V316-L360 HydrophobicContact CG1-CD1 3.75Å; V316-L360 HydrophobicContact CG2-CD1 4.02Å; V316-V365 HydrophobicContact CG2-CG1 3.92Å; V316-S366 PolarHBondContact N-O 2.98Å; V316-S366 VanDerWaalsContact N-O 3.11Å; V316-A367 VanDerWaalsContact O-CA 3.22Å; V316-A367 WeakPolarHBondContact O-CA 3.39Å; V316-K368 PolarHBondContact O-N 2.86Å; V316-L444 WeakPolarHBondContact CA-O 2.92Å; V316-L444 HydrophobicContact CG1-CD2 3.96Å; V316-I590 HydrophobicContact CG2-CG2 3.79Å; V316-L594 HydrophobicContact CG2-CD1 3.73Å
317V98.4Very high79.8Confident0 Ų040.9 Ų40.90%021%0.207CC..EExtended strand (participates in β ladder)trans-109.4122.9166176.20000108.5I319 K368 I370 A438 I439 C442 L444 V445 L446V317-I319 HydrophobicContact CG1-CD1 4.29Å; V317-I319 HydrophobicContact CG1-CG1 3.94Å; V317-K368 HydrophobicContact CG2-CB 4.36Å; V317-I370 HydrophobicContact CG1-CD1 3.59Å; V317-I370 HydrophobicContact CG1-CG1 4.06Å; V317-A438 HydrophobicContact CG2-CB 4.25Å; V317-I439 HydrophobicContact CG1-CG1 4.18Å; V317-C442 HydrophobicContact CG2-CB 3.85Å; V317-L444 PolarHBondContact N-O 2.94Å; V317-V445 HydrophobicContact CB-CG2 4.36Å; V317-V445 CarbonylContact O-C 3.54Å; V317-V445 VanDerWaalsContact O-CA 3.31Å; V317-V445 WeakPolarHBondContact O-CA 3.29Å; V317-L446 PolarHBondContact O-N 3.45Å
318T98.7Very high82.5Confident0 Ų032.4 Ų32.40%018%0.18CC..EExtended strand (participates in β ladder)trans-102.6135.5173.672.90000110V316 A353 V356 A357 L360 K368 L369 I370 L446V316-T318 HydrophobicContact CG1-CG2 4.12Å; T318-A353 WeakPolarHBondContact CB-O 3.22Å; T318-A353 PolarHBondContact OG1-O 2.63Å; T318-V356 HydrophobicContact CG2-CG1 4.47Å; T318-A357 HydrophobicContact CG2-CB 3.96Å; T318-A357 WeakPolarHBondContact OG1-CB 3.32Å; T318-L360 HydrophobicContact CG2-CD1 4.47Å; T318-K368 PolarHBondContact N-O 3.41Å; T318-L369 WeakPolarHBondContact OG1-CD1 3.29Å; T318-I370 PolarHBondContact O-N 3.07Å; T318-L446 CarbonylContact C-O 3.59Å; T318-L446 VanDerWaalsContact CA-O 3.31Å; T318-L446 WeakPolarHBondContact CA-O 3.38Å; T318-L446 HydrophobicContact CG2-CB 4.2Å; T318-L446 HydrophobicContact CG2-CD2 4.37Å
319I98.6Very high84.8Confident0 Ų030.9 Ų30.90%018%0.178CC..EExtended strand (participates in β ladder)trans-131.6116.8-176.4-44.7-178.6000108.9V317 I370 I427 V432 I439 V445 L446 I447 D448 V451 I459V317-I319 HydrophobicContact CG1-CD1 4.29Å; V317-I319 HydrophobicContact CG1-CG1 3.94Å; I319-I370 WeakPolarHBondContact CA-O 3.43Å; I319-I370 HydrophobicContact CB-CB 4.44Å; I319-I370 HydrophobicContact CD1-CD1 4.18Å; I319-I370 HydrophobicContact CG1-CB 4.12Å; I319-I370 HydrophobicContact CG1-CD1 4.16Å; I319-I370 HydrophobicContact CG2-CB 4.18Å; I319-I370 HydrophobicContact CG2-CG2 4.19Å; I319-I427 HydrophobicContact CG2-CG2 4.12Å; I319-V432 HydrophobicContact CD1-CG1 4.3Å; I319-V432 HydrophobicContact CG2-CG2 4.32Å; I319-I439 HydrophobicContact CD1-CD1 4.27Å; I319-V445 HydrophobicContact CD1-CG1 3.96Å; I319-V445 HydrophobicContact CG1-CG1 4.3Å; I319-L446 PolarHBondContact N-O 3.2Å; I319-I447 HydrophobicContact CB-CG2 3.95Å; I319-I447 HydrophobicContact CD1-CG2 4.38Å; I319-I447 HydrophobicContact CG1-CG2 4.42Å; I319-I447 WeakPolarHBondContact O-CA 3.49Å; I319-D448 PolarHBondContact O-N 3Å; I319-D448 VanDerWaalsContact O-N 3.16Å; I319-V451 HydrophobicContact CG2-CG2 4.2Å; I319-V451 WeakPolarHBondContact O-CG2 3.42Å; I319-I459 HydrophobicContact CB-CD1 4.41Å; I319-I459 HydrophobicContact CD1-CD1 3.87Å; I319-I459 HydrophobicContact CD1-CG1 4.12Å; I319-I459 HydrophobicContact CD1-CG2 4.33Å; I319-I459 HydrophobicContact CG2-CD1 3.95Å
320G98.1Very high87.2Confident0 Ų026.1 Ų26.10%015%0.154CC..SBendtrans155.5-147.2-177.900000114.6I370 S371 I427 D448G320-I370 PolarHBondContact N-O 3.34Å; G320-I370 VanDerWaalsContact N-O 3.13Å; G320-S371 VanDerWaalsContact O-CB 3.24Å; G320-S371 WeakPolarHBondContact O-CB 3.45Å; G320-S371 PolarHBondContact O-OG 3.4Å; G320-I427 WeakPolarHBondContact O-CD1 3.34Å; G320-D448 WeakPolarHBondContact CA-OD1 3.39Å; G320-D448 WeakPolarHBondContact CA-OD2 3.46Å
321G97.2Very high89.3Confident0 Ų025.9 Ų25.90%016%0.155CC..  trans-73.6138.4-170.200000114.2G351 R354 Y424 D448G321-G351 CarbonylContact O-C 3.57Å; G321-G351 VanDerWaalsContact O-C 3.29Å; G321-G351 VanDerWaalsContact O-CA 3.29Å; G321-G351 WeakPolarHBondContact O-CA 3.25Å; G321-R354 PolarHBondContact O-N 3.33Å; G321-Y424 WeakPolarHBondContact CA-OH 3.35Å; G321-D448 PolarHBondContact N-OD1 2.91Å; G321-D448 PolarHBondContact N-OD2 3.27Å
322A97.7Very high91.2Very high1 Ų126 Ų261%0.00815%0.146CC..  trans-129.3121.7160.800000107.9R354 L369 M382 Y424A322-R354 HydrophobicContact CB-CB 3.86Å; A322-R354 HydrophobicContact CB-CG 4.06Å; A322-L369 HydrophobicContact CB-CD2 4.33Å; A322-M382 HydrophobicContact CB-CE 4.45Å; A322-M382 HydrophobicContact CB-SD 4.21Å; A322-Y424 PolarHBondContact N-OH 2.81Å; A322-Y424 WeakPolarHBondContact O-CE1 3.34Å; A322-Y424 PolarHBondContact O-OH 2.96Å
323S96.7Very high92.7Very high6 Ų629.6 Ų29.64%0.04216%0.159CC..EExtended strand (participates in β ladder)trans-134.1164-175.661.40000112.7D325 F349 G350 G351 M382 A403 Y424S323-D325 PolarHBondContact OG-OD1 3.32Å; S323-F349 WeakPolarHBondContact O-CA 3.43Å; S323-G350 PolarHBondContact N-O 3.01Å; S323-G350 VanDerWaalsContact N-O 3.08Å; S323-G350 PolarHBondContact O-N 3.01Å; S323-G350 VanDerWaalsContact OG-CA 3.27Å; S323-G350 WeakPolarHBondContact OG-CA 3.37Å; S323-G351 PolarHBondContact OG-N 3.4Å; S323-G351 VanDerWaalsContact OG-N 3.12Å; S323-M382 WeakPolarHBondContact O-CE 3.22Å; S323-A403 CarbonylContact C-O 2.93Å; S323-A403 WeakPolarHBondContact CA-O 3.37Å; S323-A403 VanDerWaalsContact CB-O 3.3Å; S323-A403 WeakPolarHBondContact CB-O 3.45Å; S323-Y424 PolarHBondContact N-OH 3.44Å
324V96.2Very high93Very high3 Ų329.4 Ų29.42%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-102.1123.9161.2-176.50000108.8F349 E378 M382 T402 A403 S404 Y405V324-F349 HydrophobicContact CG2-CD1 4.02Å; V324-F349 HydrophobicContact CG2-CE1 4.17Å; V324-E378 HydrophobicContact CG2-CB 3.86Å; V324-M382 HydrophobicContact CG2-CE 4.15Å; V324-T402 HydrophobicContact CG2-CG2 4.39Å; V324-A403 PolarHBondContact N-O 3.41Å; V324-S404 CarbonylContact O-C 3.59Å; V324-S404 WeakPolarHBondContact O-CA 3.49Å; V324-S404 WeakPolarHBondContact O-CB 3.34Å; V324-Y405 PolarHBondContact O-N 3.1Å
325D93.7Very high92.8Very high16 Ų1632.3 Ų32.39%0.08617%0.171CC..EExtended strand (participates in β ladder)trans-104126.6-179.9-61.7-3.8000109S323 Y327 K347 T348 G350 Y405S323-D325 PolarHBondContact OG-OD1 3.32Å; D325-Y327 HydrophobicContact CB-CE2 3.85Å; D325-K347 CarbonylContact O-C 3.57Å; D325-K347 WeakPolarHBondContact O-CA 3.44Å; D325-T348 HydrophobicContact CB-CG2 3.84Å; D325-T348 PolarHBondContact N-O 3.2Å; D325-T348 PolarHBondContact O-N 2.91Å; D325-T348 VanDerWaalsContact O-O 3.11Å; D325-G350 VanDerWaalsContact OD2-CA 3.3Å; D325-G350 WeakPolarHBondContact OD2-CA 3.38Å; D325-Y405 CarbonylContact C-O 3.55Å; D325-Y405 WeakPolarHBondContact CA-O 3.34Å; D325-Y405 HydrophobicContact CB-CD1 4.42Å
326V93.6Very high92.3Very high25 Ų2538.8 Ų38.815%0.15221%0.206CC..EExtended strand (participates in β ladder)trans-113.9124.3178.7-171.70000108.3V345 K347 Y405 I406 G407V326-V345 HydrophobicContact CG1-CG1 3.73Å; V326-K347 HydrophobicContact CG1-CG 4.43Å; V326-K347 HydrophobicContact CG2-CD 4.48Å; V326-K347 HydrophobicContact CG2-CG 4.12Å; V326-Y405 PolarHBondContact N-O 2.95Å; V326-I406 HydrophobicContact CB-CG1 4.36Å; V326-I406 CarbonylContact O-C 3.31Å; V326-I406 VanDerWaalsContact O-CA 3.27Å; V326-I406 WeakPolarHBondContact O-CA 3.32Å; V326-G407 PolarHBondContact O-N 2.93Å
327Y90.8Very high92Very high13 Ų1344 Ų445%0.05123%0.233CC..EExtended strand (participates in β ladder)trans-114.8120.6179.6-65.5-69.9000109.4D325 V345 Y346 T348 Y405 F409 S579D325-Y327 HydrophobicContact CB-CE2 3.85Å; Y327-V345 VanDerWaalsContact O-CA 3.27Å; Y327-V345 WeakPolarHBondContact O-CA 3.35Å; Y327-Y346 VanDerWaalsContact CB-CE1 3.43Å; Y327-Y346 HydrophobicContact CD2-CD2 4.2Å; Y327-Y346 HydrophobicContact CD2-CE1 4.3Å; Y327-Y346 AromaticContact CD2-CE2 3.42Å; Y327-Y346 HydrophobicContact CD2-CE2 3.42Å; Y327-Y346 VanDerWaalsContact CD2-CE2 3.42Å; Y327-Y346 AromaticContact CD2-CZ 3.46Å; Y327-Y346 VanDerWaalsContact CD2-CZ 3.46Å; Y327-Y346 WeakPolarHBondContact CD2-OH 3.49Å; Y327-Y346 HydrophobicContact CE2-CE2 4.25Å; Y327-Y346 HydrophobicContact CG-CE1 4.18Å; Y327-Y346 HydrophobicContact CG-CE2 4.12Å; Y327-Y346 AromaticContact CG-CZ 3.72Å; Y327-Y346 PolarHBondContact N-O 3.31Å; Y327-Y346 PolarHBondContact O-N 2.9Å; Y327-T348 HydrophobicContact CD2-CG2 4.13Å; Y327-T348 HydrophobicContact CE2-CG2 3.62Å; Y327-Y405 HydrophobicContact CE1-CD1 4.25Å; Y327-Y405 AromaticContact CE1-CE1 3.82Å; Y327-Y405 HydrophobicContact CE1-CE1 3.82Å; Y327-F409 HydrophobicContact CD1-CD2 4.4Å; Y327-F409 AromaticContact CD1-CE2 3.58Å; Y327-F409 HydrophobicContact CD1-CE2 3.58Å; Y327-F409 HydrophobicContact CD1-CZ 4.39Å; Y327-F409 HydrophobicContact CE1-CE2 4.09Å; Y327-F409 HydrophobicContact CG-CE2 4.48Å; Y327-S579 PolarHBondContact OH-OG 2.68Å
328A92.1Very high91.4Very high22 Ų2247.8 Ų47.818%0.18227%0.273CS..EExtended strand (participates in β ladder)trans-112.1116.6175.900000109V345 G407 F408 F409A328-V345 HydrophobicContact CB-CG2 4.01Å; A328-G407 PolarHBondContact N-O 2.94Å; A328-F408 HydrophobicContact CB-CD1 4.27Å; A328-F408 HydrophobicContact CB-CE1 4.47Å; A328-F408 CarbonylContact O-C 3.5Å; A328-F408 WeakPolarHBondContact O-CA 3.48Å; A328-F409 PolarHBondContact O-N 3.38Å
329S89.8Confident90.9Very high35 Ų3550.3 Ų50.325%0.24529%0.291CS..EExtended strand (participates in β ladder)trans-114.3118.4176.9-173.60000110.5G343 C344 F409S329-G343 CarbonylContact O-C 3.48Å; S329-G343 WeakPolarHBondContact O-CA 3.49Å; S329-C344 PolarHBondContact N-O 3.02Å; S329-C344 PolarHBondContact O-N 3.08Å; S329-F409 WeakPolarHBondContact CA-O 3.37Å
330A89.1Confident90.5Very high10 Ų1057 Ų578%0.08333%0.331CS..EExtended strand (participates in β ladder)trans-74.4140.3167.700000110E332 I334 H341 F409A330-E332 VanDerWaalsContact C-N 3.34Å; A330-E332 WeakPolarHBondContact CB-O 3.31Å; A330-I334 HydrophobicContact CB-CD1 4Å; A330-I334 HydrophobicContact CB-CG1 3.67Å; A330-H341 HydrophobicContact CB-CB 4.4Å; A330-F409 PolarHBondContact N-O 2.81Å
331Q82.9Confident90.1Very high162 Ų16259.3 Ų59.376%0.75734%0.342SS*.SBendtrans-79.6-24.1171.6-67.6-172.9-3.500111.9H342Q331-H342 PolarHBondContact N-O 3.07Å
332E84.2Confident89.6Confident86 Ų8666.5 Ų66.540%0.40238%0.375SS..SBendtrans-108175.2178.862.8-159.6152.600111.7A330 H341 H342A330-E332 VanDerWaalsContact C-N 3.34Å; A330-E332 WeakPolarHBondContact CB-O 3.31Å; E332-H341 HydrophobicContact CG-CB 4.32Å; E332-H341 WeakPolarHBondContact OE1-CA 3.18Å; E332-H342 PolarHBondContact OE1-N 2.9Å
333E85.9Confident89.2Confident115 Ų11568.6 Ų68.654%0.53740%0.397SS..PPolyproline II helixtrans-70.4135.1173.7-169.5159.715800109.7V335 H341 K411E333-V335 PolarHBondContact O-N 2.96Å; E333-H341 PolarHBondContact O-CD2 3.25Å; E333-K411 IonicContact OE2-NZ 3.07Å; E333-K411 PolarHBondContact OE2-NZ 3.13Å
334I84.1Confident88.9Confident68 Ų6871.9 Ų71.935%0.34942%0.42SS..PPolyproline II helixtrans-82.7116.2-178.7-61.2174.9000107.9A330 E410A330-I334 HydrophobicContact CB-CD1 4Å; A330-I334 HydrophobicContact CB-CG1 3.67Å; I334-E410 HydrophobicContact CD1-CB 4.38Å; I334-E410 PolarHBondContact N-OE1 2.86Å
335V86.2Confident88.6Confident80 Ų8076.6 Ų76.649%0.48545%0.448SS..PPolyproline II helixtrans-92.6132.4175.3-169.90000109.4E333 D337 H341E333-V335 PolarHBondContact O-N 2.96Å; V335-D337 HydrophobicContact CG1-CB 4.12Å; V335-D337 PolarHBondContact O-N 3Å; V335-H341 PolarHBondContact N-NE2 3.47Å; V335-H341 PolarHBondContact O-CE1 3.3Å
336D86.6Confident88.5Confident173 Ų17380.8 Ų80.893%0.92546%0.463SS*.THydrogen-bonded Turntrans-8361.2178.7-168.921.7000111.5
337D90.6Very high88.4Confident108 Ų10885.6 Ų85.658%0.57848%0.482SS*.THydrogen-bonded Turntrans-126.83.9-179.369.7-9.3000113.5V335 S339V335-D337 HydrophobicContact CG1-CB 4.12Å; V335-D337 PolarHBondContact O-N 3Å; D337-S339 VanDerWaalsContact C-N 3.33Å; D337-S339 WeakPolarHBondContact OD1-CB 3.1Å; D337-S339 PolarHBondContact OD1-N 3.26Å; D337-S339 PolarHBondContact OD1-OG 2.87Å
338G87.3Confident88.5Confident80 Ų8086.2 Ų86.283%0.82549%0.487SS*.SBendtrans79.98.6-176.400000114.7
339S88.4Confident88.6Confident54 Ų5486.9 Ų86.938%0.37849%0.486SS..PPolyproline II helixtrans-70.5154.6176.462.30000113.4D337 H341D337-S339 VanDerWaalsContact C-N 3.33Å; D337-S339 WeakPolarHBondContact OD1-CB 3.1Å; D337-S339 PolarHBondContact OD1-N 3.26Å; D337-S339 PolarHBondContact OD1-OG 2.87Å; S339-H341 PolarHBondContact O-CE1 3.21Å; S339-H341 PolarHBondContact O-ND1 2.84Å; S339-H341 PolarHBondContact OG-CE1 2.78Å; S339-H341 PolarHBondContact OG-NE2 3.37Å
340T90.1Very high88.8Confident140 Ų14085.2 Ų85.286%0.85947%0.474SS*.PPolyproline II helixtrans-87.5123.6174.3-59.90000109.3
341H88.3Confident89.1Confident49 Ų4985.3 Ų85.323%0.22748%0.476CS..PPolyproline II helixtrans-103140.2-178.3-59.679.5000111A330 E332 E333 V335 S339A330-H341 HydrophobicContact CB-CB 4.4Å; E332-H341 HydrophobicContact CG-CB 4.32Å; E332-H341 WeakPolarHBondContact OE1-CA 3.18Å; E333-H341 PolarHBondContact O-CD2 3.25Å; V335-H341 PolarHBondContact N-NE2 3.47Å; V335-H341 PolarHBondContact O-CE1 3.3Å; S339-H341 PolarHBondContact O-CE1 3.21Å; S339-H341 PolarHBondContact O-ND1 2.84Å; S339-H341 PolarHBondContact OG-CE1 2.78Å; S339-H341 PolarHBondContact OG-NE2 3.37Å
342H87.3Confident89.8Confident150 Ų15078.5 Ų78.569%0.69445%0.446SS*.PPolyproline II helixtrans-74.4132.5175.3-78.9-78.9000111Q331 E332Q331-H342 PolarHBondContact N-O 3.07Å; E332-H342 PolarHBondContact OE1-N 2.9Å
343G89.1Confident90.5Very high46 Ų4674.4 Ų74.447%0.47443%0.427SS..EExtended strand (participates in β ladder)trans-163.7-174.4-172.900000114.5S329S329-G343 CarbonylContact O-C 3.48Å; S329-G343 WeakPolarHBondContact O-CA 3.49Å
344C90Very high91.1Very high75 Ų7569.1 Ų69.151%0.50740%0.402SS..EExtended strand (participates in β ladder)trans-118.1132.6172.3-175.70000108.9S329S329-C344 PolarHBondContact N-O 3.02Å; S329-C344 PolarHBondContact O-N 3.08Å
345V91.5Very high91.7Very high101 Ų10166.2 Ų66.261%0.61239%0.387SS*.EExtended strand (participates in β ladder)trans-117.5128.6171.8-176.60000108.1V326 Y327 A328V326-V345 HydrophobicContact CG1-CG1 3.73Å; Y327-V345 VanDerWaalsContact O-CA 3.27Å; Y327-V345 WeakPolarHBondContact O-CA 3.35Å; A328-V345 HydrophobicContact CB-CG2 4.01Å
346Y90.5Very high92.3Very high104 Ų10462.4 Ų62.441%0.40836%0.364SS..EExtended strand (participates in β ladder)trans-134.4150.5171.869.9-85.3000110.7Y327Y327-Y346 VanDerWaalsContact CB-CE1 3.43Å; Y327-Y346 HydrophobicContact CD2-CD2 4.2Å; Y327-Y346 HydrophobicContact CD2-CE1 4.3Å; Y327-Y346 AromaticContact CD2-CE2 3.42Å; Y327-Y346 HydrophobicContact CD2-CE2 3.42Å; Y327-Y346 VanDerWaalsContact CD2-CE2 3.42Å; Y327-Y346 AromaticContact CD2-CZ 3.46Å; Y327-Y346 VanDerWaalsContact CD2-CZ 3.46Å; Y327-Y346 WeakPolarHBondContact CD2-OH 3.49Å; Y327-Y346 HydrophobicContact CE2-CE2 4.25Å; Y327-Y346 HydrophobicContact CG-CE1 4.18Å; Y327-Y346 HydrophobicContact CG-CE2 4.12Å; Y327-Y346 AromaticContact CG-CZ 3.72Å; Y327-Y346 PolarHBondContact N-O 3.31Å; Y327-Y346 PolarHBondContact O-N 2.9Å
347K91.7Very high92.9Very high127 Ų12754.2 Ų54.255%0.55232%0.32SS*.EExtended strand (participates in β ladder)trans-107141.4175.3-61.3-168.7176.4-177.40109.4D325 V326 E378D325-K347 CarbonylContact O-C 3.57Å; D325-K347 WeakPolarHBondContact O-CA 3.44Å; V326-K347 HydrophobicContact CG1-CG 4.43Å; V326-K347 HydrophobicContact CG2-CD 4.48Å; V326-K347 HydrophobicContact CG2-CG 4.12Å; K347-E378 IonicContact NZ-OE1 2.78Å; K347-E378 PolarHBondContact NZ-OE1 3.1Å; K347-E378 IonicContact NZ-OE2 2.87Å
348T92.7Very high93.2Very high26 Ų2649.3 Ų49.316%0.1629%0.294CS..EExtended strand (participates in β ladder)trans-137.7175166.7-172.40000108.2D325 Y327 T619D325-T348 HydrophobicContact CB-CG2 3.84Å; D325-T348 PolarHBondContact N-O 3.2Å; D325-T348 PolarHBondContact O-N 2.91Å; D325-T348 VanDerWaalsContact O-O 3.11Å; Y327-T348 HydrophobicContact CD2-CG2 4.13Å; Y327-T348 HydrophobicContact CE2-CG2 3.62Å; T348-T619 WeakPolarHBondContact CG2-OG1 3.48Å; T348-T619 PolarHBondContact OG1-OG1 2.99Å
349F94.8Very high93.8Very high35 Ų3545.5 Ų45.515%0.15426%0.255CS..EExtended strand (participates in β ladder)trans-93.7146.7170-54.1-59.7000108.9S323 V324 R354 A381 M382 K385 T619S323-F349 WeakPolarHBondContact O-CA 3.43Å; V324-F349 HydrophobicContact CG2-CD1 4.02Å; V324-F349 HydrophobicContact CG2-CE1 4.17Å; F349-R354 VanDerWaalsContact CB-CZ 3.45Å; F349-R354 VanDerWaalsContact CB-NH2 3.33Å; F349-R354 PolarHBondContact O-NH2 3.44Å; F349-A381 HydrophobicContact CZ-CB 4.48Å; F349-M382 HydrophobicContact CB-CE 4.49Å; F349-M382 HydrophobicContact CB-CG 4.48Å; F349-M382 HydrophobicContact CD1-CB 3.79Å; F349-M382 HydrophobicContact CD1-CE 3.94Å; F349-M382 HydrophobicContact CD1-CG 3.81Å; F349-M382 HydrophobicContact CD2-CG 4.43Å; F349-M382 VanDerWaalsContact CE1-CA 3.48Å; F349-M382 HydrophobicContact CE1-CB 3.67Å; F349-M382 HydrophobicContact CE1-CG 4.18Å; F349-M382 HydrophobicContact CG-CB 4.37Å; F349-M382 HydrophobicContact CG-CE 4.5Å; F349-M382 HydrophobicContact CG-CG 3.96Å; F349-M382 VanDerWaalsContact CZ-CA 3.45Å; F349-M382 HydrophobicContact CZ-CB 4.16Å; F349-K385 HydrophobicContact CE2-CB 3.55Å; F349-K385 HydrophobicContact CE2-CG 3.92Å; F349-K385 HydrophobicContact CZ-CB 4.16Å; F349-K385 HydrophobicContact CZ-CG 4.16Å; F349-T619 PolarHBondContact O-OG1 3.39Å
350G94.5Very high94.2Very high0 Ų042.9 Ų42.90%024%0.237CC..EExtended strand (participates in β ladder)trans-127.2-163.617300000114S323 D325 R354S323-G350 PolarHBondContact N-O 3.01Å; S323-G350 VanDerWaalsContact N-O 3.08Å; S323-G350 PolarHBondContact O-N 3.01Å; S323-G350 VanDerWaalsContact OG-CA 3.27Å; S323-G350 WeakPolarHBondContact OG-CA 3.37Å; D325-G350 VanDerWaalsContact OD2-CA 3.3Å; D325-G350 WeakPolarHBondContact OD2-CA 3.38Å; G350-R354 PolarHBondContact O-NE 2.79Å; G350-R354 VanDerWaalsContact O-NE 3.14Å; G350-R354 PolarHBondContact O-NH2 2.89Å
351G95.3Very high94.6Very high12 Ų1237.5 Ų37.512%0.12420%0.203CC..  trans91.3120.9-177.400000112.9G321 S323 R354 N355G321-G351 CarbonylContact O-C 3.57Å; G321-G351 VanDerWaalsContact O-C 3.29Å; G321-G351 VanDerWaalsContact O-CA 3.29Å; G321-G351 WeakPolarHBondContact O-CA 3.25Å; S323-G351 PolarHBondContact OG-N 3.4Å; S323-G351 VanDerWaalsContact OG-N 3.12Å; G351-R354 PolarHBondContact O-N 3Å; G351-N355 WeakPolarHBondContact O-CB 3.5Å; G351-N355 PolarHBondContact O-N 3.15Å
352V96.9Very high94.9Very high19 Ų1937.3 Ų37.312%0.11520%0.201CC..Hα-helixtrans-57.3-54.3-173170.90000111.5R354 N355 V356 D448 D473 A475V352-R354 VanDerWaalsContact C-N 3.28Å; V352-R354 PolarHBondContact O-N 2.84Å; V352-N355 PolarHBondContact O-N 2.62Å; V352-V356 HydrophobicContact CG1-CG2 4.49Å; V352-V356 WeakPolarHBondContact O-CG2 3.14Å; V352-V356 PolarHBondContact O-N 3.01Å; V352-D448 HydrophobicContact CB-CB 3.84Å; V352-D448 WeakPolarHBondContact CB-OD2 3.42Å; V352-D448 HydrophobicContact CG1-CB 3.74Å; V352-D473 HydrophobicContact CG1-CB 3.86Å; V352-A475 HydrophobicContact CB-CB 4.48Å; V352-A475 HydrophobicContact CG2-CB 3.73Å
353A98.3Very high95.4Very high0 Ų030.3 Ų30.30%017%0.168CC..Hα-helixtrans-58.4-37.817900000113.3T318 A357 L369 D448T318-A353 WeakPolarHBondContact CB-O 3.22Å; T318-A353 PolarHBondContact OG1-O 2.63Å; A353-A357 WeakPolarHBondContact O-CB 3.2Å; A353-A357 PolarHBondContact O-N 3.31Å; A353-A357 VanDerWaalsContact O-N 3.1Å; A353-L369 HydrophobicContact CB-CD1 4.02Å; A353-D448 WeakPolarHBondContact CB-OD2 3.08Å; A353-D448 PolarHBondContact N-OD2 2.87Å
354R98.1Very high95.6Very high4 Ų430.9 Ų30.92%0.01517%0.174CC..Hα-helixtrans-70.3-47.6176.2-167.4-77.2-58158.812.8111.4G321 A322 F349 G350 G351 V352 V356 A357 D358 L369 M382 M389G321-R354 PolarHBondContact O-N 3.33Å; A322-R354 HydrophobicContact CB-CB 3.86Å; A322-R354 HydrophobicContact CB-CG 4.06Å; F349-R354 VanDerWaalsContact CB-CZ 3.45Å; F349-R354 VanDerWaalsContact CB-NH2 3.33Å; F349-R354 PolarHBondContact O-NH2 3.44Å; G350-R354 PolarHBondContact O-NE 2.79Å; G350-R354 VanDerWaalsContact O-NE 3.14Å; G350-R354 PolarHBondContact O-NH2 2.89Å; G351-R354 PolarHBondContact O-N 3Å; V352-R354 VanDerWaalsContact C-N 3.28Å; V352-R354 PolarHBondContact O-N 2.84Å; R354-V356 VanDerWaalsContact C-N 3.32Å; R354-V356 PolarHBondContact O-N 3.35Å; R354-A357 PolarHBondContact O-N 3.46Å; R354-D358 IonicContact NH1-OD2 3.9Å; R354-D358 PolarHBondContact NH1-OD2 2.83Å; R354-D358 VanDerWaalsContact NH1-OD2 3.14Å; R354-D358 WeakPolarHBondContact O-CB 3.49Å; R354-D358 PolarHBondContact O-N 2.92Å; R354-L369 HydrophobicContact CB-CD1 4.4Å; R354-L369 HydrophobicContact CB-CD2 4Å; R354-L369 HydrophobicContact CG-CD2 3.79Å; R354-M382 HydrophobicContact CG-SD 4.2Å; R354-M389 HydrophobicContact CG-CE 3.88Å; R354-M389 HydrophobicContact CG-SD 4.48Å; R354-M389 WeakPolarHBondContact O-CE 3.49Å
355N98.1Very high95.8Very high7 Ų727.5 Ų27.54%0.03715%0.152CC..Hα-helixtrans-56.6-45177.2-86.2-20.3000111.8G351 V352 D358 A359 D583 T619 I620G351-N355 WeakPolarHBondContact O-CB 3.5Å; G351-N355 PolarHBondContact O-N 3.15Å; V352-N355 PolarHBondContact O-N 2.62Å; N355-D358 PolarHBondContact O-N 2.82Å; N355-A359 WeakPolarHBondContact O-CB 3.28Å; N355-A359 PolarHBondContact O-N 3.09Å; N355-D583 HydrophobicContact CB-CB 3.65Å; N355-D583 WeakPolarHBondContact CB-OD2 3.39Å; N355-D583 PolarHBondContact ND2-OD2 2.64Å; N355-T619 WeakPolarHBondContact OD1-CG2 3.3Å; N355-I620 HydrophobicContact CB-CD1 3.83Å; N355-I620 HydrophobicContact CB-CG1 4.27Å; N355-I620 WeakPolarHBondContact O-CD1 3.38Å
356V98.6Very high95.9Very high0 Ų024.9 Ų24.90%014%0.137CC..Hα-helixtrans-67.2-42.1177.4178.30000111.2T318 V352 R354 D358 A359 L360 L446 D583 N586 A587 I590T318-V356 HydrophobicContact CG2-CG1 4.47Å; V352-V356 HydrophobicContact CG1-CG2 4.49Å; V352-V356 WeakPolarHBondContact O-CG2 3.14Å; V352-V356 PolarHBondContact O-N 3.01Å; R354-V356 VanDerWaalsContact C-N 3.32Å; R354-V356 PolarHBondContact O-N 3.35Å; V356-D358 PolarHBondContact O-N 3.37Å; V356-A359 PolarHBondContact O-N 3.41Å; V356-L360 HydrophobicContact CG1-CD1 3.75Å; V356-L360 HydrophobicContact CG1-CG 4.14Å; V356-L360 WeakPolarHBondContact O-CB 3.24Å; V356-L360 WeakPolarHBondContact O-CG 3.47Å; V356-L360 PolarHBondContact O-N 3.16Å; V356-L446 HydrophobicContact CB-CD1 4.2Å; V356-L446 HydrophobicContact CB-CD2 4.43Å; V356-L446 HydrophobicContact CG1-CD1 3.71Å; V356-L446 HydrophobicContact CG2-CD1 4.09Å; V356-L446 HydrophobicContact CG2-CD2 4.5Å; V356-D583 HydrophobicContact CG2-CB 3.89Å; V356-N586 HydrophobicContact CG2-CB 4.39Å; V356-A587 HydrophobicContact CG1-CB 4.17Å; V356-I590 HydrophobicContact CG1-CD1 4.31Å
357A98.4Very high96.3Very high1 Ų120.1 Ų20.11%0.00812%0.12CC..Hα-helixtrans-62.8-39.417500000112.9T318 A353 R354 L360 T361 A367 M389T318-A357 HydrophobicContact CG2-CB 3.96Å; T318-A357 WeakPolarHBondContact OG1-CB 3.32Å; A353-A357 WeakPolarHBondContact O-CB 3.2Å; A353-A357 PolarHBondContact O-N 3.31Å; A353-A357 VanDerWaalsContact O-N 3.1Å; R354-A357 PolarHBondContact O-N 3.46Å; A357-L360 PolarHBondContact O-N 2.91Å; A357-T361 WeakPolarHBondContact O-CB 3.41Å; A357-T361 WeakPolarHBondContact O-CG2 3.41Å; A357-T361 PolarHBondContact O-N 2.8Å; A357-T361 PolarHBondContact O-OG1 2.93Å; A357-A367 HydrophobicContact CB-CB 4.26Å; A357-M389 HydrophobicContact CB-CE 3.59Å
358D98.2Very high96.5Very high5 Ų514.7 Ų14.73%0.02710%0.096CC..Hα-helixtrans-61.4-49.9174.4-171.2-6.5000110.6R354 N355 V356 L360 T361 R362 H388 M389 I620R354-D358 IonicContact NH1-OD2 3.9Å; R354-D358 PolarHBondContact NH1-OD2 2.83Å; R354-D358 VanDerWaalsContact NH1-OD2 3.14Å; R354-D358 WeakPolarHBondContact O-CB 3.49Å; R354-D358 PolarHBondContact O-N 2.92Å; N355-D358 PolarHBondContact O-N 2.82Å; V356-D358 PolarHBondContact O-N 3.37Å; D358-L360 PolarHBondContact O-N 3.22Å; D358-T361 WeakPolarHBondContact CA-OG1 3.41Å; D358-T361 PolarHBondContact O-N 3.33Å; D358-T361 PolarHBondContact O-OG1 2.91Å; D358-R362 VanDerWaalsContact O-CG 3.31Å; D358-R362 WeakPolarHBondContact O-CG 3.45Å; D358-R362 PolarHBondContact O-N 2.81Å; D358-R362 IonicContact OD1-CZ 2.99Å; D358-R362 IonicContact OD1-NE 3.65Å; D358-R362 PolarHBondContact OD1-NE 3.08Å; D358-R362 IonicContact OD1-NH2 3.81Å; D358-H388 IonicContact OD1-CD2 3.8Å; D358-H388 IonicContact OD1-CE1 2.69Å; D358-H388 PolarHBondContact OD1-CE1 2.94Å; D358-H388 IonicContact OD1-NE2 3.72Å; D358-H388 PolarHBondContact OD1-NE2 2.7Å; D358-M389 HydrophobicContact CB-CE 4.16Å; D358-M389 HydrophobicContact CB-SD 3.56Å; D358-M389 VanDerWaalsContact CB-SD 3.56Å; D358-I620 HydrophobicContact CB-CG1 4.2Å; D358-I620 HydrophobicContact CB-CG2 4.32Å
