G4VHB6_SCHMA Loading...

Histone-lysine N-methyltransferase

AlphaFold DB , UniProt , Accession G4VHB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 586 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.8Very low43Very low239 Ų239105.9 Ų105.9100%1.17763%0.627SS**  0112.80-66.6-179.2-171.600106.1S3M1-S3 PolarHBondContact O-N 3.17Å; M1-S3 VanDerWaalsContact O-N 3.14Å
2A44.1Very low43.1Very low67 Ų67107.5 Ų107.555%0.55464%0.638SS**  trans-66.7111.4175.600000107.7T4 F31A2-T4 PolarHBondContact O-N 3.37Å; A2-T4 VanDerWaalsContact O-N 3.09Å; A2-F31 HydrophobicContact CB-CD2 3.59Å; A2-F31 HydrophobicContact CB-CE2 3.5Å; A2-F31 VanDerWaalsContact CB-CE2 3.5Å
3S46.2Very low43.8Very low75 Ų75101.3 Ų101.352%0.52460%0.601SS.*  trans-70.7100.6175.836.90000108.7M1 F5M1-S3 PolarHBondContact O-N 3.17Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-F5 PolarHBondContact O-N 2.98Å
4T42.4Very low44.7Very low107 Ų107103.4 Ų103.466%0.65660%0.602SS**EExtended strand (participates in β ladder)trans-65.3118.6170-48.10000108.4A2A2-T4 PolarHBondContact O-N 3.37Å; A2-T4 VanDerWaalsContact O-N 3.09Å
5F45.3Very low45.5Very low112 Ų112101.5 Ų101.549%0.49159%0.594SS.*EExtended strand (participates in β ladder)trans-101.4117.9179.6-145.9-94.2000108.6S3 F7 F31S3-F5 PolarHBondContact O-N 2.98Å; F5-F7 HydrophobicContact CD1-CD2 4.15Å; F5-F7 AromaticContact CD1-CE2 3.97Å; F5-F7 HydrophobicContact CD1-CE2 3.97Å; F5-F7 HydrophobicContact CE1-CE2 4.27Å; F5-F7 HydrophobicContact CE1-CZ 4.44Å; F5-F31 PolarHBondContact N-O 3.37Å
6S44.8Very low46.2Very low87 Ų87101 Ų10161%0.60859%0.588SS**PPolyproline II helixtrans-102.8118.117364.80000109.4S8S6-S8 PolarHBondContact O-N 2.89Å; S6-S8 VanDerWaalsContact O-N 3.08Å
7F44.1Very low47.3Very low61 Ų6197.9 Ų97.927%0.26857%0.573SS.*  trans-75.594.6163.7-79.5-97.6000107.9F5 A10 V13 T36F5-F7 HydrophobicContact CD1-CD2 4.15Å; F5-F7 AromaticContact CD1-CE2 3.97Å; F5-F7 HydrophobicContact CD1-CE2 3.97Å; F5-F7 HydrophobicContact CE1-CE2 4.27Å; F5-F7 HydrophobicContact CE1-CZ 4.44Å; F7-A10 HydrophobicContact CD1-CB 3.57Å; F7-A10 HydrophobicContact CE1-CB 4.27Å; F7-V13 HydrophobicContact CD1-CG2 4.37Å; F7-V13 HydrophobicContact CE1-CG2 4.14Å; F7-T36 HydrophobicContact CB-CG2 4.04Å; F7-T36 HydrophobicContact CD2-CG2 3.46Å; F7-T36 VanDerWaalsContact CD2-CG2 3.46Å; F7-T36 HydrophobicContact CE2-CG2 4.33Å; F7-T36 HydrophobicContact CG-CG2 4.14Å; F7-T36 PolarHBondContact N-OG1 3.27Å; F7-T36 VanDerWaalsContact N-OG1 3.12Å
8S46.5Very low48.3Very low97 Ų9792.5 Ų92.568%0.67854%0.541SS*.  trans-51.8133.9153.5174.10000107S6 A10S6-S8 PolarHBondContact O-N 2.89Å; S6-S8 VanDerWaalsContact O-N 3.08Å; S8-A10 VanDerWaalsContact C-N 3.33Å; S8-A10 WeakPolarHBondContact O-CA 3.48Å; S8-A10 PolarHBondContact O-N 3.28Å
9P40.2Very low49.1Very low101 Ų10192.2 Ų92.266%0.65653%0.53SS*.  trans-4896.2-154.214.2-28.5000110.9L11P9-L11 PolarHBondContact O-N 3.4Å
10A38.4Very low50.2Low44 Ų4491.3 Ų91.336%0.36452%0.523SS..  trans-78100-171.500000106.2F7 S8 V12 V13F7-A10 HydrophobicContact CD1-CB 3.57Å; F7-A10 HydrophobicContact CE1-CB 4.27Å; S8-A10 VanDerWaalsContact C-N 3.33Å; S8-A10 WeakPolarHBondContact O-CA 3.48Å; S8-A10 PolarHBondContact O-N 3.28Å; A10-V12 PolarHBondContact O-N 3.48Å; A10-V13 HydrophobicContact CB-CG2 4.15Å
11L42.5Very low51.3Low175 Ų17587.4 Ų87.492%0.91650%0.501SS*.SBendtrans-51.9-16.4175.2-87.8147.3000113P9P9-L11 PolarHBondContact O-N 3.4Å
12V43.9Very low52.8Low125 Ų12576.7 Ų76.776%0.75845%0.449SS*.  trans-142.7103.1177.3-169.60000109.7A10A10-V12 PolarHBondContact O-N 3.48Å
13V52.5Low54.2Low27 Ų2779.2 Ų79.216%0.16445%0.447CS..  trans-100124.4157.7179.60000106.2F7 A10 C17 L18 L40F7-V13 HydrophobicContact CD1-CG2 4.37Å; F7-V13 HydrophobicContact CE1-CG2 4.14Å; A10-V13 HydrophobicContact CB-CG2 4.15Å; V13-C17 HydrophobicContact CG1-CB 3.87Å; V13-L18 HydrophobicContact CB-CD1 3.88Å; V13-L18 HydrophobicContact CG1-CB 4.25Å; V13-L18 HydrophobicContact CG1-CD1 3.88Å; V13-L18 HydrophobicContact CG1-CG 4.41Å; V13-L40 HydrophobicContact CG1-CD2 4.42Å; V13-L40 HydrophobicContact CG2-CD2 4.1Å
14E55.7Low55.5Low130 Ų13078.6 Ų78.661%0.60744%0.438SS*.  trans-53136.3176.2-84.5-164.6161.100110.1D16 C17 L18E14-D16 PolarHBondContact O-N 3.42Å; E14-D16 VanDerWaalsContact O-N 3.1Å; E14-C17 HydrophobicContact CB-CB 4.37Å; E14-C17 WeakPolarHBondContact O-CB 3.16Å; E14-C17 PolarHBondContact O-N 3.39Å; E14-L18 PolarHBondContact O-N 3.05Å
15P56.5Low56.9Low75 Ų7574.1 Ų74.149%0.48741%0.41SS..Hα-helixtrans-51.5-37-178.1-2733.5000113.6L18 R19P15-L18 PolarHBondContact O-N 2.87Å; P15-R19 PolarHBondContact O-N 3.39Å
16D57.5Low58.3Low94 Ų9474.6 Ų74.650%0.50341%0.412SS..Hα-helixtrans-71.8-32.6-179.8-67.2-28.6000112.8E14 R19 N20E14-D16 PolarHBondContact O-N 3.42Å; E14-D16 VanDerWaalsContact O-N 3.1Å; D16-R19 IonicContact OD1-NH1 3.58Å; D16-N20 PolarHBondContact O-N 3.32Å; D16-N20 PolarHBondContact O-ND2 2.76Å
17C64.4Low59.9Low48 Ų4876.1 Ų76.132%0.32441%0.41SS..Hα-helixtrans-66.6-39.3172.8-71.50000111.3V13 E14 N20 I21V13-C17 HydrophobicContact CG1-CB 3.87Å; E14-C17 HydrophobicContact CB-CB 4.37Å; E14-C17 WeakPolarHBondContact O-CB 3.16Å; E14-C17 PolarHBondContact O-N 3.39Å; C17-N20 CarbonylContact O-C 3.32Å; C17-N20 PolarHBondContact O-N 3.12Å; C17-I21 VanDerWaalsContact O-CA 3.23Å; C17-I21 WeakPolarHBondContact O-CA 3.34Å; C17-I21 VanDerWaalsContact O-CB 3.26Å; C17-I21 WeakPolarHBondContact O-CB 3.49Å; C17-I21 PolarHBondContact O-N 3.07Å
18L64.9Low61.4Low1 Ų178 Ų781%0.00542%0.422CS..Hα-helixtrans-67-40.2-177.2-141.2130.5000112.1V13 E14 P15 I21 L40 S43 C44V13-L18 HydrophobicContact CB-CD1 3.88Å; V13-L18 HydrophobicContact CG1-CB 4.25Å; V13-L18 HydrophobicContact CG1-CD1 3.88Å; V13-L18 HydrophobicContact CG1-CG 4.41Å; E14-L18 PolarHBondContact O-N 3.05Å; P15-L18 PolarHBondContact O-N 2.87Å; L18-I21 WeakPolarHBondContact O-CG2 3.32Å; L18-L40 HydrophobicContact CD1-CD2 4.16Å; L18-L40 HydrophobicContact CG-CD2 4.33Å; L18-S43 WeakPolarHBondContact CD1-OG 3.46Å; L18-C44 HydrophobicContact CD2-CB 3.79Å
19R64.3Low62.7Low86 Ų8679.7 Ų79.733%0.32542%0.424SS..Hα-helixtrans-64.5-45.1175.2-73.9-173.2-154.3137.65.1112.3P15 D16 I21 S170P15-R19 PolarHBondContact O-N 3.39Å; D16-R19 IonicContact OD1-NH1 3.58Å; R19-I21 VanDerWaalsContact C-N 3.34Å; R19-S170 PolarHBondContact O-OG 3.32Å
20N70.4Confident64.2Low75 Ų7578 Ų7840%0.40141%0.409SS..Hα-helixtrans-91.87.1-175.4-64-60.7000112.8D16 C17 V22 K23 L24D16-N20 PolarHBondContact O-N 3.32Å; D16-N20 PolarHBondContact O-ND2 2.76Å; C17-N20 CarbonylContact O-C 3.32Å; C17-N20 PolarHBondContact O-N 3.12Å; N20-V22 VanDerWaalsContact C-N 3.27Å; N20-V22 PolarHBondContact O-N 3.33Å; N20-K23 CarbonylContact O-C 3.54Å; N20-K23 WeakPolarHBondContact O-CA 3.29Å; N20-K23 WeakPolarHBondContact O-CB 3.4Å; N20-K23 PolarHBondContact O-N 2.74Å; N20-L24 HydrophobicContact CB-CD1 4Å; N20-L24 HydrophobicContact CB-CG 4.09Å; N20-L24 WeakPolarHBondContact O-CB 3.38Å; N20-L24 WeakPolarHBondContact O-CG 3.49Å; N20-L24 PolarHBondContact O-N 3.49Å
21I73Confident66Low10 Ų1081.8 Ų81.85%0.05142%0.417CS..Hα-helixtrans-57.9-41.8-168.5-162120000112C17 L18 R19 K23 L24 T25 L32 L40 L166C17-I21 VanDerWaalsContact O-CA 3.23Å; C17-I21 WeakPolarHBondContact O-CA 3.34Å; C17-I21 VanDerWaalsContact O-CB 3.26Å; C17-I21 WeakPolarHBondContact O-CB 3.49Å; C17-I21 PolarHBondContact O-N 3.07Å; L18-I21 WeakPolarHBondContact O-CG2 3.32Å; R19-I21 VanDerWaalsContact C-N 3.34Å; I21-K23 VanDerWaalsContact C-N 3.35Å; I21-L24 PolarHBondContact O-N 3Å; I21-T25 WeakPolarHBondContact O-CB 3.15Å; I21-T25 WeakPolarHBondContact O-CG2 3.24Å; I21-T25 PolarHBondContact O-N 2.96Å; I21-T25 PolarHBondContact O-OG1 3.36Å; I21-L32 HydrophobicContact CG1-CD1 4.29Å; I21-L40 HydrophobicContact CD1-CD1 3.44Å; I21-L40 VanDerWaalsContact CD1-CD1 3.44Å; I21-L40 HydrophobicContact CD1-CD2 3.8Å; I21-L40 HydrophobicContact CD1-CG 4.27Å; I21-L40 HydrophobicContact CG1-CD1 3.76Å; I21-L40 HydrophobicContact CG2-CD1 4.43Å; I21-L166 HydrophobicContact CG2-CD2 3.98Å; I21-L166 HydrophobicContact CG2-CG 4.43Å
22V70.6Confident67.5Low13 Ų1375 Ų758%0.07938%0.382CS..Hα-helixtrans-67.8-36.5178.3-1780000111.6N20 T25 K26 E167N20-V22 VanDerWaalsContact C-N 3.27Å; N20-V22 PolarHBondContact O-N 3.33Å; V22-T25 WeakPolarHBondContact CA-OG1 3.38Å; V22-T25 PolarHBondContact O-OG1 2.96Å; V22-K26 HydrophobicContact CG1-CD 4.23Å; V22-K26 WeakPolarHBondContact O-CB 3.35Å; V22-K26 VanDerWaalsContact O-CG 3.25Å; V22-K26 WeakPolarHBondContact O-CG 3.41Å; V22-K26 PolarHBondContact O-N 3.19Å; V22-E167 HydrophobicContact CG1-CB 4.35Å; V22-E167 HydrophobicContact CG1-CG 4.07Å; V22-E167 HydrophobicContact CG2-CB 4.12Å; V22-E167 HydrophobicContact CG2-CG 4.47Å
23K74.8Confident69.3Low120 Ų12070.1 Ų70.152%0.52235%0.353SS..Hα-helixtrans-70.3-46.3176-178.3177.6172.1-178.60110.8N20 I21 T25 K26 E27N20-K23 CarbonylContact O-C 3.54Å; N20-K23 WeakPolarHBondContact O-CA 3.29Å; N20-K23 WeakPolarHBondContact O-CB 3.4Å; N20-K23 PolarHBondContact O-N 2.74Å; I21-K23 VanDerWaalsContact C-N 3.35Å; K23-T25 VanDerWaalsContact C-N 3.35Å; K23-T25 PolarHBondContact O-N 2.87Å; K23-K26 PolarHBondContact O-N 3.32Å; K23-E27 WeakPolarHBondContact CE-OE1 3.39Å; K23-E27 HydrophobicContact CG-CG 4.32Å; K23-E27 IonicContact NZ-OE1 3.35Å; K23-E27 WeakPolarHBondContact O-CB 3.4Å; K23-E27 WeakPolarHBondContact O-CG 2.97Å; K23-E27 PolarHBondContact O-N 3.14Å
24L72.1Confident70.8Confident62 Ų6274.4 Ų74.433%0.32537%0.371SS..Hα-helixtrans-62.5-39.7178.5-72.6167.9000111.7N20 I21 N28N20-L24 HydrophobicContact CB-CD1 4Å; N20-L24 HydrophobicContact CB-CG 4.09Å; N20-L24 WeakPolarHBondContact O-CB 3.38Å; N20-L24 WeakPolarHBondContact O-CG 3.49Å; N20-L24 PolarHBondContact O-N 3.49Å; I21-L24 PolarHBondContact O-N 3Å; L24-N28 VanDerWaalsContact O-CB 3.31Å; L24-N28 WeakPolarHBondContact O-CB 3.31Å; L24-N28 PolarHBondContact O-N 3.01Å; L24-N28 PolarHBondContact O-ND2 2.89Å
25T73Confident72Confident13 Ų1374.4 Ų74.48%0.0837%0.371CS..Hα-helixtrans-68.3-41.7176.952.10000112I21 V22 K23 N29 L30 L32I21-T25 WeakPolarHBondContact O-CB 3.15Å; I21-T25 WeakPolarHBondContact O-CG2 3.24Å; I21-T25 PolarHBondContact O-N 2.96Å; I21-T25 PolarHBondContact O-OG1 3.36Å; V22-T25 WeakPolarHBondContact CA-OG1 3.38Å; V22-T25 PolarHBondContact O-OG1 2.96Å; K23-T25 VanDerWaalsContact C-N 3.35Å; K23-T25 PolarHBondContact O-N 2.87Å; T25-N29 WeakPolarHBondContact O-CA 3.44Å; T25-N29 PolarHBondContact O-N 3.16Å; T25-L30 HydrophobicContact CG2-CB 4.25Å; T25-L30 PolarHBondContact O-N 3.37Å; T25-L32 HydrophobicContact CG2-CD1 3.76Å; T25-L32 HydrophobicContact CG2-CD2 3.71Å; T25-L32 HydrophobicContact CG2-CG 3.59Å
26K74.4Confident73.1Confident123 Ų12370.9 Ų70.954%0.53535%0.349SS..Hα-helixtrans-63.3-47.2173.9-73.2173.4-176.5173.40111.7V22 K23 N28 N29 E167V22-K26 HydrophobicContact CG1-CD 4.23Å; V22-K26 WeakPolarHBondContact O-CB 3.35Å; V22-K26 VanDerWaalsContact O-CG 3.25Å; V22-K26 WeakPolarHBondContact O-CG 3.41Å; V22-K26 PolarHBondContact O-N 3.19Å; K23-K26 PolarHBondContact O-N 3.32Å; K26-N28 VanDerWaalsContact C-N 3.34Å; K26-N28 PolarHBondContact O-N 3.05Å; K26-N29 PolarHBondContact O-N 3.49Å; K26-E167 IonicContact NZ-OE1 2.86Å; K26-E167 PolarHBondContact NZ-OE1 2.92Å; K26-E167 IonicContact NZ-OE2 2.76Å; K26-E167 PolarHBondContact NZ-OE2 3.29Å
27E77.7Confident74.4Confident119 Ų11966.6 Ų66.656%0.55633%0.326SS*.Hα-helixtrans-66.3-33.3-178.7-75.5176.6168.500113.2K23K23-E27 WeakPolarHBondContact CE-OE1 3.39Å; K23-E27 HydrophobicContact CG-CG 4.32Å; K23-E27 IonicContact NZ-OE1 3.35Å; K23-E27 WeakPolarHBondContact O-CB 3.4Å; K23-E27 WeakPolarHBondContact O-CG 2.97Å; K23-E27 PolarHBondContact O-N 3.14Å
28N75.2Confident75.5Confident99 Ų9966.1 Ų66.153%0.52932%0.317SS..THydrogen-bonded Turntrans-102.28.3-177-64.4-83.7000113.7L24 K26 L30L24-N28 VanDerWaalsContact O-CB 3.31Å; L24-N28 WeakPolarHBondContact O-CB 3.31Å; L24-N28 PolarHBondContact O-N 3.01Å; L24-N28 PolarHBondContact O-ND2 2.89Å; K26-N28 VanDerWaalsContact C-N 3.34Å; K26-N28 PolarHBondContact O-N 3.05Å; N28-L30 HydrophobicContact CB-CD1 3.84Å; N28-L30 HydrophobicContact CB-CG 3.78Å; N28-L30 PolarHBondContact O-N 2.51Å
29N74Confident76.4Confident134 Ų13469 Ų6972%0.71734%0.336SS*.THydrogen-bonded Turntrans49.640.8-175.1-70.5-42.8000113.3T25 K26T25-N29 WeakPolarHBondContact O-CA 3.44Å; T25-N29 PolarHBondContact O-N 3.16Å; K26-N29 PolarHBondContact O-N 3.49Å
30L73.2Confident77.3Confident64 Ų6465.1 Ų65.134%0.33532%0.322SS..PPolyproline II helixtrans-91.5136.8179.8-61.7171.3000110.6T25 N28T25-L30 HydrophobicContact CG2-CB 4.25Å; T25-L30 PolarHBondContact O-N 3.37Å; N28-L30 HydrophobicContact CB-CD1 3.84Å; N28-L30 HydrophobicContact CB-CG 3.78Å; N28-L30 PolarHBondContact O-N 2.51Å
31F74.3Confident78.2Confident125 Ų12561.5 Ų61.555%0.54830%0.303SS..EExtended strand (participates in β ladder)trans-99.3119.8173.2-67.6-92.5000109.6A2 F5A2-F31 HydrophobicContact CB-CD2 3.59Å; A2-F31 HydrophobicContact CB-CE2 3.5Å; A2-F31 VanDerWaalsContact CB-CE2 3.5Å; F5-F31 PolarHBondContact N-O 3.37Å
32L75.8Confident78.9Confident33 Ų3364 Ų6417%0.17332%0.316CS..EExtended strand (participates in β ladder)trans-85.8132.9171-59.6179.9000109.1I21 T25 T36 L40 L163I21-L32 HydrophobicContact CG1-CD1 4.29Å; T25-L32 HydrophobicContact CG2-CD1 3.76Å; T25-L32 HydrophobicContact CG2-CD2 3.71Å; T25-L32 HydrophobicContact CG2-CG 3.59Å; L32-T36 HydrophobicContact CB-CG2 4.24Å; L32-T36 HydrophobicContact CD2-CG2 3.86Å; L32-T36 HydrophobicContact CG-CG2 4.46Å; L32-L40 HydrophobicContact CD1-CD1 4.08Å; L32-L163 HydrophobicContact CD1-CD1 4.12Å
33S81.7Confident79.5Confident21 Ų2165.1 Ų65.115%0.14733%0.325CS..PPolyproline II helixtrans-67.2160.3169.583.80000111E35 T36 C37S33-E35 VanDerWaalsContact C-N 3.28Å; S33-E35 WeakPolarHBondContact CB-OE2 3.25Å; S33-E35 PolarHBondContact O-N 2.99Å; S33-E35 PolarHBondContact OG-OE2 3.43Å; S33-T36 WeakPolarHBondContact O-CB 3.27Å; S33-T36 PolarHBondContact O-N 3.39Å; S33-T36 PolarHBondContact OG-N 2.9Å; S33-T36 PolarHBondContact OG-OG1 3.2Å; S33-C37 PolarHBondContact O-N 3.42Å; S33-C37 PolarHBondContact O-SG 3.08Å
34E82.4Confident80Confident117 Ų11759.4 Ų59.455%0.54730%0.3SS..Hα-helixtrans-61-40176.3-70.1-172.1174.100111.5T36 C37 W38 P162E34-T36 VanDerWaalsContact C-N 3.27Å; E34-T36 PolarHBondContact O-N 2.93Å; E34-C37 WeakPolarHBondContact O-CB 3.47Å; E34-C37 PolarHBondContact O-N 3.39Å; E34-C37 VanDerWaalsContact O-N 3.12Å; E34-W38 PolarHBondContact O-N 2.53Å; E34-P162 HydrophobicContact CB-CG 4.34Å; E34-P162 HydrophobicContact CG-CG 4.2Å
35E81.4Confident80.8Confident131 Ų13156.5 Ų56.561%0.61229%0.285SS*.Hα-helixtrans-60.1-41176.9-54.879.9-173.700111S33 W38 C39S33-E35 VanDerWaalsContact C-N 3.28Å; S33-E35 WeakPolarHBondContact CB-OE2 3.25Å; S33-E35 PolarHBondContact O-N 2.99Å; S33-E35 PolarHBondContact OG-OE2 3.43Å; E35-W38 PolarHBondContact O-N 2.87Å; E35-C39 PolarHBondContact O-N 3.22Å; E35-C39 PolarHBondContact O-SG 3.18Å; E35-C39 VanDerWaalsContact O-SG 3.42Å
36T80.7Confident81.3Confident1 Ų158.4 Ų58.41%0.00630%0.299CS..Hα-helixtrans-63.6-42.4176.5-62.50000111.2F7 L32 S33 E34 W38 C39 L40F7-T36 HydrophobicContact CB-CG2 4.04Å; F7-T36 HydrophobicContact CD2-CG2 3.46Å; F7-T36 VanDerWaalsContact CD2-CG2 3.46Å; F7-T36 HydrophobicContact CE2-CG2 4.33Å; F7-T36 HydrophobicContact CG-CG2 4.14Å; F7-T36 PolarHBondContact N-OG1 3.27Å; F7-T36 VanDerWaalsContact N-OG1 3.12Å; L32-T36 HydrophobicContact CB-CG2 4.24Å; L32-T36 HydrophobicContact CD2-CG2 3.86Å; L32-T36 HydrophobicContact CG-CG2 4.46Å; S33-T36 WeakPolarHBondContact O-CB 3.27Å; S33-T36 PolarHBondContact O-N 3.39Å; S33-T36 PolarHBondContact OG-N 2.9Å; S33-T36 PolarHBondContact OG-OG1 3.2Å; E34-T36 VanDerWaalsContact C-N 3.27Å; E34-T36 PolarHBondContact O-N 2.93Å; T36-W38 VanDerWaalsContact C-N 3.34Å; T36-W38 PolarHBondContact O-N 3.17Å; T36-C39 PolarHBondContact O-N 2.92Å; T36-L40 HydrophobicContact CG2-CD1 3.96Å; T36-L40 HydrophobicContact CG2-CG 4.44Å; T36-L40 VanDerWaalsContact O-CG 3.31Å; T36-L40 WeakPolarHBondContact O-CG 3.16Å; T36-L40 PolarHBondContact O-N 3.21Å
37C84.4Confident81.6Confident4 Ų456.5 Ų56.53%0.02729%0.291CS..Hα-helixtrans-61.6-43.3177.6-63.90000111.3S33 E34 L40 L41 P162S33-C37 PolarHBondContact O-N 3.42Å; S33-C37 PolarHBondContact O-SG 3.08Å; E34-C37 WeakPolarHBondContact O-CB 3.47Å; E34-C37 PolarHBondContact O-N 3.39Å; E34-C37 VanDerWaalsContact O-N 3.12Å; C37-L40 PolarHBondContact O-N 2.97Å; C37-L41 VanDerWaalsContact O-CB 3.31Å; C37-L41 WeakPolarHBondContact O-CB 3.47Å; C37-L41 PolarHBondContact O-N 3.23Å; C37-P162 HydrophobicContact CB-CB 3.69Å
38W87.9Confident81.9Confident37 Ų3750.9 Ų50.914%0.1426%0.264CS..Hα-helixtrans-63.3-43.4176.5-71119.6000112.7E34 E35 T36 L40 L41 D42 M148 L151 K152 V155 P162 L165E34-W38 PolarHBondContact O-N 2.53Å; E35-W38 PolarHBondContact O-N 2.87Å; T36-W38 VanDerWaalsContact C-N 3.34Å; T36-W38 PolarHBondContact O-N 3.17Å; W38-L40 PolarHBondContact O-N 2.94Å; W38-L41 HydrophobicContact CE3-CD2 3.92Å; W38-L41 HydrophobicContact CZ3-CD2 3.78Å; W38-L41 PolarHBondContact O-N 3.2Å; W38-D42 PolarHBondContact O-N 2.89Å; W38-M148 HydrophobicContact CB-CE 4.46Å; W38-M148 HydrophobicContact CE3-CE 3.76Å; W38-M148 HydrophobicContact CZ3-CE 4.49Å; W38-M148 WeakPolarHBondContact O-CE 3.29Å; W38-L151 HydrophobicContact CH2-CB 4.14Å; W38-L151 HydrophobicContact CZ3-CB 3.88Å; W38-K152 HydrophobicContact CD2-CG 3.92Å; W38-K152 HydrophobicContact CE3-CG 3.83Å; W38-K152 HydrophobicContact CH2-CB 4.2Å; W38-K152 HydrophobicContact CH2-CG 3.61Å; W38-K152 HydrophobicContact CZ2-CB 4.31Å; W38-K152 HydrophobicContact CZ2-CG 3.68Å; W38-K152 HydrophobicContact CZ3-CG 3.67Å; W38-V155 HydrophobicContact CH2-CB 4.31Å; W38-V155 HydrophobicContact CH2-CG2 3.93Å; W38-V155 HydrophobicContact CZ2-CB 4.23Å; W38-V155 HydrophobicContact CZ2-CG1 4.19Å; W38-V155 HydrophobicContact CZ2-CG2 4.19Å; W38-P162 HydrophobicContact CD2-CB 4.42Å; W38-P162 HydrophobicContact CZ2-CB 4.14Å; W38-P162 HydrophobicContact CZ2-CG 3.8Å; W38-L165 HydrophobicContact CH2-CD1 4.28Å
39C83.2Confident82.2Confident61 Ų6147.2 Ų47.241%0.41225%0.246SC..Hα-helixtrans-62.9-40.6176.6-71.30000112.6E35 T36 S43E35-C39 PolarHBondContact O-N 3.22Å; E35-C39 PolarHBondContact O-SG 3.18Å; E35-C39 VanDerWaalsContact O-SG 3.42Å; T36-C39 PolarHBondContact O-N 2.92Å; C39-S43 PolarHBondContact O-N 3.07Å
40L83.7Confident82.4Confident5 Ų542.2 Ų42.23%0.02622%0.219CC..Hα-helixtrans-68.6-37.8177.3-69.9171.7000111.8V13 L18 I21 L32 T36 C37 W38 S43 C44 L166V13-L40 HydrophobicContact CG1-CD2 4.42Å; V13-L40 HydrophobicContact CG2-CD2 4.1Å; L18-L40 HydrophobicContact CD1-CD2 4.16Å; L18-L40 HydrophobicContact CG-CD2 4.33Å; I21-L40 HydrophobicContact CD1-CD1 3.44Å; I21-L40 VanDerWaalsContact CD1-CD1 3.44Å; I21-L40 HydrophobicContact CD1-CD2 3.8Å; I21-L40 HydrophobicContact CD1-CG 4.27Å; I21-L40 HydrophobicContact CG1-CD1 3.76Å; I21-L40 HydrophobicContact CG2-CD1 4.43Å; L32-L40 HydrophobicContact CD1-CD1 4.08Å; T36-L40 HydrophobicContact CG2-CD1 3.96Å; T36-L40 HydrophobicContact CG2-CG 4.44Å; T36-L40 VanDerWaalsContact O-CG 3.31Å; T36-L40 WeakPolarHBondContact O-CG 3.16Å; T36-L40 PolarHBondContact O-N 3.21Å; C37-L40 PolarHBondContact O-N 2.97Å; W38-L40 PolarHBondContact O-N 2.94Å; L40-S43 PolarHBondContact O-N 2.73Å; L40-C44 VanDerWaalsContact O-CB 3.25Å; L40-C44 WeakPolarHBondContact O-CB 3.18Å; L40-C44 PolarHBondContact O-N 3.41Å; L40-L166 HydrophobicContact CB-CD1 3.9Å; L40-L166 HydrophobicContact CB-CD2 3.82Å; L40-L166 HydrophobicContact CD1-CD2 3.87Å
41L88.2Confident82.3Confident0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-65-43.4177.9-176.160.4000111.5C37 W38 S43 C44 L45 M148 L151 L165 L166 F169C37-L41 VanDerWaalsContact O-CB 3.31Å; C37-L41 WeakPolarHBondContact O-CB 3.47Å; C37-L41 PolarHBondContact O-N 3.23Å; W38-L41 HydrophobicContact CE3-CD2 3.92Å; W38-L41 HydrophobicContact CZ3-CD2 3.78Å; W38-L41 PolarHBondContact O-N 3.2Å; L41-S43 VanDerWaalsContact C-N 3.34Å; L41-S43 PolarHBondContact O-N 3.16Å; L41-C44 WeakPolarHBondContact O-CA 3.28Å; L41-C44 VanDerWaalsContact O-CB 3.32Å; L41-C44 WeakPolarHBondContact O-CB 3.39Å; L41-C44 PolarHBondContact O-N 2.99Å; L41-L45 HydrophobicContact CD1-CG 4.22Å; L41-L45 HydrophobicContact CG-CD1 4.25Å; L41-L45 HydrophobicContact CG-CG 4.37Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3.24Å; L41-M148 HydrophobicContact CB-SD 4.31Å; L41-M148 HydrophobicContact CD2-SD 4.14Å; L41-M148 HydrophobicContact CG-SD 3.92Å; L41-L151 HydrophobicContact CD2-CD1 3.84Å; L41-L165 HydrophobicContact CD2-CB 4.29Å; L41-L166 HydrophobicContact CB-CD1 4.29Å; L41-L166 HydrophobicContact CD1-CD1 4.5Å; L41-F169 HydrophobicContact CD1-CB 3.7Å; L41-F169 HydrophobicContact CD1-CD2 3.66Å; L41-F169 HydrophobicContact CD1-CG 3.85Å
42D87.6Confident82.6Confident61 Ų6142 Ų4233%0.32622%0.215SC..Hα-helixtrans-56.4-47.1174.5-177.175.4000112.2W38 C44 S46 M148W38-D42 PolarHBondContact O-N 2.89Å; D42-C44 VanDerWaalsContact C-N 3.3Å; D42-C44 PolarHBondContact O-N 3.44Å; D42-S46 WeakPolarHBondContact O-CB 3.31Å; D42-S46 PolarHBondContact O-N 2.79Å; D42-S46 PolarHBondContact O-OG 3.2Å; D42-M148 HydrophobicContact CB-CE 3.92Å; D42-M148 HydrophobicContact CB-CG 4.46Å; D42-M148 HydrophobicContact CB-SD 4.19Å
43S84.1Confident83.1Confident38 Ų3840.5 Ų40.527%0.26621%0.208SC..Hα-helixtrans-64.9-34.4175.2-168.20000112.5L18 C39 L40 L41 K47L18-S43 WeakPolarHBondContact CD1-OG 3.46Å; C39-S43 PolarHBondContact O-N 3.07Å; L40-S43 PolarHBondContact O-N 2.73Å; L41-S43 VanDerWaalsContact C-N 3.34Å; L41-S43 PolarHBondContact O-N 3.16Å; S43-K47 WeakPolarHBondContact O-CG 3.5Å
44C85.5Confident83.2Confident0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-68.6-50.6178.4-165.80000111.3L18 L40 L41 D42 S46 K47 I48 L166 Q173L18-C44 HydrophobicContact CD2-CB 3.79Å; L40-C44 VanDerWaalsContact O-CB 3.25Å; L40-C44 WeakPolarHBondContact O-CB 3.18Å; L40-C44 PolarHBondContact O-N 3.41Å; L41-C44 WeakPolarHBondContact O-CA 3.28Å; L41-C44 VanDerWaalsContact O-CB 3.32Å; L41-C44 WeakPolarHBondContact O-CB 3.39Å; L41-C44 PolarHBondContact O-N 2.99Å; D42-C44 VanDerWaalsContact C-N 3.3Å; D42-C44 PolarHBondContact O-N 3.44Å; C44-S46 VanDerWaalsContact C-N 3.28Å; C44-S46 PolarHBondContact O-N 2.78Å; C44-K47 PolarHBondContact O-N 3.26Å; C44-I48 WeakPolarHBondContact O-CG1 3.49Å; C44-I48 PolarHBondContact O-N 3.22Å; C44-I48 VanDerWaalsContact O-N 3.14Å; C44-I48 VanDerWaalsContact SG-CD1 3.58Å; C44-L166 HydrophobicContact CB-CD1 4.48Å; C44-Q173 PolarHBondContact SG-NE2 2.87Å
45L87.3Confident83.1Confident1 Ų140.5 Ų40.51%0.00520%0.204CC..Hα-helixtrans-60.3-37.7178-70.2178.6000112.1L41 K47 I48 T53 V144 V147 M148 L151 F169L41-L45 HydrophobicContact CD1-CG 4.22Å; L41-L45 HydrophobicContact CG-CD1 4.25Å; L41-L45 HydrophobicContact CG-CG 4.37Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3.24Å; L45-K47 PolarHBondContact O-N 3.39Å; L45-K47 VanDerWaalsContact O-N 3.11Å; L45-I48 PolarHBondContact O-N 2.95Å; L45-T53 HydrophobicContact CD2-CG2 3.63Å; L45-V144 HydrophobicContact CB-CG1 3.83Å; L45-V144 HydrophobicContact CB-CG2 4.45Å; L45-V144 HydrophobicContact CD1-CG1 4.49Å; L45-V147 HydrophobicContact CD1-CB 4.44Å; L45-V147 HydrophobicContact CD1-CG1 3.73Å; L45-V147 HydrophobicContact CD2-CG1 4.47Å; L45-M148 HydrophobicContact CD1-CG 3.85Å; L45-M148 HydrophobicContact CD1-SD 3.54Å; L45-M148 VanDerWaalsContact CD1-SD 3.54Å; L45-L151 HydrophobicContact CD1-CD1 4.32Å; L45-F169 HydrophobicContact CD2-CD1 3.39Å; L45-F169 HydrophobicContact CD2-CE1 3.64Å; L45-F169 HydrophobicContact CD2-CG 3.93Å; L45-F169 HydrophobicContact CD2-CZ 4.33Å
46S84.6Confident83.4Confident53 Ų5334.6 Ų34.637%0.37118%0.177SC..THydrogen-bonded Turntrans-60.6-19.6174.7-64.50000113.6D42 C44 R140D42-S46 WeakPolarHBondContact O-CB 3.31Å; D42-S46 PolarHBondContact O-N 2.79Å; D42-S46 PolarHBondContact O-OG 3.2Å; C44-S46 VanDerWaalsContact C-N 3.28Å; C44-S46 PolarHBondContact O-N 2.78Å; S46-R140 PolarHBondContact O-NE 3.18Å; S46-R140 PolarHBondContact O-NH2 3.39Å
47K81Confident83.6Confident83 Ų8334.6 Ų34.636%0.36118%0.177SC..THydrogen-bonded Turntrans-105.2-18.2-179.5-64.5173.6-173.5174.80113.8S43 C44 L45S43-K47 WeakPolarHBondContact O-CG 3.5Å; C44-K47 PolarHBondContact O-N 3.26Å; L45-K47 PolarHBondContact O-N 3.39Å; L45-K47 VanDerWaalsContact O-N 3.11Å
48I84.3Confident83.4Confident0 Ų039.1 Ų39.10%020%0.201CC..SBendtrans-83.9141.9179-64.5159.9000109.2C44 L45 L50 K52 R140 F169 L172 Q173C44-I48 WeakPolarHBondContact O-CG1 3.49Å; C44-I48 PolarHBondContact O-N 3.22Å; C44-I48 VanDerWaalsContact O-N 3.14Å; C44-I48 VanDerWaalsContact SG-CD1 3.58Å; L45-I48 PolarHBondContact O-N 2.95Å; I48-L50 PolarHBondContact O-N 3.46Å; I48-K52 HydrophobicContact CG2-CB 3.9Å; I48-R140 PolarHBondContact O-NH2 2.77Å; I48-F169 HydrophobicContact CD1-CB 4.1Å; I48-F169 HydrophobicContact CD1-CD1 4.38Å; I48-F169 WeakPolarHBondContact CD1-O 3.24Å; I48-L172 HydrophobicContact CD1-CB 4.2Å; I48-L172 HydrophobicContact CG1-CB 4.36Å; I48-L172 HydrophobicContact CG2-CB 4.01Å; I48-L172 HydrophobicContact CG2-CD1 4.39Å; I48-Q173 HydrophobicContact CD1-CG 4.39Å; I48-Q173 HydrophobicContact CG1-CG 3.96Å
49P80.2Confident83.2Confident22 Ų2241.3 Ų41.314%0.14321%0.213CC..  trans-58.2128.3169.4-24.434.3000111.1K51 K52 T53P49-K51 PolarHBondContact O-N 3.34Å; P49-K52 PolarHBondContact O-N 3.11Å; P49-T53 PolarHBondContact O-N 3.39Å
50L78.5Confident83.4Confident30 Ų3038.4 Ų38.416%0.15719%0.193CC..Hα-helixtrans-53-35-175-75.2169.8000113I48 K52 T53 Y54 R140 Q143 V144I48-L50 PolarHBondContact O-N 3.46Å; L50-K52 PolarHBondContact O-N 3.46Å; L50-T53 CarbonylContact O-C 3.59Å; L50-T53 WeakPolarHBondContact O-CA 3.43Å; L50-T53 VanDerWaalsContact O-CB 3.26Å; L50-T53 WeakPolarHBondContact O-CB 3.01Å; L50-T53 PolarHBondContact O-N 3.2Å; L50-Y54 HydrophobicContact CB-CD2 4.36Å; L50-Y54 HydrophobicContact CB-CE2 3.86Å; L50-Y54 WeakPolarHBondContact O-CD2 3.19Å; L50-Y54 PolarHBondContact O-N 3.22Å; L50-R140 HydrophobicContact CD1-CG 4.44Å; L50-Q143 HydrophobicContact CD1-CB 4.24Å; L50-Q143 HydrophobicContact CD2-CB 4.2Å; L50-V144 HydrophobicContact CD2-CG2 4.27Å
51K71.1Confident83.3Confident103 Ų10340.2 Ų40.245%0.44820%0.199SC..Hα-helixtrans-58.6-45.5174.9-176.4-179.4177.8-176.20112.8P49 T53 Y54 Q55P49-K51 PolarHBondContact O-N 3.34Å; K51-T53 VanDerWaalsContact C-N 3.29Å; K51-T53 PolarHBondContact O-N 2.98Å; K51-Y54 PolarHBondContact O-N 3.19Å; K51-Q55 HydrophobicContact CG-CG 4.42Å; K51-Q55 WeakPolarHBondContact O-CB 3.36Å; K51-Q55 VanDerWaalsContact O-CG 3.24Å; K51-Q55 WeakPolarHBondContact O-CG 3.33Å; K51-Q55 PolarHBondContact O-N 3.13Å
52K81.9Confident82.8Confident81 Ų8144.4 Ų44.435%0.35223%0.229SC..Hα-helixtrans-65.4-37.9177.1-71-171.1177.4-179.60110.7I48 P49 L50 L56 L172I48-K52 HydrophobicContact CG2-CB 3.9Å; P49-K52 PolarHBondContact O-N 3.11Å; L50-K52 PolarHBondContact O-N 3.46Å; K52-L56 WeakPolarHBondContact O-CB 3.37Å; K52-L56 PolarHBondContact O-N 3.44Å; K52-L172 HydrophobicContact CB-CD1 4.24Å
53T86.2Confident82.6Confident2 Ų244.8 Ų44.81%0.01223%0.233CC..Hα-helixtrans-57.6-51.1172.2-61.20000111L45 P49 L50 K51 L56 L57 V147 F169L45-T53 HydrophobicContact CD2-CG2 3.63Å; P49-T53 PolarHBondContact O-N 3.39Å; L50-T53 CarbonylContact O-C 3.59Å; L50-T53 WeakPolarHBondContact O-CA 3.43Å; L50-T53 VanDerWaalsContact O-CB 3.26Å; L50-T53 WeakPolarHBondContact O-CB 3.01Å; L50-T53 PolarHBondContact O-N 3.2Å; K51-T53 VanDerWaalsContact C-N 3.29Å; K51-T53 PolarHBondContact O-N 2.98Å; T53-L56 PolarHBondContact O-N 2.92Å; T53-L57 HydrophobicContact CG2-CD1 4.21Å; T53-L57 WeakPolarHBondContact O-CG 3.17Å; T53-L57 PolarHBondContact O-N 3.2Å; T53-V147 HydrophobicContact CG2-CG1 3.88Å; T53-V147 HydrophobicContact CG2-CG2 4.12Å; T53-F169 HydrophobicContact CG2-CE1 3.88Å
54Y82.7Confident82.4Confident28 Ų2849 Ų4911%0.1125%0.249CC..Hα-helixtrans-67.2-38.4-179.3-60.9-38.7000113.4L50 K51 L57 D58 P99 V101 F102 V147L50-Y54 HydrophobicContact CB-CD2 4.36Å; L50-Y54 HydrophobicContact CB-CE2 3.86Å; L50-Y54 WeakPolarHBondContact O-CD2 3.19Å; L50-Y54 PolarHBondContact O-N 3.22Å; K51-Y54 PolarHBondContact O-N 3.19Å; Y54-L57 HydrophobicContact CD1-CD1 4.13Å; Y54-L57 PolarHBondContact O-N 2.65Å; Y54-D58 WeakPolarHBondContact O-CB 3.06Å; Y54-D58 PolarHBondContact O-N 2.73Å; Y54-P99 HydrophobicContact CD1-CB 4.33Å; Y54-P99 HydrophobicContact CE1-CB 3.53Å; Y54-P99 HydrophobicContact CE1-CG 3.8Å; Y54-V101 HydrophobicContact CD1-CG1 3.81Å; Y54-V101 HydrophobicContact CD2-CB 4.19Å; Y54-V101 HydrophobicContact CD2-CG1 3.91Å; Y54-V101 HydrophobicContact CD2-CG2 4.44Å; Y54-V101 HydrophobicContact CE1-CG1 4.25Å; Y54-V101 HydrophobicContact CE2-CG1 4.32Å; Y54-V101 HydrophobicContact CG-CB 4.38Å; Y54-V101 HydrophobicContact CG-CG1 3.65Å; Y54-F102 HydrophobicContact CD1-CE2 4.29Å; Y54-V147 HydrophobicContact CD1-CG2 4.3Å; Y54-V147 HydrophobicContact CE1-CG2 3.69Å
55Q80.6Confident82.3Confident109 Ų10951.6 Ų51.651%0.50926%0.261SS..Hα-helixtrans-61.8-43.5174.7-75.9175.1-34.100111.9K51 D58 E59K51-Q55 HydrophobicContact CG-CG 4.42Å; K51-Q55 WeakPolarHBondContact O-CB 3.36Å; K51-Q55 VanDerWaalsContact O-CG 3.24Å; K51-Q55 WeakPolarHBondContact O-CG 3.33Å; K51-Q55 PolarHBondContact O-N 3.13Å; Q55-D58 PolarHBondContact O-N 3.24Å; Q55-E59 PolarHBondContact O-N 3.42Å
56L87.9Confident82.1Confident7 Ų751.8 Ų51.84%0.03726%0.262CS..Hα-helixtrans-68.9-37.2176.2178.361.7000111.5K52 T53 E59 L60 R168 F169 L172K52-L56 WeakPolarHBondContact O-CB 3.37Å; K52-L56 PolarHBondContact O-N 3.44Å; T53-L56 PolarHBondContact O-N 2.92Å; L56-E59 WeakPolarHBondContact O-CB 3.42Å; L56-E59 PolarHBondContact O-N 3.14Å; L56-L60 HydrophobicContact CD1-CD1 4.39Å; L56-L60 HydrophobicContact CD1-CG 4.16Å; L56-L60 HydrophobicContact CG-CD1 4.06Å; L56-L60 HydrophobicContact CG-CG 4.31Å; L56-L60 WeakPolarHBondContact O-CB 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 2.76Å; L56-R168 HydrophobicContact CD2-CB 4.04Å; L56-F169 HydrophobicContact CB-CE1 4.3Å; L56-F169 HydrophobicContact CD2-CD1 3.69Å; L56-F169 HydrophobicContact CD2-CD2 4.16Å; L56-F169 HydrophobicContact CD2-CE1 3.7Å; L56-F169 HydrophobicContact CD2-CE2 4.18Å; L56-F169 HydrophobicContact CD2-CG 3.92Å; L56-F169 HydrophobicContact CD2-CZ 3.95Å; L56-F169 HydrophobicContact CG-CE1 4.24Å; L56-F169 HydrophobicContact CG-CZ 4.27Å; L56-L172 HydrophobicContact CB-CD1 3.86Å; L56-L172 HydrophobicContact CD2-CD1 3.52Å; L56-L172 HydrophobicContact CD2-CG 4.23Å; L56-L172 HydrophobicContact CG-CD1 4.3Å
57L85.5Confident81.7Confident2 Ų255.3 Ų55.31%0.0127%0.267CS..Hα-helixtrans-60.7-45.5173.5-73.6170000111.8T53 Y54 E59 L60 Y61 F102 V147 L151 F169T53-L57 HydrophobicContact CG2-CD1 4.21Å; T53-L57 WeakPolarHBondContact O-CG 3.17Å; T53-L57 PolarHBondContact O-N 3.2Å; Y54-L57 HydrophobicContact CD1-CD1 4.13Å; Y54-L57 PolarHBondContact O-N 2.65Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 3.34Å; L57-L60 PolarHBondContact O-N 3.29Å; L57-Y61 HydrophobicContact CB-CD2 4.48Å; L57-Y61 HydrophobicContact CB-CE2 4.26Å; L57-Y61 WeakPolarHBondContact O-CD2 3.24Å; L57-Y61 PolarHBondContact O-N 3.43Å; L57-F102 HydrophobicContact CB-CZ 3.81Å; L57-F102 HydrophobicContact CD1-CE2 4.21Å; L57-F102 HydrophobicContact CD1-CZ 4.27Å; L57-V147 HydrophobicContact CD1-CB 4.4Å; L57-V147 HydrophobicContact CD1-CG1 3.76Å; L57-V147 HydrophobicContact CD1-CG2 3.89Å; L57-V147 HydrophobicContact CD2-CG1 4.43Å; L57-L151 HydrophobicContact CD2-CD2 3.46Å; L57-L151 VanDerWaalsContact CD2-CD2 3.46Å; L57-L151 HydrophobicContact CD2-CG 4.07Å; L57-F169 HydrophobicContact CD2-CZ 3.97Å; L57-F169 HydrophobicContact CG-CZ 4.15Å
58D78.9Confident81.3Confident99 Ų9953.1 Ų53.153%0.52926%0.258SS..Hα-helixtrans-60.9-41.3176.3-171.151.3000111.7Y54 Q55 Y61 S62Y54-D58 WeakPolarHBondContact O-CB 3.06Å; Y54-D58 PolarHBondContact O-N 2.73Å; Q55-D58 PolarHBondContact O-N 3.24Å; D58-Y61 PolarHBondContact O-N 3.09Å; D58-S62 VanDerWaalsContact O-CB 3.28Å; D58-S62 WeakPolarHBondContact O-CB 3.36Å; D58-S62 PolarHBondContact O-N 3.34Å; D58-S62 PolarHBondContact O-OG 3.15Å
59E84.7Confident80.7Confident83 Ų8356.5 Ų56.539%0.38828%0.28SS..Hα-helixtrans-59.1-48.3171.1-173.8-169.9154.300111.6Q55 L56 L57 Y61 S62 T63 R168Q55-E59 PolarHBondContact O-N 3.42Å; L56-E59 WeakPolarHBondContact O-CB 3.42Å; L56-E59 PolarHBondContact O-N 3.14Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 3.34Å; E59-Y61 VanDerWaalsContact C-N 3.33Å; E59-Y61 PolarHBondContact O-N 2.96Å; E59-S62 WeakPolarHBondContact CA-OG 3.31Å; E59-S62 PolarHBondContact O-N 2.96Å; E59-S62 PolarHBondContact O-OG 2.9Å; E59-T63 HydrophobicContact CG-CG2 4.44Å; E59-T63 WeakPolarHBondContact O-CB 3.5Å; E59-T63 VanDerWaalsContact O-CG2 3.31Å; E59-T63 WeakPolarHBondContact O-CG2 3.28Å; E59-T63 PolarHBondContact O-N 3.17Å; E59-T63 PolarHBondContact O-OG1 3Å; E59-R168 IonicContact OE1-CZ 2.71Å; E59-R168 IonicContact OE1-NH2 2.69Å; E59-R168 PolarHBondContact OE1-NH2 3.12Å; E59-R168 IonicContact OE2-NH2 2.94Å
60L86.9Confident80.1Confident0 Ų065 Ų650%032%0.317CS..Hα-helixtrans-65.6-33.9-178.5-70171.3000112.8L56 L57 T63 E65 L66 L165 F169L56-L60 HydrophobicContact CD1-CD1 4.39Å; L56-L60 HydrophobicContact CD1-CG 4.16Å; L56-L60 HydrophobicContact CG-CD1 4.06Å; L56-L60 HydrophobicContact CG-CG 4.31Å; L56-L60 WeakPolarHBondContact O-CB 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 2.76Å; L57-L60 PolarHBondContact O-N 3.29Å; L60-T63 PolarHBondContact O-OG1 2.81Å; L60-E65 HydrophobicContact CD2-CB 3.99Å; L60-E65 VanDerWaalsContact CD2-OE2 3.29Å; L60-E65 WeakPolarHBondContact CD2-OE2 3.48Å; L60-E65 PolarHBondContact O-N 2.75Å; L60-L66 HydrophobicContact CB-CB 4.46Å; L60-L66 HydrophobicContact CB-CD1 3.87Å; L60-L66 HydrophobicContact CB-CG 4.04Å; L60-L66 HydrophobicContact CD1-CD1 3.95Å; L60-L66 PolarHBondContact O-N 3.13Å; L60-L165 HydrophobicContact CD1-CD2 4Å; L60-F169 HydrophobicContact CD1-CE2 4.25Å; L60-F169 HydrophobicContact CD1-CZ 4.44Å
61Y82.6Confident79.5Confident42 Ų4267.1 Ų67.117%0.16535%0.347CS..Hα-helixtrans-75.4-43.1174.4-69.8-52.3000112.1L57 D58 E59 T63 E64 L66 F68 W98 F102 A154L57-Y61 HydrophobicContact CB-CD2 4.48Å; L57-Y61 HydrophobicContact CB-CE2 4.26Å; L57-Y61 WeakPolarHBondContact O-CD2 3.24Å; L57-Y61 PolarHBondContact O-N 3.43Å; D58-Y61 PolarHBondContact O-N 3.09Å; E59-Y61 VanDerWaalsContact C-N 3.33Å; E59-Y61 PolarHBondContact O-N 2.96Å; Y61-T63 VanDerWaalsContact C-N 3.31Å; Y61-T63 PolarHBondContact O-N 2.72Å; Y61-E64 PolarHBondContact O-N 3.25Å; Y61-E64 VanDerWaalsContact O-N 3.13Å; Y61-L66 HydrophobicContact CD1-CB 3.66Å; Y61-L66 HydrophobicContact CE1-CB 3.59Å; Y61-L66 HydrophobicContact CE1-CD1 4.22Å; Y61-F68 HydrophobicContact CD1-CE2 4.11Å; Y61-F68 HydrophobicContact CE1-CD2 4.3Å; Y61-F68 AromaticContact CE1-CE2 3.35Å; Y61-F68 HydrophobicContact CE1-CE2 3.35Å; Y61-F68 HydrophobicContact CE1-CZ 4Å; Y61-F68 AromaticContact CZ-CE2 3.81Å; Y61-W98 HydrophobicContact CE2-CH2 4.42Å; Y61-W98 HydrophobicContact CE2-CZ3 4.03Å; Y61-F102 HydrophobicContact CD2-CE1 4.22Å; Y61-F102 HydrophobicContact CD2-CZ 4.49Å; Y61-F102 HydrophobicContact CE2-CE1 4.36Å; Y61-F102 HydrophobicContact CE2-CZ 4.3Å; Y61-A154 HydrophobicContact CE1-CB 4.34Å
62S76.6Confident79.5Confident88 Ų8864.1 Ų64.162%0.61534%0.339SS*.Hα-helixtrans-68.7-27.8-179.858.40000113.8D58 E59 E64D58-S62 VanDerWaalsContact O-CB 3.28Å; D58-S62 WeakPolarHBondContact O-CB 3.36Å; D58-S62 PolarHBondContact O-N 3.34Å; D58-S62 PolarHBondContact O-OG 3.15Å; E59-S62 WeakPolarHBondContact CA-OG 3.31Å; E59-S62 PolarHBondContact O-N 2.96Å; E59-S62 PolarHBondContact O-OG 2.9Å; S62-E64 VanDerWaalsContact C-N 3.3Å
63T84.5Confident79Confident69 Ų6969.5 Ų69.542%0.42337%0.365SS..THydrogen-bonded Turntrans-85.4-0.2173.653.30000113.5E59 L60 Y61 E65E59-T63 HydrophobicContact CG-CG2 4.44Å; E59-T63 WeakPolarHBondContact O-CB 3.5Å; E59-T63 VanDerWaalsContact O-CG2 3.31Å; E59-T63 WeakPolarHBondContact O-CG2 3.28Å; E59-T63 PolarHBondContact O-N 3.17Å; E59-T63 PolarHBondContact O-OG1 3Å; L60-T63 PolarHBondContact O-OG1 2.81Å; Y61-T63 VanDerWaalsContact C-N 3.31Å; Y61-T63 PolarHBondContact O-N 2.72Å; T63-E65 PolarHBondContact O-N 2.94Å; T63-E65 WeakPolarHBondContact OG1-CG 3.21Å
64E79.1Confident78.8Confident128 Ų12873.7 Ų73.760%0.59838%0.383SS*.THydrogen-bonded Turntrans5918.8-174.7-57.3-174.1-172.300114.9Y61 S62 L66 R67Y61-E64 PolarHBondContact O-N 3.25Å; Y61-E64 VanDerWaalsContact O-N 3.13Å; S62-E64 VanDerWaalsContact C-N 3.3Å; E64-L66 VanDerWaalsContact C-N 3.25Å; E64-L66 PolarHBondContact O-N 2.93Å; E64-R67 HydrophobicContact CB-CG 4.27Å; E64-R67 WeakPolarHBondContact O-CG 3.47Å
65E83.3Confident78.9Confident54 Ų5475.4 Ų75.425%0.25240%0.403SS..SBendtrans-68.6-28.8172.6-68.7-175.6-142.400111.7L60 T63 S160 Y164L60-E65 HydrophobicContact CD2-CB 3.99Å; L60-E65 VanDerWaalsContact CD2-OE2 3.29Å; L60-E65 WeakPolarHBondContact CD2-OE2 3.48Å; L60-E65 PolarHBondContact O-N 2.75Å; T63-E65 PolarHBondContact O-N 2.94Å; T63-E65 WeakPolarHBondContact OG1-CG 3.21Å; E65-S160 PolarHBondContact O-OG 3.14Å; E65-Y164 WeakPolarHBondContact OE2-CE1 3.15Å; E65-Y164 PolarHBondContact OE2-OH 2.83Å
66L83.6Confident79.4Confident4 Ų471.1 Ų71.12%0.02139%0.385CS..SBendtrans-117131.2168.3-69.1-179.3000109.2L60 Y61 E64 L151 A154 V155 L165L60-L66 HydrophobicContact CB-CB 4.46Å; L60-L66 HydrophobicContact CB-CD1 3.87Å; L60-L66 HydrophobicContact CB-CG 4.04Å; L60-L66 HydrophobicContact CD1-CD1 3.95Å; L60-L66 PolarHBondContact O-N 3.13Å; Y61-L66 HydrophobicContact CD1-CB 3.66Å; Y61-L66 HydrophobicContact CE1-CB 3.59Å; Y61-L66 HydrophobicContact CE1-CD1 4.22Å; E64-L66 VanDerWaalsContact C-N 3.25Å; E64-L66 PolarHBondContact O-N 2.93Å; L66-L151 HydrophobicContact CD1-CD2 3.52Å; L66-A154 HydrophobicContact CB-CB 4Å; L66-A154 HydrophobicContact CD1-CB 4.42Å; L66-A154 HydrophobicContact CD2-CB 3.89Å; L66-A154 HydrophobicContact CG-CB 4.32Å; L66-V155 HydrophobicContact CD2-CG2 4.44Å; L66-L165 HydrophobicContact CD1-CD2 4.47Å; L66-L165 HydrophobicContact CD2-CD2 4.28Å
67R76.1Confident79.4Confident127 Ų12774.5 Ų74.548%0.47940%0.4SS..  trans-133153.5-176.7-68.6-173.2-72.9-159.9-1.1111.3E64 T157E64-R67 HydrophobicContact CB-CG 4.27Å; E64-R67 WeakPolarHBondContact O-CG 3.47Å; R67-T157 WeakPolarHBondContact O-CB 3.33Å
68F72.7Confident79.5Confident38 Ų3876 Ų7617%0.16741%0.41CS..  trans-110.6156.7164.4-64.4-88.9000108.9Y61 E70 F74 W98 E153 A154Y61-F68 HydrophobicContact CD1-CE2 4.11Å; Y61-F68 HydrophobicContact CE1-CD2 4.3Å; Y61-F68 AromaticContact CE1-CE2 3.35Å; Y61-F68 HydrophobicContact CE1-CE2 3.35Å; Y61-F68 HydrophobicContact CE1-CZ 4Å; Y61-F68 AromaticContact CZ-CE2 3.81Å; F68-E70 PolarHBondContact O-N 2.97Å; F68-F74 HydrophobicContact CB-CZ 4.43Å; F68-F74 HydrophobicContact CD1-CE1 4.47Å; F68-F74 HydrophobicContact CG-CE1 4.48Å; F68-F74 HydrophobicContact CG-CZ 4.44Å; F68-W98 HydrophobicContact CD2-CH2 4.35Å; F68-W98 HydrophobicContact CE1-CH2 4.27Å; F68-W98 AromaticContact CE1-CZ2 3.95Å; F68-W98 HydrophobicContact CE1-CZ2 3.95Å; F68-W98 AromaticContact CE2-CH2 3.37Å; F68-W98 HydrophobicContact CE2-CH2 3.37Å; F68-W98 AromaticContact CE2-CZ2 3.79Å; F68-W98 HydrophobicContact CE2-CZ2 3.79Å; F68-W98 AromaticContact CZ-CH2 3.32Å; F68-W98 HydrophobicContact CZ-CH2 3.32Å; F68-W98 AromaticContact CZ-CZ2 3.44Å; F68-W98 HydrophobicContact CZ-CZ2 3.44Å; F68-W98 VanDerWaalsContact CZ-CZ2 3.44Å; F68-W98 HydrophobicContact CZ-CZ3 4.49Å; F68-E153 HydrophobicContact CD1-CG 4.42Å; F68-E153 HydrophobicContact CE1-CG 4.03Å; F68-A154 HydrophobicContact CZ-CB 4.14Å
69P71.3Confident80Confident70 Ų7071.9 Ų71.946%0.45539%0.389SS..  trans-54.6135.8176.5-24.133.5000111G71 S72 T157P69-G71 PolarHBondContact O-N 3.33Å; P69-S72 WeakPolarHBondContact CD-OG 3.41Å; P69-S72 WeakPolarHBondContact O-CB 3.39Å; P69-S72 PolarHBondContact O-N 3.12Å; P69-S72 VanDerWaalsContact O-N 3.07Å; P69-S72 PolarHBondContact O-OG 2.83Å; P69-T157 HydrophobicContact CG-CG2 3.97Å
70E67Low79.8Confident201 Ų20170.7 Ų70.794%0.93938%0.381SS*.THydrogen-bonded Turntrans-57.5136.2174.7-76.7-172.3167.300110.6F68 S72F68-E70 PolarHBondContact O-N 2.97Å; E70-S72 VanDerWaalsContact C-N 3.31Å
71G67Low79.3Confident75 Ų7570.8 Ų70.877%0.77338%0.381SS*.THydrogen-bonded Turntrans7616.1-175.500000114.4P69 E73P69-G71 PolarHBondContact O-N 3.33Å; G71-E73 PolarHBondContact O-N 3.05Å
72S69.7Low79.2Confident40 Ų4070.9 Ų70.928%0.2838%0.381SS..  trans-58.2122.3171.6-67.90000110.7P69 E70 F74P69-S72 WeakPolarHBondContact CD-OG 3.41Å; P69-S72 WeakPolarHBondContact O-CB 3.39Å; P69-S72 PolarHBondContact O-N 3.12Å; P69-S72 VanDerWaalsContact O-N 3.07Å; P69-S72 PolarHBondContact O-OG 2.83Å; E70-S72 VanDerWaalsContact C-N 3.31Å; S72-F74 WeakPolarHBondContact O-CD2 3.46Å; S72-F74 WeakPolarHBondContact O-CE2 3.44Å
73E73.2Confident79.1Confident193 Ų19368.9 Ų68.990%0.90237%0.367SS*.  trans-85.4132169.2-63.8-177.9163.600108.8G71G71-E73 PolarHBondContact O-N 3.05Å
74F80.9Confident78.6Confident90 Ų9069 Ų6940%0.39537%0.368SS..  trans-107.5133.4-179-59.9-80.9000110.3F68 S72 W95 W98F68-F74 HydrophobicContact CB-CZ 4.43Å; F68-F74 HydrophobicContact CD1-CE1 4.47Å; F68-F74 HydrophobicContact CG-CE1 4.48Å; F68-F74 HydrophobicContact CG-CZ 4.44Å; S72-F74 WeakPolarHBondContact O-CD2 3.46Å; S72-F74 WeakPolarHBondContact O-CE2 3.44Å; F74-W95 HydrophobicContact CB-CD2 4.37Å; F74-W95 HydrophobicContact CB-CE3 3.59Å; F74-W95 HydrophobicContact CB-CZ3 3.77Å; F74-W98 HydrophobicContact CD1-CZ2 4.48Å; F74-W98 AromaticContact CD1-NE1 3.97Å; F74-W98 HydrophobicContact CE1-CZ2 4.04Å
75A85.9Confident77.9Confident64 Ų6467.4 Ų67.453%0.52936%0.363SS..  trans-74.5133178.100000111.2V96A75-V96 HydrophobicContact CB-CB 4.04Å; A75-V96 HydrophobicContact CB-CG2 3.76Å; A75-V96 WeakPolarHBondContact O-CG2 3.41Å; A75-V96 PolarHBondContact O-N 3.18Å
76V89.3Confident77.3Confident20 Ų2074.3 Ų74.312%0.12139%0.392CS..EExtended strand (participates in β ladder)trans-79.4122.7173.2176.30000109.2I79 V93 W95 L111 C114 L117V76-I79 HydrophobicContact CG1-CD1 3.93Å; V76-V93 HydrophobicContact CB-CG1 4.37Å; V76-V93 HydrophobicContact CG1-CG1 4Å; V76-V93 HydrophobicContact CG2-CG1 3.95Å; V76-W95 HydrophobicContact CG2-CE3 4.38Å; V76-W95 HydrophobicContact CG2-CZ3 4.01Å; V76-L111 HydrophobicContact CG2-CD2 4.01Å; V76-C114 VanDerWaalsContact CG2-SG 3.56Å; V76-L117 HydrophobicContact CB-CD1 4.04Å; V76-L117 HydrophobicContact CG1-CD1 3.65Å
77E88.5Confident76.8Confident78 Ų7877.3 Ų77.336%0.36442%0.424SS..EExtended strand (participates in β ladder)trans-82-48.7175.6-172.6-172.4104.900110.4K94 V96E77-K94 WeakPolarHBondContact CA-O 3.45Å; E77-K94 HydrophobicContact CB-CB 4.48Å; E77-K94 HydrophobicContact CB-CG 4Å; E77-K94 VanDerWaalsContact CB-O 3.24Å; E77-K94 WeakPolarHBondContact CB-O 3.18Å; E77-K94 HydrophobicContact CG-CG 4.35Å; E77-K94 PolarHBondContact N-O 3.47Å; E77-K94 VanDerWaalsContact OE1-CG 3.22Å; E77-K94 WeakPolarHBondContact OE1-CG 3.24Å; E77-K94 IonicContact OE1-NZ 3.43Å; E77-K94 IonicContact OE2-NZ 3.9Å; E77-K94 PolarHBondContact OE2-NZ 3.1Å; E77-V96 HydrophobicContact CB-CB 4.39Å; E77-V96 HydrophobicContact CB-CG2 3.67Å; E77-V96 HydrophobicContact CG-CG2 4.33Å
78S88.4Confident77Confident32 Ų3275.6 Ų75.622%0.22442%0.424CS..EExtended strand (participates in β ladder)trans-159.8146.8179.351.60000111.5R80 K94S78-R80 PolarHBondContact OG-NE 2.84Å; S78-K94 PolarHBondContact N-O 3.04Å; S78-K94 PolarHBondContact O-N 2.68Å
79I88.1Confident77.5Confident14 Ų1474.9 Ų74.97%0.07242%0.422CS..EExtended strand (participates in β ladder)trans-81.4122.6167.3-57.5-57.9000108V76 Y91 V93 L111 L117 I118 F121V76-I79 HydrophobicContact CG1-CD1 3.93Å; I79-Y91 HydrophobicContact CG2-CD1 3.46Å; I79-Y91 VanDerWaalsContact CG2-CD1 3.46Å; I79-Y91 HydrophobicContact CG2-CE1 4.25Å; I79-Y91 HydrophobicContact CG2-CG 4.16Å; I79-V93 HydrophobicContact CD1-CG2 4.22Å; I79-L111 HydrophobicContact CD1-CD1 4.06Å; I79-L117 HydrophobicContact CG1-CB 4.12Å; I79-I118 HydrophobicContact CD1-CG1 4.28Å; I79-I118 HydrophobicContact CG1-CG1 4.11Å; I79-F121 HydrophobicContact CB-CB 4.04Å; I79-F121 HydrophobicContact CB-CD2 4.08Å; I79-F121 HydrophobicContact CB-CG 4.1Å; I79-F121 HydrophobicContact CG2-CB 4.07Å; I79-F121 HydrophobicContact CG2-CD1 4.06Å; I79-F121 HydrophobicContact CG2-CD2 3.74Å; I79-F121 HydrophobicContact CG2-CE2 4.21Å; I79-F121 HydrophobicContact CG2-CG 3.66Å; I79-F121 VanDerWaalsContact O-CD2 3.23Å; I79-F121 WeakPolarHBondContact O-CD2 3.28Å
80R80.1Confident78.2Confident58 Ų5874 Ų7422%0.21941%0.411CS..EExtended strand (participates in β ladder)trans-101.9-30.8-172.6-63.3-60.1-166.489.3-8.7113.2S78 Y92 K94 D135S78-R80 PolarHBondContact OG-NE 2.84Å; R80-Y92 HydrophobicContact CB-CD1 3.77Å; R80-Y92 WeakPolarHBondContact CB-O 3.12Å; R80-Y92 HydrophobicContact CG-CD1 4.49Å; R80-Y92 PolarHBondContact N-O 3.43Å; R80-K94 HydrophobicContact CG-CB 3.77Å; R80-D135 IonicContact CZ-OD1 2.65Å; R80-D135 VanDerWaalsContact CZ-OD1 3.26Å; R80-D135 IonicContact CZ-OD2 2.71Å; R80-D135 IonicContact NH1-OD1 2.81Å; R80-D135 PolarHBondContact NH1-OD1 2.72Å; R80-D135 IonicContact NH1-OD2 3.41Å; R80-D135 PolarHBondContact NH1-OD2 3.26Å; R80-D135 IonicContact NH2-OD1 3.48Å; R80-D135 PolarHBondContact NH2-OD1 2.92Å; R80-D135 IonicContact NH2-OD2 2.78Å
81A77.5Confident79.1Confident1 Ų164.5 Ų64.51%0.00837%0.367CS..EExtended strand (participates in β ladder)trans-156.5166.817600000111.5Y91 Y92 W105 G130 L132A81-Y91 CarbonylContact O-C 3.54Å; A81-Y91 VanDerWaalsContact O-CA 3.28Å; A81-Y91 WeakPolarHBondContact O-CA 3.4Å; A81-Y92 PolarHBondContact O-N 2.8Å; A81-W105 HydrophobicContact CB-CH2 3.55Å; A81-W105 HydrophobicContact CB-CZ2 4.15Å; A81-W105 HydrophobicContact CB-CZ3 4.3Å; A81-G130 WeakPolarHBondContact CB-O 3.42Å; A81-L132 HydrophobicContact CB-CD2 3.66Å; A81-L132 HydrophobicContact CB-CG 4.25Å
82R80.3Confident79.9Confident45 Ų4563.2 Ų63.217%0.1734%0.339CS..EExtended strand (participates in β ladder)trans-133.5135.1176.3-176.8-177.2-173.8-104.2-3.8110.1V89 F90 Y91 F121 S127R82-V89 HydrophobicContact CG-CG1 4.11Å; R82-F90 CarbonylContact C-O 3.51Å; R82-F90 WeakPolarHBondContact CA-O 3.49Å; R82-Y91 HydrophobicContact CB-CD1 3.9Å; R82-Y91 HydrophobicContact CB-CE1 3.85Å; R82-Y91 HydrophobicContact CG-CD1 3.96Å; R82-Y91 HydrophobicContact CG-CE1 3.58Å; R82-Y91 PolarHBondContact NE-OH 2.96Å; R82-F121 HydrophobicContact CB-CE1 3.7Å; R82-F121 HydrophobicContact CB-CZ 4.3Å; R82-S127 PolarHBondContact NH1-O 2.87Å
83S74.8Confident80.7Confident45 Ų4561.3 Ų61.332%0.31533%0.326SS..EExtended strand (participates in β ladder)trans-136.8151.6177.8-174.50000110.5F90S83-F90 PolarHBondContact N-O 3.24Å; S83-F90 PolarHBondContact O-N 3.03Å; S83-F90 VanDerWaalsContact O-O 3.13Å
84V73.9Confident81.3Confident73 Ų7352.3 Ų52.344%0.44228%0.284SS..EExtended strand (participates in β ladder)trans-121.3115.5174.9-177.10000108.2I88 V89V84-I88 WeakPolarHBondContact CA-O 3.26Å; V84-V89 HydrophobicContact CG2-CG2 4.36Å
85N63.4Low81.6Confident93 Ų9349.6 Ų49.650%0.49727%0.271SS..EExtended strand (participates in β ladder)trans-121.4119.4179.2-172.6-4.1000109.5G87 I88 F90N85-G87 PolarHBondContact O-N 3.07Å; N85-G87 VanDerWaalsContact O-N 3.15Å; N85-I88 PolarHBondContact N-O 2.85Å; N85-I88 PolarHBondContact O-N 2.84Å; N85-F90 HydrophobicContact CB-CD2 4.12Å; N85-F90 HydrophobicContact CB-CE2 3.92Å
86K71.3Confident81.4Confident200 Ų20050.1 Ų50.187%0.8727%0.267SS*.THydrogen-bonded Turntrans51.436.4-178.7-64.5171.9-176.8178.70113.8I88K86-I88 VanDerWaalsContact C-N 3.26Å; K86-I88 PolarHBondContact O-N 3.19Å
87G73.4Confident80.7Confident67 Ų6750 Ų5069%0.69127%0.27SS*.THydrogen-bonded Turntrans81.5-4.2-179.700000115N85N85-G87 PolarHBondContact O-N 3.07Å; N85-G87 VanDerWaalsContact O-N 3.15Å
88I80.3Confident80Confident91 Ų9147.6 Ų47.647%0.46726%0.258SS..EExtended strand (participates in β ladder)trans-91.8132.1172-57.2174.6000108.5V84 N85 K86 F90 P107V84-I88 WeakPolarHBondContact CA-O 3.26Å; N85-I88 PolarHBondContact N-O 2.85Å; N85-I88 PolarHBondContact O-N 2.84Å; K86-I88 VanDerWaalsContact C-N 3.26Å; K86-I88 PolarHBondContact O-N 3.19Å; I88-F90 HydrophobicContact CB-CD2 4.43Å; I88-F90 HydrophobicContact CB-CE2 3.72Å; I88-F90 HydrophobicContact CB-CZ 4.3Å; I88-F90 HydrophobicContact CG2-CD2 4.13Å; I88-F90 HydrophobicContact CG2-CE2 3.56Å; I88-F90 HydrophobicContact CG2-CZ 3.82Å; I88-F90 WeakPolarHBondContact O-CD2 3.45Å; I88-P107 HydrophobicContact CG2-CB 4.13Å
89V83.5Confident79.2Confident22 Ų2246.1 Ų46.113%0.13325%0.247CC..EExtended strand (participates in β ladder)trans-86.3127.9176.1-174.70000108.8R82 V84 Y91 P107 E108R82-V89 HydrophobicContact CG-CG1 4.11Å; V84-V89 HydrophobicContact CG2-CG2 4.36Å; V89-Y91 HydrophobicContact CG1-CD2 4.2Å; V89-Y91 HydrophobicContact CG1-CE2 3.5Å; V89-P107 WeakPolarHBondContact O-CA 3.39Å; V89-E108 HydrophobicContact CB-CB 4.41Å; V89-E108 PolarHBondContact O-N 2.8Å
90F85.3Confident78.3Confident52 Ų5246.8 Ų46.823%0.22825%0.253CS..EExtended strand (participates in β ladder)trans-117.3146.3173.9-66.7-96.3000109.8R82 S83 N85 I88 W105 E106 P107R82-F90 CarbonylContact C-O 3.51Å; R82-F90 WeakPolarHBondContact CA-O 3.49Å; S83-F90 PolarHBondContact N-O 3.24Å; S83-F90 PolarHBondContact O-N 3.03Å; S83-F90 VanDerWaalsContact O-O 3.13Å; N85-F90 HydrophobicContact CB-CD2 4.12Å; N85-F90 HydrophobicContact CB-CE2 3.92Å; I88-F90 HydrophobicContact CB-CD2 4.43Å; I88-F90 HydrophobicContact CB-CE2 3.72Å; I88-F90 HydrophobicContact CB-CZ 4.3Å; I88-F90 HydrophobicContact CG2-CD2 4.13Å; I88-F90 HydrophobicContact CG2-CE2 3.56Å; I88-F90 HydrophobicContact CG2-CZ 3.82Å; I88-F90 WeakPolarHBondContact O-CD2 3.45Å; F90-W105 HydrophobicContact CB-CE3 3.86Å; F90-W105 HydrophobicContact CB-CZ3 4.47Å; F90-E106 CarbonylContact C-O 3.48Å; F90-E106 VanDerWaalsContact CA-O 3.29Å; F90-E106 WeakPolarHBondContact CA-O 3.31Å; F90-P107 HydrophobicContact CD1-CB 4.13Å; F90-P107 HydrophobicContact CE1-CB 3.96Å; F90-P107 HydrophobicContact CE1-CG 4.41Å
91Y86.1Confident77.8Confident2 Ų248.1 Ų48.11%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-122.4138.4173.7-68.1-83.6000109.8I79 A81 R82 V89 W105 E106 E108 L111 I118I79-Y91 HydrophobicContact CG2-CD1 3.46Å; I79-Y91 VanDerWaalsContact CG2-CD1 3.46Å; I79-Y91 HydrophobicContact CG2-CE1 4.25Å; I79-Y91 HydrophobicContact CG2-CG 4.16Å; A81-Y91 CarbonylContact O-C 3.54Å; A81-Y91 VanDerWaalsContact O-CA 3.28Å; A81-Y91 WeakPolarHBondContact O-CA 3.4Å; R82-Y91 HydrophobicContact CB-CD1 3.9Å; R82-Y91 HydrophobicContact CB-CE1 3.85Å; R82-Y91 HydrophobicContact CG-CD1 3.96Å; R82-Y91 HydrophobicContact CG-CE1 3.58Å; R82-Y91 PolarHBondContact NE-OH 2.96Å; V89-Y91 HydrophobicContact CG1-CD2 4.2Å; V89-Y91 HydrophobicContact CG1-CE2 3.5Å; Y91-W105 VanDerWaalsContact C-CE3 3.4Å; Y91-W105 WeakPolarHBondContact O-CA 3.43Å; Y91-E106 PolarHBondContact N-O 3.22Å; Y91-E106 PolarHBondContact O-N 3.29Å; Y91-E108 HydrophobicContact CD2-CB 4.43Å; Y91-E108 HydrophobicContact CE2-CB 4.1Å; Y91-E108 HydrophobicContact CE2-CG 4.16Å; Y91-L111 HydrophobicContact CD2-CD1 3.75Å; Y91-L111 HydrophobicContact CG-CD1 4.01Å; Y91-I118 HydrophobicContact CD2-CD1 4.4Å; Y91-I118 HydrophobicContact CE1-CG1 4.47Å; Y91-I118 HydrophobicContact CE1-CG2 3.96Å; Y91-I118 HydrophobicContact CE2-CD1 4.16Å; Y91-I118 HydrophobicContact CE2-CG1 4.4Å; Y91-I118 HydrophobicContact CE2-CG2 4.25Å; Y91-I118 VanDerWaalsContact OH-CG2 3.31Å; Y91-I118 WeakPolarHBondContact OH-CG2 3.43Å
92Y85Confident77.6Confident47 Ų4749.8 Ų49.818%0.18427%0.274CS..EExtended strand (participates in β ladder)trans-86.1119.3172.7-167-122.4000108.5R80 A81 N103 T104 W105 L132R80-Y92 HydrophobicContact CB-CD1 3.77Å; R80-Y92 WeakPolarHBondContact CB-O 3.12Å; R80-Y92 HydrophobicContact CG-CD1 4.49Å; R80-Y92 PolarHBondContact N-O 3.43Å; A81-Y92 PolarHBondContact O-N 2.8Å; Y92-N103 HydrophobicContact CD1-CB 4.25Å; Y92-N103 HydrophobicContact CD2-CB 4.45Å; Y92-N103 HydrophobicContact CE1-CB 3.56Å; Y92-N103 HydrophobicContact CE2-CB 3.77Å; Y92-N103 WeakPolarHBondContact CE2-O 3.15Å; Y92-N103 WeakPolarHBondContact OH-CB 3.29Å; Y92-T104 WeakPolarHBondContact CA-O 3.12Å; Y92-T104 WeakPolarHBondContact CD2-O 3.46Å; Y92-W105 AromaticContact CD2-CD1 3.58Å; Y92-W105 AromaticContact CD2-CD2 3.88Å; Y92-W105 HydrophobicContact CD2-CD2 3.88Å; Y92-W105 AromaticContact CD2-CE2 3.67Å; Y92-W105 AromaticContact CD2-CG 3.85Å; Y92-W105 HydrophobicContact CD2-CG 3.85Å; Y92-W105 HydrophobicContact CD2-CZ2 4.34Å; Y92-W105 AromaticContact CD2-NE1 3.45Å; Y92-W105 AromaticContact CE2-CD1 3.98Å; Y92-W105 AromaticContact CE2-NE1 3.89Å; Y92-W105 HydrophobicContact CG-CD2 4.31Å; Y92-W105 HydrophobicContact CG-CZ2 4.24Å; Y92-W105 VanDerWaalsContact N-CE3 3.31Å; Y92-L132 HydrophobicContact CD1-CD2 3.1Å; Y92-L132 HydrophobicContact CD1-CG 4.47Å; Y92-L132 HydrophobicContact CE1-CD1 4.44Å; Y92-L132 HydrophobicContact CE1-CD2 3.49Å; Y92-L132 VanDerWaalsContact CE1-CD2 3.49Å; Y92-L132 HydrophobicContact CG-CD2 3.87Å
93V86.6Confident77.6Confident0 Ų048.3 Ų48.30%027%0.269CS..EExtended strand (participates in β ladder)trans-105.9128.1-168173.40000109.8V76 I79 W95 N103 T104 E106 L111V76-V93 HydrophobicContact CB-CG1 4.37Å; V76-V93 HydrophobicContact CG1-CG1 4Å; V76-V93 HydrophobicContact CG2-CG1 3.95Å; I79-V93 HydrophobicContact CD1-CG2 4.22Å; V93-W95 HydrophobicContact CB-CD2 4.44Å; V93-W95 HydrophobicContact CB-CZ2 4.13Å; V93-W95 HydrophobicContact CG1-CD2 3.5Å; V93-W95 HydrophobicContact CG1-CE3 3.67Å; V93-W95 HydrophobicContact CG1-CG 4.07Å; V93-W95 HydrophobicContact CG1-CH2 4.02Å; V93-W95 HydrophobicContact CG1-CZ2 3.86Å; V93-W95 HydrophobicContact CG1-CZ3 3.92Å; V93-N103 VanDerWaalsContact O-CA 3.23Å; V93-N103 WeakPolarHBondContact O-CA 3.35Å; V93-N103 WeakPolarHBondContact O-CB 3.49Å; V93-N103 VanDerWaalsContact O-CG 3.27Å; V93-N103 PolarHBondContact O-OD1 2.82Å; V93-T104 PolarHBondContact N-O 3.45Å; V93-T104 PolarHBondContact O-N 2.8Å; V93-E106 HydrophobicContact CG2-CB 4.16Å; V93-E106 HydrophobicContact CG2-CG 4.04Å; V93-L111 HydrophobicContact CG2-CD1 4.32Å; V93-L111 HydrophobicContact CG2-CD2 3.76Å