359A98.2Very high96.8Very high0 Ų013.5 Ų13.50%09%0.089CC..Hα-helixtrans-62.6-42.417800000112.4N355 V356 R362 L363 A587 I620 L624N355-A359 WeakPolarHBondContact O-CB 3.28Å; N355-A359 PolarHBondContact O-N 3.09Å; V356-A359 PolarHBondContact O-N 3.41Å; A359-R362 PolarHBondContact O-N 3.3Å; A359-L363 VanDerWaalsContact O-CG 3.29Å; A359-L363 WeakPolarHBondContact O-CG 3.42Å; A359-L363 PolarHBondContact O-N 3.37Å; A359-A587 HydrophobicContact CB-CB 3.39Å; A359-I620 HydrophobicContact CB-CD1 4.38Å; A359-I620 HydrophobicContact CB-CG2 3.9Å; A359-L624 HydrophobicContact CB-CD1 3.82Å
360L98.4Very high96.9Very high0 Ų011.9 Ų11.90%08%0.082CC..Hα-helixtrans-62.5-46.6177.2-76.5171.6000112.1V316 T318 V356 A357 D358 R362 L363 G364 V365 A367 A587 I590V316-L360 HydrophobicContact CB-CD1 3.92Å; V316-L360 HydrophobicContact CG1-CD1 3.75Å; V316-L360 HydrophobicContact CG2-CD1 4.02Å; T318-L360 HydrophobicContact CG2-CD1 4.47Å; V356-L360 HydrophobicContact CG1-CD1 3.75Å; V356-L360 HydrophobicContact CG1-CG 4.14Å; V356-L360 WeakPolarHBondContact O-CB 3.24Å; V356-L360 WeakPolarHBondContact O-CG 3.47Å; V356-L360 PolarHBondContact O-N 3.16Å; A357-L360 PolarHBondContact O-N 2.91Å; D358-L360 PolarHBondContact O-N 3.22Å; L360-R362 VanDerWaalsContact C-N 3.33Å; L360-R362 PolarHBondContact O-N 2.99Å; L360-L363 CarbonylContact O-C 3.39Å; L360-L363 WeakPolarHBondContact O-CA 3.46Å; L360-L363 WeakPolarHBondContact O-CB 3.03Å; L360-L363 PolarHBondContact O-N 3.03Å; L360-G364 PolarHBondContact O-N 3.23Å; L360-V365 HydrophobicContact CB-CB 4.1Å; L360-V365 HydrophobicContact CB-CG1 4.49Å; L360-V365 HydrophobicContact CD2-CB 4.15Å; L360-V365 HydrophobicContact CD2-CG1 4.21Å; L360-V365 HydrophobicContact CD2-CG2 4.14Å; L360-V365 WeakPolarHBondContact O-CB 3.31Å; L360-V365 PolarHBondContact O-N 3.19Å; L360-A367 HydrophobicContact CB-CB 4.14Å; L360-A367 HydrophobicContact CD1-CB 4.34Å; L360-A587 HydrophobicContact CD2-CB 4.23Å; L360-A587 HydrophobicContact CG-CB 4.07Å; L360-I590 HydrophobicContact CD1-CG2 4.45Å; L360-I590 HydrophobicContact CD2-CB 4.14Å; L360-I590 HydrophobicContact CD2-CG2 3.82Å
361T96.9Very high97.1Very high26 Ų2611.9 Ų11.916%0.168%0.082CC..Hα-helixtrans-65-36.5178.2480000111.7A357 D358 L363 G364 V365 A367 H388A357-T361 WeakPolarHBondContact O-CB 3.41Å; A357-T361 WeakPolarHBondContact O-CG2 3.41Å; A357-T361 PolarHBondContact O-N 2.8Å; A357-T361 PolarHBondContact O-OG1 2.93Å; D358-T361 WeakPolarHBondContact CA-OG1 3.41Å; D358-T361 PolarHBondContact O-N 3.33Å; D358-T361 PolarHBondContact O-OG1 2.91Å; T361-L363 VanDerWaalsContact C-N 3.32Å; T361-L363 PolarHBondContact O-N 2.94Å; T361-G364 WeakPolarHBondContact O-CA 2.99Å; T361-G364 PolarHBondContact O-N 3.02Å; T361-V365 WeakPolarHBondContact CA-O 3.45Å; T361-A367 HydrophobicContact CG2-CB 4.06Å; T361-H388 PolarHBondContact OG1-CD2 3.27Å
362R96.2Very high97.2Very high46 Ų4611.3 Ų11.317%0.1748%0.076CC..Hα-helixtrans-67-30.5170.7-68-179.1-170.2-82.45.1113.4D358 A359 L360 G364 H388 P621 E622 L624 S625D358-R362 VanDerWaalsContact O-CG 3.31Å; D358-R362 WeakPolarHBondContact O-CG 3.45Å; D358-R362 PolarHBondContact O-N 2.81Å; D358-R362 IonicContact OD1-CZ 2.99Å; D358-R362 IonicContact OD1-NE 3.65Å; D358-R362 PolarHBondContact OD1-NE 3.08Å; D358-R362 IonicContact OD1-NH2 3.81Å; A359-R362 PolarHBondContact O-N 3.3Å; L360-R362 VanDerWaalsContact C-N 3.33Å; L360-R362 PolarHBondContact O-N 2.99Å; R362-G364 PolarHBondContact O-N 2.89Å; R362-H388 PolarHBondContact NH2-CE1 3.32Å; R362-P621 WeakPolarHBondContact CD-O 3.41Å; R362-E622 VanDerWaalsContact NH1-CA 3.27Å; R362-E622 PolarHBondContact NH1-O 3.44Å; R362-L624 HydrophobicContact CB-CB 4.16Å; R362-S625 VanDerWaalsContact O-CB 3.24Å; R362-S625 WeakPolarHBondContact O-CB 3.38Å
363L96.1Very high97.3Very high2 Ų210.4 Ų10.41%0.017%0.071CC..Hα-helixtrans-74.8-7168.9-68.3167.4000112.2A359 L360 T361 A587 Y591 F605 L624 K628A359-L363 VanDerWaalsContact O-CG 3.29Å; A359-L363 WeakPolarHBondContact O-CG 3.42Å; A359-L363 PolarHBondContact O-N 3.37Å; L360-L363 CarbonylContact O-C 3.39Å; L360-L363 WeakPolarHBondContact O-CA 3.46Å; L360-L363 WeakPolarHBondContact O-CB 3.03Å; L360-L363 PolarHBondContact O-N 3.03Å; T361-L363 VanDerWaalsContact C-N 3.32Å; T361-L363 PolarHBondContact O-N 2.94Å; L363-A587 HydrophobicContact CD1-CB 4.44Å; L363-Y591 HydrophobicContact CB-CD2 4.2Å; L363-Y591 HydrophobicContact CB-CG 4.38Å; L363-Y591 HydrophobicContact CD1-CG 4.33Å; L363-F605 HydrophobicContact CD1-CE1 4.46Å; L363-F605 HydrophobicContact CD2-CE1 4.02Å; L363-F605 HydrophobicContact CD2-CZ 4.02Å; L363-L624 HydrophobicContact CD2-CB 4.17Å; L363-L624 HydrophobicContact CG-CB 4.38Å; L363-K628 HydrophobicContact CD2-CG 4.4Å; L363-K628 WeakPolarHBondContact O-CD 3.47Å; L363-K628 WeakPolarHBondContact O-CE 3.17Å; L363-K628 PolarHBondContact O-NZ 3.17Å
364G93.5Very high97.2Very high58 Ų5810.4 Ų10.460%0.5987%0.071SC*.THydrogen-bonded Turntrans81.422.2-179.900000113.8L360 T361 R362L360-G364 PolarHBondContact O-N 3.23Å; T361-G364 WeakPolarHBondContact O-CA 2.99Å; T361-G364 PolarHBondContact O-N 3.02Å; R362-G364 PolarHBondContact O-N 2.89Å
365V94.8Very high97.1Very high5 Ų513.6 Ų13.63%0.039%0.088CC..  trans-89.7130.7169.5-179.40000108.1D315 V316 L360 T361 A367 Y591 L594D315-V365 HydrophobicContact CB-CG1 3.56Å; V316-V365 HydrophobicContact CG2-CG1 3.92Å; L360-V365 HydrophobicContact CB-CB 4.1Å; L360-V365 HydrophobicContact CB-CG1 4.49Å; L360-V365 HydrophobicContact CD2-CB 4.15Å; L360-V365 HydrophobicContact CD2-CG1 4.21Å; L360-V365 HydrophobicContact CD2-CG2 4.14Å; L360-V365 WeakPolarHBondContact O-CB 3.31Å; L360-V365 PolarHBondContact O-N 3.19Å; T361-V365 WeakPolarHBondContact CA-O 3.45Å; V365-A367 PolarHBondContact O-N 2.99Å; V365-Y591 HydrophobicContact CG2-CD2 3.63Å; V365-Y591 HydrophobicContact CG2-CG 4.43Å; V365-L594 HydrophobicContact CG1-CD1 3.7Å; V365-L594 HydrophobicContact CG2-CD1 4.4Å
366S94.7Very high97Very high45 Ų4515.1 Ų15.132%0.31510%0.096SC..  trans-70.3115.9174.954.60000109.5S313 Y314 D315 V316S313-S366 PolarHBondContact O-OG 3.35Å; Y314-S366 WeakPolarHBondContact CA-OG 3.45Å; D315-S366 PolarHBondContact N-O 3.15Å; D315-S366 PolarHBondContact N-OG 3.37Å; V316-S366 PolarHBondContact N-O 2.98Å; V316-S366 VanDerWaalsContact N-O 3.11Å
367A96.9Very high96.8Very high4 Ų423.2 Ų23.23%0.03313%0.134CC..EExtended strand (participates in β ladder)trans-126.3134.9-179.200000112V316 A357 L360 T361 V365V316-A367 VanDerWaalsContact O-CA 3.22Å; V316-A367 WeakPolarHBondContact O-CA 3.39Å; A357-A367 HydrophobicContact CB-CB 4.26Å; L360-A367 HydrophobicContact CB-CB 4.14Å; L360-A367 HydrophobicContact CD1-CB 4.34Å; T361-A367 HydrophobicContact CG2-CB 4.06Å; V365-A367 PolarHBondContact O-N 2.99Å
368K96.6Very high96.7Very high14 Ų1426.2 Ų26.26%0.06115%0.148CC..EExtended strand (participates in β ladder)trans-105.3128.6172.2-168.5177-160.574.50110.2Y314 V316 V317 T318 D390 S392 A438Y314-K368 HydrophobicContact CD1-CB 3.68Å; Y314-K368 HydrophobicContact CD2-CB 3.85Å; Y314-K368 HydrophobicContact CD2-CD 4.11Å; Y314-K368 HydrophobicContact CD2-CG 4.49Å; Y314-K368 HydrophobicContact CE1-CB 3.79Å; Y314-K368 HydrophobicContact CE1-CG 4.33Å; Y314-K368 HydrophobicContact CE2-CB 4.01Å; Y314-K368 HydrophobicContact CE2-CD 3.74Å; Y314-K368 HydrophobicContact CE2-CG 4.21Å; Y314-K368 HydrophobicContact CG-CB 3.69Å; Y314-K368 PolarHBondContact OH-NZ 3.35Å; V316-K368 PolarHBondContact O-N 2.86Å; V317-K368 HydrophobicContact CG2-CB 4.36Å; T318-K368 PolarHBondContact N-O 3.41Å; K368-D390 IonicContact NZ-OD2 2.71Å; K368-D390 PolarHBondContact NZ-OD2 3.13Å; K368-S392 PolarHBondContact NZ-OG 3.43Å; K368-A438 HydrophobicContact CD-CB 3.76Å
369L98.5Very high96.6Very high1 Ų126.6 Ų26.61%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-93.7121.1172.4177.264.9000110.5T318 A322 A353 R354 M389 F391 G393 V394T318-L369 WeakPolarHBondContact OG1-CD1 3.29Å; A322-L369 HydrophobicContact CB-CD2 4.33Å; A353-L369 HydrophobicContact CB-CD1 4.02Å; R354-L369 HydrophobicContact CB-CD1 4.4Å; R354-L369 HydrophobicContact CB-CD2 4Å; R354-L369 HydrophobicContact CG-CD2 3.79Å; L369-M389 HydrophobicContact CD2-CE 4.33Å; L369-F391 HydrophobicContact CD2-CD1 4.21Å; L369-F391 HydrophobicContact CD2-CE1 4.13Å; L369-G393 CarbonylContact O-C 3.58Å; L369-G393 VanDerWaalsContact O-C 3.31Å; L369-G393 WeakPolarHBondContact O-CA 3.14Å; L369-V394 HydrophobicContact CD2-CG2 3.94Å; L369-V394 HydrophobicContact CG-CG2 4.11Å
370I98.4Very high96.5Very high0 Ų029.7 Ų29.70%017%0.17CC..EExtended strand (participates in β ladder)trans-104.3116.7166.7-56.6174.7000108.2V317 T318 I319 G320 G393 L431 H435 I439V317-I370 HydrophobicContact CG1-CD1 3.59Å; V317-I370 HydrophobicContact CG1-CG1 4.06Å; T318-I370 PolarHBondContact O-N 3.07Å; I319-I370 WeakPolarHBondContact CA-O 3.43Å; I319-I370 HydrophobicContact CB-CB 4.44Å; I319-I370 HydrophobicContact CD1-CD1 4.18Å; I319-I370 HydrophobicContact CG1-CB 4.12Å; I319-I370 HydrophobicContact CG1-CD1 4.16Å; I319-I370 HydrophobicContact CG2-CB 4.18Å; I319-I370 HydrophobicContact CG2-CG2 4.19Å; G320-I370 PolarHBondContact N-O 3.34Å; G320-I370 VanDerWaalsContact N-O 3.13Å; I370-G393 WeakPolarHBondContact CA-O 3.25Å; I370-L431 HydrophobicContact CG2-CD2 4.14Å; I370-L431 HydrophobicContact CG2-CG 4Å; I370-H435 HydrophobicContact CD1-CB 3.53Å; I370-H435 HydrophobicContact CG1-CB 4.28Å; I370-I439 HydrophobicContact CD1-CD1 4.37Å
371S98.5Very high96.3Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-156.4-177.6-174.7-166.40000110.8G320 G393 V394 S395 L431G320-S371 VanDerWaalsContact O-CB 3.24Å; G320-S371 WeakPolarHBondContact O-CB 3.45Å; G320-S371 PolarHBondContact O-OG 3.4Å; S371-G393 PolarHBondContact N-O 3.32Å; S371-V394 WeakPolarHBondContact O-CA 3.23Å; S371-S395 PolarHBondContact O-N 3.39Å; S371-L431 WeakPolarHBondContact O-CD2 3.27Å
372A98Very high96.2Very high1 Ų130.4 Ų30.41%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-132.9138.917200000109.9S395 V423 I427A372-S395 VanDerWaalsContact CA-O 3.32Å; A372-S395 WeakPolarHBondContact CA-O 3.16Å; A372-V423 HydrophobicContact CB-CG2 4.11Å; A372-V423 VanDerWaalsContact CB-O 3.31Å; A372-V423 WeakPolarHBondContact CB-O 3.49Å; A372-I427 HydrophobicContact CB-CG1 3.75Å
373A97.9Very high96.2Very high0 Ų034 Ų340%020%0.195CC..EExtended strand (participates in β ladder)trans-141.6167.9-179.400000110.9F379 V394 S395 L396 N397 T402A373-F379 HydrophobicContact CB-CB 4.22Å; A373-F379 HydrophobicContact CB-CD2 3.44Å; A373-F379 VanDerWaalsContact CB-CD2 3.44Å; A373-F379 HydrophobicContact CB-CE2 3.95Å; A373-F379 HydrophobicContact CB-CG 3.86Å; A373-V394 HydrophobicContact CB-CG1 3.77Å; A373-S395 PolarHBondContact N-O 3.08Å; A373-L396 HydrophobicContact CB-CD2 4.1Å; A373-L396 CarbonylContact O-C 3.6Å; A373-L396 WeakPolarHBondContact O-CA 3.18Å; A373-N397 PolarHBondContact O-N 3.27Å; A373-T402 HydrophobicContact CB-CG2 4.32Å
374G96.4Very high96Very high0 Ų038.3 Ų38.30%023%0.226CC..EExtended strand (participates in β ladder)trans-74.5155.1170.300000110.9D376 F379 N397 M400 T402G374-D376 PolarHBondContact O-N 3.36Å; G374-D376 VanDerWaalsContact O-N 3.1Å; G374-F379 WeakPolarHBondContact O-CB 3.39Å; G374-N397 WeakPolarHBondContact CA-O 3.35Å; G374-M400 WeakPolarHBondContact CA-O 3.45Å; G374-T402 PolarHBondContact N-OG1 3.48Å
375D95.6Very high95.9Very high70 Ų7042.9 Ų42.937%0.37423%0.229SC..SBendtrans-82.167.9163.2-169.113.6000109.1R297 L396 N397 P398R297-D375 IonicContact NH2-OD1 2.78Å; R297-D375 IonicContact NH2-OD2 2.89Å; R297-D375 PolarHBondContact NH2-OD2 3.12Å; D375-L396 HydrophobicContact CB-CB 4.21Å; D375-N397 PolarHBondContact N-O 3.38Å; D375-P398 HydrophobicContact CB-CB 4.4Å
376D96.1Very high95.8Very high39 Ų3942.8 Ų42.821%0.20923%0.229CC..SBendtrans-132.2171.3-172.961.824.6000113.6G374 E378 F379 C380 S401 T402G374-D376 PolarHBondContact O-N 3.36Å; G374-D376 VanDerWaalsContact O-N 3.1Å; D376-E378 PolarHBondContact O-N 2.87Å; D376-E378 PolarHBondContact OD1-N 3.19Å; D376-F379 PolarHBondContact O-N 3.05Å; D376-F379 PolarHBondContact OD1-N 3.32Å; D376-C380 PolarHBondContact O-N 2.97Å; D376-C380 VanDerWaalsContact O-N 3.12Å; D376-C380 PolarHBondContact O-SG 3.2Å; D376-S401 WeakPolarHBondContact OD2-CA 3.25Å; D376-T402 VanDerWaalsContact CG-OG1 3.29Å; D376-T402 WeakPolarHBondContact OD1-CB 3.42Å; D376-T402 PolarHBondContact OD1-OG1 2.88Å; D376-T402 WeakPolarHBondContact OD2-CB 3.32Å; D376-T402 PolarHBondContact OD2-N 2.93Å; D376-T402 PolarHBondContact OD2-OG1 2.85Å
377E95.1Very high95.7Very high170 Ų17045.9 Ų45.979%0.79425%0.248SC*.Hα-helixtrans-62-30.5-179.7-66.2-175172.400112.6C380 A381E377-C380 PolarHBondContact O-N 3.33Å; E377-A381 WeakPolarHBondContact O-CB 3.47Å; E377-A381 PolarHBondContact O-N 3.25Å
378E95.8Very high95.4Very high65 Ų6549 Ų4930%0.30426%0.261SS..Hα-helixtrans-67.3-44-179.9-66.5-63.3173.400111V324 K347 D376 A381 M382V324-E378 HydrophobicContact CG2-CB 3.86Å; K347-E378 IonicContact NZ-OE1 2.78Å; K347-E378 PolarHBondContact NZ-OE1 3.1Å; K347-E378 IonicContact NZ-OE2 2.87Å; D376-E378 PolarHBondContact O-N 2.87Å; D376-E378 PolarHBondContact OD1-N 3.19Å; E378-A381 PolarHBondContact O-N 3.08Å; E378-M382 PolarHBondContact O-N 2.95Å; E378-M382 VanDerWaalsContact O-N 3.09Å
379F97.1Very high95.4Very high12 Ų1249 Ų495%0.05326%0.262CS..Hα-helixtrans-66.2-39.4171.9-176.8-108.8000112.4A373 G374 D376 A381 M382 K383 F391 V394 L396 T402A373-F379 HydrophobicContact CB-CB 4.22Å; A373-F379 HydrophobicContact CB-CD2 3.44Å; A373-F379 VanDerWaalsContact CB-CD2 3.44Å; A373-F379 HydrophobicContact CB-CE2 3.95Å; A373-F379 HydrophobicContact CB-CG 3.86Å; G374-F379 WeakPolarHBondContact O-CB 3.39Å; D376-F379 PolarHBondContact O-N 3.05Å; D376-F379 PolarHBondContact OD1-N 3.32Å; F379-A381 VanDerWaalsContact C-N 3.32Å; F379-A381 PolarHBondContact O-N 2.87Å; F379-M382 WeakPolarHBondContact O-CB 3.49Å; F379-M382 PolarHBondContact O-N 3.35Å; F379-K383 PolarHBondContact O-N 3.32Å; F379-F391 AromaticContact CE2-CD1 3.87Å; F379-F391 HydrophobicContact CE2-CD1 3.87Å; F379-F391 HydrophobicContact CE2-CE1 4.35Å; F379-F391 HydrophobicContact CZ-CB 4.18Å; F379-F391 HydrophobicContact CZ-CD1 4.01Å; F379-F391 HydrophobicContact CZ-CG 4.34Å; F379-V394 HydrophobicContact CE2-CB 4.15Å; F379-V394 HydrophobicContact CE2-CG1 3.68Å; F379-V394 HydrophobicContact CE2-CG2 4.38Å; F379-V394 HydrophobicContact CZ-CB 3.96Å; F379-V394 HydrophobicContact CZ-CG1 3.85Å; F379-V394 HydrophobicContact CZ-CG2 4.46Å; F379-L396 HydrophobicContact CD1-CD1 4.28Å; F379-L396 HydrophobicContact CD1-CD2 3.44Å; F379-L396 VanDerWaalsContact CD1-CD2 3.44Å; F379-L396 HydrophobicContact CE1-CD1 4.18Å; F379-L396 HydrophobicContact CE1-CD2 3.36Å; F379-L396 HydrophobicContact CE1-CG 4.33Å; F379-L396 HydrophobicContact CE2-CD2 4.44Å; F379-L396 HydrophobicContact CG-CD2 4.04Å; F379-L396 HydrophobicContact CZ-CD2 3.88Å; F379-T402 WeakPolarHBondContact CB-OG1 3.17Å
380C94.5Very high95.1Very high66 Ų6650.7 Ų50.745%0.44627%0.271SS..Hα-helixtrans-60.9-42.4177-67.90000111.7D376 E377 K383 S384D376-C380 PolarHBondContact O-N 2.97Å; D376-C380 VanDerWaalsContact O-N 3.12Å; D376-C380 PolarHBondContact O-SG 3.2Å; E377-C380 PolarHBondContact O-N 3.33Å; C380-K383 PolarHBondContact O-N 3.35Å; C380-S384 WeakPolarHBondContact O-CB 3.36Å; C380-S384 PolarHBondContact O-N 3.45Å
381A94.3Very high95Very high41 Ų4151.4 Ų51.434%0.33927%0.274SS..Hα-helixtrans-62.8-43.2175.400000111.8F349 E377 E378 F379 S384 K385F349-A381 HydrophobicContact CZ-CB 4.48Å; E377-A381 WeakPolarHBondContact O-CB 3.47Å; E377-A381 PolarHBondContact O-N 3.25Å; E378-A381 PolarHBondContact O-N 3.08Å; F379-A381 VanDerWaalsContact C-N 3.32Å; F379-A381 PolarHBondContact O-N 2.87Å; A381-S384 PolarHBondContact O-N 3.49Å; A381-K385 WeakPolarHBondContact O-CG 3.35Å; A381-K385 PolarHBondContact O-N 3Å
382M95.8Very high94.7Very high0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-57.7-50.3175.2-172.9-173.8-59.400111.6A322 S323 V324 F349 R354 E378 F379 S384 K385 C386 F391A322-M382 HydrophobicContact CB-CE 4.45Å; A322-M382 HydrophobicContact CB-SD 4.21Å; S323-M382 WeakPolarHBondContact O-CE 3.22Å; V324-M382 HydrophobicContact CG2-CE 4.15Å; F349-M382 HydrophobicContact CB-CE 4.49Å; F349-M382 HydrophobicContact CB-CG 4.48Å; F349-M382 HydrophobicContact CD1-CB 3.79Å; F349-M382 HydrophobicContact CD1-CE 3.94Å; F349-M382 HydrophobicContact CD1-CG 3.81Å; F349-M382 HydrophobicContact CD2-CG 4.43Å; F349-M382 VanDerWaalsContact CE1-CA 3.48Å; F349-M382 HydrophobicContact CE1-CB 3.67Å; F349-M382 HydrophobicContact CE1-CG 4.18Å; F349-M382 HydrophobicContact CG-CB 4.37Å; F349-M382 HydrophobicContact CG-CE 4.5Å; F349-M382 HydrophobicContact CG-CG 3.96Å; F349-M382 VanDerWaalsContact CZ-CA 3.45Å; F349-M382 HydrophobicContact CZ-CB 4.16Å; R354-M382 HydrophobicContact CG-SD 4.2Å; E378-M382 PolarHBondContact O-N 2.95Å; E378-M382 VanDerWaalsContact O-N 3.09Å; F379-M382 WeakPolarHBondContact O-CB 3.49Å; F379-M382 PolarHBondContact O-N 3.35Å; M382-S384 VanDerWaalsContact C-N 3.33Å; M382-S384 PolarHBondContact O-N 3.39Å; M382-K385 PolarHBondContact O-N 3.1Å; M382-C386 PolarHBondContact O-N 3.38Å; M382-C386 VanDerWaalsContact O-N 3.08Å; M382-F391 HydrophobicContact CG-CE1 4.18Å; M382-F391 HydrophobicContact CG-CZ 4.09Å; M382-F391 HydrophobicContact SD-CE1 3.92Å; M382-F391 HydrophobicContact SD-CZ 4.4Å
383K94.9Very high94.5Very high121 Ų12155 Ų5553%0.52630%0.3SS..Hα-helixtrans-61.4-40.8179.2-172.5176.4-179.6-179.20112.2F379 C380 K385 F391F379-K383 PolarHBondContact O-N 3.32Å; C380-K383 PolarHBondContact O-N 3.35Å; K383-K385 VanDerWaalsContact C-N 3.35Å; K383-K385 PolarHBondContact O-N 3.41Å; K383-F391 HydrophobicContact CB-CD2 4.3Å; K383-F391 HydrophobicContact CB-CE2 4.41Å; K383-F391 HydrophobicContact CG-CD2 3.9Å; K383-F391 HydrophobicContact CG-CE2 4.37Å; K383-F391 HydrophobicContact CG-CG 4.42Å
384S92.9Very high94.5Very high93 Ų9355.8 Ų55.865%0.6530%0.304SS*.Hα-helixtrans-65.4-35.9179177.40000113C380 A381 M382C380-S384 WeakPolarHBondContact O-CB 3.36Å; C380-S384 PolarHBondContact O-N 3.45Å; A381-S384 PolarHBondContact O-N 3.49Å; M382-S384 VanDerWaalsContact C-N 3.33Å; M382-S384 PolarHBondContact O-N 3.39Å
385K92.1Very high94.4Very high153 Ų15357.3 Ų57.367%0.66532%0.315SS*.Hα-helixtrans-86.1-15.9-178.3-68.6-66.4-175.5-178.70114.2F349 A381 M382 K383 P387F349-K385 HydrophobicContact CE2-CB 3.55Å; F349-K385 HydrophobicContact CE2-CG 3.92Å; F349-K385 HydrophobicContact CZ-CB 4.16Å; F349-K385 HydrophobicContact CZ-CG 4.16Å; A381-K385 WeakPolarHBondContact O-CG 3.35Å; A381-K385 PolarHBondContact O-N 3Å; M382-K385 PolarHBondContact O-N 3.1Å; K383-K385 VanDerWaalsContact C-N 3.35Å; K383-K385 PolarHBondContact O-N 3.41Å; K385-P387 WeakPolarHBondContact O-CD 3.45Å
386C92.3Very high94.4Very high4 Ų457.3 Ų57.33%0.02732%0.315CS..  trans-119.855.9179-61.90000112.3M382 H388 M389 F391M382-C386 PolarHBondContact O-N 3.38Å; M382-C386 VanDerWaalsContact O-N 3.08Å; C386-H388 PolarHBondContact O-N 3.42Å; C386-H388 VanDerWaalsContact O-N 3.1Å; C386-M389 HydrophobicContact CB-CB 4.42Å; C386-M389 HydrophobicContact CB-CG 4.1Å; C386-M389 HydrophobicContact CB-SD 3.84Å; C386-M389 PolarHBondContact O-N 3.11Å; C386-F391 HydrophobicContact CB-CE2 3.92Å; C386-F391 HydrophobicContact CB-CZ 3.93Å; C386-F391 WeakPolarHBondContact O-CE2 3.39Å
387P91.9Very high94.1Very high110 Ų11057.3 Ų57.371%0.71432%0.315SS*.THydrogen-bonded Turntrans-66.3-15.7-173.929.7-37.1000113.9K385 M389K385-P387 WeakPolarHBondContact O-CD 3.45Å; P387-M389 VanDerWaalsContact C-N 3.31Å
388H90.7Very high94Very high68 Ų6853.9 Ų53.932%0.31531%0.307SS..THydrogen-bonded Turntrans-80.1-8.317658.7-68.7000113.8D358 T361 R362 C386D358-H388 IonicContact OD1-CD2 3.8Å; D358-H388 IonicContact OD1-CE1 2.69Å; D358-H388 PolarHBondContact OD1-CE1 2.94Å; D358-H388 IonicContact OD1-NE2 3.72Å; D358-H388 PolarHBondContact OD1-NE2 2.7Å; T361-H388 PolarHBondContact OG1-CD2 3.27Å; R362-H388 PolarHBondContact NH2-CE1 3.32Å; C386-H388 PolarHBondContact O-N 3.42Å; C386-H388 VanDerWaalsContact O-N 3.1Å
389M95.7Very high93.9Very high15 Ų1558 Ų587%0.07433%0.331CS..SBendtrans-97.7147.2178.5-64-175.467.700112.2R354 A357 D358 L369 C386 P387 F391R354-M389 HydrophobicContact CG-CE 3.88Å; R354-M389 HydrophobicContact CG-SD 4.48Å; R354-M389 WeakPolarHBondContact O-CE 3.49Å; A357-M389 HydrophobicContact CB-CE 3.59Å; D358-M389 HydrophobicContact CB-CE 4.16Å; D358-M389 HydrophobicContact CB-SD 3.56Å; D358-M389 VanDerWaalsContact CB-SD 3.56Å; L369-M389 HydrophobicContact CD2-CE 4.33Å; C386-M389 HydrophobicContact CB-CB 4.42Å; C386-M389 HydrophobicContact CB-CG 4.1Å; C386-M389 HydrophobicContact CB-SD 3.84Å; C386-M389 PolarHBondContact O-N 3.11Å; P387-M389 VanDerWaalsContact C-N 3.31Å; M389-F391 HydrophobicContact CB-CD2 4.21Å; M389-F391 HydrophobicContact CB-CE2 3.7Å; M389-F391 HydrophobicContact CB-CZ 4.11Å; M389-F391 HydrophobicContact SD-CZ 4.14Å
390D93.7Very high93.8Very high37 Ų3760.2 Ų60.220%0.19834%0.342CS..EExtended strand (participates in β ladder)trans-90.4107.7171.1178.118.8000111.8Y314 K368 S392Y314-D390 HydrophobicContact CE1-CB 4.28Å; Y314-D390 VanDerWaalsContact CZ-OD2 3.31Å; Y314-D390 PolarHBondContact OH-OD2 3.38Å; K368-D390 IonicContact NZ-OD2 2.71Å; K368-D390 PolarHBondContact NZ-OD2 3.13Å; D390-S392 WeakPolarHBondContact OD1-CB 3.49Å; D390-S392 PolarHBondContact OD1-N 3.46Å; D390-S392 PolarHBondContact OD1-OG 3.49Å; D390-S392 PolarHBondContact OD2-OG 2.9Å
391F95Very high94Very high15 Ų1560.4 Ų60.47%0.06634%0.344CS..EExtended strand (participates in β ladder)trans-93.35.7175.8-68.6-82.2000114.1L369 F379 M382 K383 C386 M389 G393 V394L369-F391 HydrophobicContact CD2-CD1 4.21Å; L369-F391 HydrophobicContact CD2-CE1 4.13Å; F379-F391 AromaticContact CE2-CD1 3.87Å; F379-F391 HydrophobicContact CE2-CD1 3.87Å; F379-F391 HydrophobicContact CE2-CE1 4.35Å; F379-F391 HydrophobicContact CZ-CB 4.18Å; F379-F391 HydrophobicContact CZ-CD1 4.01Å; F379-F391 HydrophobicContact CZ-CG 4.34Å; M382-F391 HydrophobicContact CG-CE1 4.18Å; M382-F391 HydrophobicContact CG-CZ 4.09Å; M382-F391 HydrophobicContact SD-CE1 3.92Å; M382-F391 HydrophobicContact SD-CZ 4.4Å; K383-F391 HydrophobicContact CB-CD2 4.3Å; K383-F391 HydrophobicContact CB-CE2 4.41Å; K383-F391 HydrophobicContact CG-CD2 3.9Å; K383-F391 HydrophobicContact CG-CE2 4.37Å; K383-F391 HydrophobicContact CG-CG 4.42Å; C386-F391 HydrophobicContact CB-CE2 3.92Å; C386-F391 HydrophobicContact CB-CZ 3.93Å; C386-F391 WeakPolarHBondContact O-CE2 3.39Å; M389-F391 HydrophobicContact CB-CD2 4.21Å; M389-F391 HydrophobicContact CB-CE2 3.7Å; M389-F391 HydrophobicContact CB-CZ 4.11Å; M389-F391 HydrophobicContact SD-CZ 4.14Å; F391-G393 PolarHBondContact O-N 3.04Å; F391-V394 HydrophobicContact CB-CG2 4.33Å; F391-V394 HydrophobicContact CD1-CG2 3.93Å; F391-V394 WeakPolarHBondContact O-CB 3.05Å; F391-V394 PolarHBondContact O-N 3.34Å
392S92.8Very high94.1Very high76 Ų7658.7 Ų58.753%0.53133%0.33SS..EExtended strand (participates in β ladder)trans-65.8-16.6-179.765.70000114K368 D390K368-S392 PolarHBondContact NZ-OG 3.43Å; D390-S392 WeakPolarHBondContact OD1-CB 3.49Å; D390-S392 PolarHBondContact OD1-N 3.46Å; D390-S392 PolarHBondContact OD1-OG 3.49Å; D390-S392 PolarHBondContact OD2-OG 2.9Å
393G94.3Very high94.2Very high1 Ų158.7 Ų58.71%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-87.60.817100000114.6L369 I370 S371 F391L369-G393 CarbonylContact O-C 3.58Å; L369-G393 VanDerWaalsContact O-C 3.31Å; L369-G393 WeakPolarHBondContact O-CA 3.14Å; I370-G393 WeakPolarHBondContact CA-O 3.25Å; S371-G393 PolarHBondContact N-O 3.32Å; F391-G393 PolarHBondContact O-N 3.04Å
394V97.4Very high94.3Very high15 Ų1554.5 Ų54.59%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-90.7115.9178.5-173.30000110.4L369 S371 A373 F379 F391 L396L369-V394 HydrophobicContact CD2-CG2 3.94Å; L369-V394 HydrophobicContact CG-CG2 4.11Å; S371-V394 WeakPolarHBondContact O-CA 3.23Å; A373-V394 HydrophobicContact CB-CG1 3.77Å; F379-V394 HydrophobicContact CE2-CB 4.15Å; F379-V394 HydrophobicContact CE2-CG1 3.68Å; F379-V394 HydrophobicContact CE2-CG2 4.38Å; F379-V394 HydrophobicContact CZ-CB 3.96Å; F379-V394 HydrophobicContact CZ-CG1 3.85Å; F379-V394 HydrophobicContact CZ-CG2 4.46Å; F391-V394 HydrophobicContact CB-CG2 4.33Å; F391-V394 HydrophobicContact CD1-CG2 3.93Å; F391-V394 WeakPolarHBondContact O-CB 3.05Å; F391-V394 PolarHBondContact O-N 3.34Å; V394-L396 HydrophobicContact CG1-CD2 4.32Å
395S94.9Very high94.4Very high32 Ų3252.5 Ų52.522%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-79.3127.9174.3-160.50000110.3S371 A372 A373S371-S395 PolarHBondContact O-N 3.39Å; A372-S395 VanDerWaalsContact CA-O 3.32Å; A372-S395 WeakPolarHBondContact CA-O 3.16Å; A373-S395 PolarHBondContact N-O 3.08Å
396L95.4Very high94.5Very high71 Ų7148.1 Ų48.137%0.37228%0.278SS..EExtended strand (participates in β ladder)trans-92.5135.3175.7-52.9-175.9000110.9A373 D375 F379 V394A373-L396 HydrophobicContact CB-CD2 4.1Å; A373-L396 CarbonylContact O-C 3.6Å; A373-L396 WeakPolarHBondContact O-CA 3.18Å; D375-L396 HydrophobicContact CB-CB 4.21Å; F379-L396 HydrophobicContact CD1-CD1 4.28Å; F379-L396 HydrophobicContact CD1-CD2 3.44Å; F379-L396 VanDerWaalsContact CD1-CD2 3.44Å; F379-L396 HydrophobicContact CE1-CD1 4.18Å; F379-L396 HydrophobicContact CE1-CD2 3.36Å; F379-L396 HydrophobicContact CE1-CG 4.33Å; F379-L396 HydrophobicContact CE2-CD2 4.44Å; F379-L396 HydrophobicContact CG-CD2 4.04Å; F379-L396 HydrophobicContact CZ-CD2 3.88Å; V394-L396 HydrophobicContact CG1-CD2 4.32Å