94K85.2Confident77.8Confident4 Ų448.7 Ų48.72%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-87.7120.2157.1173.664.8168.367.60108.3E77 S78 R80 W98 P100 N103 E146E77-K94 WeakPolarHBondContact CA-O 3.45Å; E77-K94 HydrophobicContact CB-CB 4.48Å; E77-K94 HydrophobicContact CB-CG 4Å; E77-K94 VanDerWaalsContact CB-O 3.24Å; E77-K94 WeakPolarHBondContact CB-O 3.18Å; E77-K94 HydrophobicContact CG-CG 4.35Å; E77-K94 PolarHBondContact N-O 3.47Å; E77-K94 VanDerWaalsContact OE1-CG 3.22Å; E77-K94 WeakPolarHBondContact OE1-CG 3.24Å; E77-K94 IonicContact OE1-NZ 3.43Å; E77-K94 IonicContact OE2-NZ 3.9Å; E77-K94 PolarHBondContact OE2-NZ 3.1Å; S78-K94 PolarHBondContact N-O 3.04Å; S78-K94 PolarHBondContact O-N 2.68Å; R80-K94 HydrophobicContact CG-CB 3.77Å; K94-W98 WeakPolarHBondContact CE-O 3.38Å; K94-W98 PolarHBondContact NZ-O 2.95Å; K94-P100 HydrophobicContact CD-CG 4.34Å; K94-N103 WeakPolarHBondContact CA-OD1 3.26Å; K94-N103 WeakPolarHBondContact CD-OD1 3.28Å; K94-E146 IonicContact NZ-OE1 3.33Å
95W86.4Confident78.3Confident34 Ų3450.3 Ų50.313%0.12927%0.269CS..EExtended strand (participates in β ladder)trans-84.8141.9178.3-54.5104000110.7F74 V76 V93 G97 W98 T104 E106F74-W95 HydrophobicContact CB-CD2 4.37Å; F74-W95 HydrophobicContact CB-CE3 3.59Å; F74-W95 HydrophobicContact CB-CZ3 3.77Å; V76-W95 HydrophobicContact CG2-CE3 4.38Å; V76-W95 HydrophobicContact CG2-CZ3 4.01Å; V93-W95 HydrophobicContact CB-CD2 4.44Å; V93-W95 HydrophobicContact CB-CZ2 4.13Å; V93-W95 HydrophobicContact CG1-CD2 3.5Å; V93-W95 HydrophobicContact CG1-CE3 3.67Å; V93-W95 HydrophobicContact CG1-CG 4.07Å; V93-W95 HydrophobicContact CG1-CH2 4.02Å; V93-W95 HydrophobicContact CG1-CZ2 3.86Å; V93-W95 HydrophobicContact CG1-CZ3 3.92Å; W95-G97 PolarHBondContact O-N 3.4Å; W95-W98 HydrophobicContact CB-CB 3.81Å; W95-W98 HydrophobicContact CB-CG 3.82Å; W95-W98 PolarHBondContact O-N 3.43Å; W95-W98 VanDerWaalsContact O-N 3.15Å; W95-T104 WeakPolarHBondContact CZ2-OG1 3.34Å; W95-T104 PolarHBondContact NE1-OG1 2.94Å; W95-E106 HydrophobicContact CH2-CG 3.9Å; W95-E106 HydrophobicContact CZ2-CG 3.58Å
96V82.4Confident79.4Confident74 Ų7447.7 Ų47.745%0.44825%0.253SS..THydrogen-bonded Turntrans-60.2121.6-178.6173.50000110.2A75 E77 W98A75-V96 HydrophobicContact CB-CB 4.04Å; A75-V96 HydrophobicContact CB-CG2 3.76Å; A75-V96 WeakPolarHBondContact O-CG2 3.41Å; A75-V96 PolarHBondContact O-N 3.18Å; E77-V96 HydrophobicContact CB-CB 4.39Å; E77-V96 HydrophobicContact CB-CG2 3.67Å; E77-V96 HydrophobicContact CG-CG2 4.33Å; V96-W98 VanDerWaalsContact O-CD1 3.3Å; V96-W98 PolarHBondContact O-N 2.74Å
97G73.6Confident80.2Confident18 Ų1839.2 Ų39.219%0.18622%0.219CC..THydrogen-bonded Turntrans70.59.6177.600000115W95 R150W95-G97 PolarHBondContact O-N 3.4Å; G97-R150 VanDerWaalsContact C-NH1 3.27Å; G97-R150 PolarHBondContact O-NH1 3.07Å
98W75.4Confident80.9Confident27 Ų2740.8 Ų40.810%0.10221%0.208CC..SBendtrans-98.6136.1173.9-75.185.4000111.1Y61 F68 F74 K94 W95 V96 F102 R150Y61-W98 HydrophobicContact CE2-CH2 4.42Å; Y61-W98 HydrophobicContact CE2-CZ3 4.03Å; F68-W98 HydrophobicContact CD2-CH2 4.35Å; F68-W98 HydrophobicContact CE1-CH2 4.27Å; F68-W98 AromaticContact CE1-CZ2 3.95Å; F68-W98 HydrophobicContact CE1-CZ2 3.95Å; F68-W98 AromaticContact CE2-CH2 3.37Å; F68-W98 HydrophobicContact CE2-CH2 3.37Å; F68-W98 AromaticContact CE2-CZ2 3.79Å; F68-W98 HydrophobicContact CE2-CZ2 3.79Å; F68-W98 AromaticContact CZ-CH2 3.32Å; F68-W98 HydrophobicContact CZ-CH2 3.32Å; F68-W98 AromaticContact CZ-CZ2 3.44Å; F68-W98 HydrophobicContact CZ-CZ2 3.44Å; F68-W98 VanDerWaalsContact CZ-CZ2 3.44Å; F68-W98 HydrophobicContact CZ-CZ3 4.49Å; F74-W98 HydrophobicContact CD1-CZ2 4.48Å; F74-W98 AromaticContact CD1-NE1 3.97Å; F74-W98 HydrophobicContact CE1-CZ2 4.04Å; K94-W98 WeakPolarHBondContact CE-O 3.38Å; K94-W98 PolarHBondContact NZ-O 2.95Å; W95-W98 HydrophobicContact CB-CB 3.81Å; W95-W98 HydrophobicContact CB-CG 3.82Å; W95-W98 PolarHBondContact O-N 3.43Å; W95-W98 VanDerWaalsContact O-N 3.15Å; V96-W98 VanDerWaalsContact O-CD1 3.3Å; V96-W98 PolarHBondContact O-N 2.74Å; W98-F102 HydrophobicContact CE3-CB 4.06Å; W98-F102 HydrophobicContact CE3-CD2 4.05Å; W98-F102 HydrophobicContact CE3-CG 4.02Å; W98-F102 HydrophobicContact CZ3-CG 4.37Å; W98-R150 HydrophobicContact CD2-CG 4.37Å; W98-R150 VanDerWaalsContact CE2-CD 3.44Å; W98-R150 HydrophobicContact CE3-CG 4.35Å
99P70.6Confident81.3Confident1 Ų140.2 Ų40.21%0.00621%0.212CC..  trans-56140.9174.3-25.834000111.5Y54 V101 F102 E146 V147Y54-P99 HydrophobicContact CD1-CB 4.33Å; Y54-P99 HydrophobicContact CE1-CB 3.53Å; Y54-P99 HydrophobicContact CE1-CG 3.8Å; P99-V101 HydrophobicContact CB-CG1 4.15Å; P99-V101 PolarHBondContact O-N 3.07Å; P99-F102 HydrophobicContact CB-CD2 4.03Å; P99-F102 HydrophobicContact CB-CE2 4.36Å; P99-F102 HydrophobicContact CG-CD2 4.18Å; P99-F102 HydrophobicContact CG-CE2 4.28Å; P99-F102 PolarHBondContact O-N 2.64Å; P99-E146 WeakPolarHBondContact CA-OE2 3.39Å; P99-E146 HydrophobicContact CG-CB 4.13Å; P99-V147 HydrophobicContact CG-CG2 3.97Å
100P69.5Low81.5Confident29 Ų2943.4 Ų43.419%0.18823%0.228CC..G310 helixtrans-57.5-20.3-174.8-2834000116.4K94 F102 N103 D135K94-P100 HydrophobicContact CD-CG 4.34Å; P100-F102 PolarHBondContact O-N 3.27Å; P100-N103 WeakPolarHBondContact CA-OD1 3.45Å; P100-N103 VanDerWaalsContact O-CB 3.24Å; P100-N103 WeakPolarHBondContact O-CB 3.27Å; P100-N103 PolarHBondContact O-N 2.86Å; P100-N103 VanDerWaalsContact O-N 3.08Å; P100-N103 PolarHBondContact O-ND2 2.76Å; P100-N103 PolarHBondContact O-OD1 3.36Å; P100-D135 WeakPolarHBondContact CB-OD2 3.43Å; P100-D135 WeakPolarHBondContact CG-OD2 3.44Å
101V68.6Low81.7Confident85 Ų8541.2 Ų41.252%0.51522%0.219SC..G310 helixtrans-61.2-23.1173.772.80000112.8Y54 P99Y54-V101 HydrophobicContact CD1-CG1 3.81Å; Y54-V101 HydrophobicContact CD2-CB 4.19Å; Y54-V101 HydrophobicContact CD2-CG1 3.91Å; Y54-V101 HydrophobicContact CD2-CG2 4.44Å; Y54-V101 HydrophobicContact CE1-CG1 4.25Å; Y54-V101 HydrophobicContact CE2-CG1 4.32Å; Y54-V101 HydrophobicContact CG-CB 4.38Å; Y54-V101 HydrophobicContact CG-CG1 3.65Å; P99-V101 HydrophobicContact CB-CG1 4.15Å; P99-V101 PolarHBondContact O-N 3.07Å
102F73.8Confident81.6Confident37 Ų3748.5 Ų48.516%0.16225%0.253CS..G310 helixtrans-95.29.6177.1-63.1-74.8000113.1Y54 L57 Y61 W98 P99 P100Y54-F102 HydrophobicContact CD1-CE2 4.29Å; L57-F102 HydrophobicContact CB-CZ 3.81Å; L57-F102 HydrophobicContact CD1-CE2 4.21Å; L57-F102 HydrophobicContact CD1-CZ 4.27Å; Y61-F102 HydrophobicContact CD2-CE1 4.22Å; Y61-F102 HydrophobicContact CD2-CZ 4.49Å; Y61-F102 HydrophobicContact CE2-CE1 4.36Å; Y61-F102 HydrophobicContact CE2-CZ 4.3Å; W98-F102 HydrophobicContact CE3-CB 4.06Å; W98-F102 HydrophobicContact CE3-CD2 4.05Å; W98-F102 HydrophobicContact CE3-CG 4.02Å; W98-F102 HydrophobicContact CZ3-CG 4.37Å; P99-F102 HydrophobicContact CB-CD2 4.03Å; P99-F102 HydrophobicContact CB-CE2 4.36Å; P99-F102 HydrophobicContact CG-CD2 4.18Å; P99-F102 HydrophobicContact CG-CE2 4.28Å; P99-F102 PolarHBondContact O-N 2.64Å; P100-F102 PolarHBondContact O-N 3.27Å
103N80.3Confident81.8Confident13 Ų1349.4 Ų49.47%0.0728%0.276CS..  trans-62.7139.1172.6-68.5-2.4000109.8Y92 V93 K94 P100Y92-N103 HydrophobicContact CD1-CB 4.25Å; Y92-N103 HydrophobicContact CD2-CB 4.45Å; Y92-N103 HydrophobicContact CE1-CB 3.56Å; Y92-N103 HydrophobicContact CE2-CB 3.77Å; Y92-N103 WeakPolarHBondContact CE2-O 3.15Å; Y92-N103 WeakPolarHBondContact OH-CB 3.29Å; V93-N103 VanDerWaalsContact O-CA 3.23Å; V93-N103 WeakPolarHBondContact O-CA 3.35Å; V93-N103 WeakPolarHBondContact O-CB 3.49Å; V93-N103 VanDerWaalsContact O-CG 3.27Å; V93-N103 PolarHBondContact O-OD1 2.82Å; K94-N103 WeakPolarHBondContact CA-OD1 3.26Å; K94-N103 WeakPolarHBondContact CD-OD1 3.28Å; P100-N103 WeakPolarHBondContact CA-OD1 3.45Å; P100-N103 VanDerWaalsContact O-CB 3.24Å; P100-N103 WeakPolarHBondContact O-CB 3.27Å; P100-N103 PolarHBondContact O-N 2.86Å; P100-N103 VanDerWaalsContact O-N 3.08Å; P100-N103 PolarHBondContact O-ND2 2.76Å; P100-N103 PolarHBondContact O-OD1 3.36Å
104T80Confident81.9Confident54 Ų5450.3 Ų50.333%0.33128%0.282SS..EExtended strand (participates in β ladder)trans-127.7159-176.356.20000111.5Y92 V93 W95 E106Y92-T104 WeakPolarHBondContact CA-O 3.12Å; Y92-T104 WeakPolarHBondContact CD2-O 3.46Å; V93-T104 PolarHBondContact N-O 3.45Å; V93-T104 PolarHBondContact O-N 2.8Å; W95-T104 WeakPolarHBondContact CZ2-OG1 3.34Å; W95-T104 PolarHBondContact NE1-OG1 2.94Å; T104-E106 VanDerWaalsContact CB-OE1 3.31Å; T104-E106 WeakPolarHBondContact CB-OE1 3.43Å; T104-E106 PolarHBondContact OG1-OE1 2.95Å
105W84.6Confident82.1Confident107 Ų10755.8 Ų55.841%0.40531%0.308SS..EExtended strand (participates in β ladder)trans-91.2112172-77.498.8000109.7A81 F90 Y91 Y92A81-W105 HydrophobicContact CB-CH2 3.55Å; A81-W105 HydrophobicContact CB-CZ2 4.15Å; A81-W105 HydrophobicContact CB-CZ3 4.3Å; F90-W105 HydrophobicContact CB-CE3 3.86Å; F90-W105 HydrophobicContact CB-CZ3 4.47Å; Y91-W105 VanDerWaalsContact C-CE3 3.4Å; Y91-W105 WeakPolarHBondContact O-CA 3.43Å; Y92-W105 AromaticContact CD2-CD1 3.58Å; Y92-W105 AromaticContact CD2-CD2 3.88Å; Y92-W105 HydrophobicContact CD2-CD2 3.88Å; Y92-W105 AromaticContact CD2-CE2 3.67Å; Y92-W105 AromaticContact CD2-CG 3.85Å; Y92-W105 HydrophobicContact CD2-CG 3.85Å; Y92-W105 HydrophobicContact CD2-CZ2 4.34Å; Y92-W105 AromaticContact CD2-NE1 3.45Å; Y92-W105 AromaticContact CE2-CD1 3.98Å; Y92-W105 AromaticContact CE2-NE1 3.89Å; Y92-W105 HydrophobicContact CG-CD2 4.31Å; Y92-W105 HydrophobicContact CG-CZ2 4.24Å; Y92-W105 VanDerWaalsContact N-CE3 3.31Å
106E85.4Confident82.3Confident38 Ų3860.8 Ų60.818%0.17834%0.337CS..EExtended strand (participates in β ladder)trans-109.8134.5-178.8-61.5-53.7141.900110.5F90 Y91 V93 W95 T104 N110 L111F90-E106 CarbonylContact C-O 3.48Å; F90-E106 VanDerWaalsContact CA-O 3.29Å; F90-E106 WeakPolarHBondContact CA-O 3.31Å; Y91-E106 PolarHBondContact N-O 3.22Å; Y91-E106 PolarHBondContact O-N 3.29Å; V93-E106 HydrophobicContact CG2-CB 4.16Å; V93-E106 HydrophobicContact CG2-CG 4.04Å; W95-E106 HydrophobicContact CH2-CG 3.9Å; W95-E106 HydrophobicContact CZ2-CG 3.58Å; T104-E106 VanDerWaalsContact CB-OE1 3.31Å; T104-E106 WeakPolarHBondContact CB-OE1 3.43Å; T104-E106 PolarHBondContact OG1-OE1 2.95Å; E106-N110 HydrophobicContact CB-CB 4.18Å; E106-N110 PolarHBondContact OE2-ND2 3.13Å; E106-L111 HydrophobicContact CB-CD2 3.98Å; E106-L111 HydrophobicContact CB-CG 4.34Å; E106-L111 HydrophobicContact CG-CD2 4.47Å
107P89.2Confident82.7Confident22 Ų2260 Ų6014%0.14333%0.33CS..EExtended strand (participates in β ladder)trans-62.8152.6169.929.4-35000110I88 V89 F90 S109 N110I88-P107 HydrophobicContact CG2-CB 4.13Å; V89-P107 WeakPolarHBondContact O-CA 3.39Å; F90-P107 HydrophobicContact CD1-CB 4.13Å; F90-P107 HydrophobicContact CE1-CB 3.96Å; F90-P107 HydrophobicContact CE1-CG 4.41Å; P107-S109 PolarHBondContact O-N 3.42Å; P107-N110 WeakPolarHBondContact CD-ND2 3.31Å; P107-N110 HydrophobicContact CG-CB 4.13Å; P107-N110 WeakPolarHBondContact O-CB 3.37Å; P107-N110 PolarHBondContact O-N 3.01Å
108E86.7Confident83.5Confident100 Ų10059.8 Ų59.847%0.46733%0.325SS..G310 helixtrans-53.1-32.3177.5-173173.3-175.900112.6V89 Y91 N110 L111V89-E108 HydrophobicContact CB-CB 4.41Å; V89-E108 PolarHBondContact O-N 2.8Å; Y91-E108 HydrophobicContact CD2-CB 4.43Å; Y91-E108 HydrophobicContact CE2-CB 4.1Å; Y91-E108 HydrophobicContact CE2-CG 4.16Å; E108-N110 PolarHBondContact O-N 2.89Å; E108-L111 PolarHBondContact O-N 3.4Å; E108-L111 VanDerWaalsContact O-N 3.11Å
109S89.7Confident84.1Confident78 Ų7862.9 Ų62.955%0.54534%0.34SS..G310 helixtrans-64.6-14.3174.660.40000115.2P107 H112P107-S109 PolarHBondContact O-N 3.42Å; S109-H112 PolarHBondContact O-NE2 3.36Å
110N87.9Confident84.9Confident90 Ų9069.5 Ų69.548%0.48137%0.369SS..G310 helixtrans-93.1-8176.2-72.610.1000112.2E106 P107 E108E106-N110 HydrophobicContact CB-CB 4.18Å; E106-N110 PolarHBondContact OE2-ND2 3.13Å; P107-N110 WeakPolarHBondContact CD-ND2 3.31Å; P107-N110 HydrophobicContact CG-CB 4.13Å; P107-N110 WeakPolarHBondContact O-CB 3.37Å; P107-N110 PolarHBondContact O-N 3.01Å; E108-N110 PolarHBondContact O-N 2.89Å
111L89.6Confident85.6Confident5 Ų568.6 Ų68.63%0.02636%0.362CS..  trans-105.547.3-170.3-58179.7000112.7V76 I79 Y91 V93 E106 E108 G113 C114 I118V76-L111 HydrophobicContact CG2-CD2 4.01Å; I79-L111 HydrophobicContact CD1-CD1 4.06Å; Y91-L111 HydrophobicContact CD2-CD1 3.75Å; Y91-L111 HydrophobicContact CG-CD1 4.01Å; V93-L111 HydrophobicContact CG2-CD1 4.32Å; V93-L111 HydrophobicContact CG2-CD2 3.76Å; E106-L111 HydrophobicContact CB-CD2 3.98Å; E106-L111 HydrophobicContact CB-CG 4.34Å; E106-L111 HydrophobicContact CG-CD2 4.47Å; E108-L111 PolarHBondContact O-N 3.4Å; E108-L111 VanDerWaalsContact O-N 3.11Å; L111-G113 PolarHBondContact O-N 2.66Å; L111-C114 HydrophobicContact CB-CB 4.23Å; L111-C114 WeakPolarHBondContact O-CB 3.4Å; L111-C114 PolarHBondContact O-N 2.86Å; L111-I118 HydrophobicContact CB-CD1 4.17Å; L111-I118 HydrophobicContact CD1-CD1 4.1Å
112H84.3Confident86.3Confident156 Ų15666.8 Ų66.872%0.72235%0.349SS*.THydrogen-bonded Turntrans-58.2132.1178.7-60155.1000111.7S109 C114S109-H112 PolarHBondContact O-NE2 3.36Å; H112-C114 PolarHBondContact O-N 3.02Å
113G88Confident86.7Confident65 Ų6571.6 Ų71.667%0.6737%0.372SS*.THydrogen-bonded Turntrans75.55.5177.500000114.7L111 E115L111-G113 PolarHBondContact O-N 2.66Å; G113-E115 WeakPolarHBondContact CA-OE2 3.28Å; G113-E115 PolarHBondContact N-OE1 2.88Å; G113-E115 PolarHBondContact N-OE2 3.43Å
114C88.9Confident86.5Confident20 Ų2074.6 Ų74.614%0.13539%0.394CS..  trans-103.818.1179.7-61.10000112.5V76 L111 H112 D116 L117 I118V76-C114 VanDerWaalsContact CG2-SG 3.56Å; L111-C114 HydrophobicContact CB-CB 4.23Å; L111-C114 WeakPolarHBondContact O-CB 3.4Å; L111-C114 PolarHBondContact O-N 2.86Å; H112-C114 PolarHBondContact O-N 3.02Å; C114-D116 VanDerWaalsContact C-N 3.26Å; C114-D116 PolarHBondContact O-N 3.25Å; C114-L117 PolarHBondContact O-N 3.11Å; C114-L117 VanDerWaalsContact O-N 3.12Å; C114-I118 WeakPolarHBondContact O-CG1 3.31Å; C114-I118 PolarHBondContact O-N 3.07Å
115E89.2Confident85.9Confident118 Ų11877.1 Ų77.155%0.55140%0.398SS*.Hα-helixtrans-59.4-37.3-175.4-61.979.3-172.900111.5G113 L117 I118 Q119G113-E115 WeakPolarHBondContact CA-OE2 3.28Å; G113-E115 PolarHBondContact N-OE1 2.88Å; G113-E115 PolarHBondContact N-OE2 3.43Å; E115-L117 PolarHBondContact O-N 3.11Å; E115-I118 PolarHBondContact O-N 2.8Å; E115-Q119 VanDerWaalsContact O-CB 3.24Å; E115-Q119 WeakPolarHBondContact O-CB 3.42Å; E115-Q119 PolarHBondContact O-N 3.21Å
116D91.3Very high85Confident140 Ų14073.4 Ų73.475%0.74939%0.393SS*.Hα-helixtrans-64.8-39.6177.4-71-20.3000112.5C114 Q119 K120C114-D116 VanDerWaalsContact C-N 3.26Å; C114-D116 PolarHBondContact O-N 3.25Å; D116-Q119 PolarHBondContact O-N 2.94Å; D116-K120 WeakPolarHBondContact O-CB 3.32Å; D116-K120 PolarHBondContact O-N 2.54Å
117L91Very high83.8Confident58 Ų5875.4 Ų75.430%0.30441%0.411SS..Hα-helixtrans-69.2-39.5177.4-67.1-180000111V76 I79 C114 E115 F121V76-L117 HydrophobicContact CB-CD1 4.04Å; V76-L117 HydrophobicContact CG1-CD1 3.65Å; I79-L117 HydrophobicContact CG1-CB 4.12Å; C114-L117 PolarHBondContact O-N 3.11Å; C114-L117 VanDerWaalsContact O-N 3.12Å; E115-L117 PolarHBondContact O-N 3.11Å; L117-F121 WeakPolarHBondContact O-CB 3.21Å; L117-F121 PolarHBondContact O-N 2.87Å
118I89.3Confident82.1Confident13 Ų1379.5 Ų79.57%0.06744%0.436CS..Hα-helixtrans-64.5-47174.8-68169.5000110.1I79 Y91 L111 C114 E115 F121 I122I79-I118 HydrophobicContact CD1-CG1 4.28Å; I79-I118 HydrophobicContact CG1-CG1 4.11Å; Y91-I118 HydrophobicContact CD2-CD1 4.4Å; Y91-I118 HydrophobicContact CE1-CG1 4.47Å; Y91-I118 HydrophobicContact CE1-CG2 3.96Å; Y91-I118 HydrophobicContact CE2-CD1 4.16Å; Y91-I118 HydrophobicContact CE2-CG1 4.4Å; Y91-I118 HydrophobicContact CE2-CG2 4.25Å; Y91-I118 VanDerWaalsContact OH-CG2 3.31Å; Y91-I118 WeakPolarHBondContact OH-CG2 3.43Å; L111-I118 HydrophobicContact CB-CD1 4.17Å; L111-I118 HydrophobicContact CD1-CD1 4.1Å; C114-I118 WeakPolarHBondContact O-CG1 3.31Å; C114-I118 PolarHBondContact O-N 3.07Å; E115-I118 PolarHBondContact O-N 2.8Å; I118-F121 WeakPolarHBondContact O-CB 3.43Å; I118-F121 PolarHBondContact O-N 2.91Å; I118-I122 HydrophobicContact CG2-CD1 3.71Å; I118-I122 HydrophobicContact CG2-CG1 4.42Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.38Å; I118-I122 PolarHBondContact O-N 2.84Å
119Q89Confident80.4Confident92 Ų9281.4 Ų81.443%0.4345%0.448SS..Hα-helixtrans-61.1-48.7178.8-178.361.628.800110.7E115 D116 F121 I122 E123E115-Q119 VanDerWaalsContact O-CB 3.24Å; E115-Q119 WeakPolarHBondContact O-CB 3.42Å; E115-Q119 PolarHBondContact O-N 3.21Å; D116-Q119 PolarHBondContact O-N 2.94Å; Q119-F121 VanDerWaalsContact C-N 3.27Å; Q119-F121 PolarHBondContact O-N 2.69Å; Q119-I122 PolarHBondContact O-N 3.48Å; Q119-I122 VanDerWaalsContact O-N 3.12Å; Q119-E123 HydrophobicContact CG-CG 4.48Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.42Å; Q119-E123 PolarHBondContact NE2-OE1 2.87Å; Q119-E123 WeakPolarHBondContact O-CB 3.46Å; Q119-E123 WeakPolarHBondContact O-CG 3.4Å; Q119-E123 PolarHBondContact O-N 2.8Å
120K86.9Confident78.6Confident139 Ų13978.5 Ų78.560%0.60443%0.431SS*.Hα-helixtrans-59-39176.4-174.7177.6-178.2179.30112.2D116 S124D116-K120 WeakPolarHBondContact O-CB 3.32Å; D116-K120 PolarHBondContact O-N 2.54Å; K120-S124 VanDerWaalsContact O-CB 3.31Å; K120-S124 WeakPolarHBondContact O-CB 3.31Å; K120-S124 PolarHBondContact O-N 3.01Å; K120-S124 PolarHBondContact O-OG 3.1Å
121F84.3Confident76.3Confident11 Ų1179.6 Ų79.65%0.04843%0.434CS..Hα-helixtrans-63.7-49.4173.8177.4-88000111I79 R82 L117 I118 Q119 E123 S124 Y125I79-F121 HydrophobicContact CB-CB 4.04Å; I79-F121 HydrophobicContact CB-CD2 4.08Å; I79-F121 HydrophobicContact CB-CG 4.1Å; I79-F121 HydrophobicContact CG2-CB 4.07Å; I79-F121 HydrophobicContact CG2-CD1 4.06Å; I79-F121 HydrophobicContact CG2-CD2 3.74Å; I79-F121 HydrophobicContact CG2-CE2 4.21Å; I79-F121 HydrophobicContact CG2-CG 3.66Å; I79-F121 VanDerWaalsContact O-CD2 3.23Å; I79-F121 WeakPolarHBondContact O-CD2 3.28Å; R82-F121 HydrophobicContact CB-CE1 3.7Å; R82-F121 HydrophobicContact CB-CZ 4.3Å; L117-F121 WeakPolarHBondContact O-CB 3.21Å; L117-F121 PolarHBondContact O-N 2.87Å; I118-F121 WeakPolarHBondContact O-CB 3.43Å; I118-F121 PolarHBondContact O-N 2.91Å; Q119-F121 VanDerWaalsContact C-N 3.27Å; Q119-F121 PolarHBondContact O-N 2.69Å; F121-E123 VanDerWaalsContact C-N 3.33Å; F121-E123 PolarHBondContact O-N 2.71Å; F121-S124 PolarHBondContact O-N 2.81Å; F121-Y125 HydrophobicContact CB-CD2 4.49Å; F121-Y125 HydrophobicContact CD1-CD2 4.41Å; F121-Y125 AromaticContact CD2-CD2 3.38Å; F121-Y125 HydrophobicContact CD2-CD2 3.38Å; F121-Y125 AromaticContact CD2-CE2 3.68Å; F121-Y125 HydrophobicContact CD2-CE2 3.68Å; F121-Y125 HydrophobicContact CD2-CG 4.48Å; F121-Y125 HydrophobicContact CE1-CD2 4.49Å; F121-Y125 AromaticContact CE2-CD2 3.5Å; F121-Y125 HydrophobicContact CE2-CD2 3.5Å; F121-Y125 VanDerWaalsContact CE2-CD2 3.5Å; F121-Y125 AromaticContact CE2-CE2 3.94Å; F121-Y125 HydrophobicContact CE2-CE2 3.94Å; F121-Y125 HydrophobicContact CE2-CG 4.25Å; F121-Y125 AromaticContact CG-CD2 3.87Å; F121-Y125 HydrophobicContact CG-CD2 3.87Å; F121-Y125 HydrophobicContact CG-CE2 4.45Å; F121-Y125 HydrophobicContact CZ-CD2 4.06Å; F121-Y125 HydrophobicContact CZ-CG 4.47Å; F121-Y125 WeakPolarHBondContact O-CB 3.23Å; F121-Y125 WeakPolarHBondContact O-CD2 3.24Å; F121-Y125 PolarHBondContact O-N 2.65Å
122I83.5Confident74.4Confident46 Ų4682.9 Ų82.924%0.23645%0.451CS..Hα-helixtrans-62.8-39.3179.7-67167.4000111.5I118 Q119 S124 G126I118-I122 HydrophobicContact CG2-CD1 3.71Å; I118-I122 HydrophobicContact CG2-CG1 4.42Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.38Å; I118-I122 PolarHBondContact O-N 2.84Å; Q119-I122 PolarHBondContact O-N 3.48Å; Q119-I122 VanDerWaalsContact O-N 3.12Å; I122-S124 VanDerWaalsContact C-N 3.34Å; I122-G126 CarbonylContact O-C 3.52Å; I122-G126 WeakPolarHBondContact O-CA 3.34Å; I122-G126 PolarHBondContact O-N 3.49Å
123E82.5Confident72.5Confident139 Ų13982.5 Ų82.565%0.6544%0.443SS*.Hα-helixtrans-65.3-38.2176.1-74.6173.6-177.800112.3Q119 F121Q119-E123 HydrophobicContact CG-CG 4.48Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.42Å; Q119-E123 PolarHBondContact NE2-OE1 2.87Å; Q119-E123 WeakPolarHBondContact O-CB 3.46Å; Q119-E123 WeakPolarHBondContact O-CG 3.4Å; Q119-E123 PolarHBondContact O-N 2.8Å; F121-E123 VanDerWaalsContact C-N 3.33Å; F121-E123 PolarHBondContact O-N 2.71Å
124S75Confident70.4Confident75 Ų7584.3 Ų84.352%0.52444%0.443SS..Hα-helixtrans-76.6-33.9-178.7-58.10000112.7K120 F121 I122K120-S124 VanDerWaalsContact O-CB 3.31Å; K120-S124 WeakPolarHBondContact O-CB 3.31Å; K120-S124 PolarHBondContact O-N 3.01Å; K120-S124 PolarHBondContact O-OG 3.1Å; F121-S124 PolarHBondContact O-N 2.81Å; I122-S124 VanDerWaalsContact C-N 3.34Å
125Y67.5Low68.5Low108 Ų10885.3 Ų85.342%0.42445%0.447SS..Hα-helixtrans-123.9-4.9-166.4-55.5-68.6000114.7F121F121-Y125 HydrophobicContact CB-CD2 4.49Å; F121-Y125 HydrophobicContact CD1-CD2 4.41Å; F121-Y125 AromaticContact CD2-CD2 3.38Å; F121-Y125 HydrophobicContact CD2-CD2 3.38Å; F121-Y125 AromaticContact CD2-CE2 3.68Å; F121-Y125 HydrophobicContact CD2-CE2 3.68Å; F121-Y125 HydrophobicContact CD2-CG 4.48Å; F121-Y125 HydrophobicContact CE1-CD2 4.49Å; F121-Y125 AromaticContact CE2-CD2 3.5Å; F121-Y125 HydrophobicContact CE2-CD2 3.5Å; F121-Y125 VanDerWaalsContact CE2-CD2 3.5Å; F121-Y125 AromaticContact CE2-CE2 3.94Å; F121-Y125 HydrophobicContact CE2-CE2 3.94Å; F121-Y125 HydrophobicContact CE2-CG 4.25Å; F121-Y125 AromaticContact CG-CD2 3.87Å; F121-Y125 HydrophobicContact CG-CD2 3.87Å; F121-Y125 HydrophobicContact CG-CE2 4.45Å; F121-Y125 HydrophobicContact CZ-CD2 4.06Å; F121-Y125 HydrophobicContact CZ-CG 4.47Å; F121-Y125 WeakPolarHBondContact O-CB 3.23Å; F121-Y125 WeakPolarHBondContact O-CD2 3.24Å; F121-Y125 PolarHBondContact O-N 2.65Å
126G64.9Low66.9Low29 Ų2986.9 Ų86.930%0.29946%0.459SS..  trans80.5171.3-174.100000113.5I122 T128I122-G126 CarbonylContact O-C 3.52Å; I122-G126 WeakPolarHBondContact O-CA 3.34Å; I122-G126 PolarHBondContact O-N 3.49Å; G126-T128 VanDerWaalsContact C-N 3.32Å
127S61Low65.1Low80 Ų8085.9 Ų85.956%0.55945%0.45SS*.SBendtrans-81.7-11.8176.570.50000113.2R82R82-S127 PolarHBondContact NH1-O 2.87Å
128T52.5Low63.7Low108 Ų10886.7 Ų86.766%0.66345%0.454SS*.SBendtrans-72.6149.8175.730.10000111.9G126 G130G126-T128 VanDerWaalsContact C-N 3.32Å; T128-G130 PolarHBondContact O-N 3.21Å; T128-G130 VanDerWaalsContact O-N 3.1Å
129I52.6Low63Low139 Ų13990.5 Ų90.571%0.71348%0.475SS*.  trans-43.7114.6-178.2-61.5165.3000110.6
130G50.7Low62.4Low18 Ų1890.5 Ų90.519%0.18647%0.471CS..BIsolated β-bridgetrans-99.3121.4-177.500000111.1A81 T128A81-G130 WeakPolarHBondContact CB-O 3.42Å; T128-G130 PolarHBondContact O-N 3.21Å; T128-G130 VanDerWaalsContact O-N 3.1Å
131M40.9Very low62.1Low112 Ų11291.7 Ų91.755%0.55248%0.476SS*.PPolyproline II helixtrans-60.4149.2173.4-101.8168.554.400112.2R133 V508M131-R133 PolarHBondContact O-N 2.96Å; M131-V508 HydrophobicContact CE-CG1 3.76Å
132L48.6Very low61.9Low74 Ų7493.2 Ų93.239%0.38749%0.488SS..PPolyproline II helixtrans-62.5120.7166.3-65.1168.5000109.2A81 Y92A81-L132 HydrophobicContact CB-CD2 3.66Å; A81-L132 HydrophobicContact CB-CG 4.25Å; Y92-L132 HydrophobicContact CD1-CD2 3.1Å; Y92-L132 HydrophobicContact CD1-CG 4.47Å; Y92-L132 HydrophobicContact CE1-CD1 4.44Å; Y92-L132 HydrophobicContact CE1-CD2 3.49Å; Y92-L132 VanDerWaalsContact CE1-CD2 3.49Å; Y92-L132 HydrophobicContact CG-CD2 3.87Å
133R44.9Very low61.9Low149 Ų14991.9 Ų91.956%0.56248%0.481SS*.PPolyproline II helixtrans-72.6149.2163.8-74.8-170.9173.5-176.6-2.1109.3M131 D135 D511M131-R133 PolarHBondContact O-N 2.96Å; R133-D135 PolarHBondContact O-N 3.07Å; R133-D511 IonicContact NH2-OD2 3.57Å; R133-D511 PolarHBondContact NH2-OD2 3.37Å
134P44Very low62Low103 Ų10385.5 Ų85.567%0.66945%0.451SS*.PPolyproline II helixtrans-55.1134164.1-18.129.9000108.8
135D49.7Very low62.6Low41 Ų4185.8 Ų85.822%0.21944%0.444CS..PPolyproline II helixtrans-56.6143.6177.8-120-49.3000109.8R80 P100 R133 Q137R80-D135 IonicContact CZ-OD1 2.65Å; R80-D135 VanDerWaalsContact CZ-OD1 3.26Å; R80-D135 IonicContact CZ-OD2 2.71Å; R80-D135 IonicContact NH1-OD1 2.81Å; R80-D135 PolarHBondContact NH1-OD1 2.72Å; R80-D135 IonicContact NH1-OD2 3.41Å; R80-D135 PolarHBondContact NH1-OD2 3.26Å; R80-D135 IonicContact NH2-OD1 3.48Å; R80-D135 PolarHBondContact NH2-OD1 2.92Å; R80-D135 IonicContact NH2-OD2 2.78Å; P100-D135 WeakPolarHBondContact CB-OD2 3.43Å; P100-D135 WeakPolarHBondContact CG-OD2 3.44Å; R133-D135 PolarHBondContact O-N 3.07Å; D135-Q137 PolarHBondContact O-N 2.72Å
136N53.7Low63.4Low150 Ų15081.7 Ų81.780%0.80243%0.429SS*.  trans-67.591.5153.6-87.1-7.2000104.3L138N136-L138 PolarHBondContact O-N 3.33Å
137Q53.9Low64.5Low119 Ų11980.3 Ų80.356%0.55642%0.415SS*.  trans-51.9115.1179.8-75.6-161.8-13.800107.4D135 D139 D442D135-Q137 PolarHBondContact O-N 2.72Å; Q137-D139 PolarHBondContact O-N 3.36Å; Q137-D442 PolarHBondContact NE2-OD1 2.94Å
138L62.5Low65.8Low75 Ų7576.7 Ų76.739%0.39339%0.389SS..  trans-51.4139.2165.8-110.665.9000106.1N136 R140 S142 Q143 E146N136-L138 PolarHBondContact O-N 3.33Å; L138-R140 PolarHBondContact O-N 3.36Å; L138-S142 VanDerWaalsContact CD2-CB 3.43Å; L138-Q143 HydrophobicContact CB-CG 3.71Å; L138-Q143 PolarHBondContact O-OE1 3.35Å; L138-E146 HydrophobicContact CD2-CG 4.34Å
139D74.1Confident67.4Low93 Ų9374.5 Ų74.550%0.49737%0.374SS..  trans-55.7149.117371-82.2000108.9Q137 K141 S142 Q143Q137-D139 PolarHBondContact O-N 3.36Å; D139-K141 PolarHBondContact O-N 3.12Å; D139-K141 WeakPolarHBondContact OD2-CB 3.43Å; D139-K141 PolarHBondContact OD2-N 3.48Å; D139-S142 WeakPolarHBondContact O-CA 3.47Å; D139-S142 WeakPolarHBondContact O-CB 3.23Å; D139-S142 PolarHBondContact O-N 2.89Å; D139-S142 WeakPolarHBondContact OD1-CB 3.23Å; D139-S142 PolarHBondContact OD1-OG 2.87Å; D139-S142 PolarHBondContact OD2-N 2.66Å; D139-Q143 PolarHBondContact O-N 3.49Å; D139-Q143 VanDerWaalsContact O-N 3.08Å
140R76.7Confident68.9Low92 Ų9269.9 Ų69.935%0.34735%0.347SS..Hα-helixtrans-50.8-33-173.8-178.7170.4179.8170.12.8113.1S46 I48 L50 L138 Q143 V144S46-R140 PolarHBondContact O-NE 3.18Å; S46-R140 PolarHBondContact O-NH2 3.39Å; I48-R140 PolarHBondContact O-NH2 2.77Å; L50-R140 HydrophobicContact CD1-CG 4.44Å; L138-R140 PolarHBondContact O-N 3.36Å; R140-Q143 PolarHBondContact O-N 2.94Å; R140-V144 HydrophobicContact CG-CG2 4.39Å; R140-V144 WeakPolarHBondContact O-CB 3.29Å; R140-V144 VanDerWaalsContact O-CG2 3.24Å; R140-V144 WeakPolarHBondContact O-CG2 3.48Å; R140-V144 PolarHBondContact O-N 3.05Å
141K80.8Confident70.6Confident164 Ų16469 Ų6971%0.71334%0.338SS*.Hα-helixtrans-66.1-43.4178.1-171-171.9175.8-175.60110.9D139 V144 Q145D139-K141 PolarHBondContact O-N 3.12Å; D139-K141 WeakPolarHBondContact OD2-CB 3.43Å; D139-K141 PolarHBondContact OD2-N 3.48Å; K141-V144 PolarHBondContact O-N 2.52Å; K141-Q145 WeakPolarHBondContact O-CB 3.4Å; K141-Q145 PolarHBondContact O-N 3.05Å
142S80.5Confident72.8Confident43 Ų4367.3 Ų67.330%0.30133%0.328SS..Hα-helixtrans-65.9-38.9176.1-590000111.9L138 D139 Q145 E146L138-S142 VanDerWaalsContact CD2-CB 3.43Å; D139-S142 WeakPolarHBondContact O-CA 3.47Å; D139-S142 WeakPolarHBondContact O-CB 3.23Å; D139-S142 PolarHBondContact O-N 2.89Å; D139-S142 WeakPolarHBondContact OD1-CB 3.23Å; D139-S142 PolarHBondContact OD1-OG 2.87Å; D139-S142 PolarHBondContact OD2-N 2.66Å; S142-Q145 WeakPolarHBondContact O-CB 3.32Å; S142-Q145 PolarHBondContact O-N 2.88Å; S142-E146 PolarHBondContact O-N 2.76Å