397N90.4Very high94.5Very high39 Ų3948 Ų4821%0.20928%0.276CS..EExtended strand (participates in β ladder)trans-117112.3174.1-170-29.5000109.4A373 G374 D375 N399 M400 V423A373-N397 PolarHBondContact O-N 3.27Å; G374-N397 WeakPolarHBondContact CA-O 3.35Å; D375-N397 PolarHBondContact N-O 3.38Å; N397-N399 PolarHBondContact O-N 3.27Å; N397-N399 PolarHBondContact OD1-N 3.21Å; N397-M400 HydrophobicContact CB-CB 4.23Å; N397-M400 HydrophobicContact CB-CG 4.33Å; N397-M400 PolarHBondContact ND2-SD 3Å; N397-M400 PolarHBondContact O-N 3.33Å; N397-M400 VanDerWaalsContact O-O 3.1Å; N397-V423 HydrophobicContact CB-CG2 4.4Å
398P91.9Very high94.4Very high98 Ų9846.2 Ų46.264%0.63626%0.258SS*.THydrogen-bonded Turntrans-70.9-13.5-177.629.8-35.9000113.6D375D375-P398 HydrophobicContact CB-CB 4.4Å
399N93.6Very high94.3Very high151 Ų15145.3 Ų45.381%0.80725%0.253SS*.THydrogen-bonded Turntrans-100.24.9-178.2-59.4-40000112.9N397N397-N399 PolarHBondContact O-N 3.27Å; N397-N399 PolarHBondContact OD1-N 3.21Å
400M95.8Very high93.7Very high58 Ų5845.6 Ų45.629%0.28625%0.254SS..SBendtrans-134.5153-178.7-57.2-174.780.800109.9G374 N397 D422 V423G374-M400 WeakPolarHBondContact CA-O 3.45Å; N397-M400 HydrophobicContact CB-CB 4.23Å; N397-M400 HydrophobicContact CB-CG 4.33Å; N397-M400 PolarHBondContact ND2-SD 3Å; N397-M400 PolarHBondContact O-N 3.33Å; N397-M400 VanDerWaalsContact O-O 3.1Å; M400-D422 HydrophobicContact CE-CB 3.43Å; M400-D422 VanDerWaalsContact CE-CB 3.43Å; M400-D422 WeakPolarHBondContact CE-O 3.44Å; M400-V423 HydrophobicContact CB-CB 4.29Å; M400-V423 HydrophobicContact CB-CG2 4.18Å; M400-V423 HydrophobicContact CE-CB 4.37Å; M400-V423 VanDerWaalsContact CE-N 3.35Å; M400-V423 HydrophobicContact SD-CB 4.43Å; M400-V423 HydrophobicContact SD-CG2 4.4Å
401S97.3Very high93Very high70 Ų7049.8 Ų49.849%0.4927%0.271SS..PPolyproline II helixtrans-84.2149172.3-540000111.1D376 A403D376-S401 WeakPolarHBondContact OD2-CA 3.25Å; S401-A403 PolarHBondContact O-N 2.83Å
402T98.2Very high92Very high5 Ų559.9 Ų59.93%0.03131%0.308CS..PPolyproline II helixtrans-52.9136.8163.7-64.50000109.4V324 A373 G374 D376 F379 S404V324-T402 HydrophobicContact CG2-CG2 4.39Å; A373-T402 HydrophobicContact CB-CG2 4.32Å; G374-T402 PolarHBondContact N-OG1 3.48Å; D376-T402 VanDerWaalsContact CG-OG1 3.29Å; D376-T402 WeakPolarHBondContact OD1-CB 3.42Å; D376-T402 PolarHBondContact OD1-OG1 2.88Å; D376-T402 WeakPolarHBondContact OD2-CB 3.32Å; D376-T402 PolarHBondContact OD2-N 2.93Å; D376-T402 PolarHBondContact OD2-OG1 2.85Å; F379-T402 WeakPolarHBondContact CB-OG1 3.17Å; T402-S404 PolarHBondContact O-N 2.9Å
403A98Very high91.4Very high0 Ų065.5 Ų65.50%032%0.318CS..EExtended strand (participates in β ladder)trans-57.3139.9-177.700000110.6S323 V324 S401 N420 N421 V423 Y424S323-A403 CarbonylContact C-O 2.93Å; S323-A403 WeakPolarHBondContact CA-O 3.37Å; S323-A403 VanDerWaalsContact CB-O 3.3Å; S323-A403 WeakPolarHBondContact CB-O 3.45Å; V324-A403 PolarHBondContact N-O 3.41Å; S401-A403 PolarHBondContact O-N 2.83Å; A403-N420 CarbonylContact C-O 3.46Å; A403-N420 WeakPolarHBondContact CA-O 3.33Å; A403-N420 WeakPolarHBondContact CB-O 3.42Å; A403-N421 HydrophobicContact CB-CB 4.15Å; A403-V423 HydrophobicContact CB-CG1 4Å; A403-Y424 HydrophobicContact CB-CD1 4.35Å; A403-Y424 HydrophobicContact CB-CE1 3.53Å; A403-Y424 HydrophobicContact CB-CE2 4.05Å; A403-Y424 VanDerWaalsContact CB-OH 3.26Å; A403-Y424 WeakPolarHBondContact CB-OH 3.47Å
404S96.6Very high90.9Very high34 Ų3469.6 Ų69.624%0.23834%0.339CS..EExtended strand (participates in β ladder)trans-139.2141.4-178.958.60000112.4V324 T402 N420V324-S404 CarbonylContact O-C 3.59Å; V324-S404 WeakPolarHBondContact O-CA 3.49Å; V324-S404 WeakPolarHBondContact O-CB 3.34Å; T402-S404 PolarHBondContact O-N 2.9Å; S404-N420 PolarHBondContact N-O 3.32Å; S404-N420 PolarHBondContact O-N 3.27Å
405Y94.5Very high90.3Very high51 Ų5173.7 Ų73.720%0.236%0.356CS..EExtended strand (participates in β ladder)trans-116133.7173174.1-102.6000109.4V324 D325 V326 Y327 G417 I418 L419V324-Y405 PolarHBondContact O-N 3.1Å; D325-Y405 CarbonylContact C-O 3.55Å; D325-Y405 WeakPolarHBondContact CA-O 3.34Å; D325-Y405 HydrophobicContact CB-CD1 4.42Å; V326-Y405 PolarHBondContact N-O 2.95Å; Y327-Y405 HydrophobicContact CE1-CD1 4.25Å; Y327-Y405 AromaticContact CE1-CE1 3.82Å; Y327-Y405 HydrophobicContact CE1-CE1 3.82Å; Y405-G417 WeakPolarHBondContact OH-CA 3.33Å; Y405-I418 CarbonylContact C-O 3.58Å; Y405-I418 WeakPolarHBondContact CA-O 3.4Å; Y405-I418 WeakPolarHBondContact CD2-O 3.38Å; Y405-L419 HydrophobicContact CD2-CB 4.36Å; Y405-L419 HydrophobicContact CD2-CD1 4.45Å
406I94.5Very high89.7Confident61 Ų6179.8 Ų79.831%0.31338%0.375SS..EExtended strand (participates in β ladder)trans-119.7114.5175.9-51.6-179.1000108.9V326 F408 G417 I418V326-I406 HydrophobicContact CB-CG1 4.36Å; V326-I406 CarbonylContact O-C 3.31Å; V326-I406 VanDerWaalsContact O-CA 3.27Å; V326-I406 WeakPolarHBondContact O-CA 3.32Å; I406-F408 HydrophobicContact CB-CE2 4.3Å; I406-F408 HydrophobicContact CG2-CD2 4.23Å; I406-F408 HydrophobicContact CG2-CE1 4.47Å; I406-F408 HydrophobicContact CG2-CE2 3.56Å; I406-F408 HydrophobicContact CG2-CZ 3.7Å; I406-G417 CarbonylContact O-C 3.48Å; I406-G417 WeakPolarHBondContact O-CA 3.38Å; I406-I418 PolarHBondContact N-O 2.9Å; I406-I418 PolarHBondContact O-N 3.46Å
407G91.9Very high89.4Confident0 Ų078.6 Ų78.60%038%0.38CS..EExtended strand (participates in β ladder)trans-103.6123.9176.400000111.9V326 A328V326-G407 PolarHBondContact O-N 2.93Å; A328-G407 PolarHBondContact N-O 2.94Å
408F90.9Very high89.5Confident74 Ų7481.7 Ų81.733%0.32540%0.395SS..EExtended strand (participates in β ladder)trans-100.2120.9176.2-65.6-89.9000110.5A328 I406 K415 Y416 I418A328-F408 HydrophobicContact CB-CD1 4.27Å; A328-F408 HydrophobicContact CB-CE1 4.47Å; A328-F408 CarbonylContact O-C 3.5Å; A328-F408 WeakPolarHBondContact O-CA 3.48Å; I406-F408 HydrophobicContact CB-CE2 4.3Å; I406-F408 HydrophobicContact CG2-CD2 4.23Å; I406-F408 HydrophobicContact CG2-CE1 4.47Å; I406-F408 HydrophobicContact CG2-CE2 3.56Å; I406-F408 HydrophobicContact CG2-CZ 3.7Å; F408-K415 PolarHBondContact O-N 2.96Å; F408-Y416 PolarHBondContact N-O 3.08Å; F408-I418 HydrophobicContact CE2-CD1 4.2Å
409F86.7Confident89.6Confident48 Ų4880.4 Ų80.421%0.21138%0.383CS..EExtended strand (participates in β ladder)trans-109.6133.9179.4-72.9-104.8000111.2Y327 A328 S329 A330 R413 L414Y327-F409 HydrophobicContact CD1-CD2 4.4Å; Y327-F409 AromaticContact CD1-CE2 3.58Å; Y327-F409 HydrophobicContact CD1-CE2 3.58Å; Y327-F409 HydrophobicContact CD1-CZ 4.39Å; Y327-F409 HydrophobicContact CE1-CE2 4.09Å; Y327-F409 HydrophobicContact CG-CE2 4.48Å; A328-F409 PolarHBondContact O-N 3.38Å; S329-F409 WeakPolarHBondContact CA-O 3.37Å; A330-F409 PolarHBondContact N-O 2.81Å; F409-R413 CarbonylContact C-O 3.5Å; F409-R413 VanDerWaalsContact CA-O 3.27Å; F409-R413 WeakPolarHBondContact CA-O 3.35Å; F409-R413 VanDerWaalsContact CD1-C 3.48Å; F409-L414 HydrophobicContact CD1-CB 4.2Å; F409-L414 VanDerWaalsContact CD1-N 3.32Å; F409-L414 HydrophobicContact CD2-CD1 4.06Å; F409-L414 HydrophobicContact CE1-CB 3.79Å; F409-L414 HydrophobicContact CE2-CB 4.36Å; F409-L414 HydrophobicContact CE2-CD1 3.6Å; F409-L414 HydrophobicContact CZ-CB 3.88Å; F409-L414 HydrophobicContact CZ-CD1 3.89Å; F409-L414 HydrophobicContact CZ-CG 4.41Å
410E84.5Confident89.7Confident22 Ų2276 Ų7610%0.10336%0.359CS..EExtended strand (participates in β ladder)trans-118126.7168.4178.8-175.3-93.200108.3I334 R412 R413 K415I334-E410 HydrophobicContact CD1-CB 4.38Å; I334-E410 PolarHBondContact N-OE1 2.86Å; E410-R412 PolarHBondContact O-N 2.55Å; E410-R412 VanDerWaalsContact O-N 3.12Å; E410-R413 PolarHBondContact N-O 2.83Å; E410-R413 PolarHBondContact O-N 2.7Å; E410-K415 HydrophobicContact CB-CD 4.46Å; E410-K415 HydrophobicContact CB-CG 3.76Å; E410-K415 WeakPolarHBondContact OE2-CE 3.49Å; E410-K415 IonicContact OE2-NZ 2.87Å; E410-K415 PolarHBondContact OE2-NZ 3.44Å
411K79.4Confident89.6Confident125 Ų12575 Ų7554%0.54336%0.355SS..THydrogen-bonded Turntrans49.441.6-179.3-60.9171.7-173.2164.10112.2E333 R413E333-K411 IonicContact OE2-NZ 3.07Å; E333-K411 PolarHBondContact OE2-NZ 3.13Å; K411-R413 VanDerWaalsContact C-N 3.25Å; K411-R413 PolarHBondContact O-N 2.96Å
412R73.8Confident89.6Confident227 Ų22776 Ų7686%0.85735%0.354SS*.THydrogen-bonded Turntrans63.614.9-175.8-54.2-178.1177.2-178.9-1.4116E410E410-R412 PolarHBondContact O-N 2.55Å; E410-R412 VanDerWaalsContact O-N 3.12Å
413R79.1Confident89.6Confident194 Ų19475.8 Ų75.873%0.73235%0.353SS*.EExtended strand (participates in β ladder)trans-107.4129.7171.9-64.3-174.7177.6-168.3-0.4110.1F409 E410 K411 K415F409-R413 CarbonylContact C-O 3.5Å; F409-R413 VanDerWaalsContact CA-O 3.27Å; F409-R413 WeakPolarHBondContact CA-O 3.35Å; F409-R413 VanDerWaalsContact CD1-C 3.48Å; E410-R413 PolarHBondContact N-O 2.83Å; E410-R413 PolarHBondContact O-N 2.7Å; K411-R413 VanDerWaalsContact C-N 3.25Å; K411-R413 PolarHBondContact O-N 2.96Å; R413-K415 PolarHBondContact O-N 2.9Å
414L83.6Confident89.6Confident87 Ų8776 Ų7646%0.45535%0.354SS..EExtended strand (participates in β ladder)trans-62.3123172.1-177.868.8000109.2F409 Y416F409-L414 HydrophobicContact CD1-CB 4.2Å; F409-L414 VanDerWaalsContact CD1-N 3.32Å; F409-L414 HydrophobicContact CD2-CD1 4.06Å; F409-L414 HydrophobicContact CE1-CB 3.79Å; F409-L414 HydrophobicContact CE2-CB 4.36Å; F409-L414 HydrophobicContact CE2-CD1 3.6Å; F409-L414 HydrophobicContact CZ-CB 3.88Å; F409-L414 HydrophobicContact CZ-CD1 3.89Å; F409-L414 HydrophobicContact CZ-CG 4.41Å; L414-Y416 WeakPolarHBondContact CD1-O 3.47Å
415K84.9Confident89.5Confident101 Ų10179.4 Ų79.444%0.43937%0.37SS..EExtended strand (participates in β ladder)trans-98.1-50.8176.2-74-75.8-176147.90111.5F408 E410 R413F408-K415 PolarHBondContact O-N 2.96Å; E410-K415 HydrophobicContact CB-CD 4.46Å; E410-K415 HydrophobicContact CB-CG 3.76Å; E410-K415 WeakPolarHBondContact OE2-CE 3.49Å; E410-K415 IonicContact OE2-NZ 2.87Å; E410-K415 PolarHBondContact OE2-NZ 3.44Å; R413-K415 PolarHBondContact O-N 2.9Å
416Y83.9Confident89.6Confident160 Ų16078.7 Ų78.763%0.62737%0.372SS*.EExtended strand (participates in β ladder)trans-137.1145.8-175.8-52-69.9000110.7F408 L414F408-Y416 PolarHBondContact N-O 3.08Å; L414-Y416 WeakPolarHBondContact CD1-O 3.47Å
417G89Confident89.8Confident46 Ų4675.8 Ų75.847%0.47436%0.357SS..EExtended strand (participates in β ladder)trans-128.8127.5171.600000109.7Y405 I406Y405-G417 WeakPolarHBondContact OH-CA 3.33Å; I406-G417 CarbonylContact O-C 3.48Å; I406-G417 WeakPolarHBondContact O-CA 3.38Å
418I92.5Very high90Very high103 Ų10377.2 Ų77.253%0.52837%0.367SS..EExtended strand (participates in β ladder)trans-115.2128.4175.2-58.6177.7000107.9Y405 I406 F408Y405-I418 CarbonylContact C-O 3.58Å; Y405-I418 WeakPolarHBondContact CA-O 3.4Å; Y405-I418 WeakPolarHBondContact CD2-O 3.38Å; I406-I418 PolarHBondContact N-O 2.9Å; I406-I418 PolarHBondContact O-N 3.46Å; F408-I418 HydrophobicContact CE2-CD1 4.2Å
419L92.3Very high90.3Very high72 Ų7275.2 Ų75.238%0.37736%0.362SS..EExtended strand (participates in β ladder)trans-118.6121.6179.9179.968000109.5Y405 N421Y405-L419 HydrophobicContact CD2-CB 4.36Å; Y405-L419 HydrophobicContact CD2-CD1 4.45Å; L419-N421 HydrophobicContact CD1-CB 4.15Å; L419-N421 HydrophobicContact CD2-CB 4.13Å; L419-N421 HydrophobicContact CG-CB 3.92Å
420N95.8Very high90.6Very high59 Ų5978.8 Ų78.832%0.31638%0.379SS..EExtended strand (participates in β ladder)trans-101.7113.7161.8176.515.6000108.1A403 S404A403-N420 CarbonylContact C-O 3.46Å; A403-N420 WeakPolarHBondContact CA-O 3.33Å; A403-N420 WeakPolarHBondContact CB-O 3.42Å; S404-N420 PolarHBondContact N-O 3.32Å; S404-N420 PolarHBondContact O-N 3.27Å
421N95.3Very high91Very high36 Ų3677.8 Ų77.819%0.19337%0.374CS..  trans-14124-17873.1-24.9000113.6A403 L419 V423 Y424A403-N421 HydrophobicContact CB-CB 4.15Å; L419-N421 HydrophobicContact CD1-CB 4.15Å; L419-N421 HydrophobicContact CD2-CB 4.13Å; L419-N421 HydrophobicContact CG-CB 3.92Å; N421-V423 PolarHBondContact O-N 3.09Å; N421-V423 VanDerWaalsContact O-N 3.12Å; N421-Y424 HydrophobicContact CB-CD2 3.6Å; N421-Y424 HydrophobicContact CB-CE2 3.7Å; N421-Y424 HydrophobicContact CB-CG 4.33Å; N421-Y424 WeakPolarHBondContact O-CB 3.48Å; N421-Y424 PolarHBondContact O-N 3.07Å
422D96.7Very high91.7Very high90 Ų9071.8 Ų71.848%0.48135%0.348SS..G310 helixtrans-57.5-31.5-177.4-72-25.8000112.2M400 Y424 N425M400-D422 HydrophobicContact CE-CB 3.43Å; M400-D422 VanDerWaalsContact CE-CB 3.43Å; M400-D422 WeakPolarHBondContact CE-O 3.44Å; D422-Y424 PolarHBondContact O-N 2.72Å; D422-Y424 VanDerWaalsContact O-N 3.12Å; D422-N425 VanDerWaalsContact O-CB 3.26Å; D422-N425 WeakPolarHBondContact O-CB 3.45Å; D422-N425 PolarHBondContact O-N 3.26Å; D422-N425 PolarHBondContact O-ND2 3.5Å
423V97.7Very high92.5Very high1 Ų163.5 Ų63.51%0.00633%0.325CS..G310 helixtrans-59-26178.972.40000112.5A372 N397 M400 A403 N421 N425 S426A372-V423 HydrophobicContact CB-CG2 4.11Å; A372-V423 VanDerWaalsContact CB-O 3.31Å; A372-V423 WeakPolarHBondContact CB-O 3.49Å; N397-V423 HydrophobicContact CB-CG2 4.4Å; M400-V423 HydrophobicContact CB-CB 4.29Å; M400-V423 HydrophobicContact CB-CG2 4.18Å; M400-V423 HydrophobicContact CE-CB 4.37Å; M400-V423 VanDerWaalsContact CE-N 3.35Å; M400-V423 HydrophobicContact SD-CB 4.43Å; M400-V423 HydrophobicContact SD-CG2 4.4Å; A403-V423 HydrophobicContact CB-CG1 4Å; N421-V423 PolarHBondContact O-N 3.09Å; N421-V423 VanDerWaalsContact O-N 3.12Å; V423-N425 PolarHBondContact O-N 2.85Å; V423-S426 WeakPolarHBondContact O-CB 3.43Å; V423-S426 PolarHBondContact O-N 3.29Å; V423-S426 PolarHBondContact O-OG 3.3Å
424Y97.3Very high93Very high5 Ų561 Ų612%0.0232%0.316CS..G310 helixtrans-66.3-18.4175.7-61-18.1000113.5G321 A322 S323 A403 N421 D422 S426 I427 N450 P452G321-Y424 WeakPolarHBondContact CA-OH 3.35Å; A322-Y424 PolarHBondContact N-OH 2.81Å; A322-Y424 WeakPolarHBondContact O-CE1 3.34Å; A322-Y424 PolarHBondContact O-OH 2.96Å; S323-Y424 PolarHBondContact N-OH 3.44Å; A403-Y424 HydrophobicContact CB-CD1 4.35Å; A403-Y424 HydrophobicContact CB-CE1 3.53Å; A403-Y424 HydrophobicContact CB-CE2 4.05Å; A403-Y424 VanDerWaalsContact CB-OH 3.26Å; A403-Y424 WeakPolarHBondContact CB-OH 3.47Å; N421-Y424 HydrophobicContact CB-CD2 3.6Å; N421-Y424 HydrophobicContact CB-CE2 3.7Å; N421-Y424 HydrophobicContact CB-CG 4.33Å; N421-Y424 WeakPolarHBondContact O-CB 3.48Å; N421-Y424 PolarHBondContact O-N 3.07Å; D422-Y424 PolarHBondContact O-N 2.72Å; D422-Y424 VanDerWaalsContact O-N 3.12Å; Y424-S426 PolarHBondContact O-N 3.18Å; Y424-I427 HydrophobicContact CD1-CD1 4.09Å; Y424-I427 HydrophobicContact CG-CD1 4.24Å; Y424-I427 WeakPolarHBondContact O-CB 3.39Å; Y424-I427 WeakPolarHBondContact O-CG1 3.38Å; Y424-I427 PolarHBondContact O-N 3.46Å; Y424-N450 HydrophobicContact CD2-CB 3.59Å; Y424-N450 HydrophobicContact CE2-CB 3.94Å; Y424-N450 HydrophobicContact CG-CB 4.39Å; Y424-P452 WeakPolarHBondContact O-CD 3.4Å; Y424-P452 WeakPolarHBondContact O-CG 3.16Å
425N96.2Very high93.4Very high106 Ų10658.3 Ų58.357%0.56730%0.3SS*.G310 helixtrans-63.4-19.8169.2-63.4-40.3000112.1D422 V423 I427D422-N425 VanDerWaalsContact O-CB 3.26Å; D422-N425 WeakPolarHBondContact O-CB 3.45Å; D422-N425 PolarHBondContact O-N 3.26Å; D422-N425 PolarHBondContact O-ND2 3.5Å; V423-N425 PolarHBondContact O-N 2.85Å; N425-I427 VanDerWaalsContact C-N 3.27Å; N425-I427 PolarHBondContact O-N 3.32Å
426S96.3Very high93.6Very high35 Ų3556 Ų5625%0.24529%0.291CS..G310 helixtrans-80.2-3.8173.5-53.20000113.2V423 Y424 S428V423-S426 WeakPolarHBondContact O-CB 3.43Å; V423-S426 PolarHBondContact O-N 3.29Å; V423-S426 PolarHBondContact O-OG 3.3Å; Y424-S426 PolarHBondContact O-N 3.18Å; S426-S428 PolarHBondContact O-N 2.84Å
427I97.8Very high93.6Very high0 Ų050.8 Ų50.80%028%0.281CS..  trans-76.675.1170.4-53.1171.7000108I319 G320 A372 Y424 N425 L431 V451 P452 T455I319-I427 HydrophobicContact CG2-CG2 4.12Å; G320-I427 WeakPolarHBondContact O-CD1 3.34Å; A372-I427 HydrophobicContact CB-CG1 3.75Å; Y424-I427 HydrophobicContact CD1-CD1 4.09Å; Y424-I427 HydrophobicContact CG-CD1 4.24Å; Y424-I427 WeakPolarHBondContact O-CB 3.39Å; Y424-I427 WeakPolarHBondContact O-CG1 3.38Å; Y424-I427 PolarHBondContact O-N 3.46Å; N425-I427 VanDerWaalsContact C-N 3.27Å; N425-I427 PolarHBondContact O-N 3.32Å; I427-L431 HydrophobicContact CG2-CD2 4.39Å; I427-V451 HydrophobicContact CG2-CG1 4.35Å; I427-P452 WeakPolarHBondContact O-CD 3.27Å; I427-T455 HydrophobicContact CG2-CG2 4.42Å; I427-T455 WeakPolarHBondContact O-CB 3.27Å; I427-T455 WeakPolarHBondContact O-CG2 3.44Å; I427-T455 PolarHBondContact O-OG1 3.39Å
428S96.5Very high93.7Very high31 Ų3149.2 Ų49.222%0.21726%0.264CS..  trans-91.1164.9-173.6840000112.8S426 E430 L431 V432 T455S426-S428 PolarHBondContact O-N 2.84Å; S428-E430 WeakPolarHBondContact CB-OE2 3.36Å; S428-E430 PolarHBondContact O-N 2.84Å; S428-E430 PolarHBondContact OG-N 3.29Å; S428-E430 PolarHBondContact OG-OE2 3.19Å; S428-L431 WeakPolarHBondContact O-CB 3.24Å; S428-L431 PolarHBondContact O-N 2.78Å; S428-L431 VanDerWaalsContact O-N 3.14Å; S428-L431 PolarHBondContact OG-N 3.09Å; S428-V432 PolarHBondContact O-N 3.37Å; S428-V432 VanDerWaalsContact O-N 3.12Å; S428-T455 WeakPolarHBondContact CA-OG1 3.31Å
429P96.1Very high93.7Very high31 Ų3144.3 Ų44.320%0.20124%0.239CC..Hα-helixtrans-54.5-36.8170.3-25.836.5000112.6V432 S433 T455 F458P429-V432 PolarHBondContact O-N 3.26Å; P429-S433 WeakPolarHBondContact O-CB 3.11Å; P429-S433 PolarHBondContact O-N 2.84Å; P429-T455 VanDerWaalsContact CD-OG1 3.31Å; P429-T455 WeakPolarHBondContact CD-OG1 3.23Å; P429-F458 HydrophobicContact CB-CB 4.01Å; P429-F458 HydrophobicContact CB-CD1 3.99Å; P429-F458 HydrophobicContact CB-CD2 4.09Å; P429-F458 HydrophobicContact CB-CG 3.76Å; P429-F458 HydrophobicContact CG-CB 4.21Å; P429-F458 HydrophobicContact CG-CG 4.49Å
430E93.7Very high93.5Very high123 Ų12346.7 Ų46.758%0.57524%0.243SC*.Hα-helixtrans-64.8-42.3177.8-59.370-15000111.2S428 S433 R434S428-E430 WeakPolarHBondContact CB-OE2 3.36Å; S428-E430 PolarHBondContact O-N 2.84Å; S428-E430 PolarHBondContact OG-N 3.29Å; S428-E430 PolarHBondContact OG-OE2 3.19Å; E430-S433 WeakPolarHBondContact CA-OG 3.49Å; E430-S433 PolarHBondContact O-N 2.59Å; E430-S433 PolarHBondContact O-OG 2.94Å; E430-R434 WeakPolarHBondContact O-CG 3.36Å; E430-R434 PolarHBondContact O-N 2.95Å
431L94.2Very high93.1Very high1 Ų147.8 Ų47.81%0.00525%0.249CC..Hα-helixtrans-58.1-50.1172.6171.860000110.9I370 S371 I427 S428 S433 R434 H435I370-L431 HydrophobicContact CG2-CD2 4.14Å; I370-L431 HydrophobicContact CG2-CG 4Å; S371-L431 WeakPolarHBondContact O-CD2 3.27Å; I427-L431 HydrophobicContact CG2-CD2 4.39Å; S428-L431 WeakPolarHBondContact O-CB 3.24Å; S428-L431 PolarHBondContact O-N 2.78Å; S428-L431 VanDerWaalsContact O-N 3.14Å; S428-L431 PolarHBondContact OG-N 3.09Å; L431-S433 VanDerWaalsContact C-N 3.31Å; L431-S433 PolarHBondContact O-N 2.69Å; L431-R434 VanDerWaalsContact CD1-NH2 3.26Å; L431-R434 WeakPolarHBondContact O-CB 3.26Å; L431-R434 PolarHBondContact O-N 3.22Å; L431-H435 PolarHBondContact O-CD2 3.33Å; L431-H435 VanDerWaalsContact O-CD2 3.3Å
432V93.5Very high93.1Very high0 Ų046.4 Ų46.40%024%0.241CC..Hα-helixtrans-61.2-40.9179.6178.50000111.2I319 S428 P429 R434 H435 E436 I439 T455 F458 I459I319-V432 HydrophobicContact CD1-CG1 4.3Å; I319-V432 HydrophobicContact CG2-CG2 4.32Å; S428-V432 PolarHBondContact O-N 3.37Å; S428-V432 VanDerWaalsContact O-N 3.12Å; P429-V432 PolarHBondContact O-N 3.26Å; V432-R434 VanDerWaalsContact C-N 3.27Å; V432-R434 PolarHBondContact O-N 2.88Å; V432-H435 CarbonylContact O-C 3.48Å; V432-H435 WeakPolarHBondContact O-CA 3.26Å; V432-H435 PolarHBondContact O-N 3.15Å; V432-E436 PolarHBondContact O-N 2.92Å; V432-I439 HydrophobicContact CG1-CD1 3.55Å; V432-T455 HydrophobicContact CG2-CG2 3.57Å; V432-F458 HydrophobicContact CB-CD1 4.09Å; V432-F458 HydrophobicContact CB-CE1 3.88Å; V432-F458 HydrophobicContact CG1-CD1 4.03Å; V432-F458 HydrophobicContact CG1-CE1 3.73Å; V432-I459 HydrophobicContact CG1-CG1 3.88Å; V432-I459 HydrophobicContact CG2-CD1 4.15Å; V432-I459 HydrophobicContact CG2-CG1 4.14Å
433S90.1Very high93Very high52 Ų5247.5 Ų47.536%0.36424%0.242SC..Hα-helixtrans-62.2-31.5-179.377.50000113.4P429 E430 L431 H435 E436P429-S433 WeakPolarHBondContact O-CB 3.11Å; P429-S433 PolarHBondContact O-N 2.84Å; E430-S433 WeakPolarHBondContact CA-OG 3.49Å; E430-S433 PolarHBondContact O-N 2.59Å; E430-S433 PolarHBondContact O-OG 2.94Å; L431-S433 VanDerWaalsContact C-N 3.31Å; L431-S433 PolarHBondContact O-N 2.69Å; S433-H435 PolarHBondContact O-N 2.87Å; S433-H435 VanDerWaalsContact O-N 3.1Å; S433-E436 WeakPolarHBondContact O-CB 3.34Å; S433-E436 PolarHBondContact O-N 2.78Å; S433-E436 VanDerWaalsContact O-N 3.14Å
434R90.1Very high93Very high142 Ų14247.8 Ų47.854%0.53624%0.244SC..THydrogen-bonded Turntrans-62.4-17.4174-71.9-175.6-78.3167.8-7.2112.6E430 L431 V432E430-R434 WeakPolarHBondContact O-CG 3.36Å; E430-R434 PolarHBondContact O-N 2.95Å; L431-R434 VanDerWaalsContact CD1-NH2 3.26Å; L431-R434 WeakPolarHBondContact O-CB 3.26Å; L431-R434 PolarHBondContact O-N 3.22Å; V432-R434 VanDerWaalsContact C-N 3.27Å; V432-R434 PolarHBondContact O-N 2.88Å
435H92.1Very high93.1Very high30 Ų3047.6 Ų47.614%0.13924%0.243CC..THydrogen-bonded Turntrans-116.218.8179.8-56.3-64.5000113I370 L431 V432 S433 A437 A438 I439I370-H435 HydrophobicContact CD1-CB 3.53Å; I370-H435 HydrophobicContact CG1-CB 4.28Å; L431-H435 PolarHBondContact O-CD2 3.33Å; L431-H435 VanDerWaalsContact O-CD2 3.3Å; V432-H435 CarbonylContact O-C 3.48Å; V432-H435 WeakPolarHBondContact O-CA 3.26Å; V432-H435 PolarHBondContact O-N 3.15Å; S433-H435 PolarHBondContact O-N 2.87Å; S433-H435 VanDerWaalsContact O-N 3.1Å; H435-A437 PolarHBondContact O-N 3.3Å; H435-A438 PolarHBondContact O-N 2.92Å; H435-I439 PolarHBondContact O-N 3.21Å; H435-I439 VanDerWaalsContact O-N 3.15Å
436E88.6Confident93.2Very high53 Ų5342.5 Ų42.525%0.24822%0.216CC..Hα-helixtrans-54.2-36.6178.4-170.5-170.1139.400112.2V432 S433 A438 I439 R440 L462V432-E436 PolarHBondContact O-N 2.92Å; S433-E436 WeakPolarHBondContact O-CB 3.34Å; S433-E436 PolarHBondContact O-N 2.78Å; S433-E436 VanDerWaalsContact O-N 3.14Å; E436-A438 PolarHBondContact O-N 3.32Å; E436-I439 PolarHBondContact O-N 3.27Å; E436-R440 VanDerWaalsContact O-CB 3.3Å; E436-R440 WeakPolarHBondContact O-CB 3.29Å; E436-R440 PolarHBondContact O-N 3.3Å; E436-R440 IonicContact OE1-CZ 2.75Å; E436-R440 IonicContact OE1-NH2 2.69Å; E436-R440 PolarHBondContact OE1-NH2 3.17Å; E436-L462 HydrophobicContact CG-CD1 4.06Å; E436-L462 HydrophobicContact CG-CD2 4.3Å
437A84.5Confident93.3Very high50 Ų5040.9 Ų40.941%0.41320%0.204SC..Hα-helixtrans-62.2-40.9177.400000112.7H435 N441H435-A437 PolarHBondContact O-N 3.3Å; A437-N441 WeakPolarHBondContact O-CB 3.49Å; A437-N441 PolarHBondContact O-N 3.22Å; A437-N441 PolarHBondContact O-ND2 3.07Å; A437-N441 VanDerWaalsContact O-ND2 3.17Å
438A90.2Very high93.2Very high14 Ų1440.9 Ų40.912%0.11620%0.204CC..Hα-helixtrans-67.2-40.2175.600000111.1Y314 V317 K368 H435 E436 N441 C442Y314-A438 HydrophobicContact CD2-CB 4.11Å; Y314-A438 HydrophobicContact CE2-CB 4.4Å; V317-A438 HydrophobicContact CG2-CB 4.25Å; K368-A438 HydrophobicContact CD-CB 3.76Å; H435-A438 PolarHBondContact O-N 2.92Å; E436-A438 PolarHBondContact O-N 3.32Å; A438-N441 PolarHBondContact O-N 3.15Å; A438-C442 WeakPolarHBondContact O-CB 2.82Å; A438-C442 PolarHBondContact O-N 3.48Å; A438-C442 VanDerWaalsContact O-N 3.11Å
439I91.9Very high93.2Very high0 Ų039.4 Ų39.40%019%0.194CC..Hα-helixtrans-65.9-44.1177.7-65.4168.9000111.1V317 I319 I370 V432 H435 E436 N441 C442 V445 L462 L466V317-I439 HydrophobicContact CG1-CG1 4.18Å; I319-I439 HydrophobicContact CD1-CD1 4.27Å; I370-I439 HydrophobicContact CD1-CD1 4.37Å; V432-I439 HydrophobicContact CG1-CD1 3.55Å; H435-I439 PolarHBondContact O-N 3.21Å; H435-I439 VanDerWaalsContact O-N 3.15Å; E436-I439 PolarHBondContact O-N 3.27Å; I439-N441 VanDerWaalsContact C-N 3.26Å; I439-N441 PolarHBondContact O-N 3.15Å; I439-C442 PolarHBondContact O-N 3.17Å; I439-C442 PolarHBondContact O-SG 3.2Å; I439-V445 HydrophobicContact CG2-CG2 4.03Å; I439-L462 HydrophobicContact CD1-CD2 3.99Å; I439-L462 HydrophobicContact CG2-CD2 4.19Å; I439-L462 HydrophobicContact CG2-CG 4.5Å; I439-L466 HydrophobicContact CG2-CD1 4.16Å
440R88.8Confident93.1Very high122 Ų12238.4 Ų38.446%0.4619%0.187SC..Hα-helixtrans-60.2-35.3178.7178.2-177.9-63.1-81.9-3.9113.1E436 L466E436-R440 VanDerWaalsContact O-CB 3.3Å; E436-R440 WeakPolarHBondContact O-CB 3.29Å; E436-R440 PolarHBondContact O-N 3.3Å; E436-R440 IonicContact OE1-CZ 2.75Å; E436-R440 IonicContact OE1-NH2 2.69Å; E436-R440 PolarHBondContact OE1-NH2 3.17Å; R440-L466 HydrophobicContact CB-CD1 4.2Å; R440-L466 HydrophobicContact CG-CD2 4.29Å; R440-L466 VanDerWaalsContact NH1-CD2 3.31Å