143Q82.4Confident74.5Confident19 Ų1967.4 Ų67.49%0.08933%0.326CS..Hα-helixtrans-65.4-41.5174.8-65.3177.7-68.300112.6L50 L138 D139 R140 Q145 E146 V147L50-Q143 HydrophobicContact CD1-CB 4.24Å; L50-Q143 HydrophobicContact CD2-CB 4.2Å; L138-Q143 HydrophobicContact CB-CG 3.71Å; L138-Q143 PolarHBondContact O-OE1 3.35Å; D139-Q143 PolarHBondContact O-N 3.49Å; D139-Q143 VanDerWaalsContact O-N 3.08Å; R140-Q143 PolarHBondContact O-N 2.94Å; Q143-Q145 VanDerWaalsContact C-N 3.29Å; Q143-E146 PolarHBondContact O-N 2.9Å; Q143-V147 WeakPolarHBondContact O-CG2 3.28Å; Q143-V147 PolarHBondContact O-N 3.41Å
144V85.7Confident76.3Confident4 Ų460.3 Ų60.32%0.02430%0.3CS..Hα-helixtrans-63.3-39.5173.5169.40000110.4L45 L50 R140 K141 V147 M148L45-V144 HydrophobicContact CB-CG1 3.83Å; L45-V144 HydrophobicContact CB-CG2 4.45Å; L45-V144 HydrophobicContact CD1-CG1 4.49Å; L50-V144 HydrophobicContact CD2-CG2 4.27Å; R140-V144 HydrophobicContact CG-CG2 4.39Å; R140-V144 WeakPolarHBondContact O-CB 3.29Å; R140-V144 VanDerWaalsContact O-CG2 3.24Å; R140-V144 WeakPolarHBondContact O-CG2 3.48Å; R140-V144 PolarHBondContact O-N 3.05Å; K141-V144 PolarHBondContact O-N 2.52Å; V144-V147 PolarHBondContact O-N 3.48Å; V144-M148 HydrophobicContact CG1-CG 4.34Å; V144-M148 WeakPolarHBondContact O-CB 3.35Å; V144-M148 WeakPolarHBondContact O-CG 3.13Å; V144-M148 PolarHBondContact O-N 2.87Å
145Q86.2Confident78.3Confident81 Ų8156.1 Ų56.138%0.37927%0.272SS..Hα-helixtrans-63.3-45.1177-171.16357.600112.2K141 S142 Q143 V147 M148 D149K141-Q145 WeakPolarHBondContact O-CB 3.4Å; K141-Q145 PolarHBondContact O-N 3.05Å; S142-Q145 WeakPolarHBondContact O-CB 3.32Å; S142-Q145 PolarHBondContact O-N 2.88Å; Q143-Q145 VanDerWaalsContact C-N 3.29Å; Q145-V147 VanDerWaalsContact C-N 3.29Å; Q145-V147 PolarHBondContact O-N 3.01Å; Q145-M148 WeakPolarHBondContact O-CB 3.39Å; Q145-M148 PolarHBondContact O-N 3.18Å; Q145-M148 VanDerWaalsContact O-N 3.13Å; Q145-D149 PolarHBondContact NE2-OD1 3.41Å; Q145-D149 VanDerWaalsContact O-CG 3.26Å; Q145-D149 PolarHBondContact O-N 2.6Å
146E84.5Confident79.8Confident22 Ų2260.8 Ų60.810%0.10330%0.297CS..Hα-helixtrans-57.5-43.1175.1-75.6-173.6152.700111.5K94 P99 L138 S142 Q143 D149 R150K94-E146 IonicContact NZ-OE1 3.33Å; P99-E146 WeakPolarHBondContact CA-OE2 3.39Å; P99-E146 HydrophobicContact CG-CB 4.13Å; L138-E146 HydrophobicContact CD2-CG 4.34Å; S142-E146 PolarHBondContact O-N 2.76Å; Q143-E146 PolarHBondContact O-N 2.9Å; E146-D149 PolarHBondContact O-N 3.35Å; E146-R150 WeakPolarHBondContact O-CG 3.27Å; E146-R150 PolarHBondContact O-N 2.67Å; E146-R150 VanDerWaalsContact O-N 3.13Å
147V87.8Confident81Confident0 Ų056.6 Ų56.60%028%0.277CS..Hα-helixtrans-62.2-46.7174.91710000111.2L45 T53 Y54 L57 P99 Q143 V144 Q145 D149 R150 L151L45-V147 HydrophobicContact CD1-CB 4.44Å; L45-V147 HydrophobicContact CD1-CG1 3.73Å; L45-V147 HydrophobicContact CD2-CG1 4.47Å; T53-V147 HydrophobicContact CG2-CG1 3.88Å; T53-V147 HydrophobicContact CG2-CG2 4.12Å; Y54-V147 HydrophobicContact CD1-CG2 4.3Å; Y54-V147 HydrophobicContact CE1-CG2 3.69Å; L57-V147 HydrophobicContact CD1-CB 4.4Å; L57-V147 HydrophobicContact CD1-CG1 3.76Å; L57-V147 HydrophobicContact CD1-CG2 3.89Å; L57-V147 HydrophobicContact CD2-CG1 4.43Å; P99-V147 HydrophobicContact CG-CG2 3.97Å; Q143-V147 WeakPolarHBondContact O-CG2 3.28Å; Q143-V147 PolarHBondContact O-N 3.41Å; V144-V147 PolarHBondContact O-N 3.48Å; Q145-V147 VanDerWaalsContact C-N 3.29Å; Q145-V147 PolarHBondContact O-N 3.01Å; V147-D149 VanDerWaalsContact C-N 3.32Å; V147-D149 PolarHBondContact O-N 3.45Å; V147-R150 PolarHBondContact O-N 2.92Å; V147-L151 HydrophobicContact CG1-CD1 3.96Å; V147-L151 HydrophobicContact CG1-CG 4.28Å; V147-L151 WeakPolarHBondContact O-CG 3.43Å; V147-L151 PolarHBondContact O-N 2.98Å
148M89.4Confident82.3Confident4 Ų452 Ų522%0.0226%0.258CS..Hα-helixtrans-60.1-41.3179.7-78.6-65-64.800112.3W38 L41 D42 L45 V144 Q145 L151 K152W38-M148 HydrophobicContact CB-CE 4.46Å; W38-M148 HydrophobicContact CE3-CE 3.76Å; W38-M148 HydrophobicContact CZ3-CE 4.49Å; W38-M148 WeakPolarHBondContact O-CE 3.29Å; L41-M148 HydrophobicContact CB-SD 4.31Å; L41-M148 HydrophobicContact CD2-SD 4.14Å; L41-M148 HydrophobicContact CG-SD 3.92Å; D42-M148 HydrophobicContact CB-CE 3.92Å; D42-M148 HydrophobicContact CB-CG 4.46Å; D42-M148 HydrophobicContact CB-SD 4.19Å; L45-M148 HydrophobicContact CD1-CG 3.85Å; L45-M148 HydrophobicContact CD1-SD 3.54Å; L45-M148 VanDerWaalsContact CD1-SD 3.54Å; V144-M148 HydrophobicContact CG1-CG 4.34Å; V144-M148 WeakPolarHBondContact O-CB 3.35Å; V144-M148 WeakPolarHBondContact O-CG 3.13Å; V144-M148 PolarHBondContact O-N 2.87Å; Q145-M148 WeakPolarHBondContact O-CB 3.39Å; Q145-M148 PolarHBondContact O-N 3.18Å; Q145-M148 VanDerWaalsContact O-N 3.13Å; M148-L151 PolarHBondContact O-N 3.43Å; M148-K152 WeakPolarHBondContact O-CG 3.49Å; M148-K152 PolarHBondContact O-N 3.48Å; M148-K152 VanDerWaalsContact O-N 3.12Å
149D86.7Confident83Confident63 Ų6351.3 Ų51.334%0.33727%0.269SS..Hα-helixtrans-66.9-41.2179.7-67-18.3000111.2Q145 E146 V147 K152 E153Q145-D149 PolarHBondContact NE2-OD1 3.41Å; Q145-D149 VanDerWaalsContact O-CG 3.26Å; Q145-D149 PolarHBondContact O-N 2.6Å; E146-D149 PolarHBondContact O-N 3.35Å; V147-D149 VanDerWaalsContact C-N 3.32Å; V147-D149 PolarHBondContact O-N 3.45Å; D149-K152 PolarHBondContact O-N 2.91Å; D149-E153 PolarHBondContact O-N 3.2Å
150R82.5Confident82.8Confident41 Ų4148.1 Ų48.116%0.15525%0.254CS..Hα-helixtrans-66.9-41.2176.3-68.1-67.881.977.1-5.2112.9G97 W98 E146 V147 K152 E153 A154G97-R150 VanDerWaalsContact C-NH1 3.27Å; G97-R150 PolarHBondContact O-NH1 3.07Å; W98-R150 HydrophobicContact CD2-CG 4.37Å; W98-R150 VanDerWaalsContact CE2-CD 3.44Å; W98-R150 HydrophobicContact CE3-CG 4.35Å; E146-R150 WeakPolarHBondContact O-CG 3.27Å; E146-R150 PolarHBondContact O-N 2.67Å; E146-R150 VanDerWaalsContact O-N 3.13Å; V147-R150 PolarHBondContact O-N 2.92Å; R150-K152 VanDerWaalsContact C-N 3.31Å; R150-K152 PolarHBondContact O-N 3.24Å; R150-E153 IonicContact CZ-OE2 2.6Å; R150-E153 IonicContact NE-OE2 3.83Å; R150-E153 PolarHBondContact NE-OE2 3.33Å; R150-E153 IonicContact NH2-OE2 2.68Å; R150-E153 PolarHBondContact NH2-OE2 2.96Å; R150-E153 PolarHBondContact O-N 3.16Å; R150-A154 WeakPolarHBondContact O-CB 3.46Å; R150-A154 PolarHBondContact O-N 3.08Å
151L87.6Confident83Confident0 Ų049.3 Ų49.30%027%0.267CS..Hα-helixtrans-60.3-43175.4-72.9178.2000111.3W38 L41 L45 L57 L66 V147 M148 V155 L165 F169W38-L151 HydrophobicContact CH2-CB 4.14Å; W38-L151 HydrophobicContact CZ3-CB 3.88Å; L41-L151 HydrophobicContact CD2-CD1 3.84Å; L45-L151 HydrophobicContact CD1-CD1 4.32Å; L57-L151 HydrophobicContact CD2-CD2 3.46Å; L57-L151 VanDerWaalsContact CD2-CD2 3.46Å; L57-L151 HydrophobicContact CD2-CG 4.07Å; L66-L151 HydrophobicContact CD1-CD2 3.52Å; V147-L151 HydrophobicContact CG1-CD1 3.96Å; V147-L151 HydrophobicContact CG1-CG 4.28Å; V147-L151 WeakPolarHBondContact O-CG 3.43Å; V147-L151 PolarHBondContact O-N 2.98Å; M148-L151 PolarHBondContact O-N 3.43Å; L151-V155 VanDerWaalsContact O-CB 3.31Å; L151-V155 WeakPolarHBondContact O-CB 3.45Å; L151-V155 VanDerWaalsContact O-CG2 3.22Å; L151-V155 WeakPolarHBondContact O-CG2 3.35Å; L151-V155 PolarHBondContact O-N 3.24Å; L151-L165 HydrophobicContact CB-CD1 4.32Å; L151-L165 HydrophobicContact CD2-CD1 4.05Å; L151-F169 HydrophobicContact CD1-CE2 3.76Å; L151-F169 HydrophobicContact CD1-CZ 4.14Å; L151-F169 HydrophobicContact CD2-CE2 4.24Å
152K87.3Confident83.1Confident77 Ų7741.7 Ų41.734%0.33523%0.234SC..Hα-helixtrans-62.5-42.9177-73.2170.9-177.2171.30112.2W38 M148 D149 R150 N156W38-K152 HydrophobicContact CD2-CG 3.92Å; W38-K152 HydrophobicContact CE3-CG 3.83Å; W38-K152 HydrophobicContact CH2-CB 4.2Å; W38-K152 HydrophobicContact CH2-CG 3.61Å; W38-K152 HydrophobicContact CZ2-CB 4.31Å; W38-K152 HydrophobicContact CZ2-CG 3.68Å; W38-K152 HydrophobicContact CZ3-CG 3.67Å; M148-K152 WeakPolarHBondContact O-CG 3.49Å; M148-K152 PolarHBondContact O-N 3.48Å; M148-K152 VanDerWaalsContact O-N 3.12Å; D149-K152 PolarHBondContact O-N 2.91Å; R150-K152 VanDerWaalsContact C-N 3.31Å; R150-K152 PolarHBondContact O-N 3.24Å; K152-N156 VanDerWaalsContact O-CG 3.31Å; K152-N156 PolarHBondContact O-N 3.47Å; K152-N156 PolarHBondContact O-ND2 3.38Å
153E84.2Confident83.2Confident76 Ų7642.8 Ų42.836%0.35524%0.236SC..Hα-helixtrans-65.8-47177.8-174.7178.7-175.500112.5F68 D149 R150 V155 N156 T157F68-E153 HydrophobicContact CD1-CG 4.42Å; F68-E153 HydrophobicContact CE1-CG 4.03Å; D149-E153 PolarHBondContact O-N 3.2Å; R150-E153 IonicContact CZ-OE2 2.6Å; R150-E153 IonicContact NE-OE2 3.83Å; R150-E153 PolarHBondContact NE-OE2 3.33Å; R150-E153 IonicContact NH2-OE2 2.68Å; R150-E153 PolarHBondContact NH2-OE2 2.96Å; R150-E153 PolarHBondContact O-N 3.16Å; E153-V155 VanDerWaalsContact C-N 3.34Å; E153-V155 PolarHBondContact O-N 2.91Å; E153-N156 PolarHBondContact O-N 3.4Å; E153-T157 PolarHBondContact O-N 3.28Å
154A83Confident83.5Confident0 Ų045.7 Ų45.70%025%0.247CC..Hα-helixtrans-66.9-34.5-179.800000112.2Y61 L66 F68 R150 T157 S158Y61-A154 HydrophobicContact CE1-CB 4.34Å; L66-A154 HydrophobicContact CB-CB 4Å; L66-A154 HydrophobicContact CD1-CB 4.42Å; L66-A154 HydrophobicContact CD2-CB 3.89Å; L66-A154 HydrophobicContact CG-CB 4.32Å; F68-A154 HydrophobicContact CZ-CB 4.14Å; R150-A154 WeakPolarHBondContact O-CB 3.46Å; R150-A154 PolarHBondContact O-N 3.08Å; A154-T157 PolarHBondContact O-N 3.31Å; A154-S158 VanDerWaalsContact O-CB 3.31Å; A154-S158 WeakPolarHBondContact O-CB 3.4Å; A154-S158 PolarHBondContact O-N 2.78Å; A154-S158 PolarHBondContact O-OG 3.06Å
155V85.3Confident83.6Confident14 Ų1445.6 Ų45.69%0.08525%0.246CC..Hα-helixtrans-61.4-44.1173.6157.70000111.7W38 L66 L151 E153 T157 S158 G159 S160 L165W38-V155 HydrophobicContact CH2-CB 4.31Å; W38-V155 HydrophobicContact CH2-CG2 3.93Å; W38-V155 HydrophobicContact CZ2-CB 4.23Å; W38-V155 HydrophobicContact CZ2-CG1 4.19Å; W38-V155 HydrophobicContact CZ2-CG2 4.19Å; L66-V155 HydrophobicContact CD2-CG2 4.44Å; L151-V155 VanDerWaalsContact O-CB 3.31Å; L151-V155 WeakPolarHBondContact O-CB 3.45Å; L151-V155 VanDerWaalsContact O-CG2 3.22Å; L151-V155 WeakPolarHBondContact O-CG2 3.35Å; L151-V155 PolarHBondContact O-N 3.24Å; E153-V155 VanDerWaalsContact C-N 3.34Å; E153-V155 PolarHBondContact O-N 2.91Å; V155-T157 PolarHBondContact O-N 2.95Å; V155-T157 VanDerWaalsContact O-N 3.15Å; V155-S158 PolarHBondContact O-N 3.12Å; V155-G159 PolarHBondContact O-N 3.28Å; V155-S160 WeakPolarHBondContact CG1-O 3.06Å; V155-L165 HydrophobicContact CG2-CD1 3.44Å; V155-L165 VanDerWaalsContact CG2-CD1 3.44Å; V155-L165 HydrophobicContact CG2-CG 4.49Å
156N81.7Confident83.7Confident140 Ų14041.7 Ų41.775%0.74923%0.228SC*.Hα-helixtrans-59.7-28.1178.7-70.9-23000112.8K152 E153K152-N156 VanDerWaalsContact O-CG 3.31Å; K152-N156 PolarHBondContact O-N 3.47Å; K152-N156 PolarHBondContact O-ND2 3.38Å; E153-N156 PolarHBondContact O-N 3.4Å
157T79.5Confident83.8Confident61 Ų6144.5 Ų44.537%0.37424%0.241SC..Hα-helixtrans-92.2-45.2179.9-54.50000112.7R67 P69 E153 A154 V155R67-T157 WeakPolarHBondContact O-CB 3.33Å; P69-T157 HydrophobicContact CG-CG2 3.97Å; E153-T157 PolarHBondContact O-N 3.28Å; A154-T157 PolarHBondContact O-N 3.31Å; V155-T157 PolarHBondContact O-N 2.95Å; V155-T157 VanDerWaalsContact O-N 3.15Å
158S80.4Confident83.9Confident22 Ų2247.6 Ų47.615%0.15425%0.253CS..Hα-helixtrans-75.7-24.8-175.855.30000113.5A154 V155 S160A154-S158 VanDerWaalsContact O-CB 3.31Å; A154-S158 WeakPolarHBondContact O-CB 3.4Å; A154-S158 PolarHBondContact O-N 2.78Å; A154-S158 PolarHBondContact O-OG 3.06Å; V155-S158 PolarHBondContact O-N 3.12Å; S158-S160 WeakPolarHBondContact OG-CB 3.44Å; S158-S160 PolarHBondContact OG-N 2.76Å; S158-S160 PolarHBondContact OG-OG 3.16Å
159G76.6Confident83.9Confident62 Ų6247.4 Ų47.464%0.63925%0.252SS*.  trans769.8-170.300000113.6V155V155-G159 PolarHBondContact O-N 3.28Å
160S70.7Confident83.7Confident25 Ų2545 Ų4518%0.17524%0.24CC..  trans-65.1133.2178.2-710000111.3E65 V155 S158E65-S160 PolarHBondContact O-OG 3.14Å; V155-S160 WeakPolarHBondContact CG1-O 3.06Å; S158-S160 WeakPolarHBondContact OG-CB 3.44Å; S158-S160 PolarHBondContact OG-N 2.76Å; S158-S160 PolarHBondContact OG-OG 3.16Å
161L79.7Confident83.7Confident117 Ų11747.5 Ų47.561%0.61326%0.263SS*.  trans-75.6136.5-179.7-77.6116.3000111.8L163 Y164 L165L161-L163 PolarHBondContact O-N 3.26Å; L161-L163 VanDerWaalsContact O-N 3.07Å; L161-Y164 WeakPolarHBondContact O-CB 3.33Å; L161-Y164 PolarHBondContact O-N 2.78Å; L161-L165 PolarHBondContact O-N 3.34Å
162P82.7Confident83.5Confident4 Ų449.4 Ų49.43%0.02627%0.274CS..Hα-helixtrans-53.3-32175.8-29.235.7000114.3E34 C37 W38 Y164 L165 L166E34-P162 HydrophobicContact CB-CG 4.34Å; E34-P162 HydrophobicContact CG-CG 4.2Å; C37-P162 HydrophobicContact CB-CB 3.69Å; W38-P162 HydrophobicContact CD2-CB 4.42Å; W38-P162 HydrophobicContact CZ2-CB 4.14Å; W38-P162 HydrophobicContact CZ2-CG 3.8Å; P162-Y164 VanDerWaalsContact C-N 3.34Å; P162-Y164 PolarHBondContact O-N 2.88Å; P162-L165 PolarHBondContact O-N 2.98Å; P162-L166 PolarHBondContact O-N 2.87Å
163L84.5Confident82.8Confident66 Ų6647 Ų4735%0.34626%0.263SS..Hα-helixtrans-63.1-37.9176.1-177.963.2000112.7L32 L161 L166 E167L32-L163 HydrophobicContact CD1-CD1 4.12Å; L161-L163 PolarHBondContact O-N 3.26Å; L161-L163 VanDerWaalsContact O-N 3.07Å; L163-L166 PolarHBondContact O-N 3.49Å; L163-E167 PolarHBondContact O-N 3.26Å
164Y86.8Confident81.7Confident81 Ų8146.9 Ų46.932%0.31827%0.269SS..Hα-helixtrans-65.2-44.7177.8172.7-105.8000110.8E65 L161 P162 L166 E167 R168E65-Y164 WeakPolarHBondContact OE2-CE1 3.15Å; E65-Y164 PolarHBondContact OE2-OH 2.83Å; L161-Y164 WeakPolarHBondContact O-CB 3.33Å; L161-Y164 PolarHBondContact O-N 2.78Å; P162-Y164 VanDerWaalsContact C-N 3.34Å; P162-Y164 PolarHBondContact O-N 2.88Å; Y164-L166 VanDerWaalsContact C-N 3.34Å; Y164-L166 PolarHBondContact O-N 3.24Å; Y164-E167 WeakPolarHBondContact O-CB 3.34Å; Y164-E167 PolarHBondContact O-N 2.79Å; Y164-R168 HydrophobicContact CD1-CG 4.41Å; Y164-R168 HydrophobicContact CE1-CG 3.93Å; Y164-R168 HydrophobicContact CE2-CG 4.03Å; Y164-R168 WeakPolarHBondContact O-CG 3.42Å; Y164-R168 PolarHBondContact O-N 3.41Å
165L89Confident80.6Confident1 Ų151.5 Ų51.51%0.00529%0.294CS..Hα-helixtrans-61-43.9175.2-65.1179.7000111.6W38 L41 L60 L66 L151 V155 L161 P162 E167 R168 F169W38-L165 HydrophobicContact CH2-CD1 4.28Å; L41-L165 HydrophobicContact CD2-CB 4.29Å; L60-L165 HydrophobicContact CD1-CD2 4Å; L66-L165 HydrophobicContact CD1-CD2 4.47Å; L66-L165 HydrophobicContact CD2-CD2 4.28Å; L151-L165 HydrophobicContact CB-CD1 4.32Å; L151-L165 HydrophobicContact CD2-CD1 4.05Å; V155-L165 HydrophobicContact CG2-CD1 3.44Å; V155-L165 VanDerWaalsContact CG2-CD1 3.44Å; V155-L165 HydrophobicContact CG2-CG 4.49Å; L161-L165 PolarHBondContact O-N 3.34Å; P162-L165 PolarHBondContact O-N 2.98Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 3.04Å; L165-R168 PolarHBondContact O-N 2.83Å; L165-F169 VanDerWaalsContact O-CD2 3.28Å; L165-F169 WeakPolarHBondContact O-CD2 3.47Å; L165-F169 PolarHBondContact O-N 3.49Å
166L87.6Confident79Confident0 Ų054.3 Ų54.30%031%0.313CS..Hα-helixtrans-57.8-41175.1-179.662.2000112.2I21 L40 L41 C44 P162 L163 Y164 S170I21-L166 HydrophobicContact CG2-CD2 3.98Å; I21-L166 HydrophobicContact CG2-CG 4.43Å; L40-L166 HydrophobicContact CB-CD1 3.9Å; L40-L166 HydrophobicContact CB-CD2 3.82Å; L40-L166 HydrophobicContact CD1-CD2 3.87Å; L41-L166 HydrophobicContact CB-CD1 4.29Å; L41-L166 HydrophobicContact CD1-CD1 4.5Å; C44-L166 HydrophobicContact CB-CD1 4.48Å; P162-L166 PolarHBondContact O-N 2.87Å; L163-L166 PolarHBondContact O-N 3.49Å; Y164-L166 VanDerWaalsContact C-N 3.34Å; Y164-L166 PolarHBondContact O-N 3.24Å; L166-S170 WeakPolarHBondContact O-CB 3.24Å; L166-S170 PolarHBondContact O-N 3.43Å
167E86Confident77.7Confident81 Ų8152.6 Ų52.638%0.37931%0.307SS..Hα-helixtrans-63.4-45.5175.7-173.7163.7-152.400111.6V22 K26 L163 Y164 L165 S171V22-E167 HydrophobicContact CG1-CB 4.35Å; V22-E167 HydrophobicContact CG1-CG 4.07Å; V22-E167 HydrophobicContact CG2-CB 4.12Å; V22-E167 HydrophobicContact CG2-CG 4.47Å; K26-E167 IonicContact NZ-OE1 2.86Å; K26-E167 PolarHBondContact NZ-OE1 2.92Å; K26-E167 IonicContact NZ-OE2 2.76Å; K26-E167 PolarHBondContact NZ-OE2 3.29Å; L163-E167 PolarHBondContact O-N 3.26Å; Y164-E167 WeakPolarHBondContact O-CB 3.34Å; Y164-E167 PolarHBondContact O-N 2.79Å; L165-E167 VanDerWaalsContact C-N 3.29Å; L165-E167 PolarHBondContact O-N 3.04Å; E167-S171 PolarHBondContact O-N 3.2Å
168R90Very high76Confident65 Ų6555.7 Ų55.725%0.24532%0.321CS..Hα-helixtrans-61.6-49.9177.3-67.4-61.8-58.4-138.40.5112L56 E59 Y164 L165 S171L56-R168 HydrophobicContact CD2-CB 4.04Å; E59-R168 IonicContact OE1-CZ 2.71Å; E59-R168 IonicContact OE1-NH2 2.69Å; E59-R168 PolarHBondContact OE1-NH2 3.12Å; E59-R168 IonicContact OE2-NH2 2.94Å; Y164-R168 HydrophobicContact CD1-CG 4.41Å; Y164-R168 HydrophobicContact CE1-CG 3.93Å; Y164-R168 HydrophobicContact CE2-CG 4.03Å; Y164-R168 WeakPolarHBondContact O-CG 3.42Å; Y164-R168 PolarHBondContact O-N 3.41Å; L165-R168 PolarHBondContact O-N 2.83Å; R168-S171 PolarHBondContact O-OG 3.38Å
169F89.2Confident74.1Confident0 Ų057.8 Ų57.80%035%0.346CS..Hα-helixtrans-71.9-39.3-178.3-78.8-78.1000112.9L41 L45 I48 T53 L56 L57 L60 L151 L165 S171 L172L41-F169 HydrophobicContact CD1-CB 3.7Å; L41-F169 HydrophobicContact CD1-CD2 3.66Å; L41-F169 HydrophobicContact CD1-CG 3.85Å; L45-F169 HydrophobicContact CD2-CD1 3.39Å; L45-F169 HydrophobicContact CD2-CE1 3.64Å; L45-F169 HydrophobicContact CD2-CG 3.93Å; L45-F169 HydrophobicContact CD2-CZ 4.33Å; I48-F169 HydrophobicContact CD1-CB 4.1Å; I48-F169 HydrophobicContact CD1-CD1 4.38Å; I48-F169 WeakPolarHBondContact CD1-O 3.24Å; T53-F169 HydrophobicContact CG2-CE1 3.88Å; L56-F169 HydrophobicContact CB-CE1 4.3Å; L56-F169 HydrophobicContact CD2-CD1 3.69Å; L56-F169 HydrophobicContact CD2-CD2 4.16Å; L56-F169 HydrophobicContact CD2-CE1 3.7Å; L56-F169 HydrophobicContact CD2-CE2 4.18Å; L56-F169 HydrophobicContact CD2-CG 3.92Å; L56-F169 HydrophobicContact CD2-CZ 3.95Å; L56-F169 HydrophobicContact CG-CE1 4.24Å; L56-F169 HydrophobicContact CG-CZ 4.27Å; L57-F169 HydrophobicContact CD2-CZ 3.97Å; L57-F169 HydrophobicContact CG-CZ 4.15Å; L60-F169 HydrophobicContact CD1-CE2 4.25Å; L60-F169 HydrophobicContact CD1-CZ 4.44Å; L151-F169 HydrophobicContact CD1-CE2 3.76Å; L151-F169 HydrophobicContact CD1-CZ 4.14Å; L151-F169 HydrophobicContact CD2-CE2 4.24Å; L165-F169 VanDerWaalsContact O-CD2 3.28Å; L165-F169 WeakPolarHBondContact O-CD2 3.47Å; L165-F169 PolarHBondContact O-N 3.49Å; F169-S171 PolarHBondContact O-N 2.81Å; F169-L172 HydrophobicContact CD1-CD1 4.16Å; F169-L172 WeakPolarHBondContact O-CB 3.42Å; F169-L172 PolarHBondContact O-N 2.64Å
170S84Confident72Confident13 Ų1362.1 Ų62.19%0.09135%0.354CS..Hα-helixtrans-58.6-32.5178.6-169.10000112.4R19 L166 L172 Q173R19-S170 PolarHBondContact O-OG 3.32Å; L166-S170 WeakPolarHBondContact O-CB 3.24Å; L166-S170 PolarHBondContact O-N 3.43Å; S170-L172 PolarHBondContact O-N 3.17Å; S170-L172 VanDerWaalsContact O-N 3.17Å; S170-Q173 PolarHBondContact O-N 3.25Å
171S82.2Confident70Confident92 Ų9271.4 Ų71.464%0.64339%0.386SS*.THydrogen-bonded Turntrans-63.3-17.9175.780.20000114.6E167 R168 F169E167-S171 PolarHBondContact O-N 3.2Å; R168-S171 PolarHBondContact O-OG 3.38Å; F169-S171 PolarHBondContact O-N 2.81Å
172L82.5Confident67.8Low41 Ų4171 Ų7122%0.21539%0.39CS..THydrogen-bonded Turntrans-86.7-8.7179.7-59.6178.7000113.8I48 K52 L56 F169 S170I48-L172 HydrophobicContact CD1-CB 4.2Å; I48-L172 HydrophobicContact CG1-CB 4.36Å; I48-L172 HydrophobicContact CG2-CB 4.01Å; I48-L172 HydrophobicContact CG2-CD1 4.39Å; K52-L172 HydrophobicContact CB-CD1 4.24Å; L56-L172 HydrophobicContact CB-CD1 3.86Å; L56-L172 HydrophobicContact CD2-CD1 3.52Å; L56-L172 HydrophobicContact CD2-CG 4.23Å; L56-L172 HydrophobicContact CG-CD1 4.3Å; F169-L172 HydrophobicContact CD1-CD1 4.16Å; F169-L172 WeakPolarHBondContact O-CB 3.42Å; F169-L172 PolarHBondContact O-N 2.64Å; S170-L172 PolarHBondContact O-N 3.17Å; S170-L172 VanDerWaalsContact O-N 3.17Å
173Q72.5Confident65.3Low26 Ų2680 Ų8012%0.12143%0.425CS..SBendtrans-62.7138.1-179.3-68.6-159-7.200111C44 I48 S170 D175C44-Q173 PolarHBondContact SG-NE2 2.87Å; I48-Q173 HydrophobicContact CD1-CG 4.39Å; I48-Q173 HydrophobicContact CG1-CG 3.96Å; S170-Q173 PolarHBondContact O-N 3.25Å; Q173-D175 PolarHBondContact O-N 3.25Å
174P62.4Low62.6Low73 Ų7385.8 Ų85.847%0.47445%0.447SS..PPolyproline II helixtrans-62.8135.9-18022.9-30.7000111.7P176P174-P176 WeakPolarHBondContact O-CD 3.15Å
175D59.1Low59.8Low97 Ų9786.2 Ų86.252%0.51946%0.46SS..PPolyproline II helixtrans-73.1118.1173-175.9-12.3000109.6Q173 T177 N178Q173-D175 PolarHBondContact O-N 3.25Å; D175-T177 VanDerWaalsContact CG-OG1 3.23Å; D175-T177 PolarHBondContact O-N 2.87Å; D175-T177 WeakPolarHBondContact OD1-CB 3.23Å; D175-T177 PolarHBondContact OD1-N 2.75Å; D175-T177 PolarHBondContact OD1-OG1 2.83Å; D175-T177 PolarHBondContact OD2-OG1 3.23Å; D175-T177 VanDerWaalsContact OD2-OG1 3.13Å; D175-N178 PolarHBondContact O-N 3.39Å
176P52.3Low57Low74 Ų7492.8 Ų92.848%0.48149%0.494SS..G310 helixtrans-64.9-22.1179.728.6-36.9000113P174 G179P174-P176 WeakPolarHBondContact O-CD 3.15Å; P176-G179 PolarHBondContact O-N 2.79Å
177T53Low54.1Low104 Ų10498.1 Ų98.164%0.63853%0.529SS*.G310 helixtrans-75.9-24.3-176.165.90000113D175 G179D175-T177 VanDerWaalsContact CG-OG1 3.23Å; D175-T177 PolarHBondContact O-N 2.87Å; D175-T177 WeakPolarHBondContact OD1-CB 3.23Å; D175-T177 PolarHBondContact OD1-N 2.75Å; D175-T177 PolarHBondContact OD1-OG1 2.83Å; D175-T177 PolarHBondContact OD2-OG1 3.23Å; D175-T177 VanDerWaalsContact OD2-OG1 3.13Å; T177-G179 PolarHBondContact O-N 3.48Å
178N45.5Very low51.2Low125 Ų125100.2 Ų100.267%0.66855%0.547SS*.G310 helixtrans-80.3-4.3179.6-142.28.9000113.3D175D175-N178 PolarHBondContact O-N 3.39Å
179G39.8Very low48.4Very low66 Ų66103.3 Ų103.368%0.6857%0.567SS**G310 helixtrans-82.8-9.6175.800000115P176 T177P176-G179 PolarHBondContact O-N 2.79Å; T177-G179 PolarHBondContact O-N 3.48Å
180L31.8Very low45.6Very low154 Ų154107.3 Ų107.381%0.80659%0.589SS**  trans-112.362.5179.6-65.3175.8000110.8P182L180-P182 WeakPolarHBondContact O-CD 3.06Å
181R30.3Very low42.9Very low220 Ų220111.8 Ų111.883%0.8361%0.611SS**  trans-76.2123.8160.3-173.8171.9-84.4-146.3-1.5107.6Y183R181-Y183 PolarHBondContact O-N 2.89Å
182P33.4Very low40.7Very low109 Ų109114.5 Ų114.571%0.70861%0.613SS**  trans-56119.7172.8-2030.5000108.2L180 K184L180-P182 WeakPolarHBondContact O-CD 3.06Å; P182-K184 PolarHBondContact O-N 2.81Å
183Y28.6Very low38.6Very low191 Ų191120.7 Ų120.775%0.74964%0.638SS**  trans-48.2111.2167178.7-97.4000107.3R181 P185R181-Y183 PolarHBondContact O-N 2.89Å; Y183-P185 HydrophobicContact CD1-CG 4.28Å; Y183-P185 HydrophobicContact CE1-CB 4.16Å; Y183-P185 HydrophobicContact CE1-CG 4.41Å; Y183-P185 VanDerWaalsContact O-CD 3.22Å; Y183-P185 WeakPolarHBondContact O-CD 3.49Å
184K29Very low36.6Very low189 Ų189125.7 Ų125.782%0.82267%0.665SS**  trans-75.5111.6165.3-89.4-174.7176.1-179.40104.9P182 L186P182-K184 PolarHBondContact O-N 2.81Å; K184-L186 PolarHBondContact O-N 3.44Å; K184-L186 VanDerWaalsContact O-N 3.11Å
185P28.6Very low35.2Very low90 Ų90128.9 Ų128.958%0.58467%0.672SS**  trans-54.8125.5169.8-15.829.8000106.8Y183Y183-P185 HydrophobicContact CD1-CG 4.28Å; Y183-P185 HydrophobicContact CE1-CB 4.16Å; Y183-P185 HydrophobicContact CE1-CG 4.41Å; Y183-P185 VanDerWaalsContact O-CD 3.22Å; Y183-P185 WeakPolarHBondContact O-CD 3.49Å
186L29.1Very low34Very low138 Ų138128.7 Ų128.772%0.72368%0.678SS**  trans-50.6146.5162.8-79.1164.4000107.6K184 T188K184-L186 PolarHBondContact O-N 3.44Å; K184-L186 VanDerWaalsContact O-N 3.11Å; L186-T188 PolarHBondContact O-N 3.4Å
187P26.4Very low33.1Very low113 Ų113129.7 Ų129.773%0.73469%0.687SS**  trans-48.3115.4-179.2-2028.4000107.6I189P187-I189 VanDerWaalsContact C-N 3.26Å; P187-I189 PolarHBondContact O-N 3.17Å
188T25.8Very low32.3Very low124 Ų124133.8 Ų133.876%0.76170%0.699SS**  trans-56.3102174.8-50.70000105L186 N190L186-T188 PolarHBondContact O-N 3.4Å; T188-N190 VanDerWaalsContact C-N 3.34Å; T188-N190 PolarHBondContact O-N 3.21Å
189I30.1Very low31.8Very low130 Ų130134.9 Ų134.967%0.66770%0.703SS**  trans-56113.6167.4-65.6173.5000102.2P187 I191 L194P187-I189 VanDerWaalsContact C-N 3.26Å; P187-I189 PolarHBondContact O-N 3.17Å; I189-I191 WeakPolarHBondContact O-CG1 3.4Å; I189-I191 PolarHBondContact O-N 2.77Å; I189-L194 HydrophobicContact CG2-CD1 4.38Å
190N30.3Very low31.5Very low84 Ų84136.8 Ų136.845%0.44971%0.706SS.*  trans-69.486.6-173.2-170.2-21.8000107.2T188 E192 K193T188-N190 VanDerWaalsContact C-N 3.34Å; T188-N190 PolarHBondContact O-N 3.21Å; N190-E192 PolarHBondContact O-N 3.13Å; N190-E192 VanDerWaalsContact O-N 3.14Å; N190-E192 VanDerWaalsContact OD1-CB 3.26Å; N190-E192 WeakPolarHBondContact OD1-CB 3.33Å; N190-E192 PolarHBondContact OD1-N 2.84Å; N190-K193 PolarHBondContact O-N 3.47Å
191I28.7Very low31.4Very low107 Ų107139.2 Ų139.255%0.54971%0.713SS.*Hα-helixtrans-57.4-26.9-178.7-70.7170.4000109.3I189 K193 L194 F195I189-I191 WeakPolarHBondContact O-CG1 3.4Å; I189-I191 PolarHBondContact O-N 2.77Å; I191-K193 VanDerWaalsContact C-N 3.27Å; I191-K193 PolarHBondContact O-N 2.94Å; I191-L194 PolarHBondContact O-N 2.79Å; I191-L194 VanDerWaalsContact O-N 3.08Å; I191-F195 HydrophobicContact CG2-CD2 3.58Å; I191-F195 HydrophobicContact CG2-CE2 3.59Å; I191-F195 WeakPolarHBondContact O-CD2 3.42Å; I191-F195 PolarHBondContact O-N 2.69Å
192E35.5Very low31.4Very low149 Ų149132.2 Ų132.270%0.69671%0.71SS**Hα-helixtrans-61.6-34.7175.9-53.1-175.5150.200112.1N190 F195 S196N190-E192 PolarHBondContact O-N 3.13Å; N190-E192 VanDerWaalsContact O-N 3.14Å; N190-E192 VanDerWaalsContact OD1-CB 3.26Å; N190-E192 WeakPolarHBondContact OD1-CB 3.33Å; N190-E192 PolarHBondContact OD1-N 2.84Å; E192-F195 CarbonylContact O-C 3.54Å; E192-F195 PolarHBondContact O-N 3.15Å; E192-S196 WeakPolarHBondContact O-CB 3.47Å; E192-S196 PolarHBondContact O-N 3.42Å; E192-S196 PolarHBondContact O-OG 2.82Å
193K37.8Very low31.3Very low172 Ų172132.7 Ų132.775%0.74871%0.705SS**Hα-helixtrans-72.8-26.1175.7-88.7-168.8176.1-178.80113.5N190 I191 F195N190-K193 PolarHBondContact O-N 3.47Å; I191-K193 VanDerWaalsContact C-N 3.27Å; I191-K193 PolarHBondContact O-N 2.94Å; K193-F195 VanDerWaalsContact C-N 3.3Å
194L31.3Very low31.3Very low130 Ų130131.4 Ų131.468%0.68171%0.71SS**Hα-helixtrans-74.9-22174.3-79.4165.6000112.4I189 I191I189-L194 HydrophobicContact CG2-CD1 4.38Å; I191-L194 PolarHBondContact O-N 2.79Å; I191-L194 VanDerWaalsContact O-N 3.08Å
195F33.4Very low31.2Very low140 Ų140132.1 Ų132.161%0.61472%0.716SS**Hα-helixtrans-109.35.6177.9-66.7-71.3000114.7I191 E192 K193 S197I191-F195 HydrophobicContact CG2-CD2 3.58Å; I191-F195 HydrophobicContact CG2-CE2 3.59Å; I191-F195 WeakPolarHBondContact O-CD2 3.42Å; I191-F195 PolarHBondContact O-N 2.69Å; E192-F195 CarbonylContact O-C 3.54Å; E192-F195 PolarHBondContact O-N 3.15Å; K193-F195 VanDerWaalsContact C-N 3.3Å; F195-S197 PolarHBondContact O-N 2.96Å