441N88.5Confident93.3Very high82 Ų8232.5 Ų32.544%0.43916%0.159SC..Hα-helixtrans-98.6-2.4-174.6-64.1-28.6000113.3S313 A437 A438 I439S313-N441 PolarHBondContact OG-O 3.02Å; A437-N441 WeakPolarHBondContact O-CB 3.49Å; A437-N441 PolarHBondContact O-N 3.22Å; A437-N441 PolarHBondContact O-ND2 3.07Å; A437-N441 VanDerWaalsContact O-ND2 3.17Å; A438-N441 PolarHBondContact O-N 3.15Å; I439-N441 VanDerWaalsContact C-N 3.26Å; I439-N441 PolarHBondContact O-N 3.15Å
442C95Very high93.3Very high6 Ų633.2 Ų33.24%0.04116%0.164CC..  trans-83.4166.1177.479.30000113Y314 V317 A438 I439 I468Y314-C442 WeakPolarHBondContact O-CA 3.41Å; Y314-C442 VanDerWaalsContact O-CB 3.22Å; Y314-C442 WeakPolarHBondContact O-CB 3.47Å; V317-C442 HydrophobicContact CG2-CB 3.85Å; A438-C442 WeakPolarHBondContact O-CB 2.82Å; A438-C442 PolarHBondContact O-N 3.48Å; A438-C442 VanDerWaalsContact O-N 3.11Å; I439-C442 PolarHBondContact O-N 3.17Å; I439-C442 PolarHBondContact O-SG 3.2Å; C442-I468 WeakPolarHBondContact O-CD1 3.44Å
443K94.8Very high93.4Very high114 Ų11435.8 Ų35.850%0.49618%0.175SC..SBendtrans-94.8-22.7178.1-62.8170.7178.7162.20112.3D315 P469 L594D315-K443 HydrophobicContact CB-CD 4.48Å; D315-K443 WeakPolarHBondContact O-CA 3.45Å; D315-K443 WeakPolarHBondContact O-CB 3.22Å; D315-K443 PolarHBondContact O-N 3.26Å; D315-K443 WeakPolarHBondContact OD1-CD 3.44Å; D315-K443 VanDerWaalsContact OD1-CE 3.25Å; D315-K443 WeakPolarHBondContact OD1-CE 3.22Å; D315-K443 IonicContact OD1-NZ 3.14Å; D315-K443 PolarHBondContact OD1-NZ 3.39Å; K443-P469 VanDerWaalsContact O-CD 3.27Å; K443-P469 WeakPolarHBondContact O-CD 3.33Å; K443-P469 WeakPolarHBondContact O-CG 3.49Å; K443-L594 HydrophobicContact CB-CD2 3.67Å; K443-L594 HydrophobicContact CD-CD2 3.66Å; K443-L594 HydrophobicContact CG-CD2 4.33Å
444L97.9Very high93.6Very high7 Ų739.1 Ų39.14%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-156.7140.8-177.7-176.9143.7000110.8D315 V316 V317 L446 P469 W471 Y494 I590D315-L444 PolarHBondContact O-N 3.31Å; V316-L444 WeakPolarHBondContact CA-O 2.92Å; V316-L444 HydrophobicContact CG1-CD2 3.96Å; V317-L444 PolarHBondContact N-O 2.94Å; L444-L446 HydrophobicContact CD2-CB 4.3Å; L444-P469 HydrophobicContact CB-CG 4.41Å; L444-W471 HydrophobicContact CD1-CE3 4.47Å; L444-W471 HydrophobicContact CD2-CB 4.04Å; L444-Y494 HydrophobicContact CD1-CD2 4.04Å; L444-Y494 HydrophobicContact CD1-CE2 3.74Å; L444-I590 HydrophobicContact CD2-CD1 4.24Å; L444-I590 HydrophobicContact CD2-CG1 4.49Å; L444-I590 HydrophobicContact CD2-CG2 4.43Å
445V98.4Very high93.9Very high0 Ų032.5 Ų32.50%016%0.16CC..EExtended strand (participates in β ladder)trans-106.8126.9168.7172.70000109.2V317 I319 I439 I447 I459 I468 P469 I470 W471V317-V445 HydrophobicContact CB-CG2 4.36Å; V317-V445 CarbonylContact O-C 3.54Å; V317-V445 VanDerWaalsContact O-CA 3.31Å; V317-V445 WeakPolarHBondContact O-CA 3.29Å; I319-V445 HydrophobicContact CD1-CG1 3.96Å; I319-V445 HydrophobicContact CG1-CG1 4.3Å; I439-V445 HydrophobicContact CG2-CG2 4.03Å; V445-I447 HydrophobicContact CG1-CG2 4.05Å; V445-I459 HydrophobicContact CG1-CG2 4.17Å; V445-I468 HydrophobicContact CG2-CG2 3.86Å; V445-P469 PolarHBondContact N-O 3.24Å; V445-I470 CarbonylContact O-C 3.55Å; V445-I470 WeakPolarHBondContact O-CA 3.41Å; V445-W471 PolarHBondContact O-N 3.01Å
446L98.6Very high94Very high0 Ų031.1 Ų31.10%015%0.154CC..EExtended strand (participates in β ladder)trans-101.6126.3167.5-179143.3000109.5V317 T318 I319 V356 L444 W471 I590V317-L446 PolarHBondContact O-N 3.45Å; T318-L446 CarbonylContact C-O 3.59Å; T318-L446 VanDerWaalsContact CA-O 3.31Å; T318-L446 WeakPolarHBondContact CA-O 3.38Å; T318-L446 HydrophobicContact CG2-CB 4.2Å; T318-L446 HydrophobicContact CG2-CD2 4.37Å; I319-L446 PolarHBondContact N-O 3.2Å; V356-L446 HydrophobicContact CB-CD1 4.2Å; V356-L446 HydrophobicContact CB-CD2 4.43Å; V356-L446 HydrophobicContact CG1-CD1 3.71Å; V356-L446 HydrophobicContact CG2-CD1 4.09Å; V356-L446 HydrophobicContact CG2-CD2 4.5Å; L444-L446 HydrophobicContact CD2-CB 4.3Å; L446-W471 CarbonylContact C-O 3.58Å; L446-W471 WeakPolarHBondContact CA-O 3.33Å; L446-W471 HydrophobicContact CB-CB 4.36Å; L446-W471 HydrophobicContact CD1-CB 4.37Å; L446-W471 HydrophobicContact CD1-CG 4.09Å; L446-W471 HydrophobicContact CG-CB 4.42Å; L446-I590 HydrophobicContact CD1-CD1 3.74Å
447I97.8Very high94.3Very high0 Ų030.3 Ų30.30%015%0.154CC..EExtended strand (participates in β ladder)trans-119.4138174.442162000109.6I319 V445 L456 I459 I470 W471 F472 D473 L492I319-I447 HydrophobicContact CB-CG2 3.95Å; I319-I447 HydrophobicContact CD1-CG2 4.38Å; I319-I447 HydrophobicContact CG1-CG2 4.42Å; I319-I447 WeakPolarHBondContact O-CA 3.49Å; V445-I447 HydrophobicContact CG1-CG2 4.05Å; I447-L456 HydrophobicContact CB-CD2 4.31Å; I447-L456 HydrophobicContact CD1-CD2 3.75Å; I447-I459 HydrophobicContact CG2-CD1 3.81Å; I447-I459 HydrophobicContact CG2-CG2 3.92Å; I447-I470 HydrophobicContact CD1-CG2 3.55Å; I447-I470 HydrophobicContact CG1-CG2 3.5Å; I447-I470 VanDerWaalsContact CG1-CG2 3.5Å; I447-W471 PolarHBondContact N-O 2.95Å; I447-F472 HydrophobicContact CD1-CB 4.42Å; I447-F472 HydrophobicContact CD1-CD2 3.81Å; I447-F472 HydrophobicContact CG1-CB 4.32Å; I447-F472 HydrophobicContact CG1-CD2 3.9Å; I447-F472 WeakPolarHBondContact O-CA 3.39Å; I447-F472 WeakPolarHBondContact O-CD2 3.46Å; I447-D473 PolarHBondContact O-N 3.03Å; I447-L492 HydrophobicContact CD1-CD2 4.28Å
448D96.7Very high94.8Very high0 Ų031 Ų310%015%0.148CC..EExtended strand (participates in β ladder)trans-106.3162.7171.777.537.4000112.7I319 G320 G321 V352 A353 N450 V451 D473 A475I319-D448 PolarHBondContact O-N 3Å; I319-D448 VanDerWaalsContact O-N 3.16Å; G320-D448 WeakPolarHBondContact CA-OD1 3.39Å; G320-D448 WeakPolarHBondContact CA-OD2 3.46Å; G321-D448 PolarHBondContact N-OD1 2.91Å; G321-D448 PolarHBondContact N-OD2 3.27Å; V352-D448 HydrophobicContact CB-CB 3.84Å; V352-D448 WeakPolarHBondContact CB-OD2 3.42Å; V352-D448 HydrophobicContact CG1-CB 3.74Å; A353-D448 WeakPolarHBondContact CB-OD2 3.08Å; A353-D448 PolarHBondContact N-OD2 2.87Å; D448-N450 VanDerWaalsContact CG-ND2 3.32Å; D448-N450 PolarHBondContact O-N 3.38Å; D448-N450 VanDerWaalsContact O-N 3.09Å; D448-N450 WeakPolarHBondContact OD1-CA 3.34Å; D448-N450 WeakPolarHBondContact OD1-CB 3.19Å; D448-N450 PolarHBondContact OD1-N 2.76Å; D448-N450 PolarHBondContact OD1-ND2 3.1Å; D448-N450 PolarHBondContact OD2-ND2 3.48Å; D448-V451 WeakPolarHBondContact O-CG2 3Å; D448-V451 PolarHBondContact O-N 2.89Å; D448-D473 CarbonylContact C-O 3.53Å; D448-D473 WeakPolarHBondContact CA-O 3.22Å; D448-A475 HydrophobicContact CB-CB 4.49Å
449G95.1Very high95.1Very high0 Ų030.4 Ų30.40%014%0.143CC..THydrogen-bonded Turntrans-66.9-4.6-179.100000115.2V451 D473 P474 K479 R482G449-V451 VanDerWaalsContact C-N 3.25Å; G449-V451 PolarHBondContact O-N 2.87Å; G449-D473 PolarHBondContact N-O 2.81Å; G449-P474 WeakPolarHBondContact CA-O 3.32Å; G449-K479 WeakPolarHBondContact O-CB 3.39Å; G449-R482 WeakPolarHBondContact O-CD 3.48Å; G449-R482 PolarHBondContact O-NH1 3.17Å
450N95.3Very high95.3Very high10 Ų1030.4 Ų30.45%0.05314%0.143CC..THydrogen-bonded Turntrans-71.3-23.6174.4-62-68.2000112.5Y424 D448 K479 R482Y424-N450 HydrophobicContact CD2-CB 3.59Å; Y424-N450 HydrophobicContact CE2-CB 3.94Å; Y424-N450 HydrophobicContact CG-CB 4.39Å; D448-N450 VanDerWaalsContact CG-ND2 3.32Å; D448-N450 PolarHBondContact O-N 3.38Å; D448-N450 VanDerWaalsContact O-N 3.09Å; D448-N450 WeakPolarHBondContact OD1-CA 3.34Å; D448-N450 WeakPolarHBondContact OD1-CB 3.19Å; D448-N450 PolarHBondContact OD1-N 2.76Å; D448-N450 PolarHBondContact OD1-ND2 3.1Å; D448-N450 PolarHBondContact OD2-ND2 3.48Å; N450-K479 WeakPolarHBondContact OD1-CE 3.22Å; N450-K479 PolarHBondContact OD1-NZ 2.81Å; N450-R482 PolarHBondContact O-NH1 3.32Å
451V96.3Very high95.5Very high0 Ų028.4 Ų28.40%014%0.144CC..SBendtrans-63.1136.4179.5-177.20000110.6I319 I427 D448 G449 T455 L456 I459 R482I319-V451 HydrophobicContact CG2-CG2 4.2Å; I319-V451 WeakPolarHBondContact O-CG2 3.42Å; I427-V451 HydrophobicContact CG2-CG1 4.35Å; D448-V451 WeakPolarHBondContact O-CG2 3Å; D448-V451 PolarHBondContact O-N 2.89Å; G449-V451 VanDerWaalsContact C-N 3.25Å; G449-V451 PolarHBondContact O-N 2.87Å; V451-T455 HydrophobicContact CG1-CG2 3.73Å; V451-L456 HydrophobicContact CB-CD2 3.9Å; V451-L456 HydrophobicContact CB-CG 3.91Å; V451-L456 HydrophobicContact CG1-CD2 4.14Å; V451-L456 HydrophobicContact CG1-CG 3.91Å; V451-L456 WeakPolarHBondContact O-CD1 3.4Å; V451-I459 HydrophobicContact CG1-CD1 4.16Å; V451-R482 PolarHBondContact O-NH1 2.99Å
452P95.6Very high95.7Very high16 Ų1625.3 Ų25.310%0.10413%0.128CC..  trans-56.5152.6172.8-27.136.3000112.9Y424 I427 E454 T455 L456Y424-P452 WeakPolarHBondContact O-CD 3.4Å; Y424-P452 WeakPolarHBondContact O-CG 3.16Å; I427-P452 WeakPolarHBondContact O-CD 3.27Å; P452-E454 VanDerWaalsContact C-N 3.35Å; P452-E454 PolarHBondContact O-N 3.46Å; P452-T455 PolarHBondContact O-N 3.12Å; P452-L456 WeakPolarHBondContact O-CG 3.47Å; P452-L456 PolarHBondContact O-N 3.08Å
453F94.4Very high95.6Very high54 Ų5425 Ų2524%0.23713%0.126CC..Hα-helixtrans-62.2-42.1-174.8166.3-109.4000112.5T455 L456 S457 R482 K485F453-T455 VanDerWaalsContact C-N 3.28Å; F453-T455 PolarHBondContact O-N 2.89Å; F453-L456 WeakPolarHBondContact O-CB 3.36Å; F453-L456 PolarHBondContact O-N 3.32Å; F453-S457 PolarHBondContact O-N 2.99Å; F453-R482 WeakPolarHBondContact CD2-O 3.46Å; F453-K485 HydrophobicContact CD2-CB 3.79Å; F453-K485 HydrophobicContact CD2-CD 4.15Å; F453-K485 HydrophobicContact CE2-CB 3.43Å; F453-K485 VanDerWaalsContact CE2-CB 3.43Å; F453-K485 HydrophobicContact CG-CD 4.27Å; F453-K485 HydrophobicContact CZ-CB 3.92Å
454E95Very high95.4Very high122 Ų12225.2 Ų25.257%0.5713%0.128SC*.Hα-helixtrans-60.3-43179.5-61.770.8-155.500110.2P452 S457 F458P452-E454 VanDerWaalsContact C-N 3.35Å; P452-E454 PolarHBondContact O-N 3.46Å; E454-S457 PolarHBondContact O-N 3.49Å; E454-F458 PolarHBondContact O-N 3.49Å
455T96.3Very high95.1Very high2 Ų229.2 Ų29.21%0.01216%0.157CC..Hα-helixtrans-71-40177.2-48.20000112.2I427 S428 P429 V432 V451 P452 F453 S457 F458 I459I427-T455 HydrophobicContact CG2-CG2 4.42Å; I427-T455 WeakPolarHBondContact O-CB 3.27Å; I427-T455 WeakPolarHBondContact O-CG2 3.44Å; I427-T455 PolarHBondContact O-OG1 3.39Å; S428-T455 WeakPolarHBondContact CA-OG1 3.31Å; P429-T455 VanDerWaalsContact CD-OG1 3.31Å; P429-T455 WeakPolarHBondContact CD-OG1 3.23Å; V432-T455 HydrophobicContact CG2-CG2 3.57Å; V451-T455 HydrophobicContact CG1-CG2 3.73Å; P452-T455 PolarHBondContact O-N 3.12Å; F453-T455 VanDerWaalsContact C-N 3.28Å; F453-T455 PolarHBondContact O-N 2.89Å; T455-S457 VanDerWaalsContact C-N 3.27Å; T455-S457 PolarHBondContact O-N 3.26Å; T455-F458 WeakPolarHBondContact O-CB 3.41Å; T455-F458 PolarHBondContact O-N 2.78Å; T455-I459 HydrophobicContact CG2-CD1 3.9Å; T455-I459 HydrophobicContact CG2-CG1 4.36Å; T455-I459 WeakPolarHBondContact O-CD1 3.35Å; T455-I459 VanDerWaalsContact O-CG1 3.24Å; T455-I459 WeakPolarHBondContact O-CG1 3.45Å; T455-I459 PolarHBondContact O-N 2.86Å
456L95.4Very high94.6Very high1 Ų131 Ų311%0.00517%0.167CC..Hα-helixtrans-56.3-44.9172.1-76.6169.8000110.8I447 V451 P452 F453 I459 C460 F472 R482I447-L456 HydrophobicContact CB-CD2 4.31Å; I447-L456 HydrophobicContact CD1-CD2 3.75Å; V451-L456 HydrophobicContact CB-CD2 3.9Å; V451-L456 HydrophobicContact CB-CG 3.91Å; V451-L456 HydrophobicContact CG1-CD2 4.14Å; V451-L456 HydrophobicContact CG1-CG 3.91Å; V451-L456 WeakPolarHBondContact O-CD1 3.4Å; P452-L456 WeakPolarHBondContact O-CG 3.47Å; P452-L456 PolarHBondContact O-N 3.08Å; F453-L456 WeakPolarHBondContact O-CB 3.36Å; F453-L456 PolarHBondContact O-N 3.32Å; L456-I459 PolarHBondContact O-N 3.17Å; L456-C460 PolarHBondContact O-N 3.5Å; L456-C460 PolarHBondContact O-SG 3.34Å; L456-F472 HydrophobicContact CD2-CE2 4.3Å; L456-R482 HydrophobicContact CD1-CB 3.84Å
457S94.4Very high94.2Very high37 Ų3734.1 Ų34.126%0.25920%0.198SC..Hα-helixtrans-64.4-41.3178.3-167.20000112.5F453 E454 T455 T461 C488F453-S457 PolarHBondContact O-N 2.99Å; E454-S457 PolarHBondContact O-N 3.49Å; T455-S457 VanDerWaalsContact C-N 3.27Å; T455-S457 PolarHBondContact O-N 3.26Å; S457-T461 PolarHBondContact O-N 3.06Å; S457-T461 VanDerWaalsContact O-N 3.1Å; S457-T461 PolarHBondContact O-OG1 2.94Å; S457-C488 VanDerWaalsContact CA-SG 3.54Å; S457-C488 PolarHBondContact OG-SG 2.7Å
458F95.4Very high94.1Very high65 Ų6535.3 Ų35.329%0.28521%0.205SC..Hα-helixtrans-61-48.8174.3174.7-100.8000111.8P429 V432 E454 T455 C460 T461 L462P429-F458 HydrophobicContact CB-CB 4.01Å; P429-F458 HydrophobicContact CB-CD1 3.99Å; P429-F458 HydrophobicContact CB-CD2 4.09Å; P429-F458 HydrophobicContact CB-CG 3.76Å; P429-F458 HydrophobicContact CG-CB 4.21Å; P429-F458 HydrophobicContact CG-CG 4.49Å; V432-F458 HydrophobicContact CB-CD1 4.09Å; V432-F458 HydrophobicContact CB-CE1 3.88Å; V432-F458 HydrophobicContact CG1-CD1 4.03Å; V432-F458 HydrophobicContact CG1-CE1 3.73Å; E454-F458 PolarHBondContact O-N 3.49Å; T455-F458 WeakPolarHBondContact O-CB 3.41Å; T455-F458 PolarHBondContact O-N 2.78Å; F458-C460 PolarHBondContact O-N 3.12Å; F458-T461 PolarHBondContact O-N 3.49Å; F458-L462 HydrophobicContact CE1-CD2 4.15Å; F458-L462 HydrophobicContact CZ-CD2 4.38Å; F458-L462 WeakPolarHBondContact O-CB 3.3Å; F458-L462 PolarHBondContact O-N 3.26Å
459I96.2Very high94.1Very high0 Ų037 Ų370%022%0.216CC..Hα-helixtrans-61.1-44.3179.7-65.2158.4000110.8I319 V432 V445 I447 V451 T455 L456 T461 L462 C463I319-I459 HydrophobicContact CB-CD1 4.41Å; I319-I459 HydrophobicContact CD1-CD1 3.87Å; I319-I459 HydrophobicContact CD1-CG1 4.12Å; I319-I459 HydrophobicContact CD1-CG2 4.33Å; I319-I459 HydrophobicContact CG2-CD1 3.95Å; V432-I459 HydrophobicContact CG1-CG1 3.88Å; V432-I459 HydrophobicContact CG2-CD1 4.15Å; V432-I459 HydrophobicContact CG2-CG1 4.14Å; V445-I459 HydrophobicContact CG1-CG2 4.17Å; I447-I459 HydrophobicContact CG2-CD1 3.81Å; I447-I459 HydrophobicContact CG2-CG2 3.92Å; V451-I459 HydrophobicContact CG1-CD1 4.16Å; T455-I459 HydrophobicContact CG2-CD1 3.9Å; T455-I459 HydrophobicContact CG2-CG1 4.36Å; T455-I459 WeakPolarHBondContact O-CD1 3.35Å; T455-I459 VanDerWaalsContact O-CG1 3.24Å; T455-I459 WeakPolarHBondContact O-CG1 3.45Å; T455-I459 PolarHBondContact O-N 2.86Å; L456-I459 PolarHBondContact O-N 3.17Å; I459-T461 PolarHBondContact O-N 2.8Å; I459-L462 PolarHBondContact O-N 3.27Å; I459-C463 WeakPolarHBondContact O-CB 3.48Å; I459-C463 PolarHBondContact O-N 2.98Å; I459-C463 PolarHBondContact O-SG 2.84Å
460C95Very high94.2Very high0 Ų037.1 Ų37.10%022%0.216CC..Hα-helixtrans-61.9-43.6179.5-67.90000111.8L456 F458 Q464 I470 C488L456-C460 PolarHBondContact O-N 3.5Å; L456-C460 PolarHBondContact O-SG 3.34Å; F458-C460 PolarHBondContact O-N 3.12Å; C460-Q464 VanDerWaalsContact O-CB 3.22Å; C460-Q464 WeakPolarHBondContact O-CB 3.3Å; C460-Q464 PolarHBondContact O-N 2.92Å; C460-I470 HydrophobicContact CB-CD1 4.33Å; C460-C488 HydrophobicContact CB-CB 3.93Å
461T93.8Very high94.3Very high80 Ų8036.6 Ų36.649%0.49121%0.213SC..Hα-helixtrans-64.8-44.8177.1-52.20000110.9S457 F458 I459 Q464 S465S457-T461 PolarHBondContact O-N 3.06Å; S457-T461 VanDerWaalsContact O-N 3.1Å; S457-T461 PolarHBondContact O-OG1 2.94Å; F458-T461 PolarHBondContact O-N 3.49Å; I459-T461 PolarHBondContact O-N 2.8Å; T461-Q464 PolarHBondContact O-N 3.49Å; T461-S465 PolarHBondContact O-N 2.92Å
462L91.9Very high94.4Very high17 Ų1736.6 Ų36.69%0.08921%0.213CC..Hα-helixtrans-61.3-53.2179.1178.460.7000111.2E436 I439 F458 I459 Q464 S465 L466E436-L462 HydrophobicContact CG-CD1 4.06Å; E436-L462 HydrophobicContact CG-CD2 4.3Å; I439-L462 HydrophobicContact CD1-CD2 3.99Å; I439-L462 HydrophobicContact CG2-CD2 4.19Å; I439-L462 HydrophobicContact CG2-CG 4.5Å; F458-L462 HydrophobicContact CE1-CD2 4.15Å; F458-L462 HydrophobicContact CZ-CD2 4.38Å; F458-L462 WeakPolarHBondContact O-CB 3.3Å; F458-L462 PolarHBondContact O-N 3.26Å; I459-L462 PolarHBondContact O-N 3.27Å; L462-Q464 VanDerWaalsContact C-N 3.32Å; L462-Q464 PolarHBondContact O-N 3.04Å; L462-S465 PolarHBondContact O-N 3.34Å; L462-S465 VanDerWaalsContact O-N 3.13Å; L462-S465 PolarHBondContact O-OG 3.38Å; L462-L466 HydrophobicContact CD1-CD1 3.71Å; L462-L466 HydrophobicContact CD1-CG 4.26Å; L462-L466 HydrophobicContact CG-CD1 3.9Å; L462-L466 VanDerWaalsContact O-CG 3.31Å; L462-L466 WeakPolarHBondContact O-CG 3.47Å; L462-L466 PolarHBondContact O-N 3.33Å; L462-L466 VanDerWaalsContact O-N 3.1Å
463C93.6Very high94.5Very high0 Ų036.5 Ų36.50%021%0.212CC..Hα-helixtrans-63.3-38.2-179.1-65.10000111.7I459 S465 L466 G467 I468 I470I459-C463 WeakPolarHBondContact O-CB 3.48Å; I459-C463 PolarHBondContact O-N 2.98Å; I459-C463 PolarHBondContact O-SG 2.84Å; C463-S465 PolarHBondContact O-N 3.43Å; C463-L466 CarbonylContact O-C 3.54Å; C463-L466 PolarHBondContact O-N 3.25Å; C463-G467 PolarHBondContact O-N 3.18Å; C463-I468 HydrophobicContact CB-CB 4.25Å; C463-I468 PolarHBondContact O-N 3.05Å; C463-I470 HydrophobicContact CB-CD1 3.66Å; C463-I470 HydrophobicContact CB-CG1 3.69Å
464Q90.4Very high94.5Very high119 Ų11934 Ų3456%0.55620%0.201SC*.Hα-helixtrans-59.6-45.4173-175.817917.700111.6C460 T461 L462 L466 G467 N491C460-Q464 VanDerWaalsContact O-CB 3.22Å; C460-Q464 WeakPolarHBondContact O-CB 3.3Å; C460-Q464 PolarHBondContact O-N 2.92Å; T461-Q464 PolarHBondContact O-N 3.49Å; L462-Q464 VanDerWaalsContact C-N 3.32Å; L462-Q464 PolarHBondContact O-N 3.04Å; Q464-L466 PolarHBondContact O-N 3.45Å; Q464-G467 PolarHBondContact O-N 3.34Å; Q464-N491 PolarHBondContact NE2-OD1 3.07Å; Q464-N491 PolarHBondContact OE1-ND2 2.89Å
465S90.6Very high94.4Very high91 Ų9129.7 Ų29.764%0.63619%0.186SC*.Hα-helixtrans-65.6-23.9178.477.50000113.8T461 L462 C463T461-S465 PolarHBondContact O-N 2.92Å; L462-S465 PolarHBondContact O-N 3.34Å; L462-S465 VanDerWaalsContact O-N 3.13Å; L462-S465 PolarHBondContact O-OG 3.38Å; C463-S465 PolarHBondContact O-N 3.43Å
466L88.8Confident94.1Very high38 Ų3832.6 Ų32.620%0.19920%0.202CC..Hα-helixtrans-99-8.3-179.1-62.7174.2000113.2I439 R440 L462 C463 Q464 I468I439-L466 HydrophobicContact CG2-CD1 4.16Å; R440-L466 HydrophobicContact CB-CD1 4.2Å; R440-L466 HydrophobicContact CG-CD2 4.29Å; R440-L466 VanDerWaalsContact NH1-CD2 3.31Å; L462-L466 HydrophobicContact CD1-CD1 3.71Å; L462-L466 HydrophobicContact CD1-CG 4.26Å; L462-L466 HydrophobicContact CG-CD1 3.9Å; L462-L466 VanDerWaalsContact O-CG 3.31Å; L462-L466 WeakPolarHBondContact O-CG 3.47Å; L462-L466 PolarHBondContact O-N 3.33Å; L462-L466 VanDerWaalsContact O-N 3.1Å; C463-L466 CarbonylContact O-C 3.54Å; C463-L466 PolarHBondContact O-N 3.25Å; Q464-L466 PolarHBondContact O-N 3.45Å; L466-I468 VanDerWaalsContact C-N 3.3Å; L466-I468 HydrophobicContact CB-CG1 3.79Å
467G91.1Very high93.8Very high65 Ų6537.9 Ų37.967%0.6722%0.222SC*.THydrogen-bonded Turntrans68.724.6-174.400000114.2C463 Q464C463-G467 PolarHBondContact O-N 3.18Å; Q464-G467 PolarHBondContact O-N 3.34Å
468I94.2Very high93.5Very high25 Ų2544.8 Ų44.813%0.12825%0.247CC..  trans-90.4127-178.4-57.9-56.4000110.2C442 V445 C463 L466C442-I468 WeakPolarHBondContact O-CD1 3.44Å; V445-I468 HydrophobicContact CG2-CG2 3.86Å; C463-I468 HydrophobicContact CB-CB 4.25Å; C463-I468 PolarHBondContact O-N 3.05Å; L466-I468 VanDerWaalsContact C-N 3.3Å; L466-I468 HydrophobicContact CB-CG1 3.79Å
469P96.5Very high93.2Very high36 Ų3642.8 Ų42.823%0.23424%0.238CC..  trans-71.2143.1179.429.7-35000111.8K443 L444 V445 T493 Y494K443-P469 VanDerWaalsContact O-CD 3.27Å; K443-P469 WeakPolarHBondContact O-CD 3.33Å; K443-P469 WeakPolarHBondContact O-CG 3.49Å; L444-P469 HydrophobicContact CB-CG 4.41Å; V445-P469 PolarHBondContact N-O 3.24Å; P469-T493 VanDerWaalsContact CA-OG1 3.32Å; P469-T493 WeakPolarHBondContact CA-OG1 3.22Å; P469-T493 HydrophobicContact CB-CG2 3.84Å; P469-T493 WeakPolarHBondContact CB-OG1 3.43Å; P469-Y494 HydrophobicContact CB-CE2 4.12Å
470I98.1Very high92.6Very high1 Ų142.9 Ų42.91%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-111.7127.3-177.2-52177.4000110.1V445 I447 C460 C463 L492 T493 Y494V445-I470 CarbonylContact O-C 3.55Å; V445-I470 WeakPolarHBondContact O-CA 3.41Å; I447-I470 HydrophobicContact CD1-CG2 3.55Å; I447-I470 HydrophobicContact CG1-CG2 3.5Å; I447-I470 VanDerWaalsContact CG1-CG2 3.5Å; C460-I470 HydrophobicContact CB-CD1 4.33Å; C463-I470 HydrophobicContact CB-CD1 3.66Å; C463-I470 HydrophobicContact CB-CG1 3.69Å; I470-L492 HydrophobicContact CB-CD2 4.21Å; I470-L492 HydrophobicContact CG2-CD2 3.74Å; I470-T493 PolarHBondContact N-OG1 3.11Å; I470-T493 WeakPolarHBondContact O-CA 3.29Å; I470-T493 WeakPolarHBondContact O-CB 3.32Å; I470-T493 PolarHBondContact O-N 3.49Å; I470-Y494 PolarHBondContact O-N 3.38Å
471W98.4Very high92.2Very high0 Ų047.3 Ų47.30%026%0.258CS..EExtended strand (participates in β ladder)trans-100.8121.6166.3-169-61.6000109.7L444 V445 L446 I447 Y494 S496 L541 L543 N586 I589 I590 L593L444-W471 HydrophobicContact CD1-CE3 4.47Å; L444-W471 HydrophobicContact CD2-CB 4.04Å; V445-W471 PolarHBondContact O-N 3.01Å; L446-W471 CarbonylContact C-O 3.58Å; L446-W471 WeakPolarHBondContact CA-O 3.33Å; L446-W471 HydrophobicContact CB-CB 4.36Å; L446-W471 HydrophobicContact CD1-CB 4.37Å; L446-W471 HydrophobicContact CD1-CG 4.09Å; L446-W471 HydrophobicContact CG-CB 4.42Å; I447-W471 PolarHBondContact N-O 2.95Å; W471-Y494 HydrophobicContact CB-CD2 4.29Å; W471-Y494 VanDerWaalsContact CD2-CB 3.44Å; W471-Y494 HydrophobicContact CD2-CD2 4.43Å; W471-Y494 HydrophobicContact CD2-CG 4Å; W471-Y494 AromaticContact CE3-CD1 3.77Å; W471-Y494 HydrophobicContact CE3-CD1 3.77Å; W471-Y494 AromaticContact CE3-CD2 3.72Å; W471-Y494 HydrophobicContact CE3-CD2 3.72Å; W471-Y494 HydrophobicContact CE3-CE2 4.5Å; W471-Y494 AromaticContact CE3-CG 3.33Å; W471-Y494 HydrophobicContact CE3-CG 3.33Å; W471-Y494 AromaticContact CZ3-CD1 3.68Å; W471-Y494 HydrophobicContact CZ3-CD1 3.68Å; W471-Y494 HydrophobicContact CZ3-CD2 4.43Å; W471-Y494 HydrophobicContact CZ3-CE1 4.4Å; W471-Y494 AromaticContact CZ3-CG 3.75Å; W471-Y494 HydrophobicContact CZ3-CG 3.75Å; W471-S496 PolarHBondContact NE1-OG 2.91Å; W471-L541 HydrophobicContact CH2-CD2 4.29Å; W471-L543 HydrophobicContact CH2-CD2 4.33Å; W471-L543 HydrophobicContact CZ2-CD2 4.02Å; W471-N586 HydrophobicContact CZ2-CB 4.19Å; W471-N586 WeakPolarHBondContact CZ2-OD1 3.42Å; W471-I589 HydrophobicContact CH2-CB 4.08Å; W471-I589 HydrophobicContact CH2-CG2 3.64Å; W471-I589 HydrophobicContact CZ3-CG2 3.92Å; W471-I590 HydrophobicContact CD2-CD1 4.07Å; W471-I590 HydrophobicContact CD2-CG1 4.14Å; W471-I590 HydrophobicContact CE3-CD1 4.08Å; W471-I590 HydrophobicContact CE3-CG1 3.64Å; W471-I590 HydrophobicContact CG-CD1 4.37Å; W471-I590 HydrophobicContact CH2-CG1 4.48Å; W471-I590 HydrophobicContact CZ3-CG1 3.85Å; W471-L593 HydrophobicContact CZ3-CD1 3.96Å
472F97.8Very high92.1Very high0 Ų046.4 Ų46.40%025%0.245CC..EExtended strand (participates in β ladder)trans-110127177.3-178.6-114.7000112I447 L456 P474 V483 L492 Y494 F495 S496I447-F472 HydrophobicContact CD1-CB 4.42Å; I447-F472 HydrophobicContact CD1-CD2 3.81Å; I447-F472 HydrophobicContact CG1-CB 4.32Å; I447-F472 HydrophobicContact CG1-CD2 3.9Å; I447-F472 WeakPolarHBondContact O-CA 3.39Å; I447-F472 WeakPolarHBondContact O-CD2 3.46Å; L456-F472 HydrophobicContact CD2-CE2 4.3Å; F472-P474 HydrophobicContact CE1-CG 4.44Å; F472-V483 HydrophobicContact CD1-CB 4.33Å; F472-V483 HydrophobicContact CD1-CG1 3.86Å; F472-V483 HydrophobicContact CE1-CB 3.91Å; F472-V483 HydrophobicContact CE1-CG1 3.44Å; F472-V483 VanDerWaalsContact CE1-CG1 3.44Å; F472-V483 HydrophobicContact CE2-CB 4.36Å; F472-V483 HydrophobicContact CZ-CB 3.92Å; F472-V483 HydrophobicContact CZ-CG1 3.95Å; F472-L492 HydrophobicContact CB-CD1 3.76Å; F472-L492 HydrophobicContact CB-CD2 3.73Å; F472-L492 HydrophobicContact CB-CG 4.33Å; F472-L492 HydrophobicContact CD1-CD1 4.06Å; F472-L492 HydrophobicContact CG-CD1 4.14Å; F472-L492 HydrophobicContact CG-CD2 4.46Å; F472-Y494 PolarHBondContact N-O 3.32Å; F472-F495 HydrophobicContact CB-CD2 4.48Å; F472-F495 AromaticContact CD1-CD2 3.69Å; F472-F495 HydrophobicContact CD1-CD2 3.69Å; F472-F495 AromaticContact CD1-CE2 3.58Å; F472-F495 HydrophobicContact CD1-CE2 3.58Å; F472-F495 HydrophobicContact CE1-CD2 4.48Å; F472-F495 AromaticContact CE1-CE2 3.93Å; F472-F495 HydrophobicContact CE1-CE2 3.93Å; F472-S496 PolarHBondContact O-N 3.32Å; F472-S496 PolarHBondContact O-OG 2.96Å
473D97.4Very high91.9Very high14 Ų1445.6 Ų45.68%0.07524%0.241CC..EExtended strand (participates in β ladder)trans-113.2122.5170.8-168.8-67.8000110.1V352 I447 D448 G449 A475 S496 N586V352-D473 HydrophobicContact CG1-CB 3.86Å; I447-D473 PolarHBondContact O-N 3.03Å; D448-D473 CarbonylContact C-O 3.53Å; D448-D473 WeakPolarHBondContact CA-O 3.22Å; G449-D473 PolarHBondContact N-O 2.81Å; D473-A475 PolarHBondContact O-N 2.93Å; D473-A475 PolarHBondContact OD1-N 3.44Å; D473-S496 PolarHBondContact OD2-OG 2.94Å; D473-S496 VanDerWaalsContact OD2-OG 3.06Å; D473-N586 PolarHBondContact OD2-ND2 3.21Å