196S33.7Very low31.2Very low93 Ų93132.6 Ų132.665%0.6572%0.721SS**  trans-72.38.2-177.6-75.60000115.4E192E192-S196 WeakPolarHBondContact O-CB 3.47Å; E192-S196 PolarHBondContact O-N 3.42Å; E192-S196 PolarHBondContact O-OG 2.82Å
197S33.2Very low31.2Very low96 Ų96133.5 Ų133.567%0.67173%0.725SS**SBendtrans-114104166.363.20000110.3F195F195-S197 PolarHBondContact O-N 2.96Å
198Q36.2Very low31.2Very low190 Ų190133.2 Ų133.289%0.88873%0.725SS**SBendtrans96.520.3155.1-52.1-170.7-2000121.2
199I34.3Very low31.4Very low147 Ų147135.4 Ų135.475%0.75473%0.732SS**  trans-114.696.1164.9-54.4-179.7000109.9Q201I199-Q201 PolarHBondContact O-N 3.14Å
200S33.8Very low31.6Very low107 Ų107138.9 Ų138.975%0.74874%0.742SS**  trans-43127.3165.845.80000111.6G202S200-G202 PolarHBondContact O-N 3.21Å
201Q30.7Very low31.5Very low205 Ų205145.8 Ų145.896%0.95876%0.762SS**SBendtrans-38.8119.8172.9-66.4166-29.600112I199I199-Q201 PolarHBondContact O-N 3.14Å
202G29.5Very low31.6Very low73 Ų73145.8 Ų145.875%0.75377%0.769SS**  trans165.3-0.2166.600000120.9S200S200-G202 PolarHBondContact O-N 3.21Å
203I31.7Very low31.4Very low118 Ų118143.9 Ų143.961%0.60577%0.77SS**  trans-131.35.5-170.9-54.7-175.3000116.1E205 K231I203-E205 PolarHBondContact O-N 3.04Å; I203-K231 VanDerWaalsContact CD1-NZ 3.34Å
204I27.8Very low31.1Very low165 Ų165138.8 Ų138.885%0.84676%0.756SS**G310 helixtrans-83.1-8.7-173.8-62.7-179.7000114.9S206I204-S206 PolarHBondContact O-N 3.16Å
205E28.4Very low31.4Very low204 Ų204138.4 Ų138.495%0.95376%0.758SS**G310 helixtrans-87.323.5-174.2-75.6-170.816100117.4I203I203-E205 PolarHBondContact O-N 3.04Å
206S27.9Very low31.8Very low99 Ų99135 Ų13569%0.69276%0.756SS**G310 helixtrans-136.117.8178.765.50000117.9I204 S208I204-S206 PolarHBondContact O-N 3.16Å; S206-S208 VanDerWaalsContact C-N 3.32Å; S206-S208 PolarHBondContact O-N 2.81Å; S206-S208 VanDerWaalsContact O-N 3.13Å
207I27.8Very low32.2Very low158 Ų158135.6 Ų135.681%0.8175%0.752SS**  trans-90.176.5170.6-51.2179.4000108.9L209I207-L209 PolarHBondContact O-N 3.1Å
208S28.3Very low32.4Very low106 Ų106138 Ų13874%0.74176%0.756SS**  trans-64.3125.5173-170.30000110.3S206 K210S206-S208 VanDerWaalsContact C-N 3.32Å; S206-S208 PolarHBondContact O-N 2.81Å; S206-S208 VanDerWaalsContact O-N 3.13Å; S208-K210 PolarHBondContact O-N 3.18Å; S208-K210 VanDerWaalsContact O-N 3.13Å
209L29.4Very low32.2Very low171 Ų171134.7 Ų134.790%0.89574%0.744SS**  trans-46.2114.7171.1-79.6141.7000109.8I207 R211I207-L209 PolarHBondContact O-N 3.1Å; L209-R211 PolarHBondContact O-N 3.36Å
210K34.4Very low32.3Very low202 Ų202133.6 Ų133.688%0.87875%0.747SS**PPolyproline II helixtrans-59.9124-174.1-72.6-176.8178.2178.60110.8S208S208-K210 PolarHBondContact O-N 3.18Å; S208-K210 VanDerWaalsContact O-N 3.13Å
211R28.4Very low32.6Very low229 Ų229134.4 Ų134.486%0.86475%0.747SS**PPolyproline II helixtrans-57.9147.9169.7-166.9178.6-174.7-1761.2110.4L209L209-R211 PolarHBondContact O-N 3.36Å
212P29.8Very low33.1Very low107 Ų107128.9 Ų128.970%0.69573%0.731SS**PPolyproline II helixtrans-54.9145.6173.619.9-32.6000112S214P212-S214 PolarHBondContact O-N 3.2Å
213P32.1Very low33.5Very low110 Ų110132.1 Ų132.171%0.71474%0.736SS**PPolyproline II helixtrans-61133.9-173.122.8-31.4000111.3D217P213-D217 WeakPolarHBondContact CA-OD2 3.3Å; P213-D217 HydrophobicContact CB-CB 4.18Å
214S30.5Very low34.1Very low65 Ų65134.8 Ų134.846%0.45574%0.743SS.*PPolyproline II helixtrans-86.9165.3174.675.40000110.5P212 A216 D217P212-S214 PolarHBondContact O-N 3.2Å; S214-A216 PolarHBondContact O-N 3.27Å; S214-A216 PolarHBondContact OG-N 2.99Å; S214-D217 PolarHBondContact N-OD2 2.89Å; S214-D217 WeakPolarHBondContact O-CB 3.48Å; S214-D217 PolarHBondContact O-N 3.04Å; S214-D217 PolarHBondContact OG-OD2 3.07Å
215V39Very low35Very low122 Ų122137.8 Ų137.874%0.73974%0.744SS**G310 helixtrans-55.8-25.8176.3-179.50000112.4D217 L218V215-D217 PolarHBondContact O-N 2.67Å; V215-L218 PolarHBondContact O-N 3.35Å
216A41.4Very low36.4Very low68 Ų68134.5 Ų134.556%0.56273%0.732SS**G310 helixtrans-65.8-26.6175.700000113.1S214 L218 L219S214-A216 PolarHBondContact O-N 3.27Å; S214-A216 PolarHBondContact OG-N 2.99Å; A216-L218 VanDerWaalsContact C-N 3.26Å; A216-L218 PolarHBondContact O-N 2.93Å; A216-L219 PolarHBondContact O-N 3.38Å
217D41.9Very low38.1Very low105 Ų105141 Ų14156%0.56174%0.741SS**G310 helixtrans-77.4-12.9179.2-57.1-49.6000112.5P213 S214 V215P213-D217 WeakPolarHBondContact CA-OD2 3.3Å; P213-D217 HydrophobicContact CB-CB 4.18Å; S214-D217 PolarHBondContact N-OD2 2.89Å; S214-D217 WeakPolarHBondContact O-CB 3.48Å; S214-D217 PolarHBondContact O-N 3.04Å; S214-D217 PolarHBondContact OG-OD2 3.07Å; V215-D217 PolarHBondContact O-N 2.67Å
218L36.8Very low40Very low146 Ų146136.2 Ų136.276%0.76472%0.717SS**G310 helixtrans-88-5.1176.9-65.1172.8000113.3V215 A216V215-L218 PolarHBondContact O-N 3.35Å; A216-L218 VanDerWaalsContact C-N 3.26Å; A216-L218 PolarHBondContact O-N 2.93Å
219L32.6Very low42.4Very low121 Ų121133.8 Ų133.863%0.63470%0.699SS**SBendtrans-75.9140.8174.2-64.3178.1000109.6A216 V221A216-L219 PolarHBondContact O-N 3.38Å; L219-V221 PolarHBondContact O-N 2.96Å
220P36.7Very low44.9Very low125 Ų125136.5 Ų136.581%0.81270%0.698SS**  trans-55.8114.2177.721.4-30.6000109S222P220-S222 PolarHBondContact O-N 2.66Å
221V39.3Very low47.2Very low123 Ų123132.6 Ų132.675%0.74568%0.681SS**  trans-51.2118.3-179.2178.30000107.8L219 T223L219-V221 PolarHBondContact O-N 2.96Å; V221-T223 PolarHBondContact O-N 3.3Å
222S40.7Very low49.7Very low89 Ų89125.7 Ų125.762%0.62266%0.661SS**  trans-50.2117.4172.7-178.60000108.3P220 K224P220-S222 PolarHBondContact O-N 2.66Å; S222-K224 PolarHBondContact O-N 3.46Å
223T38.9Very low52.4Low142 Ų142126.1 Ų126.187%0.87165%0.652SS**  trans-71.722.9-176.349.50000113.5V221 R225V221-T223 PolarHBondContact O-N 3.3Å; T223-R225 PolarHBondContact O-N 2.85Å
224K45Very low55Low174 Ų174127.1 Ų127.176%0.75765%0.647SS**  trans-64102.6166.1-79.5-172.8177.3178.90107S222 I226S222-K224 PolarHBondContact O-N 3.46Å; K224-I226 PolarHBondContact O-N 3.15Å
225R46.4Very low57.7Low227 Ų227128 Ų12886%0.85765%0.65SS**  trans-46.6102.2173.5-150.7-179.6-159170.34.6108.1T223 R227T223-R225 PolarHBondContact O-N 2.85Å; R225-R227 PolarHBondContact O-N 3.28Å; R225-R227 VanDerWaalsContact O-N 3.08Å
226I56.3Low60.1Low135 Ų135122.6 Ų122.669%0.69262%0.616SS**  trans-64.6115.7-179.4-62.2174.2000105.6K224 L228K224-I226 PolarHBondContact O-N 3.15Å; I226-L228 PolarHBondContact O-N 3.48Å; I226-L228 VanDerWaalsContact O-N 3.12Å
227R64.3Low62.5Low237 Ų237123.1 Ų123.189%0.89461%0.61SS**  trans-72.1106.6170.6-79-174.6-179.6150.4-0.3107R225R225-R227 PolarHBondContact O-N 3.28Å; R225-R227 VanDerWaalsContact O-N 3.08Å
228L67.1Low64.9Low57 Ų57121.5 Ų121.530%0.29861%0.607SS.*  trans-64.3141.4173.4-70.3168000110.5I226 D232 K233 L236I226-L228 PolarHBondContact O-N 3.48Å; I226-L228 VanDerWaalsContact O-N 3.12Å; L228-D232 HydrophobicContact CB-CB 4.49Å; L228-D232 HydrophobicContact CD2-CB 4.13Å; L228-K233 HydrophobicContact CB-CB 4.35Å; L228-L236 HydrophobicContact CD1-CD2 4.17Å
229S79.8Confident67.6Low54 Ų54115.8 Ų115.838%0.37858%0.581SS.*  trans-61.1155.9169.381.50000109.3K231 D232 K233S229-K231 PolarHBondContact O-N 2.96Å; S229-K231 PolarHBondContact OG-N 2.66Å; S229-D232 WeakPolarHBondContact CB-OD2 3.4Å; S229-D232 PolarHBondContact O-N 3.02Å; S229-D232 PolarHBondContact OG-N 3.38Å; S229-D232 VanDerWaalsContact OG-N 3.09Å; S229-D232 PolarHBondContact OG-OD2 2.95Å; S229-K233 PolarHBondContact O-N 2.86Å
230R81.8Confident70.5Confident228 Ų228110.5 Ų110.586%0.8655%0.553SS**Hα-helixtrans-56.2-34.3177.3-172.4177.4179175-0.2111.7Q234R230-Q234 PolarHBondContact O-N 3.45Å
231K82.5Confident73.3Confident120 Ų120107.1 Ų107.152%0.52253%0.532SS..Hα-helixtrans-71.7-47.6178.8-173.8176.6177.7-178.60111.7I203 S229 K233 Q234 V235I203-K231 VanDerWaalsContact CD1-NZ 3.34Å; S229-K231 PolarHBondContact O-N 2.96Å; S229-K231 PolarHBondContact OG-N 2.66Å; K231-K233 VanDerWaalsContact C-N 3.3Å; K231-K233 PolarHBondContact O-N 3.33Å; K231-Q234 WeakPolarHBondContact O-CB 3.23Å; K231-Q234 PolarHBondContact O-N 2.89Å; K231-Q234 VanDerWaalsContact O-N 3.12Å; K231-V235 WeakPolarHBondContact O-CG2 3.43Å; K231-V235 PolarHBondContact O-N 3.29Å
232D81.3Confident75.9Confident84 Ų84103.9 Ų103.945%0.44952%0.518SS..Hα-helixtrans-64.1-39.5-179.5-55.9-35.9000111.3L228 S229 Q234 V235 L236L228-D232 HydrophobicContact CB-CB 4.49Å; L228-D232 HydrophobicContact CD2-CB 4.13Å; S229-D232 WeakPolarHBondContact CB-OD2 3.4Å; S229-D232 PolarHBondContact O-N 3.02Å; S229-D232 PolarHBondContact OG-N 3.38Å; S229-D232 VanDerWaalsContact OG-N 3.09Å; S229-D232 PolarHBondContact OG-OD2 2.95Å; D232-Q234 VanDerWaalsContact C-N 3.33Å; D232-Q234 PolarHBondContact O-N 3.29Å; D232-V235 PolarHBondContact O-N 2.83Å; D232-L236 WeakPolarHBondContact O-CB 3.24Å; D232-L236 PolarHBondContact O-N 2.89Å
233K85Confident78.5Confident117 Ų117100 Ų10051%0.50949%0.49SS..Hα-helixtrans-59.9-44.1173.5-175.3177.4178-177.30111.6L228 S229 K231 V235 L236 D237L228-K233 HydrophobicContact CB-CB 4.35Å; S229-K233 PolarHBondContact O-N 2.86Å; K231-K233 VanDerWaalsContact C-N 3.3Å; K231-K233 PolarHBondContact O-N 3.33Å; K233-V235 VanDerWaalsContact C-N 3.35Å; K233-V235 PolarHBondContact O-N 3.44Å; K233-L236 PolarHBondContact O-N 3.1Å; K233-D237 WeakPolarHBondContact O-CB 3.3Å; K233-D237 PolarHBondContact O-N 3.34Å
234Q87.8Confident81.2Confident131 Ų13196.2 Ų96.261%0.61246%0.463SS*.Hα-helixtrans-64.4-38.7178.6-173.7173.812.400112.5R230 K231 D232 S238R230-Q234 PolarHBondContact O-N 3.45Å; K231-Q234 WeakPolarHBondContact O-CB 3.23Å; K231-Q234 PolarHBondContact O-N 2.89Å; K231-Q234 VanDerWaalsContact O-N 3.12Å; D232-Q234 VanDerWaalsContact C-N 3.33Å; D232-Q234 PolarHBondContact O-N 3.29Å; Q234-S238 WeakPolarHBondContact O-CB 3.24Å; Q234-S238 PolarHBondContact O-N 3.25Å; Q234-S238 PolarHBondContact O-OG 2.74Å
235V86.4Confident83.6Confident83 Ų8394.1 Ų94.150%0.50346%0.455SS..Hα-helixtrans-64.8-46.9175.1173.40000110.6K231 D232 K233 S238 A239K231-V235 WeakPolarHBondContact O-CG2 3.43Å; K231-V235 PolarHBondContact O-N 3.29Å; D232-V235 PolarHBondContact O-N 2.83Å; K233-V235 VanDerWaalsContact C-N 3.35Å; K233-V235 PolarHBondContact O-N 3.44Å; V235-S238 PolarHBondContact O-N 3.38Å; V235-A239 PolarHBondContact O-N 2.91Å
236L89.5Confident85.8Confident8 Ų886.1 Ų86.14%0.04243%0.427CS..Hα-helixtrans-59.7-50.7176.7-179.565000111.3L228 D232 K233 S238 A239 L240 N261 E266L228-L236 HydrophobicContact CD1-CD2 4.17Å; D232-L236 WeakPolarHBondContact O-CB 3.24Å; D232-L236 PolarHBondContact O-N 2.89Å; K233-L236 PolarHBondContact O-N 3.1Å; L236-S238 PolarHBondContact O-N 2.95Å; L236-A239 PolarHBondContact O-N 2.82Å; L236-A239 VanDerWaalsContact O-N 3.08Å; L236-L240 HydrophobicContact CD1-CD1 4.37Å; L236-L240 HydrophobicContact CD1-CD2 4.48Å; L236-L240 HydrophobicContact CD1-CG 4.24Å; L236-L240 HydrophobicContact CG-CD1 4Å; L236-L240 HydrophobicContact CG-CG 4.3Å; L236-L240 VanDerWaalsContact O-CG 3.27Å; L236-L240 WeakPolarHBondContact O-CG 3.32Å; L236-L240 PolarHBondContact O-N 3.3Å; L236-N261 HydrophobicContact CD2-CB 4.43Å; L236-E266 WeakPolarHBondContact CD1-O 3.33Å
237D91.6Very high87.6Confident79 Ų7979.7 Ų79.742%0.42239%0.394SS..Hα-helixtrans-58.5-37.9179.4-70.6-20.7000111.3K233 S241K233-D237 WeakPolarHBondContact O-CB 3.3Å; K233-D237 PolarHBondContact O-N 3.34Å; D237-S241 WeakPolarHBondContact O-CB 3.41Å; D237-S241 PolarHBondContact O-N 2.99Å
238S92.6Very high89Confident71 Ų7170.4 Ų70.450%0.49736%0.362SS..Hα-helixtrans-67.1-43.1175.4-57.10000112Q234 V235 L236 S241 A242Q234-S238 WeakPolarHBondContact O-CB 3.24Å; Q234-S238 PolarHBondContact O-N 3.25Å; Q234-S238 PolarHBondContact O-OG 2.74Å; V235-S238 PolarHBondContact O-N 3.38Å; L236-S238 PolarHBondContact O-N 2.95Å; S238-S241 PolarHBondContact O-N 3.32Å; S238-A242 WeakPolarHBondContact O-CB 3.34Å; S238-A242 PolarHBondContact O-N 3.43Å
239A93.1Very high90.1Very high26 Ų2672.7 Ų72.722%0.21538%0.378CS..Hα-helixtrans-65.9-41.4177.400000112.2V235 L236 A242 F243V235-A239 PolarHBondContact O-N 2.91Å; L236-A239 PolarHBondContact O-N 2.82Å; L236-A239 VanDerWaalsContact O-N 3.08Å; A239-A242 PolarHBondContact O-N 2.77Å; A239-F243 WeakPolarHBondContact O-CB 3.13Å; A239-F243 PolarHBondContact O-N 2.81Å
240L94.8Very high90.4Very high11 Ų1171.8 Ų71.86%0.05837%0.371CS..Hα-helixtrans-62.2-44.6174.8-64.5173.1000111.1L236 F243 Q244 V259 N261 P268 W392L236-L240 HydrophobicContact CD1-CD1 4.37Å; L236-L240 HydrophobicContact CD1-CD2 4.48Å; L236-L240 HydrophobicContact CD1-CG 4.24Å; L236-L240 HydrophobicContact CG-CD1 4Å; L236-L240 HydrophobicContact CG-CG 4.3Å; L236-L240 VanDerWaalsContact O-CG 3.27Å; L236-L240 WeakPolarHBondContact O-CG 3.32Å; L236-L240 PolarHBondContact O-N 3.3Å; L240-F243 PolarHBondContact O-N 3.27Å; L240-Q244 VanDerWaalsContact O-CB 3.31Å; L240-Q244 WeakPolarHBondContact O-CB 3.36Å; L240-Q244 PolarHBondContact O-N 3.1Å; L240-V259 HydrophobicContact CD2-CG1 3.73Å; L240-N261 HydrophobicContact CD1-CB 4.11Å; L240-N261 HydrophobicContact CD2-CB 4.18Å; L240-P268 HydrophobicContact CD2-CG 4.24Å; L240-W392 HydrophobicContact CD2-CH2 3.65Å; L240-W392 HydrophobicContact CD2-CZ3 4.34Å
241S95.3Very high90.3Very high53 Ų5362.7 Ų62.737%0.37134%0.337SS..Hα-helixtrans-62.7-45.5177.2-175.80000112.1D237 S238 F243 Q244 Q245D237-S241 WeakPolarHBondContact O-CB 3.41Å; D237-S241 PolarHBondContact O-N 2.99Å; S238-S241 PolarHBondContact O-N 3.32Å; S241-F243 PolarHBondContact O-N 3.01Å; S241-Q244 WeakPolarHBondContact O-CB 3.31Å; S241-Q244 PolarHBondContact O-N 2.86Å; S241-Q245 WeakPolarHBondContact O-CG 3.44Å; S241-Q245 PolarHBondContact O-N 2.8Å
242A94.6Very high89.8Confident55 Ų5559.8 Ų59.846%0.45533%0.331SS..Hα-helixtrans-62.2-42.9176.900000111.8S238 A239 Q245 K246S238-A242 WeakPolarHBondContact O-CB 3.34Å; S238-A242 PolarHBondContact O-N 3.43Å; A239-A242 PolarHBondContact O-N 2.77Å; A242-Q245 PolarHBondContact O-N 2.86Å; A242-K246 WeakPolarHBondContact O-CB 3.48Å; A242-K246 PolarHBondContact O-N 2.86Å
243F94.9Very high89.6Confident8 Ų863.3 Ų63.34%0.03535%0.35CS..Hα-helixtrans-67.3-40177.2-170.2-116.8000112.4A239 L240 S241 Q245 K246 L247 V259 P268 P269 F272 F458A239-F243 WeakPolarHBondContact O-CB 3.13Å; A239-F243 PolarHBondContact O-N 2.81Å; L240-F243 PolarHBondContact O-N 3.27Å; S241-F243 PolarHBondContact O-N 3.01Å; F243-Q245 VanDerWaalsContact C-N 3.33Å; F243-Q245 PolarHBondContact O-N 3.01Å; F243-K246 WeakPolarHBondContact O-CB 3.36Å; F243-K246 PolarHBondContact O-N 2.78Å; F243-L247 HydrophobicContact CD1-CD1 3.99Å; F243-L247 HydrophobicContact CD1-CG 4.32Å; F243-L247 HydrophobicContact CE1-CD1 3.58Å; F243-L247 HydrophobicContact CE1-CD2 4.38Å; F243-L247 HydrophobicContact CE1-CG 4.01Å; F243-L247 HydrophobicContact CE2-CD2 4.38Å; F243-L247 HydrophobicContact CE2-CG 4.42Å; F243-L247 HydrophobicContact CZ-CD1 4.04Å; F243-L247 HydrophobicContact CZ-CD2 3.98Å; F243-L247 HydrophobicContact CZ-CG 4.04Å; F243-L247 WeakPolarHBondContact O-CG 3.14Å; F243-L247 PolarHBondContact O-N 3.42Å; F243-V259 HydrophobicContact CD1-CG1 4.09Å; F243-V259 HydrophobicContact CD1-CG2 3.95Å; F243-P268 HydrophobicContact CB-CB 3.96Å; F243-P268 HydrophobicContact CB-CG 3.51Å; F243-P268 HydrophobicContact CD1-CB 3.39Å; F243-P268 HydrophobicContact CD1-CG 3.95Å; F243-P268 HydrophobicContact CD2-CB 4.2Å; F243-P268 HydrophobicContact CD2-CG 4.48Å; F243-P268 HydrophobicContact CE1-CB 3.85Å; F243-P268 HydrophobicContact CG-CB 3.59Å; F243-P268 HydrophobicContact CG-CG 3.75Å; F243-P268 HydrophobicContact CZ-CB 4.45Å; F243-P269 WeakPolarHBondContact CE2-O 3.46Å; F243-P269 HydrophobicContact CZ-CG 4.26Å; F243-F272 HydrophobicContact CE2-CB 4.38Å; F243-F272 HydrophobicContact CE2-CD1 4.27Å; F243-F272 HydrophobicContact CZ-CD1 4.18Å; F243-F458 HydrophobicContact CE1-CZ 4.16Å; F243-F458 HydrophobicContact CZ-CE1 4.38Å; F243-F458 HydrophobicContact CZ-CE2 4.17Å; F243-F458 AromaticContact CZ-CZ 3.64Å; F243-F458 HydrophobicContact CZ-CZ 3.64Å
244Q95.5Very high89.6Confident63 Ų6363.9 Ų63.929%0.29436%0.355SS..Hα-helixtrans-58.4-45.6173.1-173.9179.7-73.300111.4L240 S241 L247 N248 I257 T258 V259L240-Q244 VanDerWaalsContact O-CB 3.31Å; L240-Q244 WeakPolarHBondContact O-CB 3.36Å; L240-Q244 PolarHBondContact O-N 3.1Å; S241-Q244 WeakPolarHBondContact O-CB 3.31Å; S241-Q244 PolarHBondContact O-N 2.86Å; Q244-L247 PolarHBondContact O-N 3.43Å; Q244-N248 PolarHBondContact O-N 2.87Å; Q244-N248 VanDerWaalsContact O-N 3.13Å; Q244-N248 PolarHBondContact O-ND2 2.97Å; Q244-I257 WeakPolarHBondContact CG-O 3.48Å; Q244-T258 VanDerWaalsContact OE1-CA 3.26Å; Q244-V259 HydrophobicContact CB-CB 4.22Å; Q244-V259 HydrophobicContact CB-CG2 3.72Å; Q244-V259 HydrophobicContact CG-CG2 4.21Å; Q244-V259 VanDerWaalsContact OE1-N 3.08Å
245Q94.2Very high89.8Confident129 Ų12957.7 Ų57.760%0.60333%0.326SS*.Hα-helixtrans-61.3-47.1175.2-70.8174.124.400110.7S241 A242 F243 L247 N248 T249S241-Q245 WeakPolarHBondContact O-CG 3.44Å; S241-Q245 PolarHBondContact O-N 2.8Å; A242-Q245 PolarHBondContact O-N 2.86Å; F243-Q245 VanDerWaalsContact C-N 3.33Å; F243-Q245 PolarHBondContact O-N 3.01Å; Q245-L247 PolarHBondContact O-N 3.32Å; Q245-N248 PolarHBondContact O-N 3.17Å; Q245-T249 WeakPolarHBondContact O-CG2 3.45Å; Q245-T249 PolarHBondContact O-N 3.05Å
246K93.8Very high90.2Very high60 Ų6056.6 Ų56.626%0.26132%0.321SS..Hα-helixtrans-54.1-51.6177.2-164.8-176-171.9-1730111.3A242 F243 N248 T249 V270 F272 P274A242-K246 WeakPolarHBondContact O-CB 3.48Å; A242-K246 PolarHBondContact O-N 2.86Å; F243-K246 WeakPolarHBondContact O-CB 3.36Å; F243-K246 PolarHBondContact O-N 2.78Å; K246-N248 VanDerWaalsContact C-N 3.35Å; K246-N248 PolarHBondContact O-N 2.78Å; K246-T249 WeakPolarHBondContact O-CB 2.99Å; K246-T249 WeakPolarHBondContact O-CG2 3.41Å; K246-T249 PolarHBondContact O-N 3.4Å; K246-T249 VanDerWaalsContact O-N 3.17Å; K246-T249 PolarHBondContact O-OG1 3.04Å; K246-V270 PolarHBondContact NZ-O 2.99Å; K246-F272 WeakPolarHBondContact CE-O 3.11Å; K246-F272 PolarHBondContact NZ-O 2.9Å; K246-P274 HydrophobicContact CG-CG 4.02Å; K246-P274 WeakPolarHBondContact O-CG 3.42Å
247L93.1Very high90.6Very high0 Ų056.3 Ų56.30%032%0.319CS..Hα-helixtrans-60.3-41.8179.4-71-178.5000112.5F243 Q244 Q245 T249 Y251 I257 V259 F272 P274 V384F243-L247 HydrophobicContact CD1-CD1 3.99Å; F243-L247 HydrophobicContact CD1-CG 4.32Å; F243-L247 HydrophobicContact CE1-CD1 3.58Å; F243-L247 HydrophobicContact CE1-CD2 4.38Å; F243-L247 HydrophobicContact CE1-CG 4.01Å; F243-L247 HydrophobicContact CE2-CD2 4.38Å; F243-L247 HydrophobicContact CE2-CG 4.42Å; F243-L247 HydrophobicContact CZ-CD1 4.04Å; F243-L247 HydrophobicContact CZ-CD2 3.98Å; F243-L247 HydrophobicContact CZ-CG 4.04Å; F243-L247 WeakPolarHBondContact O-CG 3.14Å; F243-L247 PolarHBondContact O-N 3.42Å; Q244-L247 PolarHBondContact O-N 3.43Å; Q245-L247 PolarHBondContact O-N 3.32Å; L247-T249 PolarHBondContact O-N 2.99Å; L247-Y251 WeakPolarHBondContact O-CD2 3.25Å; L247-I257 HydrophobicContact CB-CD1 4.26Å; L247-I257 HydrophobicContact CB-CG2 4.49Å; L247-I257 HydrophobicContact CD1-CG2 3.86Å; L247-V259 HydrophobicContact CD1-CG2 4.16Å; L247-F272 HydrophobicContact CD2-CD1 4.21Å; L247-F272 HydrophobicContact CD2-CE1 3.95Å; L247-P274 HydrophobicContact CD2-CB 4.3Å; L247-V384 HydrophobicContact CD1-CG2 3.99Å
248N94.3Very high90.8Very high41 Ų4154.9 Ų54.922%0.21931%0.313CS..Hα-helixtrans-73.9-5.7-179.4-71.3-65000114Q244 Q245 K246 V250 Y251 I257Q244-N248 PolarHBondContact O-N 2.87Å; Q244-N248 VanDerWaalsContact O-N 3.13Å; Q244-N248 PolarHBondContact O-ND2 2.97Å; Q245-N248 PolarHBondContact O-N 3.17Å; K246-N248 VanDerWaalsContact C-N 3.35Å; K246-N248 PolarHBondContact O-N 2.78Å; N248-V250 VanDerWaalsContact C-N 3.26Å; N248-V250 PolarHBondContact O-N 3.21Å; N248-Y251 PolarHBondContact O-N 3.11Å; N248-I257 PolarHBondContact ND2-O 2.82Å; N248-I257 PolarHBondContact OD1-N 2.73Å
249T90.8Very high91Very high105 Ų10552.1 Ų52.164%0.64429%0.293SS*.THydrogen-bonded Turntrans-66.5-25.6174.9630000113.8Q245 K246 L247Q245-T249 WeakPolarHBondContact O-CG2 3.45Å; Q245-T249 PolarHBondContact O-N 3.05Å; K246-T249 WeakPolarHBondContact O-CB 2.99Å; K246-T249 WeakPolarHBondContact O-CG2 3.41Å; K246-T249 PolarHBondContact O-N 3.4Å; K246-T249 VanDerWaalsContact O-N 3.17Å; K246-T249 PolarHBondContact O-OG1 3.04Å; L247-T249 PolarHBondContact O-N 2.99Å
250V86.1Confident91.2Very high36 Ų3654 Ų5422%0.21830%0.298CS..THydrogen-bonded Turntrans-103.9-1.7-179.2-57.10000113.8N248 P274 P276N248-V250 VanDerWaalsContact C-N 3.26Å; N248-V250 PolarHBondContact O-N 3.21Å; V250-P274 HydrophobicContact CG1-CB 3.98Å; V250-P274 HydrophobicContact CG1-CG 4.3Å; V250-P274 WeakPolarHBondContact CG1-O 3.41Å; V250-P274 HydrophobicContact CG2-CB 3.7Å; V250-P276 HydrophobicContact CB-CB 4.26Å
251Y78.7Confident91.1Very high37 Ų3754.4 Ų54.415%0.14530%0.3CS..SBendtrans-114.8152.7-178.2-66.1-63.5000111.9L247 N248 I257 R378 N454 I455L247-Y251 WeakPolarHBondContact O-CD2 3.25Å; N248-Y251 PolarHBondContact O-N 3.11Å; Y251-I257 HydrophobicContact CD2-CD1 3.33Å; Y251-I257 HydrophobicContact CD2-CG1 4.21Å; Y251-I257 HydrophobicContact CE2-CD1 3.14Å; Y251-I257 HydrophobicContact CE2-CG1 4.39Å; Y251-I257 HydrophobicContact CG-CD1 4.34Å; Y251-R378 PolarHBondContact OH-NH1 3.17Å; Y251-N454 WeakPolarHBondContact OH-CB 3.44Å; Y251-I455 WeakPolarHBondContact OH-CG2 3.46Å; Y251-I455 PolarHBondContact OH-N 2.95Å
252S73Confident90.8Very high58 Ų5856.2 Ų56.241%0.40631%0.313SS..  trans-72.1153.7172.674.70000112E254 A255S252-E254 PolarHBondContact O-N 3.03Å; S252-E254 VanDerWaalsContact O-N 3.12Å; S252-A255 PolarHBondContact O-N 3.48Å
253N76Confident90.5Very high159 Ų15956.4 Ų56.485%0.8531%0.308SS*.THydrogen-bonded Turntrans-63-14.4175.4-71.3-23.8000113.8A255N253-A255 PolarHBondContact O-N 2.97Å
254E86.1Confident90.1Very high129 Ų12958.3 Ų58.360%0.60332%0.318SS*.THydrogen-bonded Turntrans-69-22.3-179.8-63.1-178.3-177.400113S252 K379S252-E254 PolarHBondContact O-N 3.03Å; S252-E254 VanDerWaalsContact O-N 3.12Å; E254-K379 WeakPolarHBondContact OE2-CD 3.12Å; E254-K379 IonicContact OE2-NZ 2.73Å; E254-K379 PolarHBondContact OE2-NZ 3.36Å
255A92.2Very high89.5Confident1 Ų158.5 Ų58.51%0.00833%0.327CS..SBendtrans-140.468-17600000110.8S252 N253 R378S252-A255 PolarHBondContact O-N 3.48Å; N253-A255 PolarHBondContact O-N 2.97Å; A255-R378 HydrophobicContact CB-CB 4.45Å; A255-R378 HydrophobicContact CB-CG 3.96Å; A255-R378 VanDerWaalsContact CB-O 3.29Å; A255-R378 WeakPolarHBondContact CB-O 3.34Å; A255-R378 PolarHBondContact O-NE 2.8Å; A255-R378 PolarHBondContact O-NH2 2.82Å
256P95.2Very high89Confident60 Ų6056.5 Ų56.539%0.3932%0.318SS..  trans-62.6154.2-174.426.9-36.5000112.7P381 L382P256-P381 HydrophobicContact CG-CB 4.25Å; P256-P381 WeakPolarHBondContact O-CA 3.37Å; P256-L382 PolarHBondContact O-N 3.23Å
257I96.1Very high88.6Confident1 Ų156.3 Ų56.31%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-104.7131.2169.7-60177.7000109.3Q244 L247 N248 Y251 L382 V384 I455Q244-I257 WeakPolarHBondContact CG-O 3.48Å; L247-I257 HydrophobicContact CB-CD1 4.26Å; L247-I257 HydrophobicContact CB-CG2 4.49Å; L247-I257 HydrophobicContact CD1-CG2 3.86Å; N248-I257 PolarHBondContact ND2-O 2.82Å; N248-I257 PolarHBondContact OD1-N 2.73Å; Y251-I257 HydrophobicContact CD2-CD1 3.33Å; Y251-I257 HydrophobicContact CD2-CG1 4.21Å; Y251-I257 HydrophobicContact CE2-CD1 3.14Å; Y251-I257 HydrophobicContact CE2-CG1 4.39Å; Y251-I257 HydrophobicContact CG-CD1 4.34Å; I257-L382 VanDerWaalsContact CA-O 3.3Å; I257-L382 WeakPolarHBondContact CA-O 3.47Å; I257-V384 HydrophobicContact CG2-CG2 4.09Å; I257-I455 HydrophobicContact CD1-CB 3.76Å; I257-I455 HydrophobicContact CD1-CD1 3.76Å; I257-I455 HydrophobicContact CD1-CG1 3.99Å; I257-I455 HydrophobicContact CD1-CG2 4.27Å; I257-I455 HydrophobicContact CG1-CD1 3.98Å; I257-I455 HydrophobicContact CG2-CD1 3.91Å
258T97Very high88.2Confident49 Ų4956.5 Ų56.530%0.30133%0.325SS..EExtended strand (participates in β ladder)trans-106.2157.5166.858.40000111.3Q244 L382 C383 V384Q244-T258 VanDerWaalsContact OE1-CA 3.26Å; T258-L382 PolarHBondContact N-O 3.42Å; T258-C383 CarbonylContact O-C 3.58Å; T258-C383 VanDerWaalsContact O-CA 3.28Å; T258-C383 WeakPolarHBondContact O-CA 3.47Å; T258-C383 WeakPolarHBondContact OG1-CB 3.22Å; T258-C383 PolarHBondContact OG1-SG 2.6Å; T258-V384 PolarHBondContact O-N 3.49Å
259V97Very high87.8Confident13 Ų1356.7 Ų56.78%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-128.8129.8177-170.60000109.9L240 F243 Q244 L247 V384 W392L240-V259 HydrophobicContact CD2-CG1 3.73Å; F243-V259 HydrophobicContact CD1-CG1 4.09Å; F243-V259 HydrophobicContact CD1-CG2 3.95Å; Q244-V259 HydrophobicContact CB-CB 4.22Å; Q244-V259 HydrophobicContact CB-CG2 3.72Å; Q244-V259 HydrophobicContact CG-CG2 4.21Å; Q244-V259 VanDerWaalsContact OE1-N 3.08Å; L247-V259 HydrophobicContact CD1-CG2 4.16Å; V259-V384 CarbonylContact C-O 3.59Å; V259-V384 VanDerWaalsContact CA-O 3.29Å; V259-V384 WeakPolarHBondContact CA-O 3.35Å; V259-V384 HydrophobicContact CG1-CB 4.44Å; V259-V384 HydrophobicContact CG2-CB 4.37Å; V259-W392 HydrophobicContact CG1-CH2 4.4Å; V259-W392 HydrophobicContact CG1-CZ3 3.99Å
260E95.9Very high87Confident66 Ų6656.3 Ų56.331%0.30833%0.325SS..EExtended strand (participates in β ladder)trans-137.5142.8178.570.4-179.5-130.800112.9V384 F385 R386 W392 K395E260-V384 PolarHBondContact N-O 2.68Å; E260-F385 HydrophobicContact CG-CB 3.56Å; E260-F385 VanDerWaalsContact O-CA 3.3Å; E260-F385 WeakPolarHBondContact O-CA 3.13Å; E260-R386 PolarHBondContact O-N 3.5Å; E260-R386 VanDerWaalsContact O-N 3.08Å; E260-W392 WeakPolarHBondContact O-CZ3 3.23Å; E260-K395 IonicContact OE1-NZ 2.68Å; E260-K395 PolarHBondContact OE1-NZ 3.38Å; E260-K395 WeakPolarHBondContact OE2-CE 3.49Å; E260-K395 IonicContact OE2-NZ 3.33Å; E260-K395 PolarHBondContact OE2-NZ 2.88Å
261N93.9Very high86.9Confident20 Ų2062.5 Ų62.511%0.10735%0.352CS..  trans-131113.4164.8-173.2-7.4000109.1L236 L240 V263 D264 E266 R386 W392L236-N261 HydrophobicContact CD2-CB 4.43Å; L240-N261 HydrophobicContact CD1-CB 4.11Å; L240-N261 HydrophobicContact CD2-CB 4.18Å; N261-V263 PolarHBondContact OD1-N 2.9Å; N261-D264 PolarHBondContact ND2-O 3.21Å; N261-D264 PolarHBondContact ND2-OD1 2.95Å; N261-D264 PolarHBondContact OD1-N 3.45Å; N261-D264 VanDerWaalsContact OD1-N 3.16Å; N261-D264 PolarHBondContact OD1-O 3.35Å; N261-D264 PolarHBondContact OD1-OD1 2.8Å; N261-E266 PolarHBondContact ND2-N 2.85Å; N261-E266 PolarHBondContact ND2-O 3.04Å; N261-R386 HydrophobicContact CB-CB 3.99Å; N261-R386 VanDerWaalsContact CG-CB 3.47Å; N261-R386 VanDerWaalsContact OD1-CB 3.28Å; N261-R386 WeakPolarHBondContact OD1-CB 3.35Å; N261-W392 HydrophobicContact CB-CH2 4.05Å
262S89.1Confident87.3Confident91 Ų9161 Ų6164%0.63635%0.346SS*.  trans-118.28.3177.3620000112.9
263V87.6Confident88.1Confident59 Ų5962.7 Ų62.736%0.35835%0.347SS..SBendtrans-103.1-50.6-171.9179.20000110.5N261 R386N261-V263 PolarHBondContact OD1-N 2.9Å; V263-R386 HydrophobicContact CB-CG 4.2Å; V263-R386 VanDerWaalsContact CG2-O 3.26Å; V263-R386 WeakPolarHBondContact CG2-O 3.26Å