474P95.2Very high91.6Very high0 Ų046.8 Ų46.80%025%0.247CC..  trans-58.4-28.5-178.7-29.136000116.5G449 F472 D476 K479 A480 F495 P497 E501G449-P474 WeakPolarHBondContact CA-O 3.32Å; F472-P474 HydrophobicContact CE1-CG 4.44Å; P474-D476 PolarHBondContact O-N 2.86Å; P474-K479 WeakPolarHBondContact O-CB 3.49Å; P474-A480 HydrophobicContact CB-CB 3.75Å; P474-A480 HydrophobicContact CG-CB 4.31Å; P474-F495 HydrophobicContact CG-CE2 3.62Å; P474-F495 HydrophobicContact CG-CZ 4.15Å; P474-P497 HydrophobicContact CG-CB 3.9Å; P474-E501 HydrophobicContact CB-CB 4.14Å; P474-E501 HydrophobicContact CB-CG 3.85Å; P474-E501 HydrophobicContact CG-CB 4.05Å; P474-E501 HydrophobicContact CG-CG 4.27Å; P474-E501 WeakPolarHBondContact CG-OE2 3.32Å
475A91.4Very high91.4Very high32 Ų3248 Ų4826%0.26425%0.25SS..SBendtrans58.1-36.9-166.300000117.1V352 D448 D473V352-A475 HydrophobicContact CB-CB 4.48Å; V352-A475 HydrophobicContact CG2-CB 3.73Å; D448-A475 HydrophobicContact CB-CB 4.49Å; D473-A475 PolarHBondContact O-N 2.93Å; D473-A475 PolarHBondContact OD1-N 3.44Å
476D91Very high91.1Very high63 Ų6345.3 Ų45.334%0.33723%0.231SC..SBendtrans-158.5156.3174.9172.968.5000111.4P474 K478 K479 A480 E501P474-D476 PolarHBondContact O-N 2.86Å; D476-K478 VanDerWaalsContact C-N 3.34Å; D476-K478 PolarHBondContact O-N 3.3Å; D476-K478 WeakPolarHBondContact OD2-CB 3.26Å; D476-K478 PolarHBondContact OD2-N 2.96Å; D476-K479 HydrophobicContact CB-CD 4.11Å; D476-K479 HydrophobicContact CB-CG 4.38Å; D476-K479 CarbonylContact O-C 3.42Å; D476-K479 WeakPolarHBondContact O-CA 3.38Å; D476-K479 WeakPolarHBondContact O-CB 3.32Å; D476-K479 PolarHBondContact O-N 2.8Å; D476-A480 PolarHBondContact O-N 2.94Å; D476-E501 WeakPolarHBondContact CA-OE1 3.34Å; D476-E501 PolarHBondContact N-OE1 3.08Å
477R89.6Confident90.9Very high113 Ų11348.5 Ų48.543%0.42625%0.248SC..Hα-helixtrans-48.9-45.4176.9-66.3-176.467.8-175.72.6114.8K479 N500 E501 D504R477-K479 VanDerWaalsContact C-N 3.26Å; R477-K479 PolarHBondContact O-N 2.89Å; R477-N500 HydrophobicContact CG-CB 4.01Å; R477-E501 HydrophobicContact CG-CG 4.18Å; R477-D504 WeakPolarHBondContact CB-OD2 3.28Å; R477-D504 IonicContact CZ-OD1 3.29Å; R477-D504 IonicContact CZ-OD2 2.78Å; R477-D504 VanDerWaalsContact CZ-OD2 3.31Å; R477-D504 IonicContact NE-OD1 3.83Å; R477-D504 IonicContact NE-OD2 3.94Å; R477-D504 PolarHBondContact NE-OD2 2.94Å; R477-D504 IonicContact NH2-OD1 2.72Å; R477-D504 PolarHBondContact NH2-OD1 3.38Å; R477-D504 IonicContact NH2-OD2 3.82Å; R477-D504 PolarHBondContact NH2-OD2 3.49Å
478K87.4Confident90.6Very high181 Ų18145.9 Ų45.979%0.78722%0.22SC*.Hα-helixtrans-69.1-30.9-179.3-66.9-180-179.1175.10111.3D476D476-K478 VanDerWaalsContact C-N 3.34Å; D476-K478 PolarHBondContact O-N 3.3Å; D476-K478 WeakPolarHBondContact OD2-CB 3.26Å; D476-K478 PolarHBondContact OD2-N 2.96Å
479K87.9Confident90.3Very high24 Ų2447 Ų4710%0.10422%0.222CC..Hα-helixtrans-84.6-31.7-176.6-65.8173.6-167.3164.50112.1G449 N450 P474 D476 R477 K481 R482G449-K479 WeakPolarHBondContact O-CB 3.39Å; N450-K479 WeakPolarHBondContact OD1-CE 3.22Å; N450-K479 PolarHBondContact OD1-NZ 2.81Å; P474-K479 WeakPolarHBondContact O-CB 3.49Å; D476-K479 HydrophobicContact CB-CD 4.11Å; D476-K479 HydrophobicContact CB-CG 4.38Å; D476-K479 CarbonylContact O-C 3.42Å; D476-K479 WeakPolarHBondContact O-CA 3.38Å; D476-K479 WeakPolarHBondContact O-CB 3.32Å; D476-K479 PolarHBondContact O-N 2.8Å; R477-K479 VanDerWaalsContact C-N 3.26Å; R477-K479 PolarHBondContact O-N 2.89Å; K479-K481 PolarHBondContact O-N 3.17Å; K479-R482 WeakPolarHBondContact O-CB 3.2Å; K479-R482 WeakPolarHBondContact O-CG 3.29Å; K479-R482 PolarHBondContact O-N 3.44Å
480A83.8Confident90Very high1 Ų149.2 Ų49.21%0.00823%0.228CC..Hα-helixtrans-46.4-38.3175.800000113.1P474 D476 R482 F484 E501P474-A480 HydrophobicContact CB-CB 3.75Å; P474-A480 HydrophobicContact CG-CB 4.31Å; D476-A480 PolarHBondContact O-N 2.94Å; A480-R482 VanDerWaalsContact C-N 3.28Å; A480-R482 PolarHBondContact O-N 2.77Å; A480-F484 WeakPolarHBondContact O-CD2 3.43Å; A480-E501 HydrophobicContact CB-CB 4.24Å; A480-E501 HydrophobicContact CB-CG 4.32Å
481K88.2Confident89.6Confident93 Ų9351.4 Ų51.440%0.40424%0.24SC..THydrogen-bonded Turntrans-72.1-16.9-176-51.7-172.3179179.80113.9K479 V483 F484 L508K479-K481 PolarHBondContact O-N 3.17Å; K481-V483 PolarHBondContact O-N 3.11Å; K481-F484 PolarHBondContact O-N 2.95Å; K481-L508 HydrophobicContact CB-CD1 3.93Å; K481-L508 HydrophobicContact CG-CD1 3.93Å
482R90Very high89.4Confident61 Ų6151.6 Ų51.623%0.2324%0.241CC..THydrogen-bonded Turntrans-63.1-42.8-173.5-70.2177.7179.6-174.6-2.3112.2G449 N450 V451 F453 L456 K479 A480 F484 K485G449-R482 WeakPolarHBondContact O-CD 3.48Å; G449-R482 PolarHBondContact O-NH1 3.17Å; N450-R482 PolarHBondContact O-NH1 3.32Å; V451-R482 PolarHBondContact O-NH1 2.99Å; F453-R482 WeakPolarHBondContact CD2-O 3.46Å; L456-R482 HydrophobicContact CD1-CB 3.84Å; K479-R482 WeakPolarHBondContact O-CB 3.2Å; K479-R482 WeakPolarHBondContact O-CG 3.29Å; K479-R482 PolarHBondContact O-N 3.44Å; A480-R482 VanDerWaalsContact C-N 3.28Å; A480-R482 PolarHBondContact O-N 2.77Å; R482-F484 PolarHBondContact O-N 3.19Å; R482-K485 WeakPolarHBondContact O-CB 3.44Å; R482-K485 PolarHBondContact O-N 2.73Å
483V88.1Confident89.3Confident1 Ų152.6 Ų52.61%0.00625%0.247CC..G310 helixtrans-67.1-24.8-177.775.30000112.8F472 K481 W489 L492F472-V483 HydrophobicContact CD1-CB 4.33Å; F472-V483 HydrophobicContact CD1-CG1 3.86Å; F472-V483 HydrophobicContact CE1-CB 3.91Å; F472-V483 HydrophobicContact CE1-CG1 3.44Å; F472-V483 VanDerWaalsContact CE1-CG1 3.44Å; F472-V483 HydrophobicContact CE2-CB 4.36Å; F472-V483 HydrophobicContact CZ-CB 3.92Å; F472-V483 HydrophobicContact CZ-CG1 3.95Å; K481-V483 PolarHBondContact O-N 3.11Å; V483-W489 HydrophobicContact CG1-CB 4.2Å; V483-W489 HydrophobicContact CG2-CB 4.19Å; V483-W489 PolarHBondContact O-N 3.39Å; V483-L492 HydrophobicContact CG1-CD1 4.36Å; V483-L492 HydrophobicContact CG2-CD1 3.97Å; V483-L492 HydrophobicContact CG2-CD2 4.33Å; V483-L492 HydrophobicContact CG2-CG 4.39Å
484F88.3Confident89.3Confident24 Ų2453.2 Ų53.211%0.10525%0.249CC..G310 helixtrans-86.1-3.3179.2-63.9-85.3000114A480 K481 R482 S486 W489 F495 L508 M509A480-F484 WeakPolarHBondContact O-CD2 3.43Å; K481-F484 PolarHBondContact O-N 2.95Å; R482-F484 PolarHBondContact O-N 3.19Å; F484-S486 PolarHBondContact O-N 3.33Å; F484-W489 HydrophobicContact CD1-CB 3.86Å; F484-W489 AromaticContact CD1-CD1 3.83Å; F484-W489 AromaticContact CD1-CD2 3.94Å; F484-W489 HydrophobicContact CD1-CD2 3.94Å; F484-W489 AromaticContact CD1-CG 3.6Å; F484-W489 HydrophobicContact CD1-CG 3.6Å; F484-W489 HydrophobicContact CE1-CB 3.96Å; F484-W489 AromaticContact CE1-CD2 3.89Å; F484-W489 HydrophobicContact CE1-CD2 3.89Å; F484-W489 HydrophobicContact CE1-CE3 4.03Å; F484-W489 AromaticContact CE1-CG 3.86Å; F484-W489 HydrophobicContact CE1-CG 3.86Å; F484-W489 HydrophobicContact CG-CB 4.38Å; F484-W489 HydrophobicContact CG-CG 4.44Å; F484-F495 HydrophobicContact CE2-CZ 4.39Å; F484-F495 HydrophobicContact CZ-CE1 4.35Å; F484-F495 HydrophobicContact CZ-CZ 4.41Å; F484-L508 HydrophobicContact CB-CB 3.91Å; F484-L508 HydrophobicContact CB-CD1 3.7Å; F484-L508 HydrophobicContact CB-CG 4.32Å; F484-L508 HydrophobicContact CD1-CB 3.94Å; F484-L508 HydrophobicContact CD2-CD1 3.82Å; F484-L508 HydrophobicContact CG-CB 3.88Å; F484-L508 HydrophobicContact CG-CD1 3.83Å; F484-L508 HydrophobicContact CG-CG 4.49Å; F484-M509 HydrophobicContact CE1-CE 3.67Å; F484-M509 HydrophobicContact CE1-CG 3.97Å; F484-M509 HydrophobicContact CZ-CE 3.49Å; F484-M509 VanDerWaalsContact CZ-CE 3.49Å
485K86.3Confident89.4Confident146 Ų14653.4 Ų53.464%0.63525%0.249SC*.G310 helixtrans-69.4-11.5176.8-71.6-177.1175.7-173.10113.3F453 R482F453-K485 HydrophobicContact CD2-CB 3.79Å; F453-K485 HydrophobicContact CD2-CD 4.15Å; F453-K485 HydrophobicContact CE2-CB 3.43Å; F453-K485 VanDerWaalsContact CE2-CB 3.43Å; F453-K485 HydrophobicContact CG-CD 4.27Å; F453-K485 HydrophobicContact CZ-CB 3.92Å; R482-K485 WeakPolarHBondContact O-CB 3.44Å; R482-K485 PolarHBondContact O-N 2.73Å
486S83.6Confident89.7Confident34 Ų3452 Ų5224%0.23824%0.238CC..SBendtrans-144178.1172.763.80000109.4F484 C488 W489F484-S486 PolarHBondContact O-N 3.33Å; S486-C488 PolarHBondContact O-N 3.32Å; S486-C488 WeakPolarHBondContact OG-CB 3.21Å; S486-C488 PolarHBondContact OG-N 3.19Å; S486-C488 PolarHBondContact OG-SG 3.11Å; S486-W489 VanDerWaalsContact O-CD1 3.27Å
487D85.2Confident90Very high104 Ų10449 Ų4956%0.55622%0.222SC*.G310 helixtrans-66.63174.5-79.9-27.9000114.2W489 K490D487-W489 PolarHBondContact O-N 2.93Å; D487-K490 HydrophobicContact CB-CD 4.16Å; D487-K490 VanDerWaalsContact CG-NZ 3.32Å; D487-K490 VanDerWaalsContact O-CB 3.3Å; D487-K490 WeakPolarHBondContact O-CB 3.36Å; D487-K490 PolarHBondContact O-N 3.5Å; D487-K490 VanDerWaalsContact OD1-CE 3.27Å; D487-K490 WeakPolarHBondContact OD1-CE 3.45Å; D487-K490 IonicContact OD1-NZ 3.06Å; D487-K490 PolarHBondContact OD1-NZ 3.22Å; D487-K490 IonicContact OD2-NZ 3.31Å
488C84.5Confident90.3Very high10 Ų1045.9 Ų45.97%0.06821%0.213CC..G310 helixtrans-56.8-33.2179.3-720000113.4S457 C460 S486 K490 N491S457-C488 VanDerWaalsContact CA-SG 3.54Å; S457-C488 PolarHBondContact OG-SG 2.7Å; C460-C488 HydrophobicContact CB-CB 3.93Å; S486-C488 PolarHBondContact O-N 3.32Å; S486-C488 WeakPolarHBondContact OG-CB 3.21Å; S486-C488 PolarHBondContact OG-N 3.19Å; S486-C488 PolarHBondContact OG-SG 3.11Å; C488-K490 PolarHBondContact O-N 3.12Å; C488-N491 WeakPolarHBondContact O-CB 3.4Å; C488-N491 PolarHBondContact O-N 2.99Å
489W87.5Confident90.7Very high49 Ų4939.3 Ų39.319%0.18618%0.184CC..G310 helixtrans-59.9-26.4176.676.1-90.7000113.1V483 F484 S486 D487 N491 L492V483-W489 HydrophobicContact CG1-CB 4.2Å; V483-W489 HydrophobicContact CG2-CB 4.19Å; V483-W489 PolarHBondContact O-N 3.39Å; F484-W489 HydrophobicContact CD1-CB 3.86Å; F484-W489 AromaticContact CD1-CD1 3.83Å; F484-W489 AromaticContact CD1-CD2 3.94Å; F484-W489 HydrophobicContact CD1-CD2 3.94Å; F484-W489 AromaticContact CD1-CG 3.6Å; F484-W489 HydrophobicContact CD1-CG 3.6Å; F484-W489 HydrophobicContact CE1-CB 3.96Å; F484-W489 AromaticContact CE1-CD2 3.89Å; F484-W489 HydrophobicContact CE1-CD2 3.89Å; F484-W489 HydrophobicContact CE1-CE3 4.03Å; F484-W489 AromaticContact CE1-CG 3.86Å; F484-W489 HydrophobicContact CE1-CG 3.86Å; F484-W489 HydrophobicContact CG-CB 4.38Å; F484-W489 HydrophobicContact CG-CG 4.44Å; S486-W489 VanDerWaalsContact O-CD1 3.27Å; D487-W489 PolarHBondContact O-N 2.93Å; W489-N491 PolarHBondContact O-N 2.82Å; W489-L492 HydrophobicContact CB-CD1 4.41Å; W489-L492 WeakPolarHBondContact O-CB 3.32Å; W489-L492 WeakPolarHBondContact O-CG 3.08Å; W489-L492 PolarHBondContact O-N 2.7Å
490K89.6Confident91Very high83 Ų8341.9 Ų41.936%0.36120%0.199SC..G310 helixtrans-71.1-15.1176.5-61.5174176161.10113D487 C488 N538D487-K490 HydrophobicContact CB-CD 4.16Å; D487-K490 VanDerWaalsContact CG-NZ 3.32Å; D487-K490 VanDerWaalsContact O-CB 3.3Å; D487-K490 WeakPolarHBondContact O-CB 3.36Å; D487-K490 PolarHBondContact O-N 3.5Å; D487-K490 VanDerWaalsContact OD1-CE 3.27Å; D487-K490 WeakPolarHBondContact OD1-CE 3.45Å; D487-K490 IonicContact OD1-NZ 3.06Å; D487-K490 PolarHBondContact OD1-NZ 3.22Å; D487-K490 IonicContact OD2-NZ 3.31Å; C488-K490 PolarHBondContact O-N 3.12Å; K490-N538 WeakPolarHBondContact O-CB 3.44Å; K490-N538 PolarHBondContact O-ND2 3.39Å
491N90.2Very high91.5Very high46 Ų4642.3 Ų42.325%0.24620%0.201CC..G310 helixtrans-94-2.4177.9-67.6-21.6000112.8Q464 C488 W489Q464-N491 PolarHBondContact NE2-OD1 3.07Å; Q464-N491 PolarHBondContact OE1-ND2 2.89Å; C488-N491 WeakPolarHBondContact O-CB 3.4Å; C488-N491 PolarHBondContact O-N 2.99Å; W489-N491 PolarHBondContact O-N 2.82Å
492L95.1Very high91.9Very high5 Ų537.9 Ų37.93%0.02618%0.181CC..  trans-70.5141.3177.4-60.4179.8000110.7I447 I470 F472 V483 W489 L539I447-L492 HydrophobicContact CD1-CD2 4.28Å; I470-L492 HydrophobicContact CB-CD2 4.21Å; I470-L492 HydrophobicContact CG2-CD2 3.74Å; F472-L492 HydrophobicContact CB-CD1 3.76Å; F472-L492 HydrophobicContact CB-CD2 3.73Å; F472-L492 HydrophobicContact CB-CG 4.33Å; F472-L492 HydrophobicContact CD1-CD1 4.06Å; F472-L492 HydrophobicContact CG-CD1 4.14Å; F472-L492 HydrophobicContact CG-CD2 4.46Å; V483-L492 HydrophobicContact CG1-CD1 4.36Å; V483-L492 HydrophobicContact CG2-CD1 3.97Å; V483-L492 HydrophobicContact CG2-CD2 4.33Å; V483-L492 HydrophobicContact CG2-CG 4.39Å; W489-L492 HydrophobicContact CB-CD1 4.41Å; W489-L492 WeakPolarHBondContact O-CB 3.32Å; W489-L492 WeakPolarHBondContact O-CG 3.08Å; W489-L492 PolarHBondContact O-N 2.7Å; L492-L539 HydrophobicContact CB-CD2 3.72Å
493T95.7Very high92.1Very high21 Ų2136.6 Ų36.613%0.12918%0.179CC..SBendtrans-99.2-38.2174.9-48.50000111.4P469 I470 K540 L541P469-T493 VanDerWaalsContact CA-OG1 3.32Å; P469-T493 WeakPolarHBondContact CA-OG1 3.22Å; P469-T493 HydrophobicContact CB-CG2 3.84Å; P469-T493 WeakPolarHBondContact CB-OG1 3.43Å; I470-T493 PolarHBondContact N-OG1 3.11Å; I470-T493 WeakPolarHBondContact O-CA 3.29Å; I470-T493 WeakPolarHBondContact O-CB 3.32Å; I470-T493 PolarHBondContact O-N 3.49Å; T493-K540 HydrophobicContact CG2-CB 4.06Å; T493-K540 HydrophobicContact CG2-CD 3.74Å; T493-K540 HydrophobicContact CG2-CG 3.81Å; T493-K540 PolarHBondContact O-N 2.9Å; T493-L541 PolarHBondContact O-N 3.15Å
494Y97.1Very high92.3Very high27 Ų2738.2 Ų38.211%0.10619%0.187CC..EExtended strand (participates in β ladder)trans-131140.4179.4-48.8-91.5000109.8L444 P469 I470 W471 F472 K540 L541 L593L444-Y494 HydrophobicContact CD1-CD2 4.04Å; L444-Y494 HydrophobicContact CD1-CE2 3.74Å; P469-Y494 HydrophobicContact CB-CE2 4.12Å; I470-Y494 PolarHBondContact O-N 3.38Å; W471-Y494 HydrophobicContact CB-CD2 4.29Å; W471-Y494 VanDerWaalsContact CD2-CB 3.44Å; W471-Y494 HydrophobicContact CD2-CD2 4.43Å; W471-Y494 HydrophobicContact CD2-CG 4Å; W471-Y494 AromaticContact CE3-CD1 3.77Å; W471-Y494 HydrophobicContact CE3-CD1 3.77Å; W471-Y494 AromaticContact CE3-CD2 3.72Å; W471-Y494 HydrophobicContact CE3-CD2 3.72Å; W471-Y494 HydrophobicContact CE3-CE2 4.5Å; W471-Y494 AromaticContact CE3-CG 3.33Å; W471-Y494 HydrophobicContact CE3-CG 3.33Å; W471-Y494 AromaticContact CZ3-CD1 3.68Å; W471-Y494 HydrophobicContact CZ3-CD1 3.68Å; W471-Y494 HydrophobicContact CZ3-CD2 4.43Å; W471-Y494 HydrophobicContact CZ3-CE1 4.4Å; W471-Y494 AromaticContact CZ3-CG 3.75Å; W471-Y494 HydrophobicContact CZ3-CG 3.75Å; F472-Y494 PolarHBondContact N-O 3.32Å; Y494-K540 HydrophobicContact CE1-CB 4.39Å; Y494-L541 WeakPolarHBondContact CA-O 3.35Å; Y494-L541 HydrophobicContact CD1-CB 3.8Å; Y494-L541 HydrophobicContact CD1-CD2 4.26Å; Y494-L541 HydrophobicContact CE1-CB 4.34Å; Y494-L593 HydrophobicContact CD1-CD1 4.35Å; Y494-L593 HydrophobicContact CE1-CD1 3.72Å
495F97Very high92.5Very high3 Ų337 Ų371%0.01318%0.182CC..EExtended strand (participates in β ladder)trans-134.8123.1177.7-177.9-145000110.2F472 P474 F484 P497 M509 L539 L541 L542 L543F472-F495 HydrophobicContact CB-CD2 4.48Å; F472-F495 AromaticContact CD1-CD2 3.69Å; F472-F495 HydrophobicContact CD1-CD2 3.69Å; F472-F495 AromaticContact CD1-CE2 3.58Å; F472-F495 HydrophobicContact CD1-CE2 3.58Å; F472-F495 HydrophobicContact CE1-CD2 4.48Å; F472-F495 AromaticContact CE1-CE2 3.93Å; F472-F495 HydrophobicContact CE1-CE2 3.93Å; P474-F495 HydrophobicContact CG-CE2 3.62Å; P474-F495 HydrophobicContact CG-CZ 4.15Å; F484-F495 HydrophobicContact CE2-CZ 4.39Å; F484-F495 HydrophobicContact CZ-CE1 4.35Å; F484-F495 HydrophobicContact CZ-CZ 4.41Å; F495-P497 HydrophobicContact CD1-CG 4.02Å; F495-P497 HydrophobicContact CE1-CB 4.18Å; F495-P497 HydrophobicContact CE1-CG 3.69Å; F495-P497 HydrophobicContact CE2-CB 4.13Å; F495-P497 HydrophobicContact CE2-CG 4.25Å; F495-P497 HydrophobicContact CG-CG 4.42Å; F495-P497 HydrophobicContact CZ-CB 3.78Å; F495-P497 HydrophobicContact CZ-CG 3.81Å; F495-P497 WeakPolarHBondContact O-CD 3.38Å; F495-M509 HydrophobicContact CD1-CE 4.48Å; F495-M509 HydrophobicContact CE1-CE 4.03Å; F495-L539 HydrophobicContact CB-CD1 3.88Å; F495-L539 HydrophobicContact CB-CD2 3.84Å; F495-L539 HydrophobicContact CD1-CD1 4.4Å; F495-L541 PolarHBondContact N-O 3.01Å; F495-L542 HydrophobicContact CB-CD1 4.4Å; F495-L542 HydrophobicContact CD1-CD1 3.71Å; F495-L542 HydrophobicContact CE1-CD1 4.39Å; F495-L542 HydrophobicContact CG-CD1 4.31Å; F495-L542 WeakPolarHBondContact O-CA 3.35Å; F495-L543 PolarHBondContact O-N 3.02Å
496S97.5Very high92.8Very high4 Ų430.3 Ų30.33%0.02815%0.153CC..  trans-120.260-173.458.50000115W471 F472 D473 L543 N586W471-S496 PolarHBondContact NE1-OG 2.91Å; F472-S496 PolarHBondContact O-N 3.32Å; F472-S496 PolarHBondContact O-OG 2.96Å; D473-S496 PolarHBondContact OD2-OG 2.94Å; D473-S496 VanDerWaalsContact OD2-OG 3.06Å; S496-L543 CarbonylContact C-O 3.56Å; S496-L543 VanDerWaalsContact CA-O 3.28Å; S496-L543 WeakPolarHBondContact CA-O 3.31Å; S496-N586 WeakPolarHBondContact CB-OD1 3.42Å; S496-N586 PolarHBondContact OG-ND2 3.41Å
497P97.1Very high93.2Very high0 Ų032.7 Ų32.70%017%0.168CC..  trans-76.7156.4179.534.3-36.7000113.1P474 F495 E501 F502 L542 L544 T545P474-P497 HydrophobicContact CG-CB 3.9Å; F495-P497 HydrophobicContact CD1-CG 4.02Å; F495-P497 HydrophobicContact CE1-CB 4.18Å; F495-P497 HydrophobicContact CE1-CG 3.69Å; F495-P497 HydrophobicContact CE2-CB 4.13Å; F495-P497 HydrophobicContact CE2-CG 4.25Å; F495-P497 HydrophobicContact CG-CG 4.42Å; F495-P497 HydrophobicContact CZ-CB 3.78Å; F495-P497 HydrophobicContact CZ-CG 3.81Å; F495-P497 WeakPolarHBondContact O-CD 3.38Å; P497-E501 HydrophobicContact CB-CB 3.89Å; P497-F502 HydrophobicContact CB-CB 4.09Å; P497-F502 HydrophobicContact CG-CB 3.93Å; P497-F502 HydrophobicContact CG-CD2 4.09Å; P497-F502 HydrophobicContact CG-CG 4.43Å; P497-L542 HydrophobicContact CG-CD1 3.77Å; P497-L544 HydrophobicContact CG-CD1 4.35Å; P497-L544 WeakPolarHBondContact O-CA 3.36Å; P497-T545 PolarHBondContact O-N 3.46Å; P497-T545 PolarHBondContact O-OG1 3.19Å
498N96Very high93.5Very high46 Ų4631.1 Ų31.125%0.24616%0.159CC..BIsolated β-bridgetrans-81.1172.9159.268.745.4000112.4N500 E501 F502 T545N498-N500 VanDerWaalsContact C-N 3.28Å; N498-N500 PolarHBondContact O-N 3.07Å; N498-N500 PolarHBondContact OD1-N 3.13Å; N498-E501 VanDerWaalsContact CG-OE2 3.26Å; N498-E501 PolarHBondContact N-OE2 3.35Å; N498-E501 PolarHBondContact ND2-OE1 3.43Å; N498-E501 PolarHBondContact ND2-OE2 3.21Å; N498-E501 PolarHBondContact O-N 3.44Å; N498-E501 WeakPolarHBondContact OD1-CG 3.42Å; N498-E501 PolarHBondContact OD1-N 2.85Å; N498-F502 WeakPolarHBondContact O-CB 3.28Å; N498-F502 PolarHBondContact O-N 3.31Å; N498-T545 CarbonylContact C-O 3.5Å; N498-T545 WeakPolarHBondContact CA-O 3.23Å; N498-T545 VanDerWaalsContact CA-OG1 3.26Å; N498-T545 WeakPolarHBondContact CA-OG1 3.37Å; N498-T545 WeakPolarHBondContact CB-OG1 3.49Å
499R95.6Very high93.7Very high44 Ų4431 Ų3117%0.16616%0.157CC..Hα-helixtrans-43.8-51.5178.6-170-170.8-69.999.10.6112.8L503 F519 L524 T545 L546 D547 E549R499-L503 HydrophobicContact CG-CD1 4.23Å; R499-L503 VanDerWaalsContact O-CG 3.26Å; R499-L503 WeakPolarHBondContact O-CG 2.82Å; R499-L503 PolarHBondContact O-N 2.88Å; R499-L503 VanDerWaalsContact O-N 3.08Å; R499-F519 PolarHBondContact NE-O 3.29Å; R499-L524 HydrophobicContact CG-CD1 4.02Å; R499-T545 PolarHBondContact N-O 3.18Å; R499-L546 HydrophobicContact CB-CD2 3.83Å; R499-L546 HydrophobicContact CG-CD2 4.03Å; R499-L546 PolarHBondContact NH2-O 3.44Å; R499-D547 IonicContact NH1-OD2 3.9Å; R499-D547 PolarHBondContact NH1-OD2 3.08Å; R499-D547 VanDerWaalsContact NH1-OD2 3.14Å; R499-E549 IonicContact CZ-OE1 3.64Å; R499-E549 IonicContact NH2-OE1 2.69Å; R499-E549 PolarHBondContact NH2-OE1 2.83Å
500N93.9Very high93.8Very high78 Ų7835.9 Ų35.942%0.41719%0.187SC..Hα-helixtrans-76.4-38.6-171.7-64.5-40.8000112.3R477 N498 F502 L503 D504R477-N500 HydrophobicContact CG-CB 4.01Å; N498-N500 VanDerWaalsContact C-N 3.28Å; N498-N500 PolarHBondContact O-N 3.07Å; N498-N500 PolarHBondContact OD1-N 3.13Å; N500-F502 VanDerWaalsContact C-N 3.32Å; N500-L503 PolarHBondContact O-N 3.11Å; N500-D504 WeakPolarHBondContact O-CB 3.44Å; N500-D504 PolarHBondContact O-N 3.42Å
501E95.6Very high93.9Very high10 Ų1032.6 Ų32.65%0.04717%0.174CC..Hα-helixtrans-64-39.7174.7-71.7154.4-172.600111.6P474 D476 R477 A480 P497 N498 D504 S505P474-E501 HydrophobicContact CB-CB 4.14Å; P474-E501 HydrophobicContact CB-CG 3.85Å; P474-E501 HydrophobicContact CG-CB 4.05Å; P474-E501 HydrophobicContact CG-CG 4.27Å; P474-E501 WeakPolarHBondContact CG-OE2 3.32Å; D476-E501 WeakPolarHBondContact CA-OE1 3.34Å; D476-E501 PolarHBondContact N-OE1 3.08Å; R477-E501 HydrophobicContact CG-CG 4.18Å; A480-E501 HydrophobicContact CB-CB 4.24Å; A480-E501 HydrophobicContact CB-CG 4.32Å; P497-E501 HydrophobicContact CB-CB 3.89Å; N498-E501 VanDerWaalsContact CG-OE2 3.26Å; N498-E501 PolarHBondContact N-OE2 3.35Å; N498-E501 PolarHBondContact ND2-OE1 3.43Å; N498-E501 PolarHBondContact ND2-OE2 3.21Å; N498-E501 PolarHBondContact O-N 3.44Å; N498-E501 WeakPolarHBondContact OD1-CG 3.42Å; N498-E501 PolarHBondContact OD1-N 2.85Å; E501-D504 PolarHBondContact O-N 2.71Å; E501-S505 WeakPolarHBondContact O-CB 3.43Å; E501-S505 PolarHBondContact O-N 3.35Å
502F95.5Very high93.9Very high0 Ų041.6 Ų41.60%020%0.204CC..Hα-helixtrans-64.1-50.1175.9-178.7-113.3000111.1P497 N498 N500 D504 S505 L506 I528 V535 L542 L544P497-F502 HydrophobicContact CB-CB 4.09Å; P497-F502 HydrophobicContact CG-CB 3.93Å; P497-F502 HydrophobicContact CG-CD2 4.09Å; P497-F502 HydrophobicContact CG-CG 4.43Å; N498-F502 WeakPolarHBondContact O-CB 3.28Å; N498-F502 PolarHBondContact O-N 3.31Å; N500-F502 VanDerWaalsContact C-N 3.32Å; F502-D504 VanDerWaalsContact C-N 3.28Å; F502-D504 PolarHBondContact O-N 2.58Å; F502-S505 WeakPolarHBondContact O-CA 3.5Å; F502-S505 WeakPolarHBondContact O-CB 3.22Å; F502-S505 PolarHBondContact O-N 2.82Å; F502-S505 PolarHBondContact O-OG 2.75Å; F502-L506 HydrophobicContact CD1-CD2 4.5Å; F502-L506 HydrophobicContact CE1-CD1 4.33Å; F502-L506 HydrophobicContact CE1-CD2 3.88Å; F502-L506 HydrophobicContact CE1-CG 4.36Å; F502-L506 HydrophobicContact CE2-CD2 4Å; F502-L506 HydrophobicContact CZ-CD2 3.6Å; F502-L506 WeakPolarHBondContact O-CG 3.34Å; F502-L506 PolarHBondContact O-N 2.83Å; F502-L506 VanDerWaalsContact O-N 3.13Å; F502-I528 HydrophobicContact CE1-CD1 4.11Å; F502-I528 HydrophobicContact CE1-CG1 4.1Å; F502-I528 HydrophobicContact CZ-CD1 4.08Å; F502-I528 HydrophobicContact CZ-CG1 3.87Å; F502-V535 HydrophobicContact CE2-CG1 4.08Å; F502-V535 HydrophobicContact CZ-CG1 4.15Å; F502-L542 HydrophobicContact CD2-CD1 4.31Å; F502-L542 HydrophobicContact CD2-CD2 4.35Å; F502-L542 HydrophobicContact CE2-CD1 4.33Å; F502-L542 HydrophobicContact CE2-CD2 3.66Å; F502-L542 HydrophobicContact CZ-CD2 4.09Å; F502-L544 HydrophobicContact CB-CD1 3.51Å; F502-L544 HydrophobicContact CD1-CD1 4.14Å; F502-L544 HydrophobicContact CD1-CD2 3.84Å; F502-L544 HydrophobicContact CE1-CD2 4.17Å; F502-L544 HydrophobicContact CG-CD1 3.86Å; F502-L544 HydrophobicContact CG-CD2 4.3Å
503L94.4Very high93.6Very high34 Ų3442.9 Ų42.918%0.17821%0.212CC..Hα-helixtrans-56.9-41.1176.2-70.6171.5000112.1R499 N500 S505 L506 P507 F519 L524R499-L503 HydrophobicContact CG-CD1 4.23Å; R499-L503 VanDerWaalsContact O-CG 3.26Å; R499-L503 WeakPolarHBondContact O-CG 2.82Å; R499-L503 PolarHBondContact O-N 2.88Å; R499-L503 VanDerWaalsContact O-N 3.08Å; N500-L503 PolarHBondContact O-N 3.11Å; L503-S505 PolarHBondContact O-N 3.3Å; L503-L506 HydrophobicContact CD2-CD1 4.05Å; L503-L506 PolarHBondContact O-N 3.33Å; L503-P507 WeakPolarHBondContact O-CD 3.44Å; L503-F519 HydrophobicContact CD1-CB 4.22Å; L503-F519 HydrophobicContact CD1-CD1 4.32Å; L503-F519 HydrophobicContact CD1-CD2 3.93Å; L503-F519 HydrophobicContact CD1-CE2 4.38Å; L503-F519 HydrophobicContact CD1-CG 3.9Å; L503-F519 HydrophobicContact CD2-CD1 3.75Å; L503-F519 HydrophobicContact CD2-CE1 3.85Å; L503-F519 HydrophobicContact CD2-CG 4.18Å; L503-F519 HydrophobicContact CD2-CZ 4.37Å; L503-L524 HydrophobicContact CD2-CD2 4.31Å
504D92.6Very high93.1Very high34 Ų3447.6 Ų47.618%0.18224%0.236CC..Hα-helixtrans-68.7-19.9176.2-77.8-11.7000113.5R477 N500 E501 F502R477-D504 WeakPolarHBondContact CB-OD2 3.28Å; R477-D504 IonicContact CZ-OD1 3.29Å; R477-D504 IonicContact CZ-OD2 2.78Å; R477-D504 VanDerWaalsContact CZ-OD2 3.31Å; R477-D504 IonicContact NE-OD1 3.83Å; R477-D504 IonicContact NE-OD2 3.94Å; R477-D504 PolarHBondContact NE-OD2 2.94Å; R477-D504 IonicContact NH2-OD1 2.72Å; R477-D504 PolarHBondContact NH2-OD1 3.38Å; R477-D504 IonicContact NH2-OD2 3.82Å; R477-D504 PolarHBondContact NH2-OD2 3.49Å; N500-D504 WeakPolarHBondContact O-CB 3.44Å; N500-D504 PolarHBondContact O-N 3.42Å; E501-D504 PolarHBondContact O-N 2.71Å; F502-D504 VanDerWaalsContact C-N 3.28Å; F502-D504 PolarHBondContact O-N 2.58Å
505S92.7Very high92.1Very high0 Ų053.5 Ų53.50%027%0.27CS..Hα-helixtrans-87.2-24.6177.176.20000113.6E501 F502 L503 L508 M509E501-S505 WeakPolarHBondContact O-CB 3.43Å; E501-S505 PolarHBondContact O-N 3.35Å; F502-S505 WeakPolarHBondContact O-CA 3.5Å; F502-S505 WeakPolarHBondContact O-CB 3.22Å; F502-S505 PolarHBondContact O-N 2.82Å; F502-S505 PolarHBondContact O-OG 2.75Å; L503-S505 PolarHBondContact O-N 3.3Å; S505-L508 WeakPolarHBondContact O-CA 3.45Å; S505-L508 VanDerWaalsContact O-CB 3.31Å; S505-L508 WeakPolarHBondContact O-CB 3.32Å; S505-L508 PolarHBondContact O-N 2.88Å; S505-M509 PolarHBondContact O-N 3.41Å
506L92.7Very high91.1Very high5 Ų562.4 Ų62.43%0.02631%0.311CS..G310 helixtrans-55.4-45.9-177.1-66179.6000113.7F502 L503 L508 M509 N510 L511 V513 F527F502-L506 HydrophobicContact CD1-CD2 4.5Å; F502-L506 HydrophobicContact CE1-CD1 4.33Å; F502-L506 HydrophobicContact CE1-CD2 3.88Å; F502-L506 HydrophobicContact CE1-CG 4.36Å; F502-L506 HydrophobicContact CE2-CD2 4Å; F502-L506 HydrophobicContact CZ-CD2 3.6Å; F502-L506 WeakPolarHBondContact O-CG 3.34Å; F502-L506 PolarHBondContact O-N 2.83Å; F502-L506 VanDerWaalsContact O-N 3.13Å; L503-L506 HydrophobicContact CD2-CD1 4.05Å; L503-L506 PolarHBondContact O-N 3.33Å; L506-L508 PolarHBondContact O-N 3.19Å; L506-M509 CarbonylContact O-C 3.55Å; L506-M509 WeakPolarHBondContact O-CA 3.36Å; L506-M509 WeakPolarHBondContact O-CB 3.32Å; L506-M509 PolarHBondContact O-N 2.89Å; L506-N510 PolarHBondContact O-N 3.21Å; L506-L511 CarbonylContact C-O 3.24Å; L506-L511 VanDerWaalsContact C-O 3.24Å; L506-L511 HydrophobicContact CB-CB 4.17Å; L506-L511 HydrophobicContact CD2-CB 4.3Å; L506-L511 HydrophobicContact CD2-CD1 4.06Å; L506-L511 PolarHBondContact O-N 3.33Å; L506-V513 HydrophobicContact CD1-CG2 3.43Å; L506-V513 VanDerWaalsContact CD1-CG2 3.43Å; L506-F527 HydrophobicContact CD1-CE1 3.85Å; L506-F527 HydrophobicContact CD1-CZ 4.17Å; L506-F527 HydrophobicContact CD2-CE1 3.83Å; L506-F527 HydrophobicContact CD2-CZ 4.46Å
507P91.6Very high90.3Very high83 Ų8365.1 Ų65.154%0.53933%0.326SS..G310 helixtrans-62-29.1177.4-23.635.5000113.2L503 M509 N510 L511L503-P507 WeakPolarHBondContact O-CD 3.44Å; P507-M509 VanDerWaalsContact C-N 3.27Å; P507-N510 PolarHBondContact O-N 3.3Å; P507-L511 WeakPolarHBondContact CA-O 3.45Å
508L90.4Very high89.6Confident71 Ų7170.5 Ų70.537%0.37236%0.358SS..G310 helixtrans-75.4-20.9178.1-51.3174.6000111.8K481 F484 S505 L506 N510K481-L508 HydrophobicContact CB-CD1 3.93Å; K481-L508 HydrophobicContact CG-CD1 3.93Å; F484-L508 HydrophobicContact CB-CB 3.91Å; F484-L508 HydrophobicContact CB-CD1 3.7Å; F484-L508 HydrophobicContact CB-CG 4.32Å; F484-L508 HydrophobicContact CD1-CB 3.94Å; F484-L508 HydrophobicContact CD2-CD1 3.82Å; F484-L508 HydrophobicContact CG-CB 3.88Å; F484-L508 HydrophobicContact CG-CD1 3.83Å; F484-L508 HydrophobicContact CG-CG 4.49Å; S505-L508 WeakPolarHBondContact O-CA 3.45Å; S505-L508 VanDerWaalsContact O-CB 3.31Å; S505-L508 WeakPolarHBondContact O-CB 3.32Å; S505-L508 PolarHBondContact O-N 2.88Å; L506-L508 PolarHBondContact O-N 3.19Å; L508-N510 VanDerWaalsContact C-N 3.32Å
509M89.1Confident89.4Confident8 Ų870.2 Ų70.24%0.03936%0.355CS..G310 helixtrans-918.9170.3-58176.4-175.300112.6F484 F495 S505 L506 P507 L511F484-M509 HydrophobicContact CE1-CE 3.67Å; F484-M509 HydrophobicContact CE1-CG 3.97Å; F484-M509 HydrophobicContact CZ-CE 3.49Å; F484-M509 VanDerWaalsContact CZ-CE 3.49Å; F495-M509 HydrophobicContact CD1-CE 4.48Å; F495-M509 HydrophobicContact CE1-CE 4.03Å; S505-M509 PolarHBondContact O-N 3.41Å; L506-M509 CarbonylContact O-C 3.55Å; L506-M509 WeakPolarHBondContact O-CA 3.36Å; L506-M509 WeakPolarHBondContact O-CB 3.32Å; L506-M509 PolarHBondContact O-N 2.89Å; P507-M509 VanDerWaalsContact C-N 3.27Å; M509-L511 HydrophobicContact CB-CD1 4.39Å; M509-L511 HydrophobicContact CB-CG 4.45Å; M509-L511 PolarHBondContact O-N 3.47Å
510N89.8Confident89.3Confident152 Ų15270.6 Ų70.681%0.81336%0.36SS*.THydrogen-bonded Turntrans60.126.9-172.5-58.1-52.7000114.6L506 P507 L508L506-N510 PolarHBondContact O-N 3.21Å; P507-N510 PolarHBondContact O-N 3.3Å; L508-N510 VanDerWaalsContact C-N 3.32Å
511L92.6Very high89.2Confident14 Ų1467.8 Ų67.87%0.07335%0.347CS..  trans-103.1143.3173.8-66.4173.3000110.2L506 P507 M509 F527 H531 T534 V535L506-L511 CarbonylContact C-O 3.24Å; L506-L511 VanDerWaalsContact C-O 3.24Å; L506-L511 HydrophobicContact CB-CB 4.17Å; L506-L511 HydrophobicContact CD2-CB 4.3Å; L506-L511 HydrophobicContact CD2-CD1 4.06Å; L506-L511 PolarHBondContact O-N 3.33Å; P507-L511 WeakPolarHBondContact CA-O 3.45Å; M509-L511 HydrophobicContact CB-CD1 4.39Å; M509-L511 HydrophobicContact CB-CG 4.45Å; M509-L511 PolarHBondContact O-N 3.47Å; L511-F527 HydrophobicContact CB-CZ 4.26Å; L511-F527 HydrophobicContact CD1-CE1 4.38Å; L511-F527 HydrophobicContact CD1-CZ 4.4Å; L511-H531 HydrophobicContact CD1-CB 4.19Å; L511-H531 HydrophobicContact CD2-CB 4.11Å; L511-T534 HydrophobicContact CD1-CG2 4.05Å; L511-T534 HydrophobicContact CD2-CG2 3.95Å; L511-T534 HydrophobicContact CG-CG2 3.93Å; L511-V535 HydrophobicContact CD1-CG2 3.47Å; L511-V535 VanDerWaalsContact CD1-CG2 3.47Å
512R89.5Confident89.2Confident234 Ų23471 Ų7188%0.88337%0.37SS*.  trans-123.8143.8177.7-66.1-173.6-179.3-173.90.7109.6
513V89.3Confident89.2Confident32 Ų3273.4 Ų73.419%0.19438%0.381CS..  trans-138.4138.5174.3-162.60000108.5L506 N515 F519 F523 F527L506-V513 HydrophobicContact CD1-CG2 3.43Å; L506-V513 VanDerWaalsContact CD1-CG2 3.43Å; V513-N515 PolarHBondContact O-N 2.94Å; V513-F519 HydrophobicContact CB-CE1 4.22Å; V513-F519 HydrophobicContact CG1-CE1 3.61Å; V513-F519 HydrophobicContact CG1-CZ 4.38Å; V513-F523 HydrophobicContact CG1-CE1 3.7Å; V513-F523 HydrophobicContact CG1-CZ 3.4Å; V513-F523 VanDerWaalsContact CG1-CZ 3.4Å; V513-F527 HydrophobicContact CG2-CD2 4.1Å; V513-F527 HydrophobicContact CG2-CE1 4.12Å; V513-F527 HydrophobicContact CG2-CE2 3.46Å; V513-F527 VanDerWaalsContact CG2-CE2 3.46Å; V513-F527 HydrophobicContact CG2-CZ 3.46Å; V513-F527 VanDerWaalsContact CG2-CZ 3.46Å
514D84.2Confident89.2Confident120 Ų12071.9 Ų71.964%0.64237%0.373SS*.  trans-70.6127.6178.7-60.2-40.6000110.3E516 N517 F519D514-E516 PolarHBondContact O-N 3.12Å; D514-E516 VanDerWaalsContact O-N 3.16Å; D514-N517 WeakPolarHBondContact O-CB 3.44Å; D514-N517 PolarHBondContact O-N 2.85Å; D514-N517 PolarHBondContact O-ND2 3.16Å; D514-F519 WeakPolarHBondContact O-CZ 3.27Å
515N77Confident89.4Confident151 Ų15174.1 Ų74.181%0.80738%0.381SS*.THydrogen-bonded Turntrans-66.5-11.5-179.2-72.3-24.9000113.6V513 N517V513-N515 PolarHBondContact O-N 2.94Å; N515-N517 VanDerWaalsContact C-N 3.27Å
516E75.6Confident89.5Confident190 Ų19077.8 Ų77.889%0.88841%0.407SS*.THydrogen-bonded Turntrans-77.3-13.1175.8-63.1-172.2174.200112.8D514D514-E516 PolarHBondContact O-N 3.12Å; D514-E516 VanDerWaalsContact O-N 3.16Å
517N80Confident89.6Confident61 Ų6178.3 Ų78.333%0.32641%0.409SS..SBendtrans-71.9145.9179.5-69.6-52.6000112.3D514 N515 F519 F523D514-N517 WeakPolarHBondContact O-CB 3.44Å; D514-N517 PolarHBondContact O-N 2.85Å; D514-N517 PolarHBondContact O-ND2 3.16Å; N515-N517 VanDerWaalsContact C-N 3.27Å; N517-F519 HydrophobicContact CB-CD1 4.49Å; N517-F519 HydrophobicContact CB-CE1 4.12Å; N517-F519 HydrophobicContact CB-CZ 4.37Å; N517-F519 WeakPolarHBondContact O-CD2 3.38Å; N517-F519 WeakPolarHBondContact O-CE2 3.32Å; N517-F519 PolarHBondContact O-N 3.18Å; N517-F523 HydrophobicContact CB-CD2 4.4Å; N517-F523 HydrophobicContact CB-CE1 4.5Å; N517-F523 HydrophobicContact CB-CE2 3.98Å; N517-F523 HydrophobicContact CB-CZ 4.04Å
518V84Confident89.8Confident113 Ų11374.3 Ų74.369%0.68538%0.383SS*.  trans-78.1108.6164.3-1780000107.9D520 F523V518-D520 HydrophobicContact CG1-CB 4.24Å; V518-D520 PolarHBondContact O-N 3.38Å; V518-F523 WeakPolarHBondContact O-CB 3.4Å
519F90.5Very high89.9Confident41 Ų4175 Ų7518%0.1838%0.384CS..  trans-7856.2-179.5-57.8-69.2000112.8R499 L503 V513 D514 N517 F523 L524R499-F519 PolarHBondContact NE-O 3.29Å; L503-F519 HydrophobicContact CD1-CB 4.22Å; L503-F519 HydrophobicContact CD1-CD1 4.32Å; L503-F519 HydrophobicContact CD1-CD2 3.93Å; L503-F519 HydrophobicContact CD1-CE2 4.38Å; L503-F519 HydrophobicContact CD1-CG 3.9Å; L503-F519 HydrophobicContact CD2-CD1 3.75Å; L503-F519 HydrophobicContact CD2-CE1 3.85Å; L503-F519 HydrophobicContact CD2-CG 4.18Å; L503-F519 HydrophobicContact CD2-CZ 4.37Å; V513-F519 HydrophobicContact CB-CE1 4.22Å; V513-F519 HydrophobicContact CG1-CE1 3.61Å; V513-F519 HydrophobicContact CG1-CZ 4.38Å; D514-F519 WeakPolarHBondContact O-CZ 3.27Å; N517-F519 HydrophobicContact CB-CD1 4.49Å; N517-F519 HydrophobicContact CB-CE1 4.12Å; N517-F519 HydrophobicContact CB-CZ 4.37Å; N517-F519 WeakPolarHBondContact O-CD2 3.38Å; N517-F519 WeakPolarHBondContact O-CE2 3.32Å; N517-F519 PolarHBondContact O-N 3.18Å; F519-F523 AromaticContact CD1-CD1 3.89Å; F519-F523 HydrophobicContact CD1-CD1 3.89Å; F519-F523 AromaticContact CD1-CE1 3.65Å; F519-F523 HydrophobicContact CD1-CE1 3.65Å; F519-F523 AromaticContact CE1-CE1 3.92Å; F519-F523 HydrophobicContact CE1-CE1 3.92Å; F519-F523 HydrophobicContact CE1-CZ 4.49Å; F519-L524 HydrophobicContact CB-CD1 4.48Å; F519-L524 HydrophobicContact CD1-CD2 4.47Å; F519-L524 WeakPolarHBondContact O-CD1 3.3Å
520D93.3Very high90.1Very high51 Ų5181.5 Ų81.527%0.27341%0.414SS..  trans-80.4172.5174.272.927.5000112.1V518 S522 F523 L524V518-D520 HydrophobicContact CG1-CB 4.24Å; V518-D520 PolarHBondContact O-N 3.38Å; D520-S522 PolarHBondContact O-N 3.12Å; D520-S522 WeakPolarHBondContact OD1-CA 3.48Å; D520-S522 WeakPolarHBondContact OD1-CB 3.33Å; D520-S522 PolarHBondContact OD1-N 3.22Å; D520-S522 PolarHBondContact OD1-OG 3.08Å; D520-S522 PolarHBondContact OD2-OG 2.93Å; D520-F523 PolarHBondContact O-N 3.46Å; D520-F523 PolarHBondContact OD1-N 3.44Å; D520-L524 WeakPolarHBondContact O-CB 3.36Å; D520-L524 WeakPolarHBondContact O-CG 3.39Å; D520-L524 PolarHBondContact O-N 2.88Å
521S93.7Very high90.2Very high20 Ų2076.8 Ų76.814%0.1439%0.387CS..Hα-helixtrans-59-30.7178.8480000113.9K525 E549S521-K525 WeakPolarHBondContact O-CB 3.4Å; S521-K525 PolarHBondContact O-N 2.89Å; S521-K525 VanDerWaalsContact O-N 3.09Å; S521-E549 VanDerWaalsContact CB-OE2 3.24Å; S521-E549 WeakPolarHBondContact CB-OE2 3.4Å; S521-E549 PolarHBondContact N-OE2 2.96Å; S521-E549 PolarHBondContact OG-OE2 2.9Å
522S94.3Very high90.1Very high76 Ų7676.3 Ų76.353%0.53139%0.385SS..Hα-helixtrans-73-46.3179.376.90000111.3D520 S526D520-S522 PolarHBondContact O-N 3.12Å; D520-S522 WeakPolarHBondContact OD1-CA 3.48Å; D520-S522 WeakPolarHBondContact OD1-CB 3.33Å; D520-S522 PolarHBondContact OD1-N 3.22Å; D520-S522 PolarHBondContact OD1-OG 3.08Å; D520-S522 PolarHBondContact OD2-OG 2.93Å; S522-S526 WeakPolarHBondContact O-CB 3.49Å; S522-S526 PolarHBondContact O-N 2.75Å
523F95.1Very high90.1Very high52 Ų5270.7 Ų70.723%0.22837%0.373CS..Hα-helixtrans-61.5-52.7176.3176-91000110.8V513 N517 V518 F519 D520 K525 S526 F527V513-F523 HydrophobicContact CG1-CE1 3.7Å; V513-F523 HydrophobicContact CG1-CZ 3.4Å; V513-F523 VanDerWaalsContact CG1-CZ 3.4Å; N517-F523 HydrophobicContact CB-CD2 4.4Å; N517-F523 HydrophobicContact CB-CE1 4.5Å; N517-F523 HydrophobicContact CB-CE2 3.98Å; N517-F523 HydrophobicContact CB-CZ 4.04Å; V518-F523 WeakPolarHBondContact O-CB 3.4Å; F519-F523 AromaticContact CD1-CD1 3.89Å; F519-F523 HydrophobicContact CD1-CD1 3.89Å; F519-F523 AromaticContact CD1-CE1 3.65Å; F519-F523 HydrophobicContact CD1-CE1 3.65Å; F519-F523 AromaticContact CE1-CE1 3.92Å; F519-F523 HydrophobicContact CE1-CE1 3.92Å; F519-F523 HydrophobicContact CE1-CZ 4.49Å; D520-F523 PolarHBondContact O-N 3.46Å; D520-F523 PolarHBondContact OD1-N 3.44Å; F523-K525 VanDerWaalsContact C-N 3.31Å; F523-K525 PolarHBondContact O-N 3.26Å; F523-S526 PolarHBondContact O-N 3.22Å; F523-F527 HydrophobicContact CE1-CB 4.35Å; F523-F527 WeakPolarHBondContact O-CB 3.38Å; F523-F527 PolarHBondContact O-N 2.9Å
524L96Very high90.2Very high1 Ų172.4 Ų72.41%0.00538%0.384CS..Hα-helixtrans-63.5-37.4-177.2-69.4169.7000111.8R499 L503 F519 D520 F527 I528 L544 L546 I552R499-L524 HydrophobicContact CG-CD1 4.02Å; L503-L524 HydrophobicContact CD2-CD2 4.31Å; F519-L524 HydrophobicContact CB-CD1 4.48Å; F519-L524 HydrophobicContact CD1-CD2 4.47Å; F519-L524 WeakPolarHBondContact O-CD1 3.3Å; D520-L524 WeakPolarHBondContact O-CB 3.36Å; D520-L524 WeakPolarHBondContact O-CG 3.39Å; D520-L524 PolarHBondContact O-N 2.88Å; L524-F527 PolarHBondContact O-N 2.84Å; L524-I528 WeakPolarHBondContact O-CB 3.34Å; L524-I528 WeakPolarHBondContact O-CD1 3.1Å; L524-I528 VanDerWaalsContact O-CG1 3.22Å; L524-I528 WeakPolarHBondContact O-CG1 3.46Å; L524-I528 PolarHBondContact O-N 3.15Å; L524-L544 HydrophobicContact CB-CD2 4.31Å; L524-L544 HydrophobicContact CD1-CD2 4.26Å; L524-L546 HydrophobicContact CD1-CD1 4.35Å; L524-L546 HydrophobicContact CD1-CD2 3.51Å; L524-I552 HydrophobicContact CB-CD1 3.84Å
525K95.7Very high90.6Very high81 Ų8166.8 Ų66.835%0.35235%0.353SS..Hα-helixtrans-62.6-48.4174.2-175.2-172.3-179.8-176.10111.3S521 F523 F527 I528 Q529 I552 V564 H566S521-K525 WeakPolarHBondContact O-CB 3.4Å; S521-K525 PolarHBondContact O-N 2.89Å; S521-K525 VanDerWaalsContact O-N 3.09Å; F523-K525 VanDerWaalsContact C-N 3.31Å; F523-K525 PolarHBondContact O-N 3.26Å; K525-F527 VanDerWaalsContact C-N 3.33Å; K525-F527 PolarHBondContact O-N 2.75Å; K525-I528 PolarHBondContact O-N 2.92Å; K525-Q529 WeakPolarHBondContact O-CB 3.3Å; K525-Q529 PolarHBondContact O-N 2.68Å; K525-I552 HydrophobicContact CB-CD1 3.91Å; K525-V564 VanDerWaalsContact CE-O 3.31Å; K525-V564 WeakPolarHBondContact CE-O 3.36Å; K525-V564 HydrophobicContact CG-CG1 3.93Å; K525-H566 HydrophobicContact CD-CB 4.06Å
526S94.5Very high91.2Very high78 Ų7859.7 Ų59.755%0.54532%0.315SS..Hα-helixtrans-62-43.3179-170.10000111.5S522 F523 Q529 Q530S522-S526 WeakPolarHBondContact O-CB 3.49Å; S522-S526 PolarHBondContact O-N 2.75Å; F523-S526 PolarHBondContact O-N 3.22Å; S526-Q529 PolarHBondContact O-N 3.11Å; S526-Q530 WeakPolarHBondContact O-CB 3.39Å; S526-Q530 PolarHBondContact O-N 2.87Å
527F95Very high91.8Very high15 Ų1551.7 Ų51.77%0.06628%0.284CS..Hα-helixtrans-61-49.2177.9-179.6-93.4000111.9L506 L511 V513 F523 L524 K525 Q529 Q530 H531L506-F527 HydrophobicContact CD1-CE1 3.85Å; L506-F527 HydrophobicContact CD1-CZ 4.17Å; L506-F527 HydrophobicContact CD2-CE1 3.83Å; L506-F527 HydrophobicContact CD2-CZ 4.46Å; L511-F527 HydrophobicContact CB-CZ 4.26Å; L511-F527 HydrophobicContact CD1-CE1 4.38Å; L511-F527 HydrophobicContact CD1-CZ 4.4Å; V513-F527 HydrophobicContact CG2-CD2 4.1Å; V513-F527 HydrophobicContact CG2-CE1 4.12Å; V513-F527 HydrophobicContact CG2-CE2 3.46Å; V513-F527 VanDerWaalsContact CG2-CE2 3.46Å; V513-F527 HydrophobicContact CG2-CZ 3.46Å; V513-F527 VanDerWaalsContact CG2-CZ 3.46Å; F523-F527 HydrophobicContact CE1-CB 4.35Å; F523-F527 WeakPolarHBondContact O-CB 3.38Å; F523-F527 PolarHBondContact O-N 2.9Å; L524-F527 PolarHBondContact O-N 2.84Å; K525-F527 VanDerWaalsContact C-N 3.33Å; K525-F527 PolarHBondContact O-N 2.75Å; F527-Q529 VanDerWaalsContact C-N 3.31Å; F527-Q529 PolarHBondContact O-N 3.48Å; F527-Q530 PolarHBondContact O-N 3.08Å; F527-H531 AromaticContact CD2-CD2 3.6Å; F527-H531 AromaticContact CE2-CD2 3.3Å; F527-H531 WeakPolarHBondContact CE2-CD2 3.5Å; F527-H531 AromaticContact CE2-NE2 3.63Å; F527-H531 AromaticContact CZ-CD2 3.62Å; F527-H531 PolarHBondContact O-CD2 3.17Å; F527-H531 PolarHBondContact O-N 3.24Å
528I95.2Very high92.2Very high0 Ų054.1 Ų54.10%030%0.297CS..Hα-helixtrans-63.5-39.6177.7-66.5163.6000110.6F502 L524 K525 Q530 H531 C532 V535 L542 L544 I552 A554 V564F502-I528 HydrophobicContact CE1-CD1 4.11Å; F502-I528 HydrophobicContact CE1-CG1 4.1Å; F502-I528 HydrophobicContact CZ-CD1 4.08Å; F502-I528 HydrophobicContact CZ-CG1 3.87Å; L524-I528 WeakPolarHBondContact O-CB 3.34Å; L524-I528 WeakPolarHBondContact O-CD1 3.1Å; L524-I528 VanDerWaalsContact O-CG1 3.22Å; L524-I528 WeakPolarHBondContact O-CG1 3.46Å; L524-I528 PolarHBondContact O-N 3.15Å; K525-I528 PolarHBondContact O-N 2.92Å; I528-Q530 VanDerWaalsContact C-N 3.32Å; I528-Q530 PolarHBondContact O-N 3.31Å; I528-H531 CarbonylContact O-C 3.53Å; I528-H531 PolarHBondContact O-N 3.38Å; I528-C532 WeakPolarHBondContact O-CA 3.26Å; I528-C532 WeakPolarHBondContact O-CB 3.41Å; I528-C532 PolarHBondContact O-N 2.74Å; I528-V535 HydrophobicContact CG2-CG1 4.34Å; I528-L542 HydrophobicContact CD1-CD2 4.14Å; I528-L544 HydrophobicContact CD1-CD2 3.76Å; I528-I552 HydrophobicContact CD1-CG2 3.98Å; I528-A554 HydrophobicContact CG2-CB 3.59Å; I528-V564 HydrophobicContact CB-CG1 4.36Å; I528-V564 HydrophobicContact CG2-CG1 4.1Å; I528-V564 HydrophobicContact CG2-CG2 3.98Å
529Q93.4Very high92.6Very high85 Ų8549.2 Ų49.240%0.39727%0.267SS..Hα-helixtrans-61.9-39.5176.6-173.167.861.900112.2K525 S526 F527 V564K525-Q529 WeakPolarHBondContact O-CB 3.3Å; K525-Q529 PolarHBondContact O-N 2.68Å; S526-Q529 PolarHBondContact O-N 3.11Å; F527-Q529 VanDerWaalsContact C-N 3.31Å; F527-Q529 PolarHBondContact O-N 3.48Å; Q529-V564 HydrophobicContact CB-CG2 4.27Å
530Q93Very high92.7Very high144 Ų14453.7 Ų53.767%0.67329%0.287SS*.Hα-helixtrans-71.9-36178.5-179.1178.3-6.600112.8S526 F527 I528S526-Q530 WeakPolarHBondContact O-CB 3.39Å; S526-Q530 PolarHBondContact O-N 2.87Å; F527-Q530 PolarHBondContact O-N 3.08Å; I528-Q530 VanDerWaalsContact C-N 3.32Å; I528-Q530 PolarHBondContact O-N 3.31Å
531H93.5Very high92.8Very high53 Ų5351.3 Ų51.325%0.24527%0.274CS..THydrogen-bonded Turntrans-108.523.4-175.6-63.9-72.6000113.1L511 F527 I528 D533 T534 V535L511-H531 HydrophobicContact CD1-CB 4.19Å; L511-H531 HydrophobicContact CD2-CB 4.11Å; F527-H531 AromaticContact CD2-CD2 3.6Å; F527-H531 AromaticContact CE2-CD2 3.3Å; F527-H531 WeakPolarHBondContact CE2-CD2 3.5Å; F527-H531 AromaticContact CE2-NE2 3.63Å; F527-H531 AromaticContact CZ-CD2 3.62Å; F527-H531 PolarHBondContact O-CD2 3.17Å; F527-H531 PolarHBondContact O-N 3.24Å; I528-H531 CarbonylContact O-C 3.53Å; I528-H531 PolarHBondContact O-N 3.38Å; H531-D533 VanDerWaalsContact C-N 3.34Å; H531-D533 PolarHBondContact O-N 3.38Å; H531-T534 PolarHBondContact O-N 2.92Å; H531-T534 VanDerWaalsContact O-N 3.13Å; H531-V535 HydrophobicContact CB-CG2 4.08Å; H531-V535 WeakPolarHBondContact O-CG2 3.5Å; H531-V535 PolarHBondContact O-N 3.28Å
532C90.4Very high92.9Very high4 Ų450.4 Ų50.43%0.02727%0.267CS..Hα-helixtrans-60-41.4-164.4-158.30000113I528 T534 V535 L536 P562I528-C532 WeakPolarHBondContact O-CA 3.26Å; I528-C532 WeakPolarHBondContact O-CB 3.41Å; I528-C532 PolarHBondContact O-N 2.74Å; C532-T534 VanDerWaalsContact C-N 3.34Å; C532-T534 PolarHBondContact O-N 3.27Å; C532-V535 PolarHBondContact O-N 3.38Å; C532-L536 VanDerWaalsContact O-CB 3.31Å; C532-L536 WeakPolarHBondContact O-CB 3.49Å; C532-L536 WeakPolarHBondContact O-CG 3.29Å; C532-L536 PolarHBondContact O-N 3.02Å; C532-L536 WeakPolarHBondContact SG-CD1 3.39Å; C532-P562 HydrophobicContact CB-CB 3.58Å; C532-P562 HydrophobicContact CB-CG 4.27Å; C532-P562 WeakPolarHBondContact SG-CB 3.39Å
533D89.1Confident93.1Very high117 Ų11746.8 Ų46.863%0.62624%0.242SC*.Hα-helixtrans-62.3-41.6179.8-64.8-26.6000112.3H531 G537H531-D533 VanDerWaalsContact C-N 3.34Å; H531-D533 PolarHBondContact O-N 3.38Å; D533-G537 WeakPolarHBondContact O-CA 3.49Å; D533-G537 PolarHBondContact O-N 2.96Å
534T91.1Very high93.2Very high68 Ų6844.3 Ų44.342%0.41723%0.231SC..Hα-helixtrans-72.2-42177.9-50.10000111.6L511 H531 C532L511-T534 HydrophobicContact CD1-CG2 4.05Å; L511-T534 HydrophobicContact CD2-CG2 3.95Å; L511-T534 HydrophobicContact CG-CG2 3.93Å; H531-T534 PolarHBondContact O-N 2.92Å; H531-T534 VanDerWaalsContact O-N 3.13Å; C532-T534 VanDerWaalsContact C-N 3.34Å; C532-T534 PolarHBondContact O-N 3.27Å
535V91.9Very high93.3Very high1 Ų145.6 Ų45.61%0.00624%0.239CC..Hα-helixtrans-68-43.7-179.2170.90000111.4F502 L511 I528 H531 C532 L542F502-V535 HydrophobicContact CE2-CG1 4.08Å; F502-V535 HydrophobicContact CZ-CG1 4.15Å; L511-V535 HydrophobicContact CD1-CG2 3.47Å; L511-V535 VanDerWaalsContact CD1-CG2 3.47Å; I528-V535 HydrophobicContact CG2-CG1 4.34Å; H531-V535 HydrophobicContact CB-CG2 4.08Å; H531-V535 WeakPolarHBondContact O-CG2 3.5Å; H531-V535 PolarHBondContact O-N 3.28Å; C532-V535 PolarHBondContact O-N 3.38Å; V535-L542 HydrophobicContact CG1-CD2 3.42Å; V535-L542 VanDerWaalsContact CG1-CD2 3.42Å
536L90.9Very high93.3Very high2 Ų241.8 Ų41.81%0.0122%0.222CC..Hα-helixtrans-78.6-47.9-180-68.8-178.8000111.6C532 N538 L539 L542 A554 K556C532-L536 VanDerWaalsContact O-CB 3.31Å; C532-L536 WeakPolarHBondContact O-CB 3.49Å; C532-L536 WeakPolarHBondContact O-CG 3.29Å; C532-L536 PolarHBondContact O-N 3.02Å; C532-L536 WeakPolarHBondContact SG-CD1 3.39Å; L536-N538 PolarHBondContact O-N 3.42Å; L536-L539 HydrophobicContact CD2-CB 4.3Å; L536-L539 WeakPolarHBondContact O-CB 3.38Å; L536-L539 VanDerWaalsContact O-CG 3.29Å; L536-L539 WeakPolarHBondContact O-CG 3.42Å; L536-L539 PolarHBondContact O-N 2.98Å; L536-L542 HydrophobicContact CD2-CB 3.94Å; L536-A554 HydrophobicContact CD2-CB 4.02Å; L536-A554 WeakPolarHBondContact CD2-O 3.37Å; L536-K556 HydrophobicContact CD1-CG 3.79Å
537G87.8Confident93.1Very high23 Ų2343.6 Ų43.624%0.23723%0.226CC..THydrogen-bonded Turntrans51.5-110.3-17100000111.3D533 K556D533-G537 WeakPolarHBondContact O-CA 3.49Å; D533-G537 PolarHBondContact O-N 2.96Å; G537-K556 WeakPolarHBondContact O-CE 3.36Å; G537-K556 PolarHBondContact O-NZ 3.41Å
538N88.8Confident93Very high112 Ų11253.3 Ų53.360%0.59926%0.262SS*.THydrogen-bonded Turntrans-95.3-4177-67.1-18.3000114.5K490 L536 K540K490-N538 WeakPolarHBondContact O-CB 3.44Å; K490-N538 PolarHBondContact O-ND2 3.39Å; L536-N538 PolarHBondContact O-N 3.42Å; N538-K540 PolarHBondContact O-N 2.66Å
539L92.6Very high92.9Very high10 Ų1056.2 Ų56.25%0.05228%0.276CS..  trans-62.7133.7177.1-64.7171.3000110.2L492 F495 L536L492-L539 HydrophobicContact CB-CD2 3.72Å; F495-L539 HydrophobicContact CB-CD1 3.88Å; F495-L539 HydrophobicContact CB-CD2 3.84Å; F495-L539 HydrophobicContact CD1-CD1 4.4Å; L536-L539 HydrophobicContact CD2-CB 4.3Å; L536-L539 WeakPolarHBondContact O-CB 3.38Å; L536-L539 VanDerWaalsContact O-CG 3.29Å; L536-L539 WeakPolarHBondContact O-CG 3.42Å; L536-L539 PolarHBondContact O-N 2.98Å
540K91.8Very high93Very high135 Ų13552.3 Ų52.359%0.58726%0.258SS*.SBendtrans-77.7-30.2165.5-69.8-169.6176.9-175.90111.6T493 Y494 N538 S555T493-K540 HydrophobicContact CG2-CB 4.06Å; T493-K540 HydrophobicContact CG2-CD 3.74Å; T493-K540 HydrophobicContact CG2-CG 3.81Å; T493-K540 PolarHBondContact O-N 2.9Å; Y494-K540 HydrophobicContact CE1-CB 4.39Å; N538-K540 PolarHBondContact O-N 2.66Å; K540-S555 WeakPolarHBondContact O-CA 3.48Å; K540-S555 WeakPolarHBondContact O-CB 3.17Å
541L95Very high93.2Very high0 Ų045.8 Ų45.80%023%0.228CC..EExtended strand (participates in β ladder)trans-151.1124.3179.5179.468.8000111.1W471 T493 Y494 F495 L543 A553 A554 M599W471-L541 HydrophobicContact CH2-CD2 4.29Å; T493-L541 PolarHBondContact O-N 3.15Å; Y494-L541 WeakPolarHBondContact CA-O 3.35Å; Y494-L541 HydrophobicContact CD1-CB 3.8Å; Y494-L541 HydrophobicContact CD1-CD2 4.26Å; Y494-L541 HydrophobicContact CE1-CB 4.34Å; F495-L541 PolarHBondContact N-O 3.01Å; L541-L543 HydrophobicContact CD2-CB 4.43Å; L541-L543 HydrophobicContact CG-CB 4.42Å; L541-A553 HydrophobicContact CD1-CB 3.99Å; L541-A554 CarbonylContact C-O 3.6Å; L541-A554 WeakPolarHBondContact CA-O 3.45Å; L541-M599 HydrophobicContact CB-CE 4.27Å; L541-M599 HydrophobicContact CD1-CE 4.27Å; L541-M599 HydrophobicContact CD1-SD 4.01Å; L541-M599 HydrophobicContact CD2-CE 4.14Å; L541-M599 HydrophobicContact CD2-SD 3.8Å; L541-M599 HydrophobicContact CG-CE 4.47Å; L541-M599 HydrophobicContact CG-SD 4.44Å
542L96.9Very high93.4Very high2 Ų243.3 Ų43.31%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-93.1124.9154.7168.968.7000108.1F495 P497 F502 I528 V535 L536 A553 A554F495-L542 HydrophobicContact CB-CD1 4.4Å; F495-L542 HydrophobicContact CD1-CD1 3.71Å; F495-L542 HydrophobicContact CE1-CD1 4.39Å; F495-L542 HydrophobicContact CG-CD1 4.31Å; F495-L542 WeakPolarHBondContact O-CA 3.35Å; P497-L542 HydrophobicContact CG-CD1 3.77Å; F502-L542 HydrophobicContact CD2-CD1 4.31Å; F502-L542 HydrophobicContact CD2-CD2 4.35Å; F502-L542 HydrophobicContact CE2-CD1 4.33Å; F502-L542 HydrophobicContact CE2-CD2 3.66Å; F502-L542 HydrophobicContact CZ-CD2 4.09Å; I528-L542 HydrophobicContact CD1-CD2 4.14Å; V535-L542 HydrophobicContact CG1-CD2 3.42Å; V535-L542 VanDerWaalsContact CG1-CD2 3.42Å; L536-L542 HydrophobicContact CD2-CB 3.94Å; L542-A553 WeakPolarHBondContact O-CA 3.36Å; L542-A554 HydrophobicContact CB-CB 4.28Å; L542-A554 PolarHBondContact N-O 3.23Å; L542-A554 PolarHBondContact O-N 3.49Å
543L97.8Very high93.8Very high0 Ų043.3 Ų43.30%022%0.217CC..EExtended strand (participates in β ladder)trans-11591.4176.1-17473.4000109.6W471 F495 S496 L541 I551 A553 L585 I589W471-L543 HydrophobicContact CH2-CD2 4.33Å; W471-L543 HydrophobicContact CZ2-CD2 4.02Å; F495-L543 PolarHBondContact O-N 3.02Å; S496-L543 CarbonylContact C-O 3.56Å; S496-L543 VanDerWaalsContact CA-O 3.28Å; S496-L543 WeakPolarHBondContact CA-O 3.31Å; L541-L543 HydrophobicContact CD2-CB 4.43Å; L541-L543 HydrophobicContact CG-CB 4.42Å; L543-I551 HydrophobicContact CD1-CD1 4.18Å; L543-A553 HydrophobicContact CD1-CB 4.48Å; L543-L585 HydrophobicContact CD2-CD2 3.81Å; L543-L585 HydrophobicContact CD2-CG 4.01Å; L543-L585 HydrophobicContact CG-CD2 4.37Å; L543-I589 HydrophobicContact CD1-CD1 3.91Å; L543-I589 HydrophobicContact CD2-CD1 3.36Å; L543-I589 HydrophobicContact CG-CD1 4.29Å