264D86.1Confident89Confident47 Ų4755.3 Ų55.325%0.25131%0.308SS..  trans-146.2-164.6-173.157.341.5000110.7N261 E266 R386N261-D264 PolarHBondContact ND2-O 3.21Å; N261-D264 PolarHBondContact ND2-OD1 2.95Å; N261-D264 PolarHBondContact OD1-N 3.45Å; N261-D264 VanDerWaalsContact OD1-N 3.16Å; N261-D264 PolarHBondContact OD1-O 3.35Å; N261-D264 PolarHBondContact OD1-OD1 2.8Å; D264-E266 WeakPolarHBondContact OD1-CB 3.13Å; D264-E266 PolarHBondContact OD1-N 3.33Å; D264-R386 IonicContact OD1-NE 3.73Å; D264-R386 IonicContact OD2-CZ 2.74Å; D264-R386 IonicContact OD2-NE 3.43Å; D264-R386 PolarHBondContact OD2-NE 3.44Å; D264-R386 IonicContact OD2-NH1 2.88Å; D264-R386 IonicContact OD2-NH2 3.59Å; D264-R386 PolarHBondContact OD2-NH2 2.84Å
265S83.2Confident89.3Confident68 Ų6849.6 Ų49.648%0.47628%0.282SS..  trans-107.219.5178.362.40000113.9C267S265-C267 PolarHBondContact O-N 3.23Å
266E83.6Confident89.3Confident87 Ų8754.3 Ų54.341%0.40731%0.312SS..PPolyproline II helixtrans-71.5125.8178.6-169.8165.2-164.400110.5L236 N261 D264 R386L236-E266 WeakPolarHBondContact CD1-O 3.33Å; N261-E266 PolarHBondContact ND2-N 2.85Å; N261-E266 PolarHBondContact ND2-O 3.04Å; D264-E266 WeakPolarHBondContact OD1-CB 3.13Å; D264-E266 PolarHBondContact OD1-N 3.33Å; E266-R386 IonicContact OE2-CZ 3.58Å; E266-R386 IonicContact OE2-NE 3.9Å; E266-R386 PolarHBondContact OE2-NE 3.26Å; E266-R386 IonicContact OE2-NH2 2.67Å; E266-R386 PolarHBondContact OE2-NH2 2.58Å
267C84.8Confident89.1Confident55 Ų5554.9 Ų54.937%0.37231%0.312SS..PPolyproline II helixtrans-75.1150.9174.7-69.80000110.5S265S265-C267 PolarHBondContact O-N 3.23Å
268P86.2Confident89Confident5 Ų555.5 Ų55.53%0.03231%0.314CS..PPolyproline II helixtrans-62.9158.4173.627.9-34.1000111L240 F243 V270 W392L240-P268 HydrophobicContact CD2-CG 4.24Å; F243-P268 HydrophobicContact CB-CB 3.96Å; F243-P268 HydrophobicContact CB-CG 3.51Å; F243-P268 HydrophobicContact CD1-CB 3.39Å; F243-P268 HydrophobicContact CD1-CG 3.95Å; F243-P268 HydrophobicContact CD2-CB 4.2Å; F243-P268 HydrophobicContact CD2-CG 4.48Å; F243-P268 HydrophobicContact CE1-CB 3.85Å; F243-P268 HydrophobicContact CG-CB 3.59Å; F243-P268 HydrophobicContact CG-CG 3.75Å; F243-P268 HydrophobicContact CZ-CB 4.45Å; P268-V270 PolarHBondContact O-N 2.86Å; P268-W392 VanDerWaalsContact CA-CZ2 3.48Å; P268-W392 HydrophobicContact CB-CH2 4.22Å; P268-W392 HydrophobicContact CB-CZ2 3.96Å
269P84.3Confident88.8Confident45 Ų4556.2 Ų56.229%0.29232%0.316SS..  trans-67.2101.3-178.525.2-30.8000111F243 E271 F272 F458F243-P269 WeakPolarHBondContact CE2-O 3.46Å; F243-P269 HydrophobicContact CZ-CG 4.26Å; P269-E271 VanDerWaalsContact C-N 3.3Å; P269-E271 PolarHBondContact O-N 2.89Å; P269-F272 HydrophobicContact CB-CB 4.26Å; P269-F272 HydrophobicContact CG-CB 4.21Å; P269-F272 WeakPolarHBondContact O-CB 3.13Å; P269-F272 PolarHBondContact O-N 2.87Å; P269-F458 HydrophobicContact CG-CE1 3.62Å; P269-F458 HydrophobicContact CG-CZ 3.95Å
270V75.7Confident88.6Confident97 Ų9758.8 Ų58.859%0.58833%0.333SS*.THydrogen-bonded Turntrans-64.9-32-173.5-65.20000113.5K246 P268 F272K246-V270 PolarHBondContact NZ-O 2.99Å; P268-V270 PolarHBondContact O-N 2.86Å; V270-F272 VanDerWaalsContact C-N 3.32Å; V270-F272 PolarHBondContact O-N 2.75Å
271E82.9Confident88.2Confident165 Ų16556.1 Ų56.177%0.77132%0.323SS*.THydrogen-bonded Turntrans-76.5-16.3-179.8-59-55.1153.600113.3P269 Q273P269-E271 VanDerWaalsContact C-N 3.3Å; P269-E271 PolarHBondContact O-N 2.89Å; E271-Q273 PolarHBondContact O-N 2.98Å
272F87.4Confident87.8Confident5 Ų561.8 Ų61.82%0.02235%0.349CS..  trans-64.5126.1-179.6178.7-97.1000110.9F243 K246 L247 P269 V270 G453 H457 F458F243-F272 HydrophobicContact CE2-CB 4.38Å; F243-F272 HydrophobicContact CE2-CD1 4.27Å; F243-F272 HydrophobicContact CZ-CD1 4.18Å; K246-F272 WeakPolarHBondContact CE-O 3.11Å; K246-F272 PolarHBondContact NZ-O 2.9Å; L247-F272 HydrophobicContact CD2-CD1 4.21Å; L247-F272 HydrophobicContact CD2-CE1 3.95Å; P269-F272 HydrophobicContact CB-CB 4.26Å; P269-F272 HydrophobicContact CG-CB 4.21Å; P269-F272 WeakPolarHBondContact O-CB 3.13Å; P269-F272 PolarHBondContact O-N 2.87Å; V270-F272 VanDerWaalsContact C-N 3.32Å; V270-F272 PolarHBondContact O-N 2.75Å; F272-G453 VanDerWaalsContact CZ-C 3.47Å; F272-H457 AromaticContact CD2-ND1 3.94Å; F272-H457 HydrophobicContact CE2-CB 3.68Å; F272-H457 AromaticContact CE2-CG 3.51Å; F272-H457 AromaticContact CE2-ND1 3.56Å; F272-H457 HydrophobicContact CZ-CB 3.84Å; F272-F458 HydrophobicContact CD1-CE2 4.06Å; F272-F458 AromaticContact CD1-CZ 3.91Å; F272-F458 HydrophobicContact CD1-CZ 3.91Å; F272-F458 HydrophobicContact CD2-CZ 4.37Å; F272-F458 AromaticContact CE1-CE2 3.79Å; F272-F458 HydrophobicContact CE1-CE2 3.79Å; F272-F458 HydrophobicContact CE1-CZ 4.11Å; F272-F458 HydrophobicContact CG-CZ 4.04Å; F272-F458 HydrophobicContact CZ-CE2 4.04Å; F272-F458 HydrophobicContact CZ-CZ 4.41Å
273Q90.7Very high87.5Confident94 Ų9462.9 Ų62.944%0.43935%0.348SS..EExtended strand (participates in β ladder)trans-109.3115.5-176.2-176.962.416.700111.3E271 Q451 M452 G453E271-Q273 PolarHBondContact O-N 2.98Å; Q273-Q451 PolarHBondContact N-O 2.82Å; Q273-M452 HydrophobicContact CB-CG 4.12Å; Q273-M452 VanDerWaalsContact O-CA 3.29Å; Q273-M452 WeakPolarHBondContact O-CA 3.13Å; Q273-G453 PolarHBondContact O-N 3.35Å; Q273-G453 VanDerWaalsContact O-N 3.17Å
274P93.3Very high87.4Confident4 Ų460.4 Ų60.43%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-71.4139.8179.927.3-31.6000111.9K246 L247 V250 G453K246-P274 HydrophobicContact CG-CG 4.02Å; K246-P274 WeakPolarHBondContact O-CG 3.42Å; L247-P274 HydrophobicContact CD2-CB 4.3Å; V250-P274 HydrophobicContact CG1-CB 3.98Å; V250-P274 HydrophobicContact CG1-CG 4.3Å; V250-P274 WeakPolarHBondContact CG1-O 3.41Å; V250-P274 HydrophobicContact CG2-CB 3.7Å; P274-G453 CarbonylContact C-O 3.55Å; P274-G453 WeakPolarHBondContact CA-O 3.46Å
275I93.6Very high87.3Confident9 Ų966.1 Ų66.15%0.04636%0.356CS..  trans-126.7145.3177.165.6-177000111.1D277 L279 L410 M452 G453I275-D277 VanDerWaalsContact CD1-O 3.31Å; I275-D277 WeakPolarHBondContact CD1-O 3.3Å; I275-D277 WeakPolarHBondContact CG1-O 3.33Å; I275-L279 HydrophobicContact CD1-CD1 4.24Å; I275-L279 HydrophobicContact CD1-CG 4.03Å; I275-L279 HydrophobicContact CG2-CD1 3.74Å; I275-L279 HydrophobicContact CG2-CG 4.23Å; I275-L410 HydrophobicContact CD1-CB 4.36Å; I275-L410 HydrophobicContact CG1-CB 4.34Å; I275-M452 HydrophobicContact CD1-CB 4.47Å; I275-M452 HydrophobicContact CG2-CB 4.07Å; I275-G453 PolarHBondContact N-O 3.02Å
276P91Very high87.3Confident100 Ų10065.7 Ų65.765%0.64935%0.348SS*.SBendtrans-84.4-20-178.333.5-35.5000114V250V250-P276 HydrophobicContact CB-CB 4.26Å
277D92.7Very high87.2Confident72 Ų7264.4 Ų64.439%0.38535%0.347SS..SBendtrans-151.9174.5-177.8-157.9-10.9000109.3I275 R483I275-D277 VanDerWaalsContact CD1-O 3.31Å; I275-D277 WeakPolarHBondContact CD1-O 3.3Å; I275-D277 WeakPolarHBondContact CG1-O 3.33Å; D277-R483 IonicContact OD1-CZ 2.84Å; D277-R483 VanDerWaalsContact OD1-CZ 3.22Å; D277-R483 IonicContact OD1-NH1 3.04Å; D277-R483 PolarHBondContact OD1-NH1 3.36Å; D277-R483 IonicContact OD1-NH2 2.64Å; D277-R483 PolarHBondContact OD1-NH2 2.84Å; D277-R483 IonicContact OD2-NH1 3.52Å
278Y94Very high86.9Confident15 Ų1568 Ų686%0.05937%0.367CS..  trans-56.3137.8172.7-74.6-56.3000111.8E408 Y409 L410 I413 V447 R483 I484Y278-E408 VanDerWaalsContact CE2-OE1 3.23Å; Y278-E408 WeakPolarHBondContact CE2-OE1 3.47Å; Y278-Y409 WeakPolarHBondContact CE1-O 3.34Å; Y278-Y409 VanDerWaalsContact CZ-O 3.3Å; Y278-Y409 PolarHBondContact OH-O 3.13Å; Y278-L410 HydrophobicContact CD1-CD2 3.91Å; Y278-L410 HydrophobicContact CD2-CD2 4.16Å; Y278-L410 HydrophobicContact CE1-CD2 3.84Å; Y278-L410 HydrophobicContact CE2-CD2 4.08Å; Y278-L410 HydrophobicContact CG-CD2 4.06Å; Y278-I413 HydrophobicContact CD1-CD1 3.33Å; Y278-I413 HydrophobicContact CD1-CG1 3.98Å; Y278-I413 HydrophobicContact CD2-CD1 4.42Å; Y278-I413 HydrophobicContact CE1-CD1 3.7Å; Y278-I413 HydrophobicContact CG-CD1 3.75Å; Y278-I413 HydrophobicContact CG-CG1 4.02Å; Y278-V447 HydrophobicContact CD1-CG1 4.25Å; Y278-V447 HydrophobicContact CE1-CB 4.46Å; Y278-V447 HydrophobicContact CE1-CG1 3.75Å; Y278-V447 HydrophobicContact CE1-CG2 3.81Å; Y278-R483 HydrophobicContact CE2-CB 4.21Å; Y278-R483 HydrophobicContact CE2-CG 4.02Å; Y278-I484 PolarHBondContact OH-N 2.96Å
279L91.6Very high86.6Confident64 Ų6474.8 Ų74.834%0.33540%0.396SS..EExtended strand (participates in β ladder)trans-98.1114.5170.1-69.6179.9000108.9I275 G281 G411 E412 I413 M452I275-L279 HydrophobicContact CD1-CD1 4.24Å; I275-L279 HydrophobicContact CD1-CG 4.03Å; I275-L279 HydrophobicContact CG2-CD1 3.74Å; I275-L279 HydrophobicContact CG2-CG 4.23Å; L279-G281 PolarHBondContact O-N 3.13Å; L279-G411 PolarHBondContact N-O 3.38Å; L279-G411 VanDerWaalsContact N-O 3.16Å; L279-E412 CarbonylContact O-C 3.52Å; L279-E412 VanDerWaalsContact O-CA 3.3Å; L279-E412 WeakPolarHBondContact O-CA 3.38Å; L279-I413 PolarHBondContact O-N 3.3Å; L279-M452 HydrophobicContact CD1-CB 4.38Å; L279-M452 HydrophobicContact CD1-CE 3.78Å; L279-M452 HydrophobicContact CD1-SD 3.58Å; L279-M452 VanDerWaalsContact CD1-SD 3.58Å
280P92.7Very high86.6Confident67 Ų6772.9 Ų72.944%0.43538%0.384SS..EExtended strand (participates in β ladder)trans-66.3123.9174.126.4-30000109.5V284 L286P280-V284 HydrophobicContact CB-CB 4.12Å; P280-V284 HydrophobicContact CB-CG1 4.14Å; P280-V284 WeakPolarHBondContact CB-O 3.43Å; P280-L286 HydrophobicContact CB-CD1 4.11Å; P280-L286 HydrophobicContact CB-CG 4.26Å; P280-L286 HydrophobicContact CG-CD1 4.33Å
281G88.4Confident87Confident10 Ų1072.7 Ų72.710%0.10339%0.385CS..  trans-70.2-173169.700000111.9L279 D283 V284 I413L279-G281 PolarHBondContact O-N 3.13Å; G281-D283 PolarHBondContact O-N 2.77Å; G281-V284 PolarHBondContact O-N 2.91Å; G281-I413 VanDerWaalsContact CA-O 3.24Å; G281-I413 WeakPolarHBondContact CA-O 3.3Å; G281-I413 PolarHBondContact N-O 3.05Å
282Q85.8Confident87.3Confident139 Ų13969.7 Ų69.765%0.6537%0.373SS*.THydrogen-bonded Turntrans-59.9131.1-179.3-173.8172.7-1300111.6V284 N415Q282-V284 PolarHBondContact O-N 2.68Å; Q282-V284 VanDerWaalsContact O-N 3.16Å; Q282-N415 PolarHBondContact O-ND2 2.77Å; Q282-N415 VanDerWaalsContact O-ND2 3.1Å
283D83Confident87.5Confident113 Ų11370 Ų7060%0.60438%0.378SS*.THydrogen-bonded Turntrans60.217.7-179.6-52.7-43.8000115G281G281-D283 PolarHBondContact O-N 2.77Å
284V85.2Confident87.7Confident8 Ų865.7 Ų65.75%0.04836%0.358CS..  trans-96.4128.1170.8-179.60000109.4P280 G281 Q282 I413 N415 Y445P280-V284 HydrophobicContact CB-CB 4.12Å; P280-V284 HydrophobicContact CB-CG1 4.14Å; P280-V284 WeakPolarHBondContact CB-O 3.43Å; G281-V284 PolarHBondContact O-N 2.91Å; Q282-V284 PolarHBondContact O-N 2.68Å; Q282-V284 VanDerWaalsContact O-N 3.16Å; V284-I413 HydrophobicContact CG1-CB 4.05Å; V284-I413 HydrophobicContact CG1-CG2 3.62Å; V284-I413 HydrophobicContact CG2-CG2 4.33Å; V284-I413 WeakPolarHBondContact CG2-O 3.24Å; V284-N415 HydrophobicContact CG2-CB 4.42Å; V284-Y445 HydrophobicContact CG1-CD1 4.34Å; V284-Y445 HydrophobicContact CG1-CE1 4.07Å; V284-Y445 HydrophobicContact CG2-CD1 4.21Å; V284-Y445 HydrophobicContact CG2-CE1 4.04Å
285F83.3Confident87.7Confident167 Ų16770.7 Ų70.773%0.73238%0.381SS*.  trans-116.9115.3-179.6-60.1-84.1000110.8
286L82.3Confident87.8Confident59 Ų5970.3 Ų70.331%0.30938%0.379SS..  trans-99121.9174.4-65.7173000109.8P280 L481P280-L286 HydrophobicContact CB-CD1 4.11Å; P280-L286 HydrophobicContact CB-CG 4.26Å; P280-L286 HydrophobicContact CG-CD1 4.33Å; L286-L481 HydrophobicContact CD2-CD2 3.37Å; L286-L481 HydrophobicContact CD2-CG 4.05Å
287P81.9Confident87.9Confident60 Ų6068 Ų6839%0.3936%0.363SS..  trans-70.1139.517829-34.2000111C476P287-C476 HydrophobicContact CG-CB 3.74Å
288T78.6Confident87.8Confident129 Ų12969.6 Ų69.679%0.79137%0.37SS*.SBendtrans-88.7-12.5176.7550000113.5
289K80.2Confident87.5Confident149 Ų14976.5 Ų76.565%0.64841%0.407SS*.SBendtrans-140.2138.5177.8-66.7-174.3-179.8-178.60110.3E475K289-E475 WeakPolarHBondContact CA-OE2 3.46Å
290A84.9Confident87.4Confident5 Ų576.5 Ų76.54%0.04141%0.408CS..  trans-61.9149.4172.400000111.4N360 L362 E475A290-N360 HydrophobicContact CB-CB 3.89Å; A290-N360 WeakPolarHBondContact CB-ND2 3.47Å; A290-L362 WeakPolarHBondContact O-CD1 3.5Å; A290-E475 VanDerWaalsContact CA-O 3.31Å; A290-E475 WeakPolarHBondContact CA-O 3.32Å; A290-E475 PolarHBondContact N-OE2 2.88Å
291P84.2Confident87.2Confident92 Ų9274.5 Ų74.560%0.59739%0.394SS*.SBendtrans-75.5-28.2172.230.1-34.3000112.2L477P291-L477 HydrophobicContact CG-CD1 3.93Å; P291-L477 HydrophobicContact CG-CG 4.43Å
292I87.7Confident87.1Confident103 Ų10375.8 Ų75.853%0.52840%0.398SS..  trans-143.5138.7-175.1-57.4176.4000109.7N360I292-N360 PolarHBondContact O-ND2 2.86Å
293G91.8Very high87.2Confident11 Ų1173.9 Ų73.911%0.11340%0.398CS..  trans-122.2-180170.400000112.1C363G293-C363 VanDerWaalsContact CA-SG 3.55Å
294C94.9Very high87.4Confident4 Ų471.7 Ų71.73%0.02739%0.391CS..  trans-85.2158.4170770000111.3C323 C363 P364C294-C323 VanDerWaalsContact SG-SG 3.66Å; C294-C363 PolarHBondContact N-SG 2.75Å; C294-P364 WeakPolarHBondContact O-CD 3.31Å
295E94.4Very high87.5Confident108 Ų10873 Ų7351%0.50540%0.397SS..  trans-10219.3175.7-67.7153.3-125.400111.6T297 N300 R335E295-T297 PolarHBondContact O-N 3.41Å; E295-T297 VanDerWaalsContact O-N 3.07Å; E295-N300 PolarHBondContact O-ND2 3.19Å; E295-N300 PolarHBondContact O-OD1 2.98Å; E295-R335 IonicContact OE1-CZ 3.65Å; E295-R335 IonicContact OE1-NH1 2.9Å; E295-R335 PolarHBondContact OE1-NH1 3.43Å; E295-R335 IonicContact OE1-NH2 3.42Å; E295-R335 PolarHBondContact OE1-NH2 2.89Å
296C95Very high87.6Confident2 Ų266 Ų661%0.01437%0.367CS..  trans-69.6107.5-171.9-66.50000111.4P322 C323 N326 P364C296-P322 HydrophobicContact CB-CB 4.06Å; C296-C323 VanDerWaalsContact CB-SG 3.6Å; C296-N326 VanDerWaalsContact SG-CB 3.53Å; C296-P364 WeakPolarHBondContact O-CG 3.21Å
297T93.6Very high87.8Confident51 Ų5165.2 Ų65.231%0.31337%0.369SS..  trans-126.8171.8179.265.30000110.6E295 N299 N300 L301 P364E295-T297 PolarHBondContact O-N 3.41Å; E295-T297 VanDerWaalsContact O-N 3.07Å; T297-N299 PolarHBondContact O-N 3.49Å; T297-N299 PolarHBondContact OG1-N 2.76Å; T297-N300 PolarHBondContact N-OD1 3.43Å; T297-N300 PolarHBondContact O-N 2.92Å; T297-N300 PolarHBondContact O-OD1 3.35Å; T297-N300 PolarHBondContact OG1-OD1 3.49Å; T297-N300 VanDerWaalsContact OG1-OD1 3.12Å; T297-L301 VanDerWaalsContact O-CD2 3.24Å; T297-L301 WeakPolarHBondContact O-CD2 3.42Å; T297-P364 HydrophobicContact CG2-CB 4.07Å; T297-P364 HydrophobicContact CG2-CG 3.73Å
298M89.8Confident88Confident106 Ų10667.8 Ų67.852%0.52237%0.374SS..THydrogen-bonded Turntrans-62.9-18.5175-64.3-60.6-7300113.2L301 I320 P322M298-L301 HydrophobicContact CE-CD1 4.42Å; M298-L301 WeakPolarHBondContact O-CG 3.41Å; M298-L301 HydrophobicContact SD-CD1 4.44Å; M298-I320 HydrophobicContact CE-CB 4.09Å; M298-I320 HydrophobicContact CE-CD1 4.39Å; M298-I320 HydrophobicContact CE-CG2 3.87Å; M298-I320 HydrophobicContact SD-CB 4.49Å; M298-I320 HydrophobicContact SD-CG2 3.86Å; M298-P322 HydrophobicContact CG-CG 4.22Å; M298-P322 HydrophobicContact SD-CG 3.6Å
299N89Confident88.3Confident159 Ų15963.5 Ų63.585%0.8535%0.346SS*.THydrogen-bonded Turntrans-89.3-11.6-176.4-65.2-19.8000113.8T297T297-N299 PolarHBondContact O-N 3.49Å; T297-N299 PolarHBondContact OG1-N 2.76Å
300N88Confident88.5Confident64 Ų6463.1 Ų63.134%0.34234%0.341SS..SBendtrans-131.643.1-177.267.5-6.9000112.6E295 T297 N326E295-N300 PolarHBondContact O-ND2 3.19Å; E295-N300 PolarHBondContact O-OD1 2.98Å; T297-N300 PolarHBondContact N-OD1 3.43Å; T297-N300 PolarHBondContact O-N 2.92Å; T297-N300 PolarHBondContact O-OD1 3.35Å; T297-N300 PolarHBondContact OG1-OD1 3.49Å; T297-N300 VanDerWaalsContact OG1-OD1 3.12Å; N300-N326 PolarHBondContact O-ND2 3.18Å; N300-N326 PolarHBondContact O-OD1 3.37Å
301L89Confident88.6Confident26 Ų2671.6 Ų71.614%0.13638%0.376CS..  trans-75.1140.3175.2-57.5179.9000110.8T297 M298 P303 L306 I320 P322 I325T297-L301 VanDerWaalsContact O-CD2 3.24Å; T297-L301 WeakPolarHBondContact O-CD2 3.42Å; M298-L301 HydrophobicContact CE-CD1 4.42Å; M298-L301 WeakPolarHBondContact O-CG 3.41Å; M298-L301 HydrophobicContact SD-CD1 4.44Å; L301-P303 WeakPolarHBondContact O-CD 3.21Å; L301-L306 HydrophobicContact CD1-CD2 4.15Å; L301-I320 HydrophobicContact CD1-CG2 3.97Å; L301-P322 VanDerWaalsContact CD2-CA 3.48Å; L301-P322 HydrophobicContact CD2-CB 3.66Å; L301-P322 HydrophobicContact CD2-CG 4.06Å; L301-I325 HydrophobicContact CB-CG2 4.2Å; L301-I325 HydrophobicContact CD1-CD1 4.06Å; L301-I325 HydrophobicContact CD2-CB 4.32Å; L301-I325 HydrophobicContact CD2-CD1 4.14Å; L301-I325 HydrophobicContact CG-CD1 4.47Å
302D86.8Confident88.6Confident36 Ų3671.5 Ų71.519%0.19338%0.383CS..  trans-60.8113.9168-172.1-40.3000110.4S304 E305 L306 I325 N326D302-S304 VanDerWaalsContact C-N 3.26Å; D302-S304 PolarHBondContact O-N 3.03Å; D302-S304 VanDerWaalsContact OD1-CB 3.29Å; D302-S304 WeakPolarHBondContact OD1-CB 3.13Å; D302-S304 PolarHBondContact OD1-N 2.89Å; D302-E305 HydrophobicContact CB-CB 4.18Å; D302-E305 HydrophobicContact CB-CG 4.36Å; D302-E305 PolarHBondContact O-N 2.89Å; D302-E305 PolarHBondContact OD1-N 3.45Å; D302-L306 WeakPolarHBondContact O-CB 3.37Å; D302-L306 PolarHBondContact O-N 3.04Å; D302-I325 HydrophobicContact CB-CG2 4Å; D302-N326 PolarHBondContact N-OD1 3.45Å
303P87Confident88.2Confident100 Ų10070.8 Ų70.865%0.64938%0.381SS*.Hα-helixtrans-63-31.3-176.4-23.235000113.4L301 A307L301-P303 WeakPolarHBondContact O-CD 3.21Å; P303-A307 WeakPolarHBondContact O-CB 3.45Å; P303-A307 PolarHBondContact O-N 3.17Å
304S88.3Confident87.6Confident67 Ų6773.6 Ų73.647%0.46941%0.41SS..Hα-helixtrans-70-46.7-179.6-177.80000110.9D302 A307 K308D302-S304 VanDerWaalsContact C-N 3.26Å; D302-S304 PolarHBondContact O-N 3.03Å; D302-S304 VanDerWaalsContact OD1-CB 3.29Å; D302-S304 WeakPolarHBondContact OD1-CB 3.13Å; D302-S304 PolarHBondContact OD1-N 2.89Å; S304-A307 PolarHBondContact O-N 3.4Å; S304-K308 WeakPolarHBondContact O-CG 3.45Å; S304-K308 PolarHBondContact O-N 3.33Å; S304-K308 VanDerWaalsContact O-N 3.14Å
305E86.4Confident86.8Confident34 Ų3476 Ų7616%0.15943%0.426CS..Hα-helixtrans-69-37.8177.2-69.7-66.2113.200111.6D302 A307 K308 I309 I325 K327D302-E305 HydrophobicContact CB-CB 4.18Å; D302-E305 HydrophobicContact CB-CG 4.36Å; D302-E305 PolarHBondContact O-N 2.89Å; D302-E305 PolarHBondContact OD1-N 3.45Å; E305-A307 PolarHBondContact O-N 3.28Å; E305-K308 PolarHBondContact O-N 3.13Å; E305-K308 WeakPolarHBondContact OE1-CD 3.33Å; E305-K308 IonicContact OE1-NZ 2.89Å; E305-K308 PolarHBondContact OE1-NZ 3.39Å; E305-I309 WeakPolarHBondContact O-CG1 3.27Å; E305-I309 PolarHBondContact O-N 3.17Å; E305-I325 HydrophobicContact CB-CG2 3.86Å; E305-K327 IonicContact OE2-NZ 3.55Å
306L85.4Confident85.5Confident20 Ų2077.1 Ų77.111%0.10545%0.446CS..Hα-helixtrans-62-42174.5-179.860.5000111.9L301 D302 K308 I309 R310 I320 I325L301-L306 HydrophobicContact CD1-CD2 4.15Å; D302-L306 WeakPolarHBondContact O-CB 3.37Å; D302-L306 PolarHBondContact O-N 3.04Å; L306-K308 VanDerWaalsContact C-N 3.35Å; L306-K308 PolarHBondContact O-N 3.21Å; L306-I309 PolarHBondContact O-N 2.95Å; L306-R310 HydrophobicContact CD1-CG 4.45Å; L306-R310 WeakPolarHBondContact O-CG 3.31Å; L306-R310 PolarHBondContact O-N 3.47Å; L306-I320 HydrophobicContact CD1-CD1 3.63Å; L306-I320 HydrophobicContact CD1-CG1 4.15Å; L306-I325 HydrophobicContact CB-CD1 4.22Å; L306-I325 HydrophobicContact CD1-CD1 3.7Å
307A87.1Confident84.5Confident44 Ų4481.7 Ų81.736%0.36448%0.478SS..Hα-helixtrans-63-39.8176.300000112.1P303 S304 E305 K311P303-A307 WeakPolarHBondContact O-CB 3.45Å; P303-A307 PolarHBondContact O-N 3.17Å; S304-A307 PolarHBondContact O-N 3.4Å; E305-A307 PolarHBondContact O-N 3.28Å; A307-K311 WeakPolarHBondContact O-CB 3.43Å; A307-K311 WeakPolarHBondContact O-CG 3.34Å; A307-K311 PolarHBondContact O-N 3.29Å
308K86.9Confident83.8Confident114 Ų11479.9 Ų79.950%0.49647%0.467SS..Hα-helixtrans-62.6-43.4174.9-69.3173-167.1170.40111.9S304 E305 L306 K311 A312S304-K308 WeakPolarHBondContact O-CG 3.45Å; S304-K308 PolarHBondContact O-N 3.33Å; S304-K308 VanDerWaalsContact O-N 3.14Å; E305-K308 PolarHBondContact O-N 3.13Å; E305-K308 WeakPolarHBondContact OE1-CD 3.33Å; E305-K308 IonicContact OE1-NZ 2.89Å; E305-K308 PolarHBondContact OE1-NZ 3.39Å; L306-K308 VanDerWaalsContact C-N 3.35Å; L306-K308 PolarHBondContact O-N 3.21Å; K308-K311 PolarHBondContact O-N 3.43Å; K308-A312 WeakPolarHBondContact O-CB 3.19Å; K308-A312 PolarHBondContact O-N 3.5Å
309I84Confident83.4Confident39 Ų3980 Ų8020%0.247%0.474CS..Hα-helixtrans-64.1-47.3179-68.8167.2000110.8E305 L306 K311 A312 D313 P318 I325E305-I309 WeakPolarHBondContact O-CG1 3.27Å; E305-I309 PolarHBondContact O-N 3.17Å; L306-I309 PolarHBondContact O-N 2.95Å; I309-K311 VanDerWaalsContact C-N 3.3Å; I309-K311 PolarHBondContact O-N 3.18Å; I309-A312 PolarHBondContact O-N 3.12Å; I309-A312 VanDerWaalsContact O-N 3.16Å; I309-D313 WeakPolarHBondContact O-CB 3.35Å; I309-D313 PolarHBondContact O-N 2.95Å; I309-P318 HydrophobicContact CG2-CB 4.31Å; I309-I325 HydrophobicContact CD1-CD1 4.1Å; I309-I325 HydrophobicContact CD1-CG1 3.7Å
310R85.1Confident83.3Confident141 Ų14174 Ų7453%0.53244%0.442SS..Hα-helixtrans-59.7-39.8177.7-73.8175.4174169.9-1.5112.3L306 G314 P318L306-R310 HydrophobicContact CD1-CG 4.45Å; L306-R310 WeakPolarHBondContact O-CG 3.31Å; L306-R310 PolarHBondContact O-N 3.47Å; R310-G314 PolarHBondContact O-N 3.38Å; R310-P318 HydrophobicContact CG-CG 4.07Å
311K85.7Confident83.5Confident182 Ų18274.8 Ų74.879%0.79144%0.44SS*.Hα-helixtrans-65.8-39.4175.1-75.4-179.3-180-174.20112.8A307 K308 I309A307-K311 WeakPolarHBondContact O-CB 3.43Å; A307-K311 WeakPolarHBondContact O-CG 3.34Å; A307-K311 PolarHBondContact O-N 3.29Å; K308-K311 PolarHBondContact O-N 3.43Å; I309-K311 VanDerWaalsContact C-N 3.3Å; I309-K311 PolarHBondContact O-N 3.18Å
312A84.8Confident83.7Confident90 Ų9074.5 Ų74.574%0.74444%0.44SS*.Hα-helixtrans-77.8-35.4-177.300000113.5K308 I309K308-A312 WeakPolarHBondContact O-CB 3.19Å; K308-A312 PolarHBondContact O-N 3.5Å; I309-A312 PolarHBondContact O-N 3.12Å; I309-A312 VanDerWaalsContact O-N 3.16Å
313D80.5Confident84.1Confident88 Ų8872.9 Ų72.947%0.47143%0.431SS..Hα-helixtrans-77.1-28.3-177-167.771.8000112.5I309 S315 P318I309-D313 WeakPolarHBondContact O-CB 3.35Å; I309-D313 PolarHBondContact O-N 2.95Å; D313-S315 PolarHBondContact O-N 3.3Å; D313-S315 WeakPolarHBondContact OD2-CB 3.47Å; D313-S315 PolarHBondContact OD2-OG 3.07Å; D313-P318 HydrophobicContact CB-CB 4.04Å; D313-P318 WeakPolarHBondContact OD2-CA 3.34Å; D313-P318 WeakPolarHBondContact OD2-CB 3.16Å
314G79Confident84.5Confident71 Ų7170.6 Ų70.673%0.73241%0.41SS*.  trans66.6-11.5179.900000114.9R310R310-G314 PolarHBondContact O-N 3.38Å
315S76.3Confident84.7Confident53 Ų5367.6 Ų67.637%0.37139%0.389SS..SBendtrans-82.2153.8175.191.40000111.7D313 S317D313-S315 PolarHBondContact O-N 3.3Å; D313-S315 WeakPolarHBondContact OD2-CB 3.47Å; D313-S315 PolarHBondContact OD2-OG 3.07Å; S315-S317 PolarHBondContact O-N 3.46Å; S315-S317 PolarHBondContact OG-N 3.18Å
316S68.2Low85Confident132 Ų13266.2 Ų66.292%0.92338%0.382SS*.SBendtrans-71.4-17.5174.348.70000113.2
317S73.4Confident85.4Confident98 Ų9866.4 Ų66.469%0.68538%0.382SS*.SBendtrans-143.269.7-174.5-169.20000111.6S315S315-S317 PolarHBondContact O-N 3.46Å; S315-S317 PolarHBondContact OG-N 3.18Å
318P78.9Confident85.5Confident13 Ų1373.3 Ų73.38%0.08440%0.399CS..  trans-61.8146.117724.8-33.8000111I309 R310 D313 I320I309-P318 HydrophobicContact CG2-CB 4.31Å; R310-P318 HydrophobicContact CG-CG 4.07Å; D313-P318 HydrophobicContact CB-CB 4.04Å; D313-P318 WeakPolarHBondContact OD2-CA 3.34Å; D313-P318 WeakPolarHBondContact OD2-CB 3.16Å; P318-I320 HydrophobicContact CG-CD1 4.37Å; P318-I320 HydrophobicContact CG-CG1 4.34Å; P318-I320 PolarHBondContact O-N 3.2Å
319V82.1Confident85.5Confident108 Ų10876.2 Ų76.266%0.65541%0.407SS*.  trans-67.6116.2169.6-178.10000108.7Y321V319-Y321 HydrophobicContact CG1-CE1 4.01Å; V319-Y321 HydrophobicContact CG1-CE2 3.88Å; V319-Y321 WeakPolarHBondContact CG1-OH 3.43Å
320I85.8Confident85.7Confident35 Ų3577 Ų7718%0.17941%0.411CS..  trans-107.8128.1-175.5-70.3162.5000110.1M298 L301 L306 P318 I325M298-I320 HydrophobicContact CE-CB 4.09Å; M298-I320 HydrophobicContact CE-CD1 4.39Å; M298-I320 HydrophobicContact CE-CG2 3.87Å; M298-I320 HydrophobicContact SD-CB 4.49Å; M298-I320 HydrophobicContact SD-CG2 3.86Å; L301-I320 HydrophobicContact CD1-CG2 3.97Å; L306-I320 HydrophobicContact CD1-CD1 3.63Å; L306-I320 HydrophobicContact CD1-CG1 4.15Å; P318-I320 HydrophobicContact CG-CD1 4.37Å; P318-I320 HydrophobicContact CG-CG1 4.34Å; P318-I320 PolarHBondContact O-N 3.2Å; I320-I325 HydrophobicContact CG1-CD1 4.49Å; I320-I325 HydrophobicContact CG2-CD1 3.48Å; I320-I325 VanDerWaalsContact CG2-CD1 3.48Å; I320-I325 HydrophobicContact CG2-CG1 4.39Å
321Y92Very high86.1Confident79 Ų7970.4 Ų70.431%0.3139%0.387SS..  trans-111.5112.6169-54-71.1000109.1V319 C323 W324 I325 S368V319-Y321 HydrophobicContact CG1-CE1 4.01Å; V319-Y321 HydrophobicContact CG1-CE2 3.88Å; V319-Y321 WeakPolarHBondContact CG1-OH 3.43Å; Y321-C323 VanDerWaalsContact C-N 3.28Å; Y321-C323 PolarHBondContact O-N 3.32Å; Y321-W324 WeakPolarHBondContact O-CA 3.01Å; Y321-W324 VanDerWaalsContact O-CB 3.31Å; Y321-W324 WeakPolarHBondContact O-CB 3.35Å; Y321-W324 PolarHBondContact O-N 3.13Å; Y321-I325 PolarHBondContact O-N 2.83Å; Y321-I325 VanDerWaalsContact O-N 3.17Å; Y321-S368 WeakPolarHBondContact CE1-OG 3.37Å
322P94.3Very high86.5Confident21 Ų2162.4 Ų62.414%0.13635%0.354CS..Hα-helixtrans-52.6-43.4-177.2-31.335.7000114.5C296 M298 L301 W324 I325 N326C296-P322 HydrophobicContact CB-CB 4.06Å; M298-P322 HydrophobicContact CG-CG 4.22Å; M298-P322 HydrophobicContact SD-CG 3.6Å; L301-P322 VanDerWaalsContact CD2-CA 3.48Å; L301-P322 HydrophobicContact CD2-CB 3.66Å; L301-P322 HydrophobicContact CD2-CG 4.06Å; P322-W324 VanDerWaalsContact C-N 3.3Å; P322-W324 PolarHBondContact O-N 3.49Å; P322-I325 PolarHBondContact O-N 3.42Å; P322-N326 WeakPolarHBondContact O-CB 3.44Å; P322-N326 PolarHBondContact O-N 2.94Å
323C95.9Very high86.8Confident1 Ų158.4 Ų58.41%0.00732%0.321CS..Hα-helixtrans-62.8-36.7177.6-68.10000112.1C294 C296 Y321 N326 K327 C359 F371C294-C323 VanDerWaalsContact SG-SG 3.66Å; C296-C323 VanDerWaalsContact CB-SG 3.6Å; Y321-C323 VanDerWaalsContact C-N 3.28Å; Y321-C323 PolarHBondContact O-N 3.32Å; C323-N326 CarbonylContact O-C 3.47Å; C323-N326 PolarHBondContact O-N 3.04Å; C323-K327 VanDerWaalsContact O-CA 3.27Å; C323-K327 WeakPolarHBondContact O-CA 3.15Å; C323-K327 WeakPolarHBondContact O-CB 3.34Å; C323-K327 PolarHBondContact O-N 3.46Å; C323-C359 VanDerWaalsContact SG-SG 3.66Å; C323-F371 HydrophobicContact CB-CD2 3.87Å; C323-F371 HydrophobicContact CB-CE2 4.24Å; C323-F371 VanDerWaalsContact O-CE2 3.25Å; C323-F371 WeakPolarHBondContact O-CE2 3.21Å
324W93.9Very high87.2Confident53 Ų5356.3 Ų56.320%0.20131%0.311CS..Hα-helixtrans-66.3-39.1177.3-177-105.7000112.7Y321 P322 K327 Y342 K344 P370 F371Y321-W324 WeakPolarHBondContact O-CA 3.01Å; Y321-W324 VanDerWaalsContact O-CB 3.31Å; Y321-W324 WeakPolarHBondContact O-CB 3.35Å; Y321-W324 PolarHBondContact O-N 3.13Å; P322-W324 VanDerWaalsContact C-N 3.3Å; P322-W324 PolarHBondContact O-N 3.49Å; W324-K327 HydrophobicContact CD2-CD 4.26Å; W324-K327 HydrophobicContact CE3-CD 4.17Å; W324-K327 HydrophobicContact CH2-CD 4.34Å; W324-K327 HydrophobicContact CZ2-CD 4.45Å; W324-K327 HydrophobicContact CZ3-CD 4.2Å; W324-K327 WeakPolarHBondContact O-CB 3.01Å; W324-K327 VanDerWaalsContact O-CD 3.28Å; W324-K327 WeakPolarHBondContact O-CD 3.47Å; W324-K327 WeakPolarHBondContact O-CG 3.24Å; W324-K327 PolarHBondContact O-NZ 2.68Å; W324-Y342 WeakPolarHBondContact CZ3-O 3.45Å; W324-K344 HydrophobicContact CD2-CB 4.38Å; W324-K344 HydrophobicContact CE3-CB 4.48Å; W324-K344 HydrophobicContact CH2-CB 3.98Å; W324-K344 HydrophobicContact CZ2-CB 3.82Å; W324-K344 HydrophobicContact CZ3-CB 4.3Å; W324-K344 VanDerWaalsContact CZ3-N 3.25Å; W324-P370 HydrophobicContact CB-CG 3.91Å; W324-P370 HydrophobicContact CD2-CG 4.39Å; W324-P370 HydrophobicContact CE3-CB 4.25Å; W324-P370 HydrophobicContact CE3-CG 3.85Å; W324-P370 HydrophobicContact CG-CG 4.46Å; W324-F371 AromaticContact CE3-CE1 3.93Å; W324-F371 HydrophobicContact CE3-CE1 3.93Å; W324-F371 AromaticContact CE3-CZ 3.84Å; W324-F371 HydrophobicContact CE3-CZ 3.84Å; W324-F371 HydrophobicContact CZ3-CE1 4.04Å; W324-F371 HydrophobicContact CZ3-CZ 4.23Å
325I92.9Very high87.7Confident3 Ų357.9 Ų57.92%0.01530%0.295CS..Hα-helixtrans-67.1-48.1176.1-62.8-170000109.4L301 D302 E305 L306 I309 I320 Y321 P322 K327L301-I325 HydrophobicContact CB-CG2 4.2Å; L301-I325 HydrophobicContact CD1-CD1 4.06Å; L301-I325 HydrophobicContact CD2-CB 4.32Å; L301-I325 HydrophobicContact CD2-CD1 4.14Å; L301-I325 HydrophobicContact CG-CD1 4.47Å; D302-I325 HydrophobicContact CB-CG2 4Å; E305-I325 HydrophobicContact CB-CG2 3.86Å; L306-I325 HydrophobicContact CB-CD1 4.22Å; L306-I325 HydrophobicContact CD1-CD1 3.7Å; I309-I325 HydrophobicContact CD1-CD1 4.1Å; I309-I325 HydrophobicContact CD1-CG1 3.7Å; I320-I325 HydrophobicContact CG1-CD1 4.49Å; I320-I325 HydrophobicContact CG2-CD1 3.48Å; I320-I325 VanDerWaalsContact CG2-CD1 3.48Å; I320-I325 HydrophobicContact CG2-CG1 4.39Å; Y321-I325 PolarHBondContact O-N 2.83Å; Y321-I325 VanDerWaalsContact O-N 3.17Å; P322-I325 PolarHBondContact O-N 3.42Å; I325-K327 PolarHBondContact O-N 2.72Å
326N93.2Very high88.2Confident6 Ų657.6 Ų57.63%0.03230%0.296CS..THydrogen-bonded Turntrans-83.912.5-178.1-69-20.3000114.2C296 N300 D302 P322 C323 R328 R329 N330C296-N326 VanDerWaalsContact SG-CB 3.53Å; N300-N326 PolarHBondContact O-ND2 3.18Å; N300-N326 PolarHBondContact O-OD1 3.37Å; D302-N326 PolarHBondContact N-OD1 3.45Å; P322-N326 WeakPolarHBondContact O-CB 3.44Å; P322-N326 PolarHBondContact O-N 2.94Å; C323-N326 CarbonylContact O-C 3.47Å; C323-N326 PolarHBondContact O-N 3.04Å; N326-R328 PolarHBondContact O-N 3.35Å; N326-R328 VanDerWaalsContact O-N 3.08Å; N326-R329 PolarHBondContact O-N 3.15Å; N326-N330 PolarHBondContact O-N 3.27Å
327K93.2Very high89.2Confident24 Ų2454.9 Ų54.910%0.10429%0.289CS..THydrogen-bonded Turntrans-56.7-32-170.168.1-175.9169.3-76.90113.8E305 C323 W324 I325 V334 P340 F371E305-K327 IonicContact OE2-NZ 3.55Å; C323-K327 VanDerWaalsContact O-CA 3.27Å; C323-K327 WeakPolarHBondContact O-CA 3.15Å; C323-K327 WeakPolarHBondContact O-CB 3.34Å; C323-K327 PolarHBondContact O-N 3.46Å; W324-K327 HydrophobicContact CD2-CD 4.26Å; W324-K327 HydrophobicContact CE3-CD 4.17Å; W324-K327 HydrophobicContact CH2-CD 4.34Å; W324-K327 HydrophobicContact CZ2-CD 4.45Å; W324-K327 HydrophobicContact CZ3-CD 4.2Å; W324-K327 WeakPolarHBondContact O-CB 3.01Å; W324-K327 VanDerWaalsContact O-CD 3.28Å; W324-K327 WeakPolarHBondContact O-CD 3.47Å; W324-K327 WeakPolarHBondContact O-CG 3.24Å; W324-K327 PolarHBondContact O-NZ 2.68Å; I325-K327 PolarHBondContact O-N 2.72Å; K327-V334 WeakPolarHBondContact O-CG2 3.4Å; K327-P340 HydrophobicContact CB-CB 4.34Å; K327-P340 HydrophobicContact CB-CG 4.23Å; K327-P340 HydrophobicContact CG-CG 4.37Å; K327-P340 WeakPolarHBondContact O-CG 3.24Å; K327-F371 HydrophobicContact CB-CE2 3.58Å; K327-F371 HydrophobicContact CB-CZ 3.44Å; K327-F371 VanDerWaalsContact CB-CZ 3.44Å; K327-F371 HydrophobicContact CD-CZ 4.4Å
328R90.2Very high89.9Confident188 Ų18850.7 Ų50.771%0.70926%0.26SS*.THydrogen-bonded Turntrans-97.21.8-179.3-66.9-169.7179.7148-4.4114.4N326 P340N326-R328 PolarHBondContact O-N 3.35Å; N326-R328 VanDerWaalsContact O-N 3.08Å; R328-P340 HydrophobicContact CG-CG 4.49Å
329R86.2Confident90.5Very high176 Ų17652.7 Ų52.766%0.66427%0.272SS*.THydrogen-bonded Turntrans-121.8-61.5-169.5-171.2-178.2172.2128.61113.1N326N326-R329 PolarHBondContact O-N 3.15Å
330N87.6Confident91Very high54 Ų5449 Ų4929%0.28925%0.25SC..THydrogen-bonded Turntrans-145.123.3-167-153.117.9000113.8N326 R335N326-N330 PolarHBondContact O-N 3.27Å; N330-R335 WeakPolarHBondContact O-CD 3.3Å; N330-R335 WeakPolarHBondContact OD1-CD 3.38Å; N330-R335 VanDerWaalsContact OD1-CG 3.31Å; N330-R335 WeakPolarHBondContact OD1-CG 3.22Å; N330-R335 PolarHBondContact OD1-NH1 2.78Å
331C93.8Very high91.4Very high3 Ų347.3 Ų47.32%0.0224%0.242CC..SBendtrans-89.9163.7171.5-1600000111A333 V334 R335 C359C331-A333 PolarHBondContact O-N 3.21Å; C331-V334 PolarHBondContact O-N 3.45Å; C331-V334 VanDerWaalsContact O-N 3.11Å; C331-R335 PolarHBondContact O-N 2.74Å; C331-C359 VanDerWaalsContact SG-SG 3.7Å
332C94.7Very high91.7Very high14 Ų1443.7 Ų43.710%0.09523%0.227CC..Hα-helixtrans-46.9-50.9-170.3-63.20000114.5V334 R335 A336 C363C332-V334 PolarHBondContact O-N 3.34Å; C332-R335 PolarHBondContact O-N 2.87Å; C332-A336 WeakPolarHBondContact O-CB 3.21Å; C332-A336 PolarHBondContact O-N 3.27Å; C332-C363 PolarHBondContact SG-SG 3.02Å
333A91.1Very high91.7Very high6 Ų643.8 Ų43.85%0.0523%0.227CC..Hα-helixtrans-57.8-51.3-179.800000112.9C331 R335 A336 G337 A338 V339C331-A333 PolarHBondContact O-N 3.21Å; A333-R335 PolarHBondContact O-N 2.88Å; A333-A336 CarbonylContact O-C 3.49Å; A333-A336 WeakPolarHBondContact O-CA 3.42Å; A333-A336 PolarHBondContact O-N 2.96Å; A333-A336 VanDerWaalsContact O-N 3.09Å; A333-G337 PolarHBondContact O-N 3.11Å; A333-A338 CarbonylContact C-O 3.48Å; A333-A338 VanDerWaalsContact C-O 3.28Å; A333-A338 HydrophobicContact CB-CB 4.38Å; A333-A338 WeakPolarHBondContact O-CA 3.22Å; A333-A338 WeakPolarHBondContact O-CB 3.48Å; A333-A338 PolarHBondContact O-N 3.29Å; A333-V339 WeakPolarHBondContact CB-O 3.29Å
334V88.8Confident91.5Very high44 Ų4451 Ų5127%0.26726%0.258SS..Hα-helixtrans-68.5-35.9-179173.70000112.1K327 C331 C332 A336 G337 A338K327-V334 WeakPolarHBondContact O-CG2 3.4Å; C331-V334 PolarHBondContact O-N 3.45Å; C331-V334 VanDerWaalsContact O-N 3.11Å; C332-V334 PolarHBondContact O-N 3.34Å; V334-A336 PolarHBondContact O-N 2.98Å; V334-G337 PolarHBondContact O-N 3.31Å; V334-A338 WeakPolarHBondContact CA-O 3.27Å; V334-A338 PolarHBondContact N-O 3.19Å
335R88.9Confident91.4Very high104 Ų10456.4 Ų56.439%0.39228%0.278SS..Hα-helixtrans-62.7-29.7172.7-71.5179.575.5136.6-11.6112.2E295 N330 C331 C332 A333 G337E295-R335 IonicContact OE1-CZ 3.65Å; E295-R335 IonicContact OE1-NH1 2.9Å; E295-R335 PolarHBondContact OE1-NH1 3.43Å; E295-R335 IonicContact OE1-NH2 3.42Å; E295-R335 PolarHBondContact OE1-NH2 2.89Å; N330-R335 WeakPolarHBondContact O-CD 3.3Å; N330-R335 WeakPolarHBondContact OD1-CD 3.38Å; N330-R335 VanDerWaalsContact OD1-CG 3.31Å; N330-R335 WeakPolarHBondContact OD1-CG 3.22Å; N330-R335 PolarHBondContact OD1-NH1 2.78Å; C331-R335 PolarHBondContact O-N 2.74Å; C332-R335 PolarHBondContact O-N 2.87Å; A333-R335 PolarHBondContact O-N 2.88Å; R335-G337 VanDerWaalsContact C-N 3.28Å
336A88.3Confident91.6Very high47 Ų4758.9 Ų58.939%0.38829%0.289SS..THydrogen-bonded Turntrans-86.48.2173.500000113.5C332 A333 V334 A338 Y357C332-A336 WeakPolarHBondContact O-CB 3.21Å; C332-A336 PolarHBondContact O-N 3.27Å; A333-A336 CarbonylContact O-C 3.49Å; A333-A336 WeakPolarHBondContact O-CA 3.42Å; A333-A336 PolarHBondContact O-N 2.96Å; A333-A336 VanDerWaalsContact O-N 3.09Å; V334-A336 PolarHBondContact O-N 2.98Å; A336-A338 VanDerWaalsContact C-N 3.29Å; A336-A338 PolarHBondContact O-N 3.47Å; A336-Y357 HydrophobicContact CB-CD1 3.81Å; A336-Y357 HydrophobicContact CB-CD2 3.81Å; A336-Y357 HydrophobicContact CB-CE1 3.7Å; A336-Y357 HydrophobicContact CB-CE2 3.67Å; A336-Y357 HydrophobicContact CB-CG 3.87Å
337G87.6Confident91.8Very high76 Ų7662.2 Ų62.278%0.78430%0.301SS*.THydrogen-bonded Turntrans75.712.1-178.700000114.8A333 V334 R335A333-G337 PolarHBondContact O-N 3.11Å; V334-G337 PolarHBondContact O-N 3.31Å; R335-G337 VanDerWaalsContact C-N 3.28Å
338A89.4Confident92Very high10 Ų1062.1 Ų62.18%0.08330%0.302CS..  trans-105.3164.2-178.200000113.2A333 V334 A336 P355 Y357A333-A338 CarbonylContact C-O 3.48Å; A333-A338 VanDerWaalsContact C-O 3.28Å; A333-A338 HydrophobicContact CB-CB 4.38Å; A333-A338 WeakPolarHBondContact O-CA 3.22Å; A333-A338 WeakPolarHBondContact O-CB 3.48Å; A333-A338 PolarHBondContact O-N 3.29Å; V334-A338 WeakPolarHBondContact CA-O 3.27Å; V334-A338 PolarHBondContact N-O 3.19Å; A336-A338 VanDerWaalsContact C-N 3.29Å; A336-A338 PolarHBondContact O-N 3.47Å; A338-P355 HydrophobicContact CB-CG 4.06Å; A338-Y357 HydrophobicContact CB-CD2 3.58Å; A338-Y357 HydrophobicContact CB-CE2 3.83Å
339V90.1Very high92.3Very high54 Ų5457.1 Ų57.133%0.32729%0.292SS..  trans-77.7153.8175.7-61.60000111.7A333 P341 A350 H354A333-V339 WeakPolarHBondContact CB-O 3.29Å; V339-P341 WeakPolarHBondContact O-CD 3.27Å; V339-A350 HydrophobicContact CG2-CB 3.96Å; V339-H354 HydrophobicContact CG2-CB 4.38Å
340P93.6Very high92.4Very high30 Ų3049 Ų4920%0.19526%0.262CS..  trans-55.8122.7173.1-25.435.2000111.3K327 R328 F371K327-P340 HydrophobicContact CB-CB 4.34Å; K327-P340 HydrophobicContact CB-CG 4.23Å; K327-P340 HydrophobicContact CG-CG 4.37Å; K327-P340 WeakPolarHBondContact O-CG 3.24Å; R328-P340 HydrophobicContact CG-CG 4.49Å; P340-F371 HydrophobicContact CB-CZ 4.32Å
341P94.8Very high92.4Very high1 Ų149.3 Ų49.31%0.00627%0.268CS..  trans-75.9-31.5-167.125.3-34.2000113.9V339 L348 V349 A350 V356 Y357 F371V339-P341 WeakPolarHBondContact O-CD 3.27Å; P341-L348 WeakPolarHBondContact O-CA 3.31Å; P341-V349 PolarHBondContact O-N 2.91Å; P341-A350 PolarHBondContact O-N 2.83Å; P341-V356 HydrophobicContact CB-CB 4.31Å; P341-V356 HydrophobicContact CB-CG1 3.58Å; P341-V356 HydrophobicContact CB-CG2 4.45Å; P341-V356 HydrophobicContact CG-CG1 4.31Å; P341-Y357 WeakPolarHBondContact CG-O 3.21Å; P341-F371 HydrophobicContact CG-CD1 4.4Å
342Y97.6Very high91.9Very high2 Ų251.7 Ų51.71%0.00828%0.283CS..BIsolated β-bridgetrans-127.2158.2-170.4-50.1-67.4000113.2W324 R347 L348 V356 E358 F371 V373 Y487W324-Y342 WeakPolarHBondContact CZ3-O 3.45Å; Y342-R347 CarbonylContact C-O 3.56Å; Y342-R347 WeakPolarHBondContact CA-O 3.43Å; Y342-L348 HydrophobicContact CD1-CB 4.41Å; Y342-L348 HydrophobicContact CD1-CD1 4.39Å; Y342-L348 HydrophobicContact CE1-CB 4.47Å; Y342-L348 HydrophobicContact CE1-CD1 4.02Å; Y342-V356 HydrophobicContact CE1-CG1 4.34Å; Y342-V356 HydrophobicContact CE2-CG1 4.14Å; Y342-V356 WeakPolarHBondContact OH-CG1 3.43Å; Y342-E358 HydrophobicContact CE2-CG 4.07Å; Y342-E358 WeakPolarHBondContact CE2-OE1 3.3Å; Y342-E358 PolarHBondContact OH-OE1 2.98Å; Y342-F371 HydrophobicContact CD2-CD1 4.2Å; Y342-F371 WeakPolarHBondContact O-CE1 3.21Å; Y342-V373 HydrophobicContact CD1-CG2 3.98Å; Y342-V373 HydrophobicContact CD2-CB 4.47Å; Y342-V373 HydrophobicContact CD2-CG2 3.52Å; Y342-V373 HydrophobicContact CE1-CB 4.19Å; Y342-V373 HydrophobicContact CE1-CG1 4.49Å; Y342-V373 HydrophobicContact CE1-CG2 3.99Å; Y342-V373 HydrophobicContact CE2-CB 3.98Å; Y342-V373 HydrophobicContact CE2-CG2 3.5Å; Y342-V373 HydrophobicContact CG-CG2 3.76Å; Y342-Y487 AromaticContact CE1-CE1 3.75Å; Y342-Y487 HydrophobicContact CE1-CE1 3.75Å; Y342-Y487 PolarHBondContact OH-OH 2.9Å
343D94.5Very high91.1Very high23 Ų2352.1 Ų52.112%0.12329%0.289CS..  trans-83.3178.3165.374.96.9000112.5R345 K346 R347 V349D343-R345 PolarHBondContact O-N 2.96Å; D343-R345 VanDerWaalsContact OD1-CA 3.24Å; D343-R345 WeakPolarHBondContact OD1-CA 3.27Å; D343-R345 WeakPolarHBondContact OD1-CB 3.18Å; D343-R345 PolarHBondContact OD1-N 3.39Å; D343-K346 PolarHBondContact O-N 2.72Å; D343-K346 PolarHBondContact OD1-N 3.16Å; D343-K346 VanDerWaalsContact OD1-N 3.12Å; D343-R347 PolarHBondContact N-O 3.28Å; D343-R347 PolarHBondContact OD1-N 2.91Å; D343-R347 IonicContact OD1-NE 3.7Å; D343-R347 IonicContact OD2-CZ 3.85Å; D343-R347 IonicContact OD2-NE 2.72Å; D343-R347 PolarHBondContact OD2-NE 2.7Å; D343-R347 IonicContact OD2-NH2 3.17Å; D343-R347 PolarHBondContact OD2-NH2 2.74Å; D343-V349 HydrophobicContact CB-CG1 3.9Å
344K90.3Very high90.8Very high153 Ų15355.3 Ų55.367%0.66530%0.303SS*.THydrogen-bonded Turntrans-62.3-14.3178.568.8178.6-177.7176.90113.9W324W324-K344 HydrophobicContact CD2-CB 4.38Å; W324-K344 HydrophobicContact CE3-CB 4.48Å; W324-K344 HydrophobicContact CH2-CB 3.98Å; W324-K344 HydrophobicContact CZ2-CB 3.82Å; W324-K344 HydrophobicContact CZ3-CB 4.3Å; W324-K344 VanDerWaalsContact CZ3-N 3.25Å
345R92.5Very high90.9Very high166 Ų16654.4 Ų54.463%0.62630%0.298SS*.THydrogen-bonded Turntrans-101.715177.6-60.4178.665.2179.10.3111.7D343 R347D343-R345 PolarHBondContact O-N 2.96Å; D343-R345 VanDerWaalsContact OD1-CA 3.24Å; D343-R345 WeakPolarHBondContact OD1-CA 3.27Å; D343-R345 WeakPolarHBondContact OD1-CB 3.18Å; D343-R345 PolarHBondContact OD1-N 3.39Å; R345-R347 HydrophobicContact CB-CG 4.42Å; R345-R347 PolarHBondContact O-N 2.69Å
346K96.5Very high91.1Very high56 Ų5649.5 Ų49.524%0.24328%0.28CS..SBendtrans6227.7179.2-61.2-171.6177.6-156.10113.6D343 S367 C369 R372 V373D343-K346 PolarHBondContact O-N 2.72Å; D343-K346 PolarHBondContact OD1-N 3.16Å; D343-K346 VanDerWaalsContact OD1-N 3.12Å; K346-S367 PolarHBondContact NZ-O 3.3Å; K346-C369 VanDerWaalsContact CE-O 3.27Å; K346-C369 WeakPolarHBondContact CE-O 3.41Å; K346-C369 PolarHBondContact NZ-O 2.93Å; K346-R372 PolarHBondContact NZ-O 3.47Å; K346-V373 HydrophobicContact CB-CG1 4.47Å; K346-V373 HydrophobicContact CB-CG2 3.7Å; K346-V373 HydrophobicContact CD-CG2 4.2Å; K346-V373 HydrophobicContact CG-CG2 4.04Å
347R97.6Very high91.5Very high76 Ų7648.6 Ų48.629%0.28727%0.266SS..  trans-97.1138.5174.6-58.8179.2-61.4168.45.2110.3Y342 D343 R345 V349 G403Y342-R347 CarbonylContact C-O 3.56Å; Y342-R347 WeakPolarHBondContact CA-O 3.43Å; D343-R347 PolarHBondContact N-O 3.28Å; D343-R347 PolarHBondContact OD1-N 2.91Å; D343-R347 IonicContact OD1-NE 3.7Å; D343-R347 IonicContact OD2-CZ 3.85Å; D343-R347 IonicContact OD2-NE 2.72Å; D343-R347 PolarHBondContact OD2-NE 2.7Å; D343-R347 IonicContact OD2-NH2 3.17Å; D343-R347 PolarHBondContact OD2-NH2 2.74Å; R345-R347 HydrophobicContact CB-CG 4.42Å; R345-R347 PolarHBondContact O-N 2.69Å; R347-V349 PolarHBondContact O-N 2.86Å; R347-G403 CarbonylContact C-O 3.28Å; R347-G403 WeakPolarHBondContact CA-O 3.44Å
348L98Very high92Very high21 Ų2145.1 Ų45.111%0.1123%0.23CC..BIsolated β-bridgetrans-59.6125.1177.5-173.876.9000110.9P341 Y342 A350 V356 G403 R470 Y487P341-L348 WeakPolarHBondContact O-CA 3.31Å; Y342-L348 HydrophobicContact CD1-CB 4.41Å; Y342-L348 HydrophobicContact CD1-CD1 4.39Å; Y342-L348 HydrophobicContact CE1-CB 4.47Å; Y342-L348 HydrophobicContact CE1-CD1 4.02Å; L348-A350 HydrophobicContact CD1-CB 4.13Å; L348-V356 HydrophobicContact CD1-CG2 3.75Å; L348-G403 PolarHBondContact N-O 3.33Å; L348-R470 HydrophobicContact CD2-CG 3.73Å; L348-Y487 HydrophobicContact CB-CD1 3.76Å; L348-Y487 HydrophobicContact CB-CE1 4.12Å; L348-Y487 HydrophobicContact CB-CG 4.21Å; L348-Y487 HydrophobicContact CD1-CE1 4.39Å; L348-Y487 HydrophobicContact CD2-CD1 4.23Å; L348-Y487 HydrophobicContact CD2-CD2 4Å; L348-Y487 HydrophobicContact CD2-CG 3.85Å; L348-Y487 HydrophobicContact CG-CD1 4.44Å
349V95.4Very high92.4Very high83 Ų8344.6 Ų44.650%0.50323%0.226SC..  trans-122-11.2173.1-62.80000112.5P341 D343 R347P341-V349 PolarHBondContact O-N 2.91Å; D343-V349 HydrophobicContact CB-CG1 3.9Å; R347-V349 PolarHBondContact O-N 2.86Å
350A90.1Very high92.7Very high6 Ų642.2 Ų42.25%0.0521%0.211CC..SBendtrans-58.8130.1171.300000110.5V339 P341 L348 H354V339-A350 HydrophobicContact CG2-CB 3.96Å; P341-A350 PolarHBondContact O-N 2.83Å; L348-A350 HydrophobicContact CD1-CB 4.13Å; A350-H354 HydrophobicContact CB-CB 4.4Å
351P87.1Confident92.7Very high61 Ų6143.7 Ų43.740%0.39622%0.222SC..PPolyproline II helixtrans-61.1162.1176.7-2031.3000112.2H354P351-H354 WeakPolarHBondContact O-CB 3.44Å; P351-H354 PolarHBondContact O-N 2.62Å
352P82.2Confident92.6Very high53 Ų5347.9 Ų47.934%0.34424%0.244SC..THydrogen-bonded Turntrans-51.1150.2164-19.529.6000112.7H354 R470 V508P352-H354 PolarHBondContact O-N 3.08Å; P352-H354 PolarHBondContact O-ND1 3.31Å; P352-H354 VanDerWaalsContact O-ND1 3.07Å; P352-R470 VanDerWaalsContact CA-CZ 3.44Å; P352-R470 VanDerWaalsContact CA-NH2 3.25Å; P352-R470 VanDerWaalsContact N-NH2 3.13Å; P352-V508 WeakPolarHBondContact CB-O 3.44Å
353G78.5Confident92.5Very high22 Ų2248.3 Ų48.323%0.22725%0.247CC..THydrogen-bonded Turntrans78.1-11.8-175.600000115A507G353-A507 VanDerWaalsContact CA-O 3.23Å; G353-A507 WeakPolarHBondContact CA-O 3.39Å; G353-A507 PolarHBondContact N-O 2.7Å
354H85.2Confident92.5Very high74 Ų7450.9 Ų50.934%0.34327%0.265SS..  trans-93.2135.4-176.2-68.563.8000112.1V339 A350 P351 P352V339-H354 HydrophobicContact CG2-CB 4.38Å; A350-H354 HydrophobicContact CB-CB 4.4Å; P351-H354 WeakPolarHBondContact O-CB 3.44Å; P351-H354 PolarHBondContact O-N 2.62Å; P352-H354 PolarHBondContact O-N 3.08Å; P352-H354 PolarHBondContact O-ND1 3.31Å; P352-H354 VanDerWaalsContact O-ND1 3.07Å
355P89.8Confident92.8Very high25 Ų2544.4 Ų44.416%0.16224%0.239CC..  trans-67.5146.617427.8-34.1000111.5A338 Y357 F439 F473A338-P355 HydrophobicContact CB-CG 4.06Å; P355-Y357 HydrophobicContact CB-CD2 4.18Å; P355-Y357 HydrophobicContact CB-CE2 3.66Å; P355-Y357 HydrophobicContact CG-CD2 4.33Å; P355-Y357 HydrophobicContact CG-CE2 3.69Å; P355-F439 HydrophobicContact CB-CE1 4.43Å; P355-F439 HydrophobicContact CB-CE2 3.95Å; P355-F439 HydrophobicContact CB-CZ 3.58Å; P355-F439 HydrophobicContact CG-CE2 4.49Å; P355-F439 HydrophobicContact CG-CZ 3.9Å; P355-F473 HydrophobicContact CB-CD2 4.08Å; P355-F473 HydrophobicContact CB-CE2 3.77Å
356V94.9Very high92.8Very high0 Ų041.2 Ų41.20%023%0.234CC..EExtended strand (participates in β ladder)trans-105.3113.1176.4175.60000108.7P341 Y342 L348 R470 C471 V472 F473P341-V356 HydrophobicContact CB-CB 4.31Å; P341-V356 HydrophobicContact CB-CG1 3.58Å; P341-V356 HydrophobicContact CB-CG2 4.45Å; P341-V356 HydrophobicContact CG-CG1 4.31Å; Y342-V356 HydrophobicContact CE1-CG1 4.34Å; Y342-V356 HydrophobicContact CE2-CG1 4.14Å; Y342-V356 WeakPolarHBondContact OH-CG1 3.43Å; L348-V356 HydrophobicContact CD1-CG2 3.75Å; V356-R470 HydrophobicContact CG2-CB 4.21Å; V356-C471 PolarHBondContact N-O 3.36Å; V356-V472 HydrophobicContact CB-CB 4.42Å; V356-V472 HydrophobicContact CB-CG1 4.39Å; V356-V472 HydrophobicContact CB-CG2 3.99Å; V356-V472 HydrophobicContact CG1-CG1 4.06Å; V356-V472 HydrophobicContact CG1-CG2 4.12Å; V356-V472 CarbonylContact O-C 3.43Å; V356-V472 VanDerWaalsContact O-CA 3.27Å; V356-V472 WeakPolarHBondContact O-CA 3.47Å; V356-F473 PolarHBondContact O-N 3.35Å
357Y96.1Very high92.7Very high29 Ų2942.4 Ų42.411%0.11425%0.249CC..EExtended strand (participates in β ladder)trans-104.8117.3174-71-89.4000110.7A336 A338 P341 P355 F473 L477A336-Y357 HydrophobicContact CB-CD1 3.81Å; A336-Y357 HydrophobicContact CB-CD2 3.81Å; A336-Y357 HydrophobicContact CB-CE1 3.7Å; A336-Y357 HydrophobicContact CB-CE2 3.67Å; A336-Y357 HydrophobicContact CB-CG 3.87Å; A338-Y357 HydrophobicContact CB-CD2 3.58Å; A338-Y357 HydrophobicContact CB-CE2 3.83Å; P341-Y357 WeakPolarHBondContact CG-O 3.21Å; P355-Y357 HydrophobicContact CB-CD2 4.18Å; P355-Y357 HydrophobicContact CB-CE2 3.66Å; P355-Y357 HydrophobicContact CG-CD2 4.33Å; P355-Y357 HydrophobicContact CG-CE2 3.69Å; Y357-F473 WeakPolarHBondContact CA-O 3.28Å; Y357-F473 HydrophobicContact CD1-CB 3.56Å; Y357-F473 HydrophobicContact CD1-CD2 4.32Å; Y357-F473 HydrophobicContact CD1-CG 4.27Å; Y357-F473 HydrophobicContact CE1-CB 3.59Å; Y357-F473 AromaticContact CE1-CD2 3.88Å; Y357-F473 HydrophobicContact CE1-CD2 3.88Å; Y357-F473 AromaticContact CE1-CG 3.86Å; Y357-F473 HydrophobicContact CE1-CG 3.86Å; Y357-F473 HydrophobicContact CE2-CD2 4.25Å; Y357-F473 HydrophobicContact CG-CB 4.35Å; Y357-F473 AromaticContact CZ-CD2 3.85Å; Y357-L477 HydrophobicContact CD1-CD2 4.25Å; Y357-L477 HydrophobicContact CE1-CD2 4.34Å
358E98Very high92.5Very high2 Ų241.2 Ų41.21%0.00925%0.253CS..  trans-86.2163.1172.3-60.3-148.6150.600112Y342 F371 V373 V374 Q375 V472 F473 I474Y342-E358 HydrophobicContact CE2-CG 4.07Å; Y342-E358 WeakPolarHBondContact CE2-OE1 3.3Å; Y342-E358 PolarHBondContact OH-OE1 2.98Å; E358-F371 VanDerWaalsContact CA-O 3.31Å; E358-F371 WeakPolarHBondContact CA-O 3.34Å; E358-F371 VanDerWaalsContact CB-O 3.26Å; E358-F371 WeakPolarHBondContact CB-O 3.23Å; E358-V373 VanDerWaalsContact CD-N 3.3Å; E358-V373 VanDerWaalsContact OE1-CA 3.28Å; E358-V373 WeakPolarHBondContact OE1-CA 3.35Å; E358-V373 VanDerWaalsContact OE1-CB 3.26Å; E358-V373 WeakPolarHBondContact OE1-CB 3.47Å; E358-V373 PolarHBondContact OE1-N 3.39Å; E358-V373 PolarHBondContact OE2-N 3.17Å; E358-V373 VanDerWaalsContact OE2-N 3.14Å; E358-V374 PolarHBondContact OE1-N 3.41Å; E358-V374 PolarHBondContact OE2-N 2.71Å; E358-Q375 WeakPolarHBondContact OE2-CG 3.33Å; E358-Q375 PolarHBondContact OE2-N 2.78Å; E358-Q375 PolarHBondContact OE2-NE2 3.4Å; E358-V472 HydrophobicContact CG-CG1 4.05Å; E358-F473 PolarHBondContact N-O 2.97Å; E358-I474 HydrophobicContact CB-CD1 4.35Å; E358-I474 HydrophobicContact CB-CG1 4.01Å; E358-I474 HydrophobicContact CB-CG2 4.33Å; E358-I474 HydrophobicContact CG-CD1 4.16Å; E358-I474 HydrophobicContact CG-CG1 4.11Å
359C97.8Very high92.4Very high0 Ų040.3 Ų40.30%025%0.248CC..  trans-67.4147.3161.3-70.90000109.9C323 C331 C363 C365 F371 R372 Q375C323-C359 VanDerWaalsContact SG-SG 3.66Å; C331-C359 VanDerWaalsContact SG-SG 3.7Å; C359-C363 HydrophobicContact CB-CB 4.05Å; C359-C365 VanDerWaalsContact CB-SG 3.56Å; C359-C365 VanDerWaalsContact SG-SG 3.67Å; C359-F371 PolarHBondContact N-O 3.32Å; C359-R372 HydrophobicContact CB-CG 4.02Å; C359-R372 PolarHBondContact O-NH1 3.41Å; C359-R372 VanDerWaalsContact O-NH1 3.17Å; C359-Q375 PolarHBondContact O-NE2 3.25Å
360N95.8Very high92.4Very high3 Ų336.5 Ų36.52%0.01623%0.225CC..  trans-126.9-174-171.559.836.5000112.1A290 I292 L362 C363 R372 I474 E475A290-N360 HydrophobicContact CB-CB 3.89Å; A290-N360 WeakPolarHBondContact CB-ND2 3.47Å; I292-N360 PolarHBondContact O-ND2 2.86Å; N360-L362 PolarHBondContact O-N 3.29Å; N360-L362 PolarHBondContact OD1-N 3.24Å; N360-L362 VanDerWaalsContact OD1-N 3.16Å; N360-C363 PolarHBondContact N-SG 3.4Å; N360-C363 WeakPolarHBondContact O-CB 3.36Å; N360-C363 PolarHBondContact O-N 3.49Å; N360-C363 PolarHBondContact OD1-SG 2.91Å; N360-R372 PolarHBondContact O-NH1 3.14Å; N360-R372 PolarHBondContact O-NH2 3Å; N360-I474 HydrophobicContact CB-CG2 4.19Å; N360-I474 WeakPolarHBondContact CB-O 3.47Å; N360-I474 PolarHBondContact ND2-O 3.42Å; N360-E475 WeakPolarHBondContact CB-OE1 3.26Å
361S93Very high92.8Very high61 Ų6136.4 Ų36.443%0.42722%0.224SC..THydrogen-bonded Turntrans-59.9-23.6-176.263.80000114.6E475S361-E475 VanDerWaalsContact CB-OE1 3.28Å; S361-E475 WeakPolarHBondContact CB-OE1 3.47Å; S361-E475 WeakPolarHBondContact CB-OE2 3.38Å; S361-E475 PolarHBondContact N-OE1 3.03Å; S361-E475 VanDerWaalsContact OG-CD 3.32Å; S361-E475 PolarHBondContact OG-OE1 3.1Å; S361-E475 PolarHBondContact OG-OE2 3.41Å
362L93.4Very high93.3Very high90 Ų9034.4 Ų34.447%0.47121%0.208SC..THydrogen-bonded Turntrans-84.5-10.4174.8-70.6-171.6000113.8A290 N360A290-L362 WeakPolarHBondContact O-CD1 3.5Å; N360-L362 PolarHBondContact O-N 3.29Å; N360-L362 PolarHBondContact OD1-N 3.24Å; N360-L362 VanDerWaalsContact OD1-N 3.16Å
363C96.1Very high94Very high10 Ų1032.5 Ų32.57%0.06820%0.195CC..SBendtrans-81138.9179-56.40000110.7G293 C294 C332 C359 N360 C365 R372G293-C363 VanDerWaalsContact CA-SG 3.55Å; C294-C363 PolarHBondContact N-SG 2.75Å; C332-C363 PolarHBondContact SG-SG 3.02Å; C359-C363 HydrophobicContact CB-CB 4.05Å; N360-C363 PolarHBondContact N-SG 3.4Å; N360-C363 WeakPolarHBondContact O-CB 3.36Å; N360-C363 PolarHBondContact O-N 3.49Å; N360-C363 PolarHBondContact OD1-SG 2.91Å; C363-C365 PolarHBondContact O-N 3.02Å; C363-R372 PolarHBondContact O-NH2 3.38Å
364P95.3Very high94.9Very high78 Ų7831.6 Ų31.651%0.50619%0.186SC..SBendtrans-74.1-9-178.931.4-36.9000113.8C294 C296 T297C294-P364 WeakPolarHBondContact O-CD 3.31Å; C296-P364 WeakPolarHBondContact O-CG 3.21Å; T297-P364 HydrophobicContact CG2-CB 4.07Å; T297-P364 HydrophobicContact CG2-CG 3.73Å
365C95.1Very high95.4Very high17 Ų1731.4 Ų31.412%0.11519%0.185CC..  trans-77.9144.1178.865.50000112.1C359 C363 C369 R372C359-C365 VanDerWaalsContact CB-SG 3.56Å; C359-C365 VanDerWaalsContact SG-SG 3.67Å; C363-C365 PolarHBondContact O-N 3.02Å; C365-C369 HydrophobicContact CB-CB 3.96Å; C365-R372 PolarHBondContact O-NE 3.43Å; C365-R372 PolarHBondContact O-NH2 3.01Å
366D94Very high95.6Very high99 Ų9932.7 Ų32.753%0.52919%0.19SC..  trans-87.3-168.9-179.86617.1000112.9S368 C369 R372D366-S368 PolarHBondContact O-N 3.02Å; D366-S368 WeakPolarHBondContact OD1-CA 3.34Å; D366-S368 WeakPolarHBondContact OD1-CB 3.45Å; D366-S368 PolarHBondContact OD1-N 3.43Å; D366-S368 PolarHBondContact OD1-OG 3Å; D366-C369 WeakPolarHBondContact O-CB 3.28Å; D366-C369 PolarHBondContact O-N 2.73Å; D366-C369 VanDerWaalsContact O-N 3.13Å; D366-R372 VanDerWaalsContact O-CD 3.24Å; D366-R372 WeakPolarHBondContact O-CD 3.31Å; D366-R372 PolarHBondContact O-NE 3.43Å
367S93.6Very high95.5Very high80 Ų8034.1 Ų34.156%0.55921%0.205SC*.THydrogen-bonded Turntrans-65.3-15.5178.858.90000114.4K346 C369K346-S367 PolarHBondContact NZ-O 3.3Å; S367-C369 PolarHBondContact O-N 3.19Å
368S93.2Very high95.4Very high51 Ų5133.3 Ų33.336%0.35720%0.202SC..THydrogen-bonded Turntrans-72.8-19.1174.279.90000112.2Y321 D366Y321-S368 WeakPolarHBondContact CE1-OG 3.37Å; D366-S368 PolarHBondContact O-N 3.02Å; D366-S368 WeakPolarHBondContact OD1-CA 3.34Å; D366-S368 WeakPolarHBondContact OD1-CB 3.45Å; D366-S368 PolarHBondContact OD1-N 3.43Å; D366-S368 PolarHBondContact OD1-OG 3Å
369C96Very high95.3Very high3 Ų338.1 Ų38.12%0.0222%0.223CC..  trans-51.6128178.1-178.20000111.6K346 C365 D366 S367 F371 R372K346-C369 VanDerWaalsContact CE-O 3.27Å; K346-C369 WeakPolarHBondContact CE-O 3.41Å; K346-C369 PolarHBondContact NZ-O 2.93Å; C365-C369 HydrophobicContact CB-CB 3.96Å; D366-C369 WeakPolarHBondContact O-CB 3.28Å; D366-C369 PolarHBondContact O-N 2.73Å; D366-C369 VanDerWaalsContact O-N 3.13Å; S367-C369 PolarHBondContact O-N 3.19Å; C369-F371 PolarHBondContact O-N 3.45Å; C369-F371 VanDerWaalsContact O-N 3.14Å; C369-F371 PolarHBondContact SG-N 2.94Å; C369-F371 VanDerWaalsContact SG-N 3.42Å; C369-R372 HydrophobicContact CB-CG 4.02Å; C369-R372 PolarHBondContact O-N 3.39Å; C369-R372 VanDerWaalsContact O-N 3.13Å
370P95.5Very high95.2Very high2 Ų238.6 Ų38.61%0.01323%0.225CC..THydrogen-bonded Turntrans-67-13.3178.625.2-32.2000113.2W324W324-P370 HydrophobicContact CB-CG 3.91Å; W324-P370 HydrophobicContact CD2-CG 4.39Å; W324-P370 HydrophobicContact CE3-CB 4.25Å; W324-P370 HydrophobicContact CE3-CG 3.85Å; W324-P370 HydrophobicContact CG-CG 4.46Å
371F97.8Very high95.3Very high5 Ų539.8 Ų39.82%0.02223%0.233CC..THydrogen-bonded Turntrans-99.121.3175.9-51.4-34000113.7C323 W324 K327 P340 P341 Y342 E358 C359 C369C323-F371 HydrophobicContact CB-CD2 3.87Å; C323-F371 HydrophobicContact CB-CE2 4.24Å; C323-F371 VanDerWaalsContact O-CE2 3.25Å; C323-F371 WeakPolarHBondContact O-CE2 3.21Å; W324-F371 AromaticContact CE3-CE1 3.93Å; W324-F371 HydrophobicContact CE3-CE1 3.93Å; W324-F371 AromaticContact CE3-CZ 3.84Å; W324-F371 HydrophobicContact CE3-CZ 3.84Å; W324-F371 HydrophobicContact CZ3-CE1 4.04Å; W324-F371 HydrophobicContact CZ3-CZ 4.23Å; K327-F371 HydrophobicContact CB-CE2 3.58Å; K327-F371 HydrophobicContact CB-CZ 3.44Å; K327-F371 VanDerWaalsContact CB-CZ 3.44Å; K327-F371 HydrophobicContact CD-CZ 4.4Å; P340-F371 HydrophobicContact CB-CZ 4.32Å; P341-F371 HydrophobicContact CG-CD1 4.4Å; Y342-F371 HydrophobicContact CD2-CD1 4.2Å; Y342-F371 WeakPolarHBondContact O-CE1 3.21Å; E358-F371 VanDerWaalsContact CA-O 3.31Å; E358-F371 WeakPolarHBondContact CA-O 3.34Å; E358-F371 VanDerWaalsContact CB-O 3.26Å; E358-F371 WeakPolarHBondContact CB-O 3.23Å; C359-F371 PolarHBondContact N-O 3.32Å; C369-F371 PolarHBondContact O-N 3.45Å; C369-F371 VanDerWaalsContact O-N 3.14Å; C369-F371 PolarHBondContact SG-N 2.94Å; C369-F371 VanDerWaalsContact SG-N 3.42Å
372R97.8Very high95.5Very high19 Ų1936.9 Ų36.97%0.07221%0.213CC..  trans-120109.6163.9-61.6-173.3-174.5-88.82.8108.2K346 C359 N360 C363 C365 D366 C369 Q375 L376K346-R372 PolarHBondContact NZ-O 3.47Å; C359-R372 HydrophobicContact CB-CG 4.02Å; C359-R372 PolarHBondContact O-NH1 3.41Å; C359-R372 VanDerWaalsContact O-NH1 3.17Å; N360-R372 PolarHBondContact O-NH1 3.14Å; N360-R372 PolarHBondContact O-NH2 3Å; C363-R372 PolarHBondContact O-NH2 3.38Å; C365-R372 PolarHBondContact O-NE 3.43Å; C365-R372 PolarHBondContact O-NH2 3.01Å; D366-R372 VanDerWaalsContact O-CD 3.24Å; D366-R372 WeakPolarHBondContact O-CD 3.31Å; D366-R372 PolarHBondContact O-NE 3.43Å; C369-R372 HydrophobicContact CB-CG 4.02Å; C369-R372 PolarHBondContact O-N 3.39Å; C369-R372 VanDerWaalsContact O-N 3.13Å; R372-Q375 HydrophobicContact CB-CG 4.11Å; R372-L376 HydrophobicContact CB-CD1 4.18Å; R372-L376 HydrophobicContact CB-CD2 4.44Å; R372-L376 HydrophobicContact CB-CG 4.2Å; R372-L376 WeakPolarHBondContact O-CD1 3.13Å
373V98.1Very high95.7Very high12 Ų1232.6 Ų32.67%0.07319%0.191CC..  trans-132.2-64.9-174.9-1740000110.6Y342 K346 E358 L376 Y405Y342-V373 HydrophobicContact CD1-CG2 3.98Å; Y342-V373 HydrophobicContact CD2-CB 4.47Å; Y342-V373 HydrophobicContact CD2-CG2 3.52Å; Y342-V373 HydrophobicContact CE1-CB 4.19Å; Y342-V373 HydrophobicContact CE1-CG1 4.49Å; Y342-V373 HydrophobicContact CE1-CG2 3.99Å; Y342-V373 HydrophobicContact CE2-CB 3.98Å; Y342-V373 HydrophobicContact CE2-CG2 3.5Å; Y342-V373 HydrophobicContact CG-CG2 3.76Å; K346-V373 HydrophobicContact CB-CG1 4.47Å; K346-V373 HydrophobicContact CB-CG2 3.7Å; K346-V373 HydrophobicContact CD-CG2 4.2Å; K346-V373 HydrophobicContact CG-CG2 4.04Å; E358-V373 VanDerWaalsContact CD-N 3.3Å; E358-V373 VanDerWaalsContact OE1-CA 3.28Å; E358-V373 WeakPolarHBondContact OE1-CA 3.35Å; E358-V373 VanDerWaalsContact OE1-CB 3.26Å; E358-V373 WeakPolarHBondContact OE1-CB 3.47Å; E358-V373 PolarHBondContact OE1-N 3.39Å; E358-V373 PolarHBondContact OE2-N 3.17Å; E358-V373 VanDerWaalsContact OE2-N 3.14Å; V373-L376 PolarHBondContact O-N 3Å; V373-Y405 HydrophobicContact CG1-CD1 4.26Å; V373-Y405 HydrophobicContact CG1-CG 4.19Å
374V97.4Very high95.8Very high4 Ų432.1 Ų32.12%0.02419%0.187CC..G310 helixtrans-63.6-45.8-176.6178.40000110.8E358 L376 G377 Y405 V472 I474 A485 Y487E358-V374 PolarHBondContact OE1-N 3.41Å; E358-V374 PolarHBondContact OE2-N 2.71Å; V374-L376 PolarHBondContact O-N 2.85Å; V374-L376 VanDerWaalsContact O-N 3.1Å; V374-G377 PolarHBondContact O-N 2.97Å; V374-Y405 HydrophobicContact CB-CE2 4.42Å; V374-Y405 HydrophobicContact CG1-CE2 4.13Å; V374-Y405 HydrophobicContact CG2-CD2 3.94Å; V374-Y405 HydrophobicContact CG2-CE2 3.96Å; V374-Y405 HydrophobicContact CG2-CG 4.31Å; V374-V472 HydrophobicContact CB-CG1 4.45Å; V374-V472 HydrophobicContact CG2-CG1 4.2Å; V374-V472 HydrophobicContact CG2-CG2 4.23Å; V374-I474 HydrophobicContact CB-CD1 4.24Å; V374-I474 HydrophobicContact CG1-CD1 4.45Å; V374-A485 HydrophobicContact CG1-CB 4.39Å; V374-A485 HydrophobicContact CG2-CB 3.91Å; V374-Y487 WeakPolarHBondContact CG2-OH 3.27Å
375Q94.4Very high95.9Very high69 Ų6929.9 Ų29.932%0.32217%0.17SC..G310 helixtrans-63-17.9178.571.9-168.1-94.900114.1E358 C359 R372 G377 I474E358-Q375 WeakPolarHBondContact OE2-CG 3.33Å; E358-Q375 PolarHBondContact OE2-N 2.78Å; E358-Q375 PolarHBondContact OE2-NE2 3.4Å; C359-Q375 PolarHBondContact O-NE2 3.25Å; R372-Q375 HydrophobicContact CB-CG 4.11Å; Q375-G377 PolarHBondContact O-N 2.84Å; Q375-I474 HydrophobicContact CB-CD1 3.94Å; Q375-I474 HydrophobicContact CB-CG2 4.48Å
376L94.1Very high95.9Very high52 Ų5230.6 Ų30.627%0.27217%0.17SC..G310 helixtrans-84.80.9178.6-58.6-176.2000112.6R372 V373 V374 K379R372-L376 HydrophobicContact CB-CD1 4.18Å; R372-L376 HydrophobicContact CB-CD2 4.44Å; R372-L376 HydrophobicContact CB-CG 4.2Å; R372-L376 WeakPolarHBondContact O-CD1 3.13Å; V373-L376 PolarHBondContact O-N 3Å; V374-L376 PolarHBondContact O-N 2.85Å; V374-L376 VanDerWaalsContact O-N 3.1Å; L376-K379 WeakPolarHBondContact O-CE 3.22Å; L376-K379 PolarHBondContact O-NZ 2.93Å
377G92.9Very high95.8Very high31 Ų3126.1 Ų26.132%0.3215%0.146SC..  trans76.7171.9178.400000113.9V374 Q375V374-G377 PolarHBondContact O-N 2.97Å; Q375-G377 PolarHBondContact O-N 2.84Å
378R94.3Very high95.6Very high12 Ų1232.3 Ų32.35%0.04516%0.158CC..  trans-62.7138.4-179.3178.6177.376.8-110.3-10.1111.4Y251 A255 V380 V406Y251-R378 PolarHBondContact OH-NH1 3.17Å; A255-R378 HydrophobicContact CB-CB 4.45Å; A255-R378 HydrophobicContact CB-CG 3.96Å; A255-R378 VanDerWaalsContact CB-O 3.29Å; A255-R378 WeakPolarHBondContact CB-O 3.34Å; A255-R378 PolarHBondContact O-NE 2.8Å; A255-R378 PolarHBondContact O-NH2 2.82Å; R378-V380 WeakPolarHBondContact CD-O 3.28Å; R378-V380 HydrophobicContact CG-CB 4.48Å; R378-V380 WeakPolarHBondContact CG-O 3.48Å; R378-V380 PolarHBondContact NE-O 3.07Å; R378-V380 VanDerWaalsContact NE-O 3.15Å; R378-V406 WeakPolarHBondContact CD-O 3.42Å; R378-V406 VanDerWaalsContact CG-O 3.23Å; R378-V406 WeakPolarHBondContact CG-O 3.12Å
379K95Very high95.2Very high103 Ų10332.8 Ų32.845%0.44816%0.156SC..  trans-116.3-2.9173.7-53.9-58.1175.4-169.10114.2E254 L376E254-K379 WeakPolarHBondContact OE2-CD 3.12Å; E254-K379 IonicContact OE2-NZ 2.73Å; E254-K379 PolarHBondContact OE2-NZ 3.36Å; L376-K379 WeakPolarHBondContact O-CE 3.22Å; L376-K379 PolarHBondContact O-NZ 2.93Å
380V96.3Very high94.7Very high9 Ų935.7 Ų35.76%0.05517%0.167CC..SBendtrans-99.6121.6-177.6-176.70000109.9R378 L382 V398 I400 T404R378-V380 WeakPolarHBondContact CD-O 3.28Å; R378-V380 HydrophobicContact CG-CB 4.48Å; R378-V380 WeakPolarHBondContact CG-O 3.48Å; R378-V380 PolarHBondContact NE-O 3.07Å; R378-V380 VanDerWaalsContact NE-O 3.15Å; V380-L382 HydrophobicContact CB-CD2 4.5Å; V380-L382 HydrophobicContact CG1-CD2 3.78Å; V380-L382 HydrophobicContact CG1-CG 4.43Å; V380-V398 HydrophobicContact CG1-CG2 4.06Å; V380-I400 HydrophobicContact CG1-CD1 3.68Å; V380-I400 HydrophobicContact CG1-CG1 4.01Å; V380-I400 HydrophobicContact CG2-CD1 4.5Å; V380-T404 HydrophobicContact CG2-CG2 4.39Å
381P97.4Very high94.5Very high28 Ų2836.9 Ų36.918%0.18218%0.179CC..  trans-70.3132170.828.7-34.7000110.8P256 M397 V398P256-P381 HydrophobicContact CG-CB 4.25Å; P256-P381 WeakPolarHBondContact O-CA 3.37Å; P381-M397 HydrophobicContact CB-CB 4.26Å; P381-M397 HydrophobicContact CG-CB 4.27Å; P381-M397 PolarHBondContact O-N 2.76Å; P381-V398 HydrophobicContact CG-CB 4.45Å; P381-V398 HydrophobicContact CG-CG1 3.7Å; P381-V398 HydrophobicContact CG-CG2 3.95Å
382L98.2Very high94.2Very high0 Ų037.9 Ų37.90%018%0.182CC..EExtended strand (participates in β ladder)trans-126.4159.2-172.7-63.2178.9000111P256 I257 T258 V380 V394 V406 I455 L498P256-L382 PolarHBondContact O-N 3.23Å; I257-L382 VanDerWaalsContact CA-O 3.3Å; I257-L382 WeakPolarHBondContact CA-O 3.47Å; T258-L382 PolarHBondContact N-O 3.42Å; V380-L382 HydrophobicContact CB-CD2 4.5Å; V380-L382 HydrophobicContact CG1-CD2 3.78Å; V380-L382 HydrophobicContact CG1-CG 4.43Å; L382-V394 HydrophobicContact CB-CG1 4.03Å; L382-V394 HydrophobicContact CD1-CG1 4.06Å; L382-V394 HydrophobicContact CD2-CG1 4.29Å; L382-V394 HydrophobicContact CG-CG1 4.35Å; L382-V406 HydrophobicContact CD1-CG1 4.4Å; L382-I455 HydrophobicContact CB-CD1 3.53Å; L382-I455 HydrophobicContact CD1-CD1 3.93Å; L382-I455 HydrophobicContact CD1-CG2 4.02Å; L382-I455 HydrophobicContact CG-CD1 4.38Å; L382-L498 HydrophobicContact CD1-CD1 4.46Å; L382-L498 HydrophobicContact CD2-CD1 3.51Å
383C98Very high94.2Very high0 Ų037 Ų370%018%0.179CC..EExtended strand (participates in β ladder)trans-127.4124.7174.8179.20000110.1T258 V394 K395 M397T258-C383 CarbonylContact O-C 3.58Å; T258-C383 VanDerWaalsContact O-CA 3.28Å; T258-C383 WeakPolarHBondContact O-CA 3.47Å; T258-C383 WeakPolarHBondContact OG1-CB 3.22Å; T258-C383 PolarHBondContact OG1-SG 2.6Å; C383-V394 CarbonylContact O-C 3.48Å; C383-V394 WeakPolarHBondContact O-CA 3.31Å; C383-K395 HydrophobicContact CB-CD 4.49Å; C383-K395 HydrophobicContact CB-CG 3.83Å; C383-K395 PolarHBondContact N-O 3.06Å; C383-K395 PolarHBondContact O-N 2.86Å; C383-M397 HydrophobicContact CB-CG 3.99Å; C383-M397 HydrophobicContact CB-SD 3.51Å; C383-M397 VanDerWaalsContact CB-SD 3.51Å
384V97.7Very high94.2Very high0 Ų036.4 Ų36.40%018%0.176CC..EExtended strand (participates in β ladder)trans-80.5119.8166179.20000107.4L247 I257 T258 V259 E260 W392 G393 I455 F458L247-V384 HydrophobicContact CD1-CG2 3.99Å; I257-V384 HydrophobicContact CG2-CG2 4.09Å; T258-V384 PolarHBondContact O-N 3.49Å; V259-V384 CarbonylContact C-O 3.59Å; V259-V384 VanDerWaalsContact CA-O 3.29Å; V259-V384 WeakPolarHBondContact CA-O 3.35Å; V259-V384 HydrophobicContact CG1-CB 4.44Å; V259-V384 HydrophobicContact CG2-CB 4.37Å; E260-V384 PolarHBondContact N-O 2.68Å; V384-W392 HydrophobicContact CG1-CB 4.4Å; V384-W392 HydrophobicContact CG1-CD2 4.35Å; V384-W392 HydrophobicContact CG1-CE3 3.67Å; V384-W392 HydrophobicContact CG1-CZ3 4.34Å; V384-G393 CarbonylContact C-O 3.54Å; V384-G393 WeakPolarHBondContact CA-O 3.44Å; V384-I455 HydrophobicContact CG2-CD1 3.73Å; V384-I455 HydrophobicContact CG2-CG1 3.52Å; V384-F458 HydrophobicContact CG1-CB 4.37Å; V384-F458 HydrophobicContact CG1-CD1 4.18Å; V384-F458 HydrophobicContact CG1-CG 4.09Å; V384-F458 HydrophobicContact CG2-CD2 4.18Å; V384-F458 HydrophobicContact CG2-CG 4.38Å
385F96.9Very high94.2Very high32 Ų3237.8 Ų37.814%0.1418%0.181CC..EExtended strand (participates in β ladder)trans-131.5147.4-175.378.3-77000111.9E260 T387 G393 K395 E497E260-F385 HydrophobicContact CG-CB 3.56Å; E260-F385 VanDerWaalsContact O-CA 3.3Å; E260-F385 WeakPolarHBondContact O-CA 3.13Å; F385-T387 HydrophobicContact CE2-CG2 3.88Å; F385-T387 HydrophobicContact CZ-CG2 3.92Å; F385-T387 PolarHBondContact O-N 3.31Å; F385-G393 WeakPolarHBondContact CD1-O 3.43Å; F385-G393 PolarHBondContact N-O 3.29Å; F385-G393 PolarHBondContact O-N 3.07Å; F385-K395 HydrophobicContact CD1-CB 3.97Å; F385-K395 HydrophobicContact CD1-CD 3.92Å; F385-K395 HydrophobicContact CD1-CG 3.78Å; F385-K395 HydrophobicContact CE1-CB 3.82Å; F385-K395 HydrophobicContact CE1-CD 4.32Å; F385-K395 HydrophobicContact CE1-CG 4.15Å; F385-K395 HydrophobicContact CG-CD 4.14Å; F385-K395 HydrophobicContact CG-CG 4.45Å; F385-E497 HydrophobicContact CE1-CB 4.25Å; F385-E497 HydrophobicContact CE1-CG 3.94Å; F385-E497 HydrophobicContact CZ-CB 4.06Å; F385-E497 HydrophobicContact CZ-CG 3.88Å
386R95.7Very high94.4Very high31 Ų3134.5 Ų34.512%0.11717%0.166CC..EExtended strand (participates in β ladder)trans-73.7120.2173.2-169.660.717671.7-2.2110.1E260 N261 V263 D264 E266 W392E260-R386 PolarHBondContact O-N 3.5Å; E260-R386 VanDerWaalsContact O-N 3.08Å; N261-R386 HydrophobicContact CB-CB 3.99Å; N261-R386 VanDerWaalsContact CG-CB 3.47Å; N261-R386 VanDerWaalsContact OD1-CB 3.28Å; N261-R386 WeakPolarHBondContact OD1-CB 3.35Å; V263-R386 HydrophobicContact CB-CG 4.2Å; V263-R386 VanDerWaalsContact CG2-O 3.26Å; V263-R386 WeakPolarHBondContact CG2-O 3.26Å; D264-R386 IonicContact OD1-NE 3.73Å; D264-R386 IonicContact OD2-CZ 2.74Å; D264-R386 IonicContact OD2-NE 3.43Å; D264-R386 PolarHBondContact OD2-NE 3.44Å; D264-R386 IonicContact OD2-NH1 2.88Å; D264-R386 IonicContact OD2-NH2 3.59Å; D264-R386 PolarHBondContact OD2-NH2 2.84Å; E266-R386 IonicContact OE2-CZ 3.58Å; E266-R386 IonicContact OE2-NE 3.9Å; E266-R386 PolarHBondContact OE2-NE 3.26Å; E266-R386 IonicContact OE2-NH2 2.67Å; E266-R386 PolarHBondContact OE2-NH2 2.58Å; R386-W392 HydrophobicContact CB-CE3 4.3Å; R386-W392 HydrophobicContact CB-CH2 4.36Å; R386-W392 HydrophobicContact CB-CZ3 4.16Å
387T91.8Very high94.6Very high5 Ų535 Ų353%0.03117%0.168CC..  trans-78.4176.7172.374.10000110.4F385 R390 G391F385-T387 HydrophobicContact CE2-CG2 3.88Å; F385-T387 HydrophobicContact CZ-CG2 3.92Å; F385-T387 PolarHBondContact O-N 3.31Å; T387-R390 VanDerWaalsContact OG1-C 3.22Å; T387-R390 VanDerWaalsContact OG1-CA 3.31Å; T387-R390 WeakPolarHBondContact OG1-CA 3.48Å; T387-R390 WeakPolarHBondContact OG1-CB 3.44Å; T387-R390 PolarHBondContact OG1-N 3.2Å; T387-G391 WeakPolarHBondContact CB-O 3.22Å; T387-G391 WeakPolarHBondContact CG2-O 3.47Å; T387-G391 PolarHBondContact N-O 2.99Å; T387-G391 PolarHBondContact OG1-N 3.46Å; T387-G391 PolarHBondContact OG1-O 3.19Å
388R88.8Confident94.8Very high211 Ų21136.1 Ų36.180%0.79617%0.168SC*.SBendtrans-77-38.6177.7-67.9-176.9-177.7172.52113.2
389D85Confident95Very high61 Ų6139.5 Ų39.533%0.32619%0.192SC..SBendtrans-144.93.4-165.161-21.8000114.3L574 R576D389-L574 WeakPolarHBondContact O-CD1 3.34Å; D389-R576 IonicContact OD1-NH2 3.6Å; D389-R576 IonicContact OD2-CZ 2.78Å; D389-R576 IonicContact OD2-NE 3.65Å; D389-R576 IonicContact OD2-NH2 3.28Å; D389-R576 PolarHBondContact OD2-NH2 3.13Å
390R86.8Confident95.2Very high64 Ų6434.8 Ų34.824%0.24217%0.171CC..SBendtrans-123.320.9-176.3-67.2178-72.9135.56.9112.8T387 N460 E497 L574T387-R390 VanDerWaalsContact OG1-C 3.22Å; T387-R390 VanDerWaalsContact OG1-CA 3.31Å; T387-R390 WeakPolarHBondContact OG1-CA 3.48Å; T387-R390 WeakPolarHBondContact OG1-CB 3.44Å; T387-R390 PolarHBondContact OG1-N 3.2Å; R390-N460 PolarHBondContact O-OD1 3.28Å; R390-E497 IonicContact CZ-OE1 2.85Å; R390-E497 IonicContact CZ-OE2 2.83Å; R390-E497 IonicContact NH1-OE1 3.9Å; R390-E497 PolarHBondContact NH1-OE1 3.48Å; R390-E497 IonicContact NH1-OE2 3.29Å; R390-E497 PolarHBondContact NH1-OE2 2.94Å; R390-E497 IonicContact NH2-OE1 3.18Å; R390-E497 PolarHBondContact NH2-OE1 2.99Å; R390-E497 IonicContact NH2-OE2 3.65Å; R390-E497 PolarHBondContact NH2-OE2 2.89Å; R390-L574 HydrophobicContact CG-CB 3.77Å; R390-L574 HydrophobicContact CG-CD1 4.19Å
391G89.5Confident95.3Very high26 Ų2636.7 Ų36.727%0.26819%0.185SC..SBendtrans69-140.4-176.100000112.6T387T387-G391 WeakPolarHBondContact CB-O 3.22Å; T387-G391 WeakPolarHBondContact CG2-O 3.47Å; T387-G391 PolarHBondContact N-O 2.99Å; T387-G391 PolarHBondContact OG1-N 3.46Å; T387-G391 PolarHBondContact OG1-O 3.19Å
392W93.2Very high95.3Very high26 Ų2642.1 Ų42.110%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-80.4144.5176.6-67.293.3000110.9L240 V259 E260 N261 P268 V384 R386 F458 N460L240-W392 HydrophobicContact CD2-CH2 3.65Å; L240-W392 HydrophobicContact CD2-CZ3 4.34Å; V259-W392 HydrophobicContact CG1-CH2 4.4Å; V259-W392 HydrophobicContact CG1-CZ3 3.99Å; E260-W392 WeakPolarHBondContact O-CZ3 3.23Å; N261-W392 HydrophobicContact CB-CH2 4.05Å; P268-W392 VanDerWaalsContact CA-CZ2 3.48Å; P268-W392 HydrophobicContact CB-CH2 4.22Å; P268-W392 HydrophobicContact CB-CZ2 3.96Å; V384-W392 HydrophobicContact CG1-CB 4.4Å; V384-W392 HydrophobicContact CG1-CD2 4.35Å; V384-W392 HydrophobicContact CG1-CE3 3.67Å; V384-W392 HydrophobicContact CG1-CZ3 4.34Å; R386-W392 HydrophobicContact CB-CE3 4.3Å; R386-W392 HydrophobicContact CB-CH2 4.36Å; R386-W392 HydrophobicContact CB-CZ3 4.16Å; W392-F458 HydrophobicContact CB-CD1 3.78Å; W392-F458 HydrophobicContact CG-CD1 4.46Å; W392-N460 PolarHBondContact O-ND2 3.01Å; W392-N460 VanDerWaalsContact O-ND2 3.15Å; W392-N460 PolarHBondContact O-OD1 2.85Å
393G96Very high95.2Very high0 Ų042.4 Ų42.40%021%0.209CC..EExtended strand (participates in β ladder)trans-133.6170.8178.200000110.8V384 F385 F458 N460V384-G393 CarbonylContact C-O 3.54Å; V384-G393 WeakPolarHBondContact CA-O 3.44Å; F385-G393 WeakPolarHBondContact CD1-O 3.43Å; F385-G393 PolarHBondContact N-O 3.29Å; F385-G393 PolarHBondContact O-N 3.07Å; G393-F458 CarbonylContact C-O 3.5Å; G393-F458 VanDerWaalsContact CA-O 3.24Å; G393-F458 WeakPolarHBondContact CA-O 3.39Å; G393-N460 WeakPolarHBondContact CA-ND2 3.37Å
394V98.6Very high95.2Very high0 Ų044.2 Ų44.20%022%0.22CC..EExtended strand (participates in β ladder)trans-117.6136.9173.7-178.70000109.4L382 C383 I455 F458 I459 E497 L498L382-V394 HydrophobicContact CB-CG1 4.03Å; L382-V394 HydrophobicContact CD1-CG1 4.06Å; L382-V394 HydrophobicContact CD2-CG1 4.29Å; L382-V394 HydrophobicContact CG-CG1 4.35Å; C383-V394 CarbonylContact O-C 3.48Å; C383-V394 WeakPolarHBondContact O-CA 3.31Å; V394-I455 HydrophobicContact CG1-CD1 3.88Å; V394-I455 HydrophobicContact CG2-CD1 4.15Å; V394-I455 HydrophobicContact CG2-CG1 3.95Å; V394-F458 HydrophobicContact CG2-CB 3.62Å; V394-F458 PolarHBondContact N-O 3.03Å; V394-I459 HydrophobicContact CB-CG1 3.96Å; V394-I459 HydrophobicContact CG2-CG1 3.74Å; V394-E497 CarbonylContact O-C 3.59Å; V394-E497 WeakPolarHBondContact O-CA 3.26Å; V394-E497 WeakPolarHBondContact O-CG 3.46Å; V394-L498 HydrophobicContact CG1-CD1 4.1Å; V394-L498 PolarHBondContact O-N 3.42Å
395K98.5Very high95.2Very high33 Ų3345 Ų4514%0.14322%0.223CC..EExtended strand (participates in β ladder)trans-127.6154.7170.365.8-176.4-177.2-179.30110.8E260 C383 F385 E496E260-K395 IonicContact OE1-NZ 2.68Å; E260-K395 PolarHBondContact OE1-NZ 3.38Å; E260-K395 WeakPolarHBondContact OE2-CE 3.49Å; E260-K395 IonicContact OE2-NZ 3.33Å; E260-K395 PolarHBondContact OE2-NZ 2.88Å; C383-K395 HydrophobicContact CB-CD 4.49Å; C383-K395 HydrophobicContact CB-CG 3.83Å; C383-K395 PolarHBondContact N-O 3.06Å; C383-K395 PolarHBondContact O-N 2.86Å; F385-K395 HydrophobicContact CD1-CB 3.97Å; F385-K395 HydrophobicContact CD1-CD 3.92Å; F385-K395 HydrophobicContact CD1-CG 3.78Å; F385-K395 HydrophobicContact CE1-CB 3.82Å; F385-K395 HydrophobicContact CE1-CD 4.32Å; F385-K395 HydrophobicContact CE1-CG 4.15Å; F385-K395 HydrophobicContact CG-CD 4.14Å; F385-K395 HydrophobicContact CG-CG 4.45Å; K395-E496 VanDerWaalsContact CA-O 3.27Å; K395-E496 WeakPolarHBondContact CA-O 3.47Å; K395-E496 VanDerWaalsContact CB-O 3.31Å; K395-E496 WeakPolarHBondContact CB-O 3.5Å
396T98.5Very high95.3Very high0 Ų043.5 Ų43.50%022%0.216CC..EExtended strand (participates in β ladder)trans-82.2142.5175.3-178.10000112.1V398 I400 I492 R493 G495 E496T396-V398 WeakPolarHBondContact CG2-O 3.38Å; T396-V398 PolarHBondContact OG1-N 2.88Å; T396-V398 PolarHBondContact OG1-O 3.16Å; T396-I400 HydrophobicContact CG2-CD1 4.1Å; T396-I400 HydrophobicContact CG2-CG1 4.31Å; T396-I400 WeakPolarHBondContact OG1-CD1 3.43Å; T396-I492 HydrophobicContact CG2-CG2 3.87Å; T396-R493 WeakPolarHBondContact CG2-O 3.3Å; T396-G495 WeakPolarHBondContact O-CA 3.09Å; T396-G495 PolarHBondContact O-N 2.92Å; T396-E496 PolarHBondContact N-O 3.31Å; T396-E496 VanDerWaalsContact N-O 3.13Å
397M98Very high95.4Very high63 Ų6342 Ų4231%0.3121%0.211SC..SBendtrans-92.7-4.6175.6-61.4-55.8-75.500113.3P381 C383 K494P381-M397 HydrophobicContact CB-CB 4.26Å; P381-M397 HydrophobicContact CG-CB 4.27Å; P381-M397 PolarHBondContact O-N 2.76Å; C383-M397 HydrophobicContact CB-CG 3.99Å; C383-M397 HydrophobicContact CB-SD 3.51Å; C383-M397 VanDerWaalsContact CB-SD 3.51Å; M397-K494 WeakPolarHBondContact O-CD 3.43Å; M397-K494 VanDerWaalsContact O-CE 3.27Å; M397-K494 WeakPolarHBondContact O-CE 3.13Å; M397-K494 WeakPolarHBondContact O-CG 3.42Å
398V97.5Very high95.6Very high55 Ų5542.3 Ų42.333%0.33321%0.212SC..SBendtrans-137.5158.8179.1-64.70000110.9V380 P381 T396V380-V398 HydrophobicContact CG1-CG2 4.06Å; P381-V398 HydrophobicContact CG-CB 4.45Å; P381-V398 HydrophobicContact CG-CG1 3.7Å; P381-V398 HydrophobicContact CG-CG2 3.95Å; T396-V398 WeakPolarHBondContact CG2-O 3.38Å; T396-V398 PolarHBondContact OG1-N 2.88Å; T396-V398 PolarHBondContact OG1-O 3.16Å
399P98.2Very high95.9Very high82 Ų8232.8 Ų32.853%0.53218%0.176SC..  trans-62139.3168.1-18.232.1000111.1F491 I492 K494P399-F491 HydrophobicContact CB-CE2 3.97Å; P399-F491 HydrophobicContact CB-CZ 3.84Å; P399-I492 WeakPolarHBondContact CA-O 3.37Å; P399-K494 HydrophobicContact CG-CB 4.36Å
400I98.3Very high96.4Very high4 Ų430 Ų302%0.02116%0.161CC..BIsolated β-bridgetrans-119.2128.4178.2-49.6173.8000109.3V380 T396 T404 V406 A488 F491 I492 L498V380-I400 HydrophobicContact CG1-CD1 3.68Å; V380-I400 HydrophobicContact CG1-CG1 4.01Å; V380-I400 HydrophobicContact CG2-CD1 4.5Å; T396-I400 HydrophobicContact CG2-CD1 4.1Å; T396-I400 HydrophobicContact CG2-CG1 4.31Å; T396-I400 WeakPolarHBondContact OG1-CD1 3.43Å; I400-T404 HydrophobicContact CG2-CG2 3.96Å; I400-V406 HydrophobicContact CD1-CG2 4.27Å; I400-V406 HydrophobicContact CG2-CG2 4.43Å; I400-A488 HydrophobicContact CG2-CB 3.75Å; I400-F491 CarbonylContact O-C 3.55Å; I400-F491 WeakPolarHBondContact O-CA 3.49Å; I400-F491 VanDerWaalsContact O-CD2 3.28Å; I400-F491 WeakPolarHBondContact O-CD2 3.33Å; I400-I492 HydrophobicContact CB-CB 4.09Å; I400-I492 HydrophobicContact CB-CG1 4.44Å; I400-I492 HydrophobicContact CD1-CD1 4.32Å; I400-I492 PolarHBondContact N-O 3.42Å; I400-I492 PolarHBondContact O-N 3.05Å; I400-L498 HydrophobicContact CD1-CD2 4.29Å
401S98Very high96.8Very high49 Ų4927 Ų2734%0.34315%0.15SC..  trans-79.4148.9174.8-68.30000111.6G403 T404S401-G403 PolarHBondContact O-N 2.83Å; S401-T404 VanDerWaalsContact O-CB 3.27Å; S401-T404 WeakPolarHBondContact O-CB 3.12Å; S401-T404 PolarHBondContact O-N 3.49Å; S401-T404 PolarHBondContact O-OG1 3.28Å
402K97.4Very high97.1Very high143 Ų14327.4 Ų27.462%0.62215%0.145SC*.THydrogen-bonded Turntrans-49139.5172.7179.2174.8179.2-1780111.6T404 S489K402-T404 VanDerWaalsContact C-N 3.25Å; K402-T404 PolarHBondContact O-N 3.43Å; K402-S489 WeakPolarHBondContact CD-O 3.38Å; K402-S489 WeakPolarHBondContact CE-O 3.31Å; K402-S489 WeakPolarHBondContact CG-O 3.23Å
403G96.6Very high97.2Very high6 Ų626.2 Ų26.26%0.06214%0.14CC..THydrogen-bonded Turntrans78.9-3.6179.400000114.8R347 L348 S401 Y405 A488R347-G403 CarbonylContact C-O 3.28Å; R347-G403 WeakPolarHBondContact CA-O 3.44Å; L348-G403 PolarHBondContact N-O 3.33Å; S401-G403 PolarHBondContact O-N 2.83Å; G403-Y405 PolarHBondContact O-N 3.33Å; G403-A488 PolarHBondContact N-O 2.76Å
404T98.4Very high97Very high37 Ų3726.3 Ų26.323%0.22714%0.141CC..  trans-67.3131.9176.9-530000110.2V380 I400 S401 K402 V406 Y487 A488V380-T404 HydrophobicContact CG2-CG2 4.39Å; I400-T404 HydrophobicContact CG2-CG2 3.96Å; S401-T404 VanDerWaalsContact O-CB 3.27Å; S401-T404 WeakPolarHBondContact O-CB 3.12Å; S401-T404 PolarHBondContact O-N 3.49Å; S401-T404 PolarHBondContact O-OG1 3.28Å; K402-T404 VanDerWaalsContact C-N 3.25Å; K402-T404 PolarHBondContact O-N 3.43Å; T404-V406 PolarHBondContact O-N 3.11Å; T404-Y487 CarbonylContact O-C 3.56Å; T404-Y487 WeakPolarHBondContact O-CA 3.13Å; T404-A488 PolarHBondContact O-N 3.23Å
405Y98.3Very high96.5Very high17 Ų1728.3 Ų28.37%0.06715%0.151CC..EExtended strand (participates in β ladder)trans-64.4128.5168.8170.5-121.8000110.3V373 V374 G403 V407 E408 A485 Y487V373-Y405 HydrophobicContact CG1-CD1 4.26Å; V373-Y405 HydrophobicContact CG1-CG 4.19Å; V374-Y405 HydrophobicContact CB-CE2 4.42Å; V374-Y405 HydrophobicContact CG1-CE2 4.13Å; V374-Y405 HydrophobicContact CG2-CD2 3.94Å; V374-Y405 HydrophobicContact CG2-CE2 3.96Å; V374-Y405 HydrophobicContact CG2-CG 4.31Å; G403-Y405 PolarHBondContact O-N 3.33Å; Y405-V407 VanDerWaalsContact CE2-C 3.4Å; Y405-V407 WeakPolarHBondContact CE2-O 3.31Å; Y405-E408 WeakPolarHBondContact OH-CB 3.4Å; Y405-E408 PolarHBondContact OH-N 3.14Å; Y405-A485 HydrophobicContact CD2-CB 4.23Å; Y405-A485 HydrophobicContact CE2-CB 3.95Å; Y405-Y487 HydrophobicContact CD2-CE1 4.19Å; Y405-Y487 HydrophobicContact CG-CE1 4.36Å
406V98.3Very high95.9Very high0 Ų031.2 Ų31.20%016%0.164CC..EExtended strand (participates in β ladder)trans-107.7-56.1-176.2-1780000111R378 L382 I400 T404 L467 L486 A488 L498R378-V406 WeakPolarHBondContact CD-O 3.42Å; R378-V406 VanDerWaalsContact CG-O 3.23Å; R378-V406 WeakPolarHBondContact CG-O 3.12Å; L382-V406 HydrophobicContact CD1-CG1 4.4Å; I400-V406 HydrophobicContact CD1-CG2 4.27Å; I400-V406 HydrophobicContact CG2-CG2 4.43Å; T404-V406 PolarHBondContact O-N 3.11Å; V406-L467 HydrophobicContact CB-CD2 4.19Å; V406-L467 HydrophobicContact CG1-CD2 4.44Å; V406-L467 HydrophobicContact CG2-CD2 3.74Å; V406-L486 PolarHBondContact N-O 2.97Å; V406-A488 HydrophobicContact CG2-CB 4.45Å; V406-L498 HydrophobicContact CG1-CD1 3.8Å
407V97.6Very high95.3Very high1 Ų134.7 Ų34.71%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-163.4159.8-177.372.60000110.4Y405 I455 I459 L486Y405-V407 VanDerWaalsContact CE2-C 3.4Å; Y405-V407 WeakPolarHBondContact CE2-O 3.31Å; V407-I455 HydrophobicContact CG2-CG2 3.85Å; V407-I459 HydrophobicContact CG1-CD1 3.68Å; V407-L486 HydrophobicContact CG1-CB 4.33Å; V407-L486 HydrophobicContact CG1-CD1 4.03Å; V407-L486 PolarHBondContact N-O 3.35Å; V407-L486 WeakPolarHBondContact O-CB 3.21Å; V407-L486 WeakPolarHBondContact O-CD1 3.39Å; V407-L486 PolarHBondContact O-N 3.28Å
408E96Very high94.8Very high11 Ų1134.2 Ų34.25%0.05118%0.18CC..EExtended strand (participates in β ladder)trans-99.2143169.6-171.1174.5-168.900111Y278 Y405 L410 N454 S456 R483 I484Y278-E408 VanDerWaalsContact CE2-OE1 3.23Å; Y278-E408 WeakPolarHBondContact CE2-OE1 3.47Å; Y405-E408 WeakPolarHBondContact OH-CB 3.4Å; Y405-E408 PolarHBondContact OH-N 3.14Å; E408-L410 HydrophobicContact CB-CD2 4.25Å; E408-L410 HydrophobicContact CB-CG 4.34Å; E408-L410 VanDerWaalsContact CD-CD2 3.5Å; E408-L410 HydrophobicContact CG-CD2 3.73Å; E408-L410 HydrophobicContact CG-CG 4.29Å; E408-L410 PolarHBondContact O-N 2.89Å; E408-N454 PolarHBondContact O-ND2 3.25Å; E408-N454 PolarHBondContact O-OD1 2.89Å; E408-S456 WeakPolarHBondContact O-CB 3.24Å; E408-S456 PolarHBondContact O-OG 3.07Å; E408-R483 VanDerWaalsContact OE1-CB 3.24Å; E408-R483 WeakPolarHBondContact OE1-CB 3.25Å; E408-R483 IonicContact OE1-CZ 3.19Å; E408-R483 IonicContact OE1-NE 3.22Å; E408-R483 PolarHBondContact OE1-NE 3.4Å; E408-R483 IonicContact OE1-NH2 3.86Å; E408-R483 PolarHBondContact OE1-NH2 3.11Å; E408-R483 IonicContact OE2-CZ 2.72Å; E408-R483 IonicContact OE2-NE 3.5Å; E408-R483 PolarHBondContact OE2-NE 3.26Å; E408-R483 IonicContact OE2-NH2 3.7Å; E408-R483 PolarHBondContact OE2-NH2 3.41Å; E408-I484 CarbonylContact C-O 3.41Å; E408-I484 WeakPolarHBondContact CA-O 3.37Å; E408-I484 VanDerWaalsContact CG-O 3.25Å; E408-I484 WeakPolarHBondContact CG-O 3.3Å
409Y96.1Very high94.4Very high10 Ų