544L97.9Very high94.1Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-87.3119-178.8176.160000110.9P497 F502 L524 I528 L546 I551 I552P497-L544 HydrophobicContact CG-CD1 4.35Å; P497-L544 WeakPolarHBondContact O-CA 3.36Å; F502-L544 HydrophobicContact CB-CD1 3.51Å; F502-L544 HydrophobicContact CD1-CD1 4.14Å; F502-L544 HydrophobicContact CD1-CD2 3.84Å; F502-L544 HydrophobicContact CE1-CD2 4.17Å; F502-L544 HydrophobicContact CG-CD1 3.86Å; F502-L544 HydrophobicContact CG-CD2 4.3Å; L524-L544 HydrophobicContact CB-CD2 4.31Å; L524-L544 HydrophobicContact CD1-CD2 4.26Å; I528-L544 HydrophobicContact CD1-CD2 3.76Å; L544-L546 HydrophobicContact CD1-CD2 4.29Å; L544-L546 HydrophobicContact CD2-CD2 4.09Å; L544-L546 HydrophobicContact CG-CD2 3.88Å; L544-L546 HydrophobicContact CG-CG 4.28Å; L544-I551 CarbonylContact O-C 3.54Å; L544-I551 VanDerWaalsContact O-CA 3.26Å; L544-I551 WeakPolarHBondContact O-CA 3.36Å; L544-I552 HydrophobicContact CB-CB 4.24Å; L544-I552 HydrophobicContact CD2-CD1 4.4Å; L544-I552 PolarHBondContact N-O 3.34Å; L544-I552 PolarHBondContact O-N 2.81Å
545T96.9Very high94.2Very high28 Ų2835 Ų3517%0.17217%0.171CC..EExtended strand (participates in β ladder)trans-94.5133.9177.8620000112.1P497 N498 R499 I551 L585P497-T545 PolarHBondContact O-N 3.46Å; P497-T545 PolarHBondContact O-OG1 3.19Å; N498-T545 CarbonylContact C-O 3.5Å; N498-T545 WeakPolarHBondContact CA-O 3.23Å; N498-T545 VanDerWaalsContact CA-OG1 3.26Å; N498-T545 WeakPolarHBondContact CA-OG1 3.37Å; N498-T545 WeakPolarHBondContact CB-OG1 3.49Å; R499-T545 PolarHBondContact N-O 3.18Å; T545-I551 HydrophobicContact CG2-CG2 4.07Å; T545-L585 HydrophobicContact CG2-CD2 3.55Å
546L96.2Very high93.5Very high0 Ų038.3 Ų38.30%019%0.185CC..  trans-129.230.6-171.7-56.7177.6000112.6R499 L524 L544 R548 E549 G550 I552R499-L546 HydrophobicContact CB-CD2 3.83Å; R499-L546 HydrophobicContact CG-CD2 4.03Å; R499-L546 PolarHBondContact NH2-O 3.44Å; L524-L546 HydrophobicContact CD1-CD1 4.35Å; L524-L546 HydrophobicContact CD1-CD2 3.51Å; L544-L546 HydrophobicContact CD1-CD2 4.29Å; L544-L546 HydrophobicContact CD2-CD2 4.09Å; L544-L546 HydrophobicContact CG-CD2 3.88Å; L544-L546 HydrophobicContact CG-CG 4.28Å; L546-R548 PolarHBondContact O-N 3.13Å; L546-E549 HydrophobicContact CB-CB 3.85Å; L546-E549 WeakPolarHBondContact O-CB 3.33Å; L546-E549 PolarHBondContact O-N 3.35Å; L546-G550 WeakPolarHBondContact CA-O 3.38Å; L546-G550 WeakPolarHBondContact CB-O 3.39Å; L546-G550 PolarHBondContact N-O 3.14Å; L546-I552 HydrophobicContact CD1-CD1 3.64Å; L546-I552 HydrophobicContact CD1-CG1 3.86Å
547D90.7Very high92.5Very high117 Ų11739.2 Ų39.263%0.62619%0.192SC*.G310 helixtrans54-121.9179.5-45.5-56.2000111.9R499 E549 G550R499-D547 IonicContact NH1-OD2 3.9Å; R499-D547 PolarHBondContact NH1-OD2 3.08Å; R499-D547 VanDerWaalsContact NH1-OD2 3.14Å; D547-E549 PolarHBondContact O-N 3.04Å; D547-G550 PolarHBondContact O-N 3.24Å
548R91.3Very high91.5Very high219 Ų21947.4 Ų47.483%0.82622%0.224SC*.G310 helixtrans-65-19.7179.4-61.6-177.9-178.1-1770.3113.6L546 A569L546-R548 PolarHBondContact O-N 3.13Å; R548-A569 WeakPolarHBondContact O-CB 3.42Å
549E94.2Very high90.5Very high60 Ų6048.3 Ų48.328%0.2823%0.229SC..G310 helixtrans-79-11.1174.8-59.2-171.2-105.500112.1R499 S521 L546 D547 H566R499-E549 IonicContact CZ-OE1 3.64Å; R499-E549 IonicContact NH2-OE1 2.69Å; R499-E549 PolarHBondContact NH2-OE1 2.83Å; S521-E549 VanDerWaalsContact CB-OE2 3.24Å; S521-E549 WeakPolarHBondContact CB-OE2 3.4Å; S521-E549 PolarHBondContact N-OE2 2.96Å; S521-E549 PolarHBondContact OG-OE2 2.9Å; L546-E549 HydrophobicContact CB-CB 3.85Å; L546-E549 WeakPolarHBondContact O-CB 3.33Å; L546-E549 PolarHBondContact O-N 3.35Å; D547-E549 PolarHBondContact O-N 3.04Å; E549-H566 PolarHBondContact O-CE1 3.14Å; E549-H566 PolarHBondContact O-NE2 3.1Å
550G95.6Very high89.3Confident3 Ų353.9 Ų53.93%0.03126%0.255CS..  trans94-136.9177.600000112.6L546 D547 Y567L546-G550 WeakPolarHBondContact CA-O 3.38Å; L546-G550 WeakPolarHBondContact CB-O 3.39Å; L546-G550 PolarHBondContact N-O 3.14Å; D547-G550 PolarHBondContact O-N 3.24Å; G550-Y567 CarbonylContact C-O 3.54Å; G550-Y567 WeakPolarHBondContact CA-O 3.27Å
551I97.4Very high88.3Confident7 Ų752.7 Ų52.74%0.03625%0.254CS..EExtended strand (participates in β ladder)trans-136.6144.2-172.661.8179.5000111.4L543 L544 T545 H566 Y567 L585 I603 L607L543-I551 HydrophobicContact CD1-CD1 4.18Å; L544-I551 CarbonylContact O-C 3.54Å; L544-I551 VanDerWaalsContact O-CA 3.26Å; L544-I551 WeakPolarHBondContact O-CA 3.36Å; T545-I551 HydrophobicContact CG2-CG2 4.07Å; I551-H566 WeakPolarHBondContact O-CA 3.15Å; I551-H566 PolarHBondContact O-CD2 3.32Å; I551-H566 VanDerWaalsContact O-CD2 3.32Å; I551-Y567 HydrophobicContact CD1-CD2 4.47Å; I551-Y567 HydrophobicContact CD1-CG 4.45Å; I551-Y567 HydrophobicContact CG1-CD2 4.22Å; I551-Y567 HydrophobicContact CG1-CG 4.26Å; I551-Y567 PolarHBondContact N-O 3.08Å; I551-Y567 PolarHBondContact O-N 3.41Å; I551-L585 HydrophobicContact CD1-CD1 4.28Å; I551-L585 HydrophobicContact CG2-CD2 3.89Å; I551-I603 HydrophobicContact CD1-CG2 3.31Å; I551-I603 HydrophobicContact CG1-CG2 4.37Å; I551-L607 HydrophobicContact CD1-CD1 4.1Å; I551-L607 HydrophobicContact CD1-CD2 3.75Å; I551-L607 HydrophobicContact CD1-CG 3.92Å; I551-L607 HydrophobicContact CG1-CD2 4.21Å; I551-L607 HydrophobicContact CG2-CD2 4.48Å
552I98Very high87.2Confident1 Ų154.8 Ų54.81%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-108.1123.1167.8-62.9172.6000107.7L524 K525 I528 L544 L546 V564 A565 H566L524-I552 HydrophobicContact CB-CD1 3.84Å; K525-I552 HydrophobicContact CB-CD1 3.91Å; I528-I552 HydrophobicContact CD1-CG2 3.98Å; L544-I552 HydrophobicContact CB-CB 4.24Å; L544-I552 HydrophobicContact CD2-CD1 4.4Å; L544-I552 PolarHBondContact N-O 3.34Å; L544-I552 PolarHBondContact O-N 2.81Å; L546-I552 HydrophobicContact CD1-CD1 3.64Å; L546-I552 HydrophobicContact CD1-CG1 3.86Å; I552-V564 HydrophobicContact CG2-CG1 3.64Å; I552-A565 CarbonylContact C-O 3.58Å; I552-A565 WeakPolarHBondContact CA-O 3.42Å; I552-H566 HydrophobicContact CG1-CB 4.39Å
553A97.3Very high86.7Confident4 Ų460 Ų603%0.03329%0.292CS..EExtended strand (participates in β ladder)trans-106.2122.9172.600000108.9L541 L542 L543 V564 A565 Y567 I603L541-A553 HydrophobicContact CD1-CB 3.99Å; L542-A553 WeakPolarHBondContact O-CA 3.36Å; L543-A553 HydrophobicContact CD1-CB 4.48Å; A553-V564 WeakPolarHBondContact O-CA 3.23Å; A553-A565 PolarHBondContact N-O 2.93Å; A553-A565 PolarHBondContact O-N 2.93Å; A553-Y567 HydrophobicContact CB-CE2 4.1Å; A553-I603 HydrophobicContact CB-CD1 3.37Å; A553-I603 HydrophobicContact CB-CG1 4.44Å
554A96.1Very high86.5Confident0 Ų060.7 Ų60.70%030%0.296CS..EExtended strand (participates in β ladder)trans-116.2127.9171.200000109.7I528 L536 L541 L542 Q563 V564I528-A554 HydrophobicContact CG2-CB 3.59Å; L536-A554 HydrophobicContact CD2-CB 4.02Å; L536-A554 WeakPolarHBondContact CD2-O 3.37Å; L541-A554 CarbonylContact C-O 3.6Å; L541-A554 WeakPolarHBondContact CA-O 3.45Å; L542-A554 HydrophobicContact CB-CB 4.28Å; L542-A554 PolarHBondContact N-O 3.23Å; L542-A554 PolarHBondContact O-N 3.49Å; A554-Q563 VanDerWaalsContact CA-O 3.32Å; A554-Q563 WeakPolarHBondContact CA-O 3.22Å; A554-V564 HydrophobicContact CB-CG1 4.35Å; A554-V564 HydrophobicContact CB-CG2 4.01Å
555S92.5Very high86.4Confident12 Ų1262.3 Ų62.38%0.08431%0.309CS..EExtended strand (participates in β ladder)trans-145.3169.4179.958.70000110.4K540 Q563K540-S555 WeakPolarHBondContact O-CA 3.48Å; K540-S555 WeakPolarHBondContact O-CB 3.17Å; S555-Q563 PolarHBondContact N-O 2.76Å; S555-Q563 PolarHBondContact O-N 3.16Å
556K78.7Confident86.4Confident69 Ų6963.8 Ų63.830%0.331%0.314SS..EExtended strand (participates in β ladder)trans-96.2140.2168.4-55.7-170.8-170.3177.50110.1L536 G537 E560L536-K556 HydrophobicContact CD1-CG 3.79Å; G537-K556 WeakPolarHBondContact O-CE 3.36Å; G537-K556 PolarHBondContact O-NZ 3.41Å; K556-E560 WeakPolarHBondContact CD-OE2 3.43Å; K556-E560 IonicContact NZ-OE2 3.23Å
557S69.9Low86.4Confident21 Ų2165.2 Ų65.215%0.14732%0.32CS..  trans-71.8176.2172.776.80000111D559 E560 L561S557-D559 PolarHBondContact O-N 3.44Å; S557-D559 PolarHBondContact OG-N 3.16Å; S557-D559 VanDerWaalsContact OG-N 3.17Å; S557-E560 PolarHBondContact O-N 2.95Å; S557-L561 WeakPolarHBondContact CB-O 3.41Å; S557-L561 PolarHBondContact N-O 3.44Å; S557-L561 WeakPolarHBondContact OG-CB 3.41Å; S557-L561 PolarHBondContact OG-N 3.1Å; S557-L561 VanDerWaalsContact OG-N 3.1Å; S557-L561 PolarHBondContact OG-O 3.35Å
558Q65.2Low86.7Confident195 Ų19568 Ų6891%0.91133%0.326SS*.THydrogen-bonded Turntrans-58.9-27.8171.2-71.7-176.5-500112.9E560Q558-E560 VanDerWaalsContact C-N 3.26Å; Q558-E560 PolarHBondContact O-N 2.93Å
559D69.7Low86.8Confident132 Ų13259 Ų5971%0.70630%0.299SS*.THydrogen-bonded Turntrans-9016.9176.3-55.2-49.3000112.4S557 L561S557-D559 PolarHBondContact O-N 3.44Å; S557-D559 PolarHBondContact OG-N 3.16Å; S557-D559 VanDerWaalsContact OG-N 3.17Å; D559-L561 HydrophobicContact CB-CD1 4.42Å; D559-L561 HydrophobicContact CB-CG 4.35Å; D559-L561 PolarHBondContact O-N 3.44Å
560E66.7Low86.6Confident127 Ų12757.5 Ų57.559%0.59330%0.295SS*.SBendtrans59.214.3-175.3-64.3-73.4154.600114.3K556 S557 Q558K556-E560 WeakPolarHBondContact CD-OE2 3.43Å; K556-E560 IonicContact NZ-OE2 3.23Å; S557-E560 PolarHBondContact O-N 2.95Å; Q558-E560 VanDerWaalsContact C-N 3.26Å; Q558-E560 PolarHBondContact O-N 2.93Å
561L69.9Low86.3Confident110 Ų11066.9 Ų66.958%0.57634%0.335SS*.  trans-80.3136.8177.7-67.9172.9000111S557 D559 Q563S557-L561 WeakPolarHBondContact CB-O 3.41Å; S557-L561 PolarHBondContact N-O 3.44Å; S557-L561 WeakPolarHBondContact OG-CB 3.41Å; S557-L561 PolarHBondContact OG-N 3.1Å; S557-L561 VanDerWaalsContact OG-N 3.1Å; S557-L561 PolarHBondContact OG-O 3.35Å; D559-L561 HydrophobicContact CB-CD1 4.42Å; D559-L561 HydrophobicContact CB-CG 4.35Å; D559-L561 PolarHBondContact O-N 3.44Å; L561-Q563 PolarHBondContact O-N 3.45Å
562P72Confident85.7Confident44 Ų4468.3 Ų68.329%0.28634%0.343SS..EExtended strand (participates in β ladder)trans-66.4127.518025.2-33.3000112C532C532-P562 HydrophobicContact CB-CB 3.58Å; C532-P562 HydrophobicContact CB-CG 4.27Å; C532-P562 WeakPolarHBondContact SG-CB 3.39Å
563Q86.7Confident84.9Confident110 Ų11072.5 Ų72.551%0.51439%0.387SS..EExtended strand (participates in β ladder)trans-115117.1172.1-67.4-172.9-6.700109.5A554 S555 L561A554-Q563 VanDerWaalsContact CA-O 3.32Å; A554-Q563 WeakPolarHBondContact CA-O 3.22Å; S555-Q563 PolarHBondContact N-O 2.76Å; S555-Q563 PolarHBondContact O-N 3.16Å; L561-Q563 PolarHBondContact O-N 3.45Å
564V93.6Very high84.3Confident15 Ų1576 Ų769%0.09141%0.412CS..EExtended strand (participates in β ladder)trans-120.3113.3176.2-169.50000109.8K525 I528 Q529 I552 A553 A554K525-V564 VanDerWaalsContact CE-O 3.31Å; K525-V564 WeakPolarHBondContact CE-O 3.36Å; K525-V564 HydrophobicContact CG-CG1 3.93Å; I528-V564 HydrophobicContact CB-CG1 4.36Å; I528-V564 HydrophobicContact CG2-CG1 4.1Å; I528-V564 HydrophobicContact CG2-CG2 3.98Å; Q529-V564 HydrophobicContact CB-CG2 4.27Å; I552-V564 HydrophobicContact CG2-CG1 3.64Å; A553-V564 WeakPolarHBondContact O-CA 3.23Å; A554-V564 HydrophobicContact CB-CG1 4.35Å; A554-V564 HydrophobicContact CB-CG2 4.01Å
565A95Very high83.8Confident34 Ų3478.9 Ų78.928%0.28143%0.429SS..EExtended strand (participates in β ladder)trans-118.7141.8-178.300000111I552 A553 Y567I552-A565 CarbonylContact C-O 3.58Å; I552-A565 WeakPolarHBondContact CA-O 3.42Å; A553-A565 PolarHBondContact N-O 2.93Å; A553-A565 PolarHBondContact O-N 2.93Å; A565-Y567 HydrophobicContact CB-CD2 4.33Å; A565-Y567 HydrophobicContact CB-CE2 3.56Å
566H97.2Very high83.4Confident60 Ų6082.2 Ų82.228%0.27845%0.445SS..EExtended strand (participates in β ladder)trans-109.6125.4174.2173.2-131.8000108.9K525 E549 I551 I552K525-H566 HydrophobicContact CD-CB 4.06Å; E549-H566 PolarHBondContact O-CE1 3.14Å; E549-H566 PolarHBondContact O-NE2 3.1Å; I551-H566 WeakPolarHBondContact O-CA 3.15Å; I551-H566 PolarHBondContact O-CD2 3.32Å; I551-H566 VanDerWaalsContact O-CD2 3.32Å; I552-H566 HydrophobicContact CG1-CB 4.39Å
567Y97.3Very high83.5Confident30 Ų3079.6 Ų79.612%0.11844%0.435CS..EExtended strand (participates in β ladder)trans-113.3127177.8-60-103000109G550 I551 A553 A565 D600 I603 L607G550-Y567 CarbonylContact C-O 3.54Å; G550-Y567 WeakPolarHBondContact CA-O 3.27Å; I551-Y567 HydrophobicContact CD1-CD2 4.47Å; I551-Y567 HydrophobicContact CD1-CG 4.45Å; I551-Y567 HydrophobicContact CG1-CD2 4.22Å; I551-Y567 HydrophobicContact CG1-CG 4.26Å; I551-Y567 PolarHBondContact N-O 3.08Å; I551-Y567 PolarHBondContact O-N 3.41Å; A553-Y567 HydrophobicContact CB-CE2 4.1Å; A565-Y567 HydrophobicContact CB-CD2 4.33Å; A565-Y567 HydrophobicContact CB-CE2 3.56Å; Y567-D600 WeakPolarHBondContact CE1-OD1 3.47Å; Y567-D600 PolarHBondContact OH-OD1 3.1Å; Y567-I603 HydrophobicContact CD1-CG2 3.77Å; Y567-I603 HydrophobicContact CD2-CD1 4.43Å; Y567-I603 HydrophobicContact CD2-CG2 3.72Å; Y567-I603 HydrophobicContact CE1-CB 4.33Å; Y567-I603 HydrophobicContact CE1-CG2 3.86Å; Y567-I603 HydrophobicContact CE2-CB 4.41Å; Y567-I603 HydrophobicContact CE2-CD1 3.62Å; Y567-I603 HydrophobicContact CE2-CG2 3.82Å; Y567-I603 HydrophobicContact CG-CG2 3.71Å; Y567-L607 HydrophobicContact CD1-CD1 4.41Å; Y567-L607 HydrophobicContact CG-CD1 4.43Å
568K96Very high84.1Confident174 Ų17484.5 Ų84.576%0.75746%0.455SS*.PPolyproline II helixtrans-67.9145.1179.5-63.9-175.6179.6-178.70110.6
569A93.3Very high85.1Confident31 Ų3177.1 Ų77.126%0.25643%0.425SS..PPolyproline II helixtrans-56.5146.1171.300000111R548 K571R548-A569 WeakPolarHBondContact O-CB 3.42Å; A569-K571 PolarHBondContact O-N 2.85Å
570P90.7Very high86.1Confident29 Ų2971.4 Ų71.419%0.18840%0.397CS..PPolyproline II helixtrans-62.7135.3175.526.7-33.6000110.2V572 V610 K611P570-V572 PolarHBondContact O-N 3.36Å; P570-V610 HydrophobicContact CG-CB 4.39Å; P570-V610 HydrophobicContact CG-CG1 3.94Å; P570-K611 HydrophobicContact CB-CB 3.89Å; P570-K611 HydrophobicContact CB-CD 4.37Å; P570-K611 HydrophobicContact CB-CG 4.26Å; P570-K611 HydrophobicContact CG-CB 4.06Å
571K88.5Confident87.4Confident200 Ų20066 Ų6687%0.8738%0.375SS*.  trans-71.1113.9171.7-67.1-176.2178.7-178.10109.3A569A569-K571 PolarHBondContact O-N 2.85Å
572V86Confident88.7Confident36 Ų3662.4 Ų62.422%0.21836%0.364CS..  trans-118.6135.2172.9-75.50000109.1P570 V575 K611 L614 L615P570-V572 PolarHBondContact O-N 3.36Å; V572-V575 HydrophobicContact CG2-CG2 3.71Å; V572-K611 HydrophobicContact CG1-CG 3.72Å; V572-L614 HydrophobicContact CG1-CB 4.31Å; V572-L614 HydrophobicContact CG2-CB 4.35Å; V572-L614 HydrophobicContact CG2-CD1 3.95Å; V572-L615 HydrophobicContact CB-CD2 4.39Å; V572-L615 HydrophobicContact CG1-CD1 4.41Å; V572-L615 HydrophobicContact CG1-CD2 4.25Å; V572-L615 HydrophobicContact CG1-CG 4.09Å
573G81.3Confident89.9Confident90 Ų9061 Ų6193%0.92835%0.354SS*.SBendtrans-71.3-50.5-175.500000112.9
574S84.5Confident90.4Very high78 Ų7855.9 Ų55.955%0.54533%0.33SS..SBendtrans-131.8120.2174.3-175.80000108.7
575V84.4Confident90.6Very high60 Ų6055.3 Ų55.336%0.36433%0.326SS..  trans-76126.3172.41780000108.3V572 E578 L614V572-V575 HydrophobicContact CG2-CG2 3.71Å; V575-E578 HydrophobicContact CG1-CG 3.52Å; V575-L614 HydrophobicContact CG1-CD2 3.98Å
576L84.3Confident90.8Very high81 Ų8153.8 Ų53.842%0.42431%0.313SS..SBendtrans-94.2-41.4177.4-61.2-172.8000111.8L614 L615 S616L576-L614 PolarHBondContact N-O 2.87Å; L576-L615 VanDerWaalsContact CD1-O 3.28Å; L576-L615 WeakPolarHBondContact CD1-O 3.43Å; L576-S616 WeakPolarHBondContact CB-O 3.34Å
577N82Confident90.9Very high15 Ų1550.9 Ų50.98%0.0830%0.3CS..  trans-148.6133177.8-168.8-7.8000109.8S579 L614 S616 H617N577-S579 WeakPolarHBondContact OD1-CB 3.4Å; N577-S579 PolarHBondContact OD1-N 2.98Å; N577-L614 WeakPolarHBondContact O-CA 3.32Å; N577-S616 WeakPolarHBondContact CB-O 3.34Å; N577-H617 PolarHBondContact ND2-O 3.33Å
578E82.7Confident90.9Very high124 Ų12449.5 Ų49.558%0.57930%0.295SS*.  trans-94.8-20176-66.4-179.3167.300112.1V575 G580 A581 L614V575-E578 HydrophobicContact CG1-CG 3.52Å; E578-G580 PolarHBondContact O-N 3.27Å; E578-A581 WeakPolarHBondContact O-CB 3.46Å; E578-A581 PolarHBondContact O-N 3.38Å; E578-L614 HydrophobicContact CG-CD2 4.25Å
579S85Confident91Very high40 Ų4041.2 Ų41.228%0.2826%0.259SS..THydrogen-bonded Turntrans-67.8129.8-178.4-61.90000111Y327 N577Y327-S579 PolarHBondContact OH-OG 2.68Å; N577-S579 WeakPolarHBondContact OD1-CB 3.4Å; N577-S579 PolarHBondContact OD1-N 2.98Å
580G90.8Very high91.2Very high11 Ų1139.7 Ų39.711%0.11325%0.246CC..THydrogen-bonded Turntrans87.5-1.4179.900000115E578 G582 D583 C584E578-G580 PolarHBondContact O-N 3.27Å; G580-G582 PolarHBondContact O-N 3.45Å; G580-D583 PolarHBondContact O-N 3.1Å; G580-C584 WeakPolarHBondContact O-CB 3.35Å; G580-C584 PolarHBondContact O-N 2.85Å; G580-C584 PolarHBondContact O-SG 2.83Å; G580-C584 VanDerWaalsContact O-SG 3.34Å
581A94.3Very high91.5Very high15 Ų1539.4 Ų39.412%0.12424%0.242CC..Hα-helixtrans-60.4-44.1177.300000112.2E578 C584 L585 V610 S613 L614E578-A581 WeakPolarHBondContact O-CB 3.46Å; E578-A581 PolarHBondContact O-N 3.38Å; A581-C584 PolarHBondContact O-N 2.9Å; A581-L585 PolarHBondContact O-N 2.91Å; A581-V610 HydrophobicContact CB-CG1 4.39Å; A581-S613 WeakPolarHBondContact CA-OG 3.36Å; A581-S613 PolarHBondContact N-OG 2.92Å; A581-L614 HydrophobicContact CB-CD2 4.13Å
582G96.1Very high91.9Very high33 Ų3329.9 Ų29.934%0.3420%0.2SC..Hα-helixtrans-64.1-39.1174.100000112.9G580 C584 L585 N586G580-G582 PolarHBondContact O-N 3.45Å; G582-C584 PolarHBondContact O-N 3.42Å; G582-L585 VanDerWaalsContact O-CB 3.3Å; G582-L585 WeakPolarHBondContact O-CB 3.28Å; G582-L585 PolarHBondContact O-N 3.19Å; G582-N586 VanDerWaalsContact O-CG 3.32Å; G582-N586 PolarHBondContact O-N 3.48Å
583D97.8Very high92.4Very high16 Ų1630.1 Ų30.19%0.08620%0.2CC..Hα-helixtrans-66.3-40.9177.5-56.1-37.8000111.5N355 V356 G580 L585 N586 A587 I620N355-D583 HydrophobicContact CB-CB 3.65Å; N355-D583 WeakPolarHBondContact CB-OD2 3.39Å; N355-D583 PolarHBondContact ND2-OD2 2.64Å; V356-D583 HydrophobicContact CG2-CB 3.89Å; G580-D583 PolarHBondContact O-N 3.1Å; D583-L585 VanDerWaalsContact C-N 3.35Å; D583-N586 PolarHBondContact O-N 2.82Å; D583-A587 WeakPolarHBondContact O-CB 3.41Å; D583-A587 PolarHBondContact O-N 3.07Å; D583-I620 HydrophobicContact CB-CD1 4.43Å
584C97.9Very high93Very high1 Ų127.8 Ų27.81%0.00717%0.166CC..Hα-helixtrans-65.8-36173.8-71.50000112.2G580 A581 G582 G588 C609G580-C584 WeakPolarHBondContact O-CB 3.35Å; G580-C584 PolarHBondContact O-N 2.85Å; G580-C584 PolarHBondContact O-SG 2.83Å; G580-C584 VanDerWaalsContact O-SG 3.34Å; A581-C584 PolarHBondContact O-N 2.9Å; G582-C584 PolarHBondContact O-N 3.42Å; C584-G588 PolarHBondContact O-N 3.26Å; C584-C609 HydrophobicContact CB-CB 4.14Å; C584-C609 VanDerWaalsContact O-CB 3.23Å; C584-C609 WeakPolarHBondContact O-CB 3.15Å
585L98.1Very high93.3Very high3 Ų328.6 Ų28.62%0.01616%0.161CC..Hα-helixtrans-59.8-53.5172.6177.666.1000110.5L543 T545 I551 A581 G582 D583 A587 G588 I589 L607 V610L543-L585 HydrophobicContact CD2-CD2 3.81Å; L543-L585 HydrophobicContact CD2-CG 4.01Å; L543-L585 HydrophobicContact CG-CD2 4.37Å; T545-L585 HydrophobicContact CG2-CD2 3.55Å; I551-L585 HydrophobicContact CD1-CD1 4.28Å; I551-L585 HydrophobicContact CG2-CD2 3.89Å; A581-L585 PolarHBondContact O-N 2.91Å; G582-L585 VanDerWaalsContact O-CB 3.3Å; G582-L585 WeakPolarHBondContact O-CB 3.28Å; G582-L585 PolarHBondContact O-N 3.19Å; D583-L585 VanDerWaalsContact C-N 3.35Å; L585-A587 PolarHBondContact O-N 3.22Å; L585-G588 PolarHBondContact O-N 3.1Å; L585-I589 HydrophobicContact CD1-CD1 3.84Å; L585-I589 HydrophobicContact CG-CD1 3.99Å; L585-I589 WeakPolarHBondContact O-CG1 3.22Å; L585-I589 PolarHBondContact O-N 3.03Å; L585-L607 HydrophobicContact CD1-CD2 4.45Å; L585-V610 HydrophobicContact CB-CG2 3.58Å; L585-V610 HydrophobicContact CD1-CG2 3.91Å; L585-V610 HydrophobicContact CG-CG2 4.23Å
586N98.5Very high93.6Very high2 Ų228.9 Ų28.91%0.01118%0.176CC..Hα-helixtrans-59-49.1179.9-68.1-16.4000110.7V356 W471 D473 S496 G582 D583 G588 I589 I590V356-N586 HydrophobicContact CG2-CB 4.39Å; W471-N586 HydrophobicContact CZ2-CB 4.19Å; W471-N586 WeakPolarHBondContact CZ2-OD1 3.42Å; D473-N586 PolarHBondContact OD2-ND2 3.21Å; S496-N586 WeakPolarHBondContact CB-OD1 3.42Å; S496-N586 PolarHBondContact OG-ND2 3.41Å; G582-N586 VanDerWaalsContact O-CG 3.32Å; G582-N586 PolarHBondContact O-N 3.48Å; D583-N586 PolarHBondContact O-N 2.82Å; N586-G588 PolarHBondContact O-N 2.88Å; N586-I589 PolarHBondContact O-N 3.12Å; N586-I590 WeakPolarHBondContact O-CB 3.32Å; N586-I590 WeakPolarHBondContact O-CD1 3.47Å; N586-I590 WeakPolarHBondContact O-CG1 3.47Å; N586-I590 PolarHBondContact O-N 3.15Å
587A98.5Very high93.9Very high0 Ų028.2 Ų28.20%017%0.169CC..Hα-helixtrans-59.7-42.5178.400000112.9V356 A359 L360 L363 D583 L585 I590 Y591V356-A587 HydrophobicContact CG1-CB 4.17Å; A359-A587 HydrophobicContact CB-CB 3.39Å; L360-A587 HydrophobicContact CD2-CB 4.23Å; L360-A587 HydrophobicContact CG-CB 4.07Å; L363-A587 HydrophobicContact CD1-CB 4.44Å; D583-A587 WeakPolarHBondContact O-CB 3.41Å; D583-A587 PolarHBondContact O-N 3.07Å; L585-A587 PolarHBondContact O-N 3.22Å; A587-I590 PolarHBondContact O-N 3.18Å; A587-Y591 WeakPolarHBondContact O-CB 3.47Å; A587-Y591 PolarHBondContact O-N 2.89Å
588G98Very high94.3Very high0 Ų031.8 Ų31.80%019%0.192CC..Hα-helixtrans-65.9-39.217800000113.3C584 L585 N586 S592 F605C584-G588 PolarHBondContact O-N 3.26Å; L585-G588 PolarHBondContact O-N 3.1Å; N586-G588 PolarHBondContact O-N 2.88Å; G588-S592 WeakPolarHBondContact O-CB 3.45Å; G588-S592 PolarHBondContact O-N 2.98Å; G588-S592 VanDerWaalsContact O-N 3.1Å; G588-S592 PolarHBondContact O-OG 3.25Å; G588-F605 WeakPolarHBondContact O-CD1 3.23Å
589I98.2Very high94.7Very high0 Ų028.4 Ų28.40%018%0.177CC..Hα-helixtrans-68.7-46.5175.3-67.9166.5000110.2W471 L543 L585 N586 Y591 S592 L593 C602W471-I589 HydrophobicContact CH2-CB 4.08Å; W471-I589 HydrophobicContact CH2-CG2 3.64Å; W471-I589 HydrophobicContact CZ3-CG2 3.92Å; L543-I589 HydrophobicContact CD1-CD1 3.91Å; L543-I589 HydrophobicContact CD2-CD1 3.36Å; L543-I589 HydrophobicContact CG-CD1 4.29Å; L585-I589 HydrophobicContact CD1-CD1 3.84Å; L585-I589 HydrophobicContact CG-CD1 3.99Å; L585-I589 WeakPolarHBondContact O-CG1 3.22Å; L585-I589 PolarHBondContact O-N 3.03Å; N586-I589 PolarHBondContact O-N 3.12Å; I589-Y591 PolarHBondContact O-N 3.4Å; I589-S592 PolarHBondContact O-N 2.74Å; I589-S592 VanDerWaalsContact O-N 3.12Å; I589-L593 HydrophobicContact CG2-CD1 3.87Å; I589-L593 HydrophobicContact CG2-CG 4.19Å; I589-L593 WeakPolarHBondContact O-CG 3.3Å; I589-L593 PolarHBondContact O-N 2.68Å; I589-C602 WeakPolarHBondContact CG1-O 3.19Å; I589-C602 HydrophobicContact CG2-CB 4.17Å
590I98.3Very high95Very high0 Ų030.6 Ų30.60%019%0.186CC..Hα-helixtrans-57.6-48.7176.7-69.7164.9000110.4V316 V356 L360 L444 L446 W471 N586 A587 S592 L593 L594V316-I590 HydrophobicContact CG2-CG2 3.79Å; V356-I590 HydrophobicContact CG1-CD1 4.31Å; L360-I590 HydrophobicContact CD1-CG2 4.45Å; L360-I590 HydrophobicContact CD2-CB 4.14Å; L360-I590 HydrophobicContact CD2-CG2 3.82Å; L444-I590 HydrophobicContact CD2-CD1 4.24Å; L444-I590 HydrophobicContact CD2-CG1 4.49Å; L444-I590 HydrophobicContact CD2-CG2 4.43Å; L446-I590 HydrophobicContact CD1-CD1 3.74Å; W471-I590 HydrophobicContact CD2-CD1 4.07Å; W471-I590 HydrophobicContact CD2-CG1 4.14Å; W471-I590 HydrophobicContact CE3-CD1 4.08Å; W471-I590 HydrophobicContact CE3-CG1 3.64Å; W471-I590 HydrophobicContact CG-CD1 4.37Å; W471-I590 HydrophobicContact CH2-CG1 4.48Å; W471-I590 HydrophobicContact CZ3-CG1 3.85Å; N586-I590 WeakPolarHBondContact O-CB 3.32Å; N586-I590 WeakPolarHBondContact O-CD1 3.47Å; N586-I590 WeakPolarHBondContact O-CG1 3.47Å; N586-I590 PolarHBondContact O-N 3.15Å; A587-I590 PolarHBondContact O-N 3.18Å; I590-S592 VanDerWaalsContact C-N 3.29Å; I590-S592 PolarHBondContact O-N 3.31Å; I590-L593 PolarHBondContact O-N 3.47Å; I590-L594 HydrophobicContact CG2-CD1 3.97Å; I590-L594 HydrophobicContact CG2-CG 4.45Å; I590-L594 VanDerWaalsContact O-CG 3.26Å; I590-L594 WeakPolarHBondContact O-CG 3.19Å; I590-L594 PolarHBondContact O-N 3.14Å
591Y97.5Very high95.2Very high23 Ų2336.2 Ų36.29%0.0920%0.204CC..Hα-helixtrans-51.8-49.7174.2164.7-101.5000111.5L363 V365 A587 I589 L594 Q595 F605 K628L363-Y591 HydrophobicContact CB-CD2 4.2Å; L363-Y591 HydrophobicContact CB-CG 4.38Å; L363-Y591 HydrophobicContact CD1-CG 4.33Å; V365-Y591 HydrophobicContact CG2-CD2 3.63Å; V365-Y591 HydrophobicContact CG2-CG 4.43Å; A587-Y591 WeakPolarHBondContact O-CB 3.47Å; A587-Y591 PolarHBondContact O-N 2.89Å; I589-Y591 PolarHBondContact O-N 3.4Å; Y591-L594 WeakPolarHBondContact O-CB 3.41Å; Y591-L594 PolarHBondContact O-N 3.19Å; Y591-Q595 HydrophobicContact CE1-CG 4.17Å; Y591-Q595 HydrophobicContact CE2-CG 4.06Å; Y591-Q595 WeakPolarHBondContact O-CG 3.42Å; Y591-Q595 PolarHBondContact O-N 2.99Å; Y591-Q595 VanDerWaalsContact O-N 3.14Å; Y591-F605 AromaticContact CD1-CD1 3.94Å; Y591-F605 HydrophobicContact CD1-CD1 3.94Å; Y591-F605 AromaticContact CD1-CE1 3.4Å; Y591-F605 HydrophobicContact CD1-CE1 3.4Å; Y591-F605 VanDerWaalsContact CD1-CE1 3.4Å; Y591-F605 HydrophobicContact CD1-CE2 4.47Å; Y591-F605 AromaticContact CD1-CZ 3.71Å; Y591-F605 HydrophobicContact CD1-CZ 3.71Å; Y591-F605 AromaticContact CE1-CE1 3.87Å; Y591-F605 HydrophobicContact CE1-CE1 3.87Å; Y591-F605 HydrophobicContact CE1-CE2 4.14Å; Y591-F605 AromaticContact CE1-CZ 3.66Å; Y591-F605 HydrophobicContact CE1-CZ 3.66Å; Y591-F605 HydrophobicContact CG-CE1 4.34Å; Y591-K628 HydrophobicContact CE1-CG 4.31Å; Y591-K628 HydrophobicContact CE2-CD 4.07Å
592S96.4Very high95.2Very high0 Ų035.5 Ų35.50%020%0.198CC..Hα-helixtrans-67.5-36.6-177.2-60.70000113.2G588 I589 I590 L594 Q595 G596 Y597 C602 F605G588-S592 WeakPolarHBondContact O-CB 3.45Å; G588-S592 PolarHBondContact O-N 2.98Å; G588-S592 VanDerWaalsContact O-N 3.1Å; G588-S592 PolarHBondContact O-OG 3.25Å; I589-S592 PolarHBondContact O-N 2.74Å; I589-S592 VanDerWaalsContact O-N 3.12Å; I590-S592 VanDerWaalsContact C-N 3.29Å; I590-S592 PolarHBondContact O-N 3.31Å; S592-L594 VanDerWaalsContact C-N 3.34Å; S592-Q595 PolarHBondContact O-N 3.19Å; S592-G596 PolarHBondContact O-N 3.39Å; S592-Y597 PolarHBondContact O-N 3.29Å; S592-Y597 VanDerWaalsContact O-N 3.17Å; S592-C602 WeakPolarHBondContact CB-SG 3.21Å; S592-F605 WeakPolarHBondContact OG-CB 3.44Å; S592-F605 WeakPolarHBondContact OG-CD1 3.5Å; S592-F605 WeakPolarHBondContact OG-CG 3.46Å
593L95.5Very high95.2Very high41 Ų4134 Ų3422%0.21518%0.182CC..Hα-helixtrans-62.8-41.6173.2-72.8170.9000111W471 Y494 I589 I590 Q595 G596 M599W471-L593 HydrophobicContact CZ3-CD1 3.96Å; Y494-L593 HydrophobicContact CD1-CD1 4.35Å; Y494-L593 HydrophobicContact CE1-CD1 3.72Å; I589-L593 HydrophobicContact CG2-CD1 3.87Å; I589-L593 HydrophobicContact CG2-CG 4.19Å; I589-L593 WeakPolarHBondContact O-CG 3.3Å; I589-L593 PolarHBondContact O-N 2.68Å; I590-L593 PolarHBondContact O-N 3.47Å; L593-Q595 PolarHBondContact O-N 2.94Å; L593-G596 PolarHBondContact O-N 3.26Å; L593-M599 HydrophobicContact CD2-CE 4.31Å
594L94Very high95.1Very high40 Ų4037.5 Ų37.521%0.20920%0.198CC..Hα-helixtrans-66.3-24.2176-64.9169.1000112.8D315 V316 V365 K443 I590 Y591 S592 G596D315-L594 HydrophobicContact CB-CD1 4.08Å; V316-L594 HydrophobicContact CG2-CD1 3.73Å; V365-L594 HydrophobicContact CG1-CD1 3.7Å; V365-L594 HydrophobicContact CG2-CD1 4.4Å; K443-L594 HydrophobicContact CB-CD2 3.67Å; K443-L594 HydrophobicContact CD-CD2 3.66Å; K443-L594 HydrophobicContact CG-CD2 4.33Å; I590-L594 HydrophobicContact CG2-CD1 3.97Å; I590-L594 HydrophobicContact CG2-CG 4.45Å; I590-L594 VanDerWaalsContact O-CG 3.26Å; I590-L594 WeakPolarHBondContact O-CG 3.19Å; I590-L594 PolarHBondContact O-N 3.14Å; Y591-L594 WeakPolarHBondContact O-CB 3.41Å; Y591-L594 PolarHBondContact O-N 3.19Å; S592-L594 VanDerWaalsContact C-N 3.34Å; L594-G596 VanDerWaalsContact C-N 3.29Å
595Q91.4Very high95.1Very high96 Ų9638.3 Ų38.345%0.44920%0.201SC..THydrogen-bonded Turntrans-80.5-5.8170.7-57.2-45.6-63.300113.5Y591 S592 L593 Y597Y591-Q595 HydrophobicContact CE1-CG 4.17Å; Y591-Q595 HydrophobicContact CE2-CG 4.06Å; Y591-Q595 WeakPolarHBondContact O-CG 3.42Å; Y591-Q595 PolarHBondContact O-N 2.99Å; Y591-Q595 VanDerWaalsContact O-N 3.14Å; S592-Q595 PolarHBondContact O-N 3.19Å; L593-Q595 PolarHBondContact O-N 2.94Å; Q595-Y597 HydrophobicContact CB-CD1 4.21Å; Q595-Y597 HydrophobicContact CB-CD2 3.98Å; Q595-Y597 HydrophobicContact CB-CE1 4.03Å; Q595-Y597 HydrophobicContact CB-CE2 3.77Å; Q595-Y597 HydrophobicContact CB-CG 4.18Å; Q595-Y597 HydrophobicContact CG-CE2 4.04Å
596G90.5Very high95.1Very high66 Ų6638.1 Ų38.168%0.6820%0.2SC*.THydrogen-bonded Turntrans73.623.6-177.100000114.2S592 L593 L594S592-G596 PolarHBondContact O-N 3.39Å; L593-G596 PolarHBondContact O-N 3.26Å; L594-G596 VanDerWaalsContact C-N 3.29Å
597Y91.2Very high95Very high67 Ų6738.8 Ų38.826%0.26320%0.204SC..  trans-72.5152.7177.4-66.5-24.6000112.6S592 Q595 R601 C602S592-Y597 PolarHBondContact O-N 3.29Å; S592-Y597 VanDerWaalsContact O-N 3.17Å; Q595-Y597 HydrophobicContact CB-CD1 4.21Å; Q595-Y597 HydrophobicContact CB-CD2 3.98Å; Q595-Y597 HydrophobicContact CB-CE1 4.03Å; Q595-Y597 HydrophobicContact CB-CE2 3.77Å; Q595-Y597 HydrophobicContact CB-CG 4.18Å; Q595-Y597 HydrophobicContact CG-CE2 4.04Å; Y597-R601 HydrophobicContact CD2-CG 4.21Å; Y597-R601 VanDerWaalsContact CE1-NH1 3.28Å; Y597-R601 HydrophobicContact CG-CG 4.27Å; Y597-R601 VanDerWaalsContact CZ-CZ 3.48Å; Y597-R601 PolarHBondContact OH-NH2 3.32Å; Y597-C602 PolarHBondContact O-SG 3.43Å; Y597-C602 VanDerWaalsContact O-SG 3.35Å
598P89.7Confident94.9Very high89 Ų8944 Ų4458%0.57822%0.223SC*.  trans-65.2150.8173.227.7-34.6000111.1D600 R601 C602P598-D600 VanDerWaalsContact C-N 3.3Å; P598-D600 PolarHBondContact O-N 2.9Å; P598-D600 VanDerWaalsContact O-N 3.16Å; P598-R601 HydrophobicContact CG-CB 4Å; P598-R601 WeakPolarHBondContact O-CA 3.43Å; P598-R601 WeakPolarHBondContact O-CB 3.43Å; P598-R601 PolarHBondContact O-N 2.98Å; P598-C602 PolarHBondContact O-N 2.99Å; P598-C602 VanDerWaalsContact O-N 3.07Å; P598-C602 PolarHBondContact O-SG 2.94Å
599M90.6Very high94.8Very high53 Ų5344 Ų4426%0.26122%0.224SC..Hα-helixtrans-51.8-43.7-171.6-172.359.173.200113.7L541 L593 R601 C602 I603L541-M599 HydrophobicContact CB-CE 4.27Å; L541-M599 HydrophobicContact CD1-CE 4.27Å; L541-M599 HydrophobicContact CD1-SD 4.01Å; L541-M599 HydrophobicContact CD2-CE 4.14Å; L541-M599 HydrophobicContact CD2-SD 3.8Å; L541-M599 HydrophobicContact CG-CE 4.47Å; L541-M599 HydrophobicContact CG-SD 4.44Å; L593-M599 HydrophobicContact CD2-CE 4.31Å; M599-R601 VanDerWaalsContact C-N 3.33Å; M599-R601 PolarHBondContact O-N 3.45Å; M599-C602 WeakPolarHBondContact O-CB 3.28Å; M599-C602 PolarHBondContact O-N 3.39Å; M599-C602 VanDerWaalsContact O-N 3.13Å; M599-I603 HydrophobicContact CG-CD1 3.86Å; M599-I603 HydrophobicContact CG-CG1 4.48Å; M599-I603 WeakPolarHBondContact O-CG1 3.08Å; M599-I603 PolarHBondContact O-N 2.65Å; M599-I603 HydrophobicContact SD-CD1 4.3Å; M599-I603 HydrophobicContact SD-CG1 4.42Å
600D92.1Very high94.7Very high87 Ų8744.9 Ų44.947%0.46523%0.229SC..Hα-helixtrans-57.8-44.5177.5-173.872.6000112.2Y567 P598 C602 I603 Q604Y567-D600 WeakPolarHBondContact CE1-OD1 3.47Å; Y567-D600 PolarHBondContact OH-OD1 3.1Å; P598-D600 VanDerWaalsContact C-N 3.3Å; P598-D600 PolarHBondContact O-N 2.9Å; P598-D600 VanDerWaalsContact O-N 3.16Å; D600-C602 VanDerWaalsContact C-N 3.35Å; D600-C602 PolarHBondContact O-N 3.36Å; D600-I603 PolarHBondContact O-N 2.76Å; D600-Q604 VanDerWaalsContact O-CG 3.25Å; D600-Q604 WeakPolarHBondContact O-CG 3.35Å; D600-Q604 PolarHBondContact O-N 2.68Å
601R94.2Very high94.6Very high129 Ų12949.4 Ų49.449%0.48725%0.248SC..Hα-helixtrans-66.1-37.9176.8-176.8174.8-179.7-175.9-0.2111.6Y597 P598 M599 I603 Q604 F605Y597-R601 HydrophobicContact CD2-CG 4.21Å; Y597-R601 VanDerWaalsContact CE1-NH1 3.28Å; Y597-R601 HydrophobicContact CG-CG 4.27Å; Y597-R601 VanDerWaalsContact CZ-CZ 3.48Å; Y597-R601 PolarHBondContact OH-NH2 3.32Å; P598-R601 HydrophobicContact CG-CB 4Å; P598-R601 WeakPolarHBondContact O-CA 3.43Å; P598-R601 WeakPolarHBondContact O-CB 3.43Å; P598-R601 PolarHBondContact O-N 2.98Å; M599-R601 VanDerWaalsContact C-N 3.33Å; M599-R601 PolarHBondContact O-N 3.45Å; R601-I603 VanDerWaalsContact C-N 3.34Å; R601-Q604 PolarHBondContact O-N 3.23Å; R601-F605 WeakPolarHBondContact O-CB 3.39Å; R601-F605 PolarHBondContact O-N 2.94Å
602C95.4Very high94.5Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-60.3-46.8175.2-590000111.2I589 S592 Y597 P598 M599 D600 F605 G606I589-C602 WeakPolarHBondContact CG1-O 3.19Å; I589-C602 HydrophobicContact CG2-CB 4.17Å; S592-C602 WeakPolarHBondContact CB-SG 3.21Å; Y597-C602 PolarHBondContact O-SG 3.43Å; Y597-C602 VanDerWaalsContact O-SG 3.35Å; P598-C602 PolarHBondContact O-N 2.99Å; P598-C602 VanDerWaalsContact O-N 3.07Å; P598-C602 PolarHBondContact O-SG 2.94Å; M599-C602 WeakPolarHBondContact O-CB 3.28Å; M599-C602 PolarHBondContact O-N 3.39Å; M599-C602 VanDerWaalsContact O-N 3.13Å; D600-C602 VanDerWaalsContact C-N 3.35Å; D600-C602 PolarHBondContact O-N 3.36Å; C602-F605 PolarHBondContact O-N 2.75Å; C602-G606 PolarHBondContact O-N 3.29Å
603I96Very high94.4Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-64.2-46.2179.6-68165.9000111.2I551 A553 Y567 M599 D600 R601 F605 G606 L607I551-I603 HydrophobicContact CD1-CG2 3.31Å; I551-I603 HydrophobicContact CG1-CG2 4.37Å; A553-I603 HydrophobicContact CB-CD1 3.37Å; A553-I603 HydrophobicContact CB-CG1 4.44Å; Y567-I603 HydrophobicContact CD1-CG2 3.77Å; Y567-I603 HydrophobicContact CD2-CD1 4.43Å; Y567-I603 HydrophobicContact CD2-CG2 3.72Å; Y567-I603 HydrophobicContact CE1-CB 4.33Å; Y567-I603 HydrophobicContact CE1-CG2 3.86Å; Y567-I603 HydrophobicContact CE2-CB 4.41Å; Y567-I603 HydrophobicContact CE2-CD1 3.62Å; Y567-I603 HydrophobicContact CE2-CG2 3.82Å; Y567-I603 HydrophobicContact CG-CG2 3.71Å; M599-I603 HydrophobicContact CG-CD1 3.86Å; M599-I603 HydrophobicContact CG-CG1 4.48Å; M599-I603 WeakPolarHBondContact O-CG1 3.08Å; M599-I603 PolarHBondContact O-N 2.65Å; M599-I603 HydrophobicContact SD-CD1 4.3Å; M599-I603 HydrophobicContact SD-CG1 4.42Å; D600-I603 PolarHBondContact O-N 2.76Å; R601-I603 VanDerWaalsContact C-N 3.34Å; I603-F605 VanDerWaalsContact C-N 3.31Å; I603-F605 PolarHBondContact O-N 3.4Å; I603-G606 PolarHBondContact O-N 2.95Å; I603-L607 HydrophobicContact CG2-CD1 4.35Å; I603-L607 WeakPolarHBondContact O-CG 3.36Å; I603-L607 PolarHBondContact O-N 3.05Å
604Q96.1Very high94.3Very high91 Ų9148.4 Ų48.443%0.42525%0.248SC..Hα-helixtrans-61.1-39.2177.3-68.7-67.6-15.900112.3D600 R601 L607 R608D600-Q604 VanDerWaalsContact O-CG 3.25Å; D600-Q604 WeakPolarHBondContact O-CG 3.35Å; D600-Q604 PolarHBondContact O-N 2.68Å; R601-Q604 PolarHBondContact O-N 3.23Å; Q604-L607 PolarHBondContact O-N 3.23Å; Q604-R608 PolarHBondContact O-N 2.95Å; Q604-R608 VanDerWaalsContact O-N 3.08Å
605F97Very high94.2Very high17 Ų1750.5 Ų50.58%0.07526%0.259CS..Hα-helixtrans-66.4-42.9174.9-170.4-89.8000111.8L363 G588 Y591 S592 R601 C602 I603 L607 R608 C609 L627L363-F605 HydrophobicContact CD1-CE1 4.46Å; L363-F605 HydrophobicContact CD2-CE1 4.02Å; L363-F605 HydrophobicContact CD2-CZ 4.02Å; G588-F605 WeakPolarHBondContact O-CD1 3.23Å; Y591-F605 AromaticContact CD1-CD1 3.94Å; Y591-F605 HydrophobicContact CD1-CD1 3.94Å; Y591-F605 AromaticContact CD1-CE1 3.4Å; Y591-F605 HydrophobicContact CD1-CE1 3.4Å; Y591-F605 VanDerWaalsContact CD1-CE1 3.4Å; Y591-F605 HydrophobicContact CD1-CE2 4.47Å; Y591-F605 AromaticContact CD1-CZ 3.71Å; Y591-F605 HydrophobicContact CD1-CZ 3.71Å; Y591-F605 AromaticContact CE1-CE1 3.87Å; Y591-F605 HydrophobicContact CE1-CE1 3.87Å; Y591-F605 HydrophobicContact CE1-CE2 4.14Å; Y591-F605 AromaticContact CE1-CZ 3.66Å; Y591-F605 HydrophobicContact CE1-CZ 3.66Å; Y591-F605 HydrophobicContact CG-CE1 4.34Å; S592-F605 WeakPolarHBondContact OG-CB 3.44Å; S592-F605 WeakPolarHBondContact OG-CD1 3.5Å; S592-F605 WeakPolarHBondContact OG-CG 3.46Å; R601-F605 WeakPolarHBondContact O-CB 3.39Å; R601-F605 PolarHBondContact O-N 2.94Å; C602-F605 PolarHBondContact O-N 2.75Å; I603-F605 VanDerWaalsContact C-N 3.31Å; I603-F605 PolarHBondContact O-N 3.4Å; F605-L607 VanDerWaalsContact C-N 3.29Å; F605-L607 PolarHBondContact O-N 3.4Å; F605-R608 WeakPolarHBondContact O-CA 3.28Å; F605-R608 WeakPolarHBondContact O-CB 3.43Å; F605-R608 PolarHBondContact O-N 3.46Å; F605-C609 PolarHBondContact O-N 3.12Å; F605-L627 HydrophobicContact CE2-CB 4.24Å; F605-L627 VanDerWaalsContact CE2-O 3.27Å; F605-L627 WeakPolarHBondContact CE2-O 3.48Å; F605-L627 HydrophobicContact CZ-CB 4.12Å
606G97.3Very high94.3Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-55.2-43.2171.800000112.7C602 I603 R608 C609 V610C602-G606 PolarHBondContact O-N 3.29Å; I603-G606 PolarHBondContact O-N 2.95Å; G606-R608 VanDerWaalsContact C-N 3.31Å; G606-R608 PolarHBondContact O-N 3.41Å; G606-C609 WeakPolarHBondContact O-CA 3.43Å; G606-C609 WeakPolarHBondContact O-CB 3.19Å; G606-C609 PolarHBondContact O-N 3.03Å; G606-C609 VanDerWaalsContact O-N 3.08Å; G606-V610 WeakPolarHBondContact O-CG2 3.34Å; G606-V610 PolarHBondContact O-N 3.32Å
607L97Very high94.1Very high15 Ų1550.7 Ų50.78%0.07924%0.244CC..Hα-helixtrans-65.8-29.6175.2-68.3171.4000113.4I551 Y567 L585 I603 Q604 F605 V610 K611I551-L607 HydrophobicContact CD1-CD1 4.1Å; I551-L607 HydrophobicContact CD1-CD2 3.75Å; I551-L607 HydrophobicContact CD1-CG 3.92Å; I551-L607 HydrophobicContact CG1-CD2 4.21Å; I551-L607 HydrophobicContact CG2-CD2 4.48Å; Y567-L607 HydrophobicContact CD1-CD1 4.41Å; Y567-L607 HydrophobicContact CG-CD1 4.43Å; L585-L607 HydrophobicContact CD1-CD2 4.45Å; I603-L607 HydrophobicContact CG2-CD1 4.35Å; I603-L607 WeakPolarHBondContact O-CG 3.36Å; I603-L607 PolarHBondContact O-N 3.05Å; Q604-L607 PolarHBondContact O-N 3.23Å; F605-L607 VanDerWaalsContact C-N 3.29Å; F605-L607 PolarHBondContact O-N 3.4Å; L607-V610 PolarHBondContact O-N 3.29Å; L607-K611 PolarHBondContact O-N 2.8Å
608R96Very high94Very high110 Ų11049.8 Ų49.842%0.41525%0.247SC..Hα-helixtrans-65.8-40.8169.1-69.7173.965.3-174.8-1.8111Q604 F605 G606 K611 A612 L627 K629Q604-R608 PolarHBondContact O-N 2.95Å; Q604-R608 VanDerWaalsContact O-N 3.08Å; F605-R608 WeakPolarHBondContact O-CA 3.28Å; F605-R608 WeakPolarHBondContact O-CB 3.43Å; F605-R608 PolarHBondContact O-N 3.46Å; G606-R608 VanDerWaalsContact C-N 3.31Å; G606-R608 PolarHBondContact O-N 3.41Å; R608-K611 WeakPolarHBondContact O-CB 3.39Å; R608-K611 PolarHBondContact O-N 3.07Å; R608-A612 PolarHBondContact O-N 2.92Å; R608-L627 HydrophobicContact CB-CD1 4.48Å; R608-L627 PolarHBondContact NH1-O 3.38Å; R608-L627 PolarHBondContact NH2-O 3.37Å; R608-K629 PolarHBondContact NH2-OXT 2.93Å
609C97Very high94.1Very high1 Ų145.7 Ų45.71%0.00722%0.221CC..Hα-helixtrans-64.2-41.1174.4-63.90000111.9C584 F605 G606 K611 A612 S613 L624C584-C609 HydrophobicContact CB-CB 4.14Å; C584-C609 VanDerWaalsContact O-CB 3.23Å; C584-C609 WeakPolarHBondContact O-CB 3.15Å; F605-C609 PolarHBondContact O-N 3.12Å; G606-C609 WeakPolarHBondContact O-CA 3.43Å; G606-C609 WeakPolarHBondContact O-CB 3.19Å; G606-C609 PolarHBondContact O-N 3.03Å; G606-C609 VanDerWaalsContact O-N 3.08Å; C609-K611 VanDerWaalsContact C-N 3.34Å; C609-K611 PolarHBondContact O-N 3.29Å; C609-A612 PolarHBondContact O-N 3.22Å; C609-S613 PolarHBondContact O-N 3.43Å; C609-L624 HydrophobicContact CB-CD2 4.36Å
610V96.3Very high94.3Very high17 Ų1743.5 Ų43.510%0.10321%0.21CC..Hα-helixtrans-56.3-48.7171.1172.50000110.6P570 A581 L585 G606 L607 A612 S613 L614P570-V610 HydrophobicContact CG-CB 4.39Å; P570-V610 HydrophobicContact CG-CG1 3.94Å; A581-V610 HydrophobicContact CB-CG1 4.39Å; L585-V610 HydrophobicContact CB-CG2 3.58Å; L585-V610 HydrophobicContact CD1-CG2 3.91Å; L585-V610 HydrophobicContact CG-CG2 4.23Å; G606-V610 WeakPolarHBondContact O-CG2 3.34Å; G606-V610 PolarHBondContact O-N 3.32Å; L607-V610 PolarHBondContact O-N 3.29Å; V610-A612 VanDerWaalsContact C-N 3.3Å; V610-A612 PolarHBondContact O-N 3.12Å; V610-S613 WeakPolarHBondContact O-CB 3.46Å; V610-S613 PolarHBondContact O-N 2.62Å; V610-S613 VanDerWaalsContact O-N 3.17Å; V610-L614 HydrophobicContact CG1-CD1 3.77Å; V610-L614 HydrophobicContact CG1-CG 4.16Å; V610-L614 WeakPolarHBondContact O-CG 3.38Å; V610-L614 PolarHBondContact O-N 2.99Å
611K95.2Very high94.4Very high96 Ų9639.4 Ų39.442%0.41719%0.188SC..Hα-helixtrans-58.1-42.8179-174.7177.5179.1-178.60112P570 V572 L607 R608 C609 L615P570-K611 HydrophobicContact CB-CB 3.89Å; P570-K611 HydrophobicContact CB-CD 4.37Å; P570-K611 HydrophobicContact CB-CG 4.26Å; P570-K611 HydrophobicContact CG-CB 4.06Å; V572-K611 HydrophobicContact CG1-CG 3.72Å; L607-K611 PolarHBondContact O-N 2.8Å; R608-K611 WeakPolarHBondContact O-CB 3.39Å; R608-K611 PolarHBondContact O-N 3.07Å; C609-K611 VanDerWaalsContact C-N 3.34Å; C609-K611 PolarHBondContact O-N 3.29Å; K611-L615 HydrophobicContact CG-CD1 4.09Å; K611-L615 VanDerWaalsContact O-CG 3.28Å; K611-L615 WeakPolarHBondContact O-CG 3.42Å; K611-L615 PolarHBondContact O-N 3.47Å
612A95Very high94.3Very high20 Ų2039.9 Ų39.917%0.16520%0.196CC..Hα-helixtrans-65.4-42.1176.800000112R608 C609 V610 L615 S616 P621 L624 L627R608-A612 PolarHBondContact O-N 2.92Å; C609-A612 PolarHBondContact O-N 3.22Å; V610-A612 VanDerWaalsContact C-N 3.3Å; V610-A612 PolarHBondContact O-N 3.12Å; A612-L615 PolarHBondContact O-N 3.3Å; A612-S616 PolarHBondContact O-N 3.23Å; A612-P621 HydrophobicContact CB-CG 4.24Å; A612-L624 HydrophobicContact CB-CD2 4.1Å; A612-L627 HydrophobicContact CB-CD1 4.02Å
613S94.8Very high93.9Very high0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-59.1-49.5174.8175.60000112A581 C609 V610 L615 S616A581-S613 WeakPolarHBondContact CA-OG 3.36Å; A581-S613 PolarHBondContact N-OG 2.92Å; C609-S613 PolarHBondContact O-N 3.43Å; V610-S613 WeakPolarHBondContact O-CB 3.46Å; V610-S613 PolarHBondContact O-N 2.62Å; V610-S613 VanDerWaalsContact O-N 3.17Å; S613-L615 PolarHBondContact O-N 3.49Å; S613-L615 VanDerWaalsContact O-N 3.13Å; S613-S616 WeakPolarHBondContact O-CB 3.29Å; S613-S616 PolarHBondContact O-N 3.03Å
614L92.9Very high93.8Very high23 Ų2344.4 Ų44.412%0.1222%0.22CC..Hα-helixtrans-62.8-22.8179.4-65.7175.7000113.9V572 V575 L576 N577 E578 A581 V610V572-L614 HydrophobicContact CG1-CB 4.31Å; V572-L614 HydrophobicContact CG2-CB 4.35Å; V572-L614 HydrophobicContact CG2-CD1 3.95Å; V575-L614 HydrophobicContact CG1-CD2 3.98Å; L576-L614 PolarHBondContact N-O 2.87Å; N577-L614 WeakPolarHBondContact O-CA 3.32Å; E578-L614 HydrophobicContact CG-CD2 4.25Å; A581-L614 HydrophobicContact CB-CD2 4.13Å; V610-L614 HydrophobicContact CG1-CD1 3.77Å; V610-L614 HydrophobicContact CG1-CG 4.16Å; V610-L614 WeakPolarHBondContact O-CG 3.38Å; V610-L614 PolarHBondContact O-N 2.99Å
615L93.3Very high93.3Very high84 Ų8442.6 Ų42.644%0.4422%0.217SC..THydrogen-bonded Turntrans-96.84.9177.9-67.4173.4000113.1V572 L576 K611 A612 S613V572-L615 HydrophobicContact CB-CD2 4.39Å; V572-L615 HydrophobicContact CG1-CD1 4.41Å; V572-L615 HydrophobicContact CG1-CD2 4.25Å; V572-L615 HydrophobicContact CG1-CG 4.09Å; L576-L615 VanDerWaalsContact CD1-O 3.28Å; L576-L615 WeakPolarHBondContact CD1-O 3.43Å; K611-L615 HydrophobicContact CG-CD1 4.09Å; K611-L615 VanDerWaalsContact O-CG 3.28Å; K611-L615 WeakPolarHBondContact O-CG 3.42Å; K611-L615 PolarHBondContact O-N 3.47Å; A612-L615 PolarHBondContact O-N 3.3Å; S613-L615 PolarHBondContact O-N 3.49Å; S613-L615 VanDerWaalsContact O-N 3.13Å
616S92Very high92.9Very high21 Ų2145.3 Ų45.315%0.14724%0.236CC..  trans-107.8150.5179.8-178.10000111L576 N577 A612 S613 S618L576-S616 WeakPolarHBondContact CB-O 3.34Å; N577-S616 WeakPolarHBondContact CB-O 3.34Å; A612-S616 PolarHBondContact O-N 3.23Å; S613-S616 WeakPolarHBondContact O-CB 3.29Å; S613-S616 PolarHBondContact O-N 3.03Å; S616-S618 PolarHBondContact OG-N 3.26Å; S616-S618 VanDerWaalsContact OG-N 3.1Å; S616-S618 PolarHBondContact OG-O 3.13Å
617H86.9Confident92.5Very high145 Ų14546.6 Ų46.667%0.67124%0.242SC*.SBendtrans-78.2-30.3166.8-71.9-68.9000111.8N577N577-H617 PolarHBondContact ND2-O 3.33Å
618S88.9Confident91.7Very high48 Ų4850.2 Ų50.234%0.33626%0.257SS..SBendtrans-79.6142.1179.2-57.40000111.1S616 I620S616-S618 PolarHBondContact OG-N 3.26Å; S616-S618 VanDerWaalsContact OG-N 3.1Å; S616-S618 PolarHBondContact OG-O 3.13Å; S618-I620 WeakPolarHBondContact CB-O 3.49Å; S618-I620 PolarHBondContact O-N 3.25Å; S618-I620 VanDerWaalsContact O-N 3.17Å
619T91.9Very high89.8Confident3 Ų355.5 Ų55.52%0.01828%0.283CS..SBendtrans-49.1-42.8174.7-47.80000111.6T348 F349 N355T348-T619 WeakPolarHBondContact CG2-OG1 3.48Å; T348-T619 PolarHBondContact OG1-OG1 2.99Å; F349-T619 PolarHBondContact O-OG1 3.39Å; N355-T619 WeakPolarHBondContact OD1-CG2 3.3Å
620I95.9Very high89.4Confident6 Ų658.3 Ų58.33%0.03130%0.297CS..SBendtrans-119.4119.5174.2-52.6-59.6000108.4N355 D358 A359 D583 S618 L624N355-I620 HydrophobicContact CB-CD1 3.83Å; N355-I620 HydrophobicContact CB-CG1 4.27Å; N355-I620 WeakPolarHBondContact O-CD1 3.38Å; D358-I620 HydrophobicContact CB-CG1 4.2Å; D358-I620 HydrophobicContact CB-CG2 4.32Å; A359-I620 HydrophobicContact CB-CD1 4.38Å; A359-I620 HydrophobicContact CB-CG2 3.9Å; D583-I620 HydrophobicContact CB-CD1 4.43Å; S618-I620 WeakPolarHBondContact CB-O 3.49Å; S618-I620 PolarHBondContact O-N 3.25Å; S618-I620 VanDerWaalsContact O-N 3.17Å; I620-L624 HydrophobicContact CG2-CD1 3.86Å
621P93.9Very high89.1Confident2 Ų260.4 Ų60.41%0.01331%0.307CS..  trans-62.8140179-20.130.2000112.3R362 A612 D623 L624R362-P621 WeakPolarHBondContact CD-O 3.41Å; A612-P621 HydrophobicContact CB-CG 4.24Å; P621-D623 VanDerWaalsContact C-N 3.3Å; P621-D623 PolarHBondContact O-N 2.98Å; P621-L624 HydrophobicContact CB-CD2 4.33Å; P621-L624 HydrophobicContact CB-CG 4.12Å; P621-L624 HydrophobicContact CG-CD2 4.15Å; P621-L624 HydrophobicContact CG-CG 4.3Å
622E91.1Very high88.7Confident139 Ų13958.4 Ų58.465%0.6530%0.301SS*.THydrogen-bonded Turntrans-70.5-28.3-175.9-64.5-173.117300113.6R362R362-E622 VanDerWaalsContact NH1-CA 3.27Å; R362-E622 PolarHBondContact NH1-O 3.44Å
623D88.4Confident88.4Confident93 Ų9360.7 Ų60.750%0.49731%0.309SS..THydrogen-bonded Turntrans-103.119.9-169.969.1-30.1000113.7P621 S625 T626P621-D623 VanDerWaalsContact C-N 3.3Å; P621-D623 PolarHBondContact O-N 2.98Å; D623-S625 PolarHBondContact O-N 3.46Å; D623-T626 HydrophobicContact CB-CG2 4.14Å; D623-T626 WeakPolarHBondContact O-CB 3.36Å; D623-T626 WeakPolarHBondContact O-CG2 3.43Å; D623-T626 PolarHBondContact O-N 2.89Å; D623-T626 PolarHBondContact O-OG1 3.09Å
624L92.3Very high87.9Confident1 Ų164.5 Ų64.51%0.00533%0.329CS..G310 helixtrans-50.7-29.5176.7-78.2176.3000113.1A359 R362 L363 C609 A612 I620 P621 T626 L627A359-L624 HydrophobicContact CB-CD1 3.82Å; R362-L624 HydrophobicContact CB-CB 4.16Å; L363-L624 HydrophobicContact CD2-CB 4.17Å; L363-L624 HydrophobicContact CG-CB 4.38Å; C609-L624 HydrophobicContact CB-CD2 4.36Å; A612-L624 HydrophobicContact CB-CD2 4.1Å; I620-L624 HydrophobicContact CG2-CD1 3.86Å; P621-L624 HydrophobicContact CB-CD2 4.33Å; P621-L624 HydrophobicContact CB-CG 4.12Å; P621-L624 HydrophobicContact CG-CD2 4.15Å; P621-L624 HydrophobicContact CG-CG 4.3Å; L624-T626 PolarHBondContact O-N 3.03Å; L624-T626 VanDerWaalsContact O-N 3.15Å; L624-L627 HydrophobicContact CD2-CD1 3.93Å; L624-L627 WeakPolarHBondContact O-CB 3.38Å; L624-L627 PolarHBondContact O-N 3.45Å; L624-L627 VanDerWaalsContact O-N 3.13Å
625S87.2Confident87.6Confident54 Ų5467.3 Ų67.338%0.37834%0.342SS..G310 helixtrans-55.8-28.1175.866.80000114R362 D623 L627 K628R362-S625 VanDerWaalsContact O-CB 3.24Å; R362-S625 WeakPolarHBondContact O-CB 3.38Å; D623-S625 PolarHBondContact O-N 3.46Å; S625-L627 PolarHBondContact O-N 2.93Å; S625-K628 WeakPolarHBondContact O-CB 3.36Å; S625-K628 VanDerWaalsContact O-CE 3.28Å; S625-K628 WeakPolarHBondContact O-CE 3.4Å; S625-K628 WeakPolarHBondContact O-CG 3.47Å; S625-K628 PolarHBondContact O-N 3.1Å
626T87.8Confident87.2Confident74 Ų7466.1 Ų66.145%0.45434%0.336SS..G310 helixtrans-67-24.6-179.663.60000112.7D623 L624 K628D623-T626 HydrophobicContact CB-CG2 4.14Å; D623-T626 WeakPolarHBondContact O-CB 3.36Å; D623-T626 WeakPolarHBondContact O-CG2 3.43Å; D623-T626 PolarHBondContact O-N 2.89Å; D623-T626 PolarHBondContact O-OG1 3.09Å; L624-T626 PolarHBondContact O-N 3.03Å; L624-T626 VanDerWaalsContact O-N 3.15Å; T626-K628 PolarHBondContact O-N 3.26Å
627L89Confident86.8Confident27 Ų2769.5 Ų69.514%0.14135%0.35CS..G310 helixtrans-72.4-15.5-179.1-60.8178.3000113.5F605 R608 A612 L624 S625 K629F605-L627 HydrophobicContact CE2-CB 4.24Å; F605-L627 VanDerWaalsContact CE2-O 3.27Å; F605-L627 WeakPolarHBondContact CE2-O 3.48Å; F605-L627 HydrophobicContact CZ-CB 4.12Å; R608-L627 HydrophobicContact CB-CD1 4.48Å; R608-L627 PolarHBondContact NH1-O 3.38Å; R608-L627 PolarHBondContact NH2-O 3.37Å; A612-L627 HydrophobicContact CB-CD1 4.02Å; L624-L627 HydrophobicContact CD2-CD1 3.93Å; L624-L627 WeakPolarHBondContact O-CB 3.38Å; L624-L627 PolarHBondContact O-N 3.45Å; L624-L627 VanDerWaalsContact O-N 3.13Å; S625-L627 PolarHBondContact O-N 2.93Å; L627-K629 PolarHBondContact O-N 3Å; L627-K629 VanDerWaalsContact O-OXT 3.11Å
628K79.6Confident86.8Confident90 Ų9063.3 Ų63.339%0.39132%0.323SS..G310 helixtrans-68.1-21.8179.6-64-172.5-72.3-169.60113.7L363 Y591 S625 T626L363-K628 HydrophobicContact CD2-CG 4.4Å; L363-K628 WeakPolarHBondContact O-CD 3.47Å; L363-K628 WeakPolarHBondContact O-CE 3.17Å; L363-K628 PolarHBondContact O-NZ 3.17Å; Y591-K628 HydrophobicContact CE1-CG 4.31Å; Y591-K628 HydrophobicContact CE2-CD 4.07Å; S625-K628 WeakPolarHBondContact O-CB 3.36Å; S625-K628 VanDerWaalsContact O-CE 3.28Å; S625-K628 WeakPolarHBondContact O-CE 3.4Å; S625-K628 WeakPolarHBondContact O-CG 3.47Å; S625-K628 PolarHBondContact O-N 3.1Å; T626-K628 PolarHBondContact O-N 3.26Å
629K56.1Low86.6Confident222 Ų22264.6 Ų64.697%0.96532%0.322SS*.  trans-73.20170.4-60.5179.4-178.1178.40109.7R608 L627R608-K629 PolarHBondContact NH2-OXT 2.93Å; L627-K629 PolarHBondContact O-N 3Å; L627-K629 VanDerWaalsContact O-OXT 3.11Å

Retrieved 629 of 629 residues in 729.5 ms (Link to these results)

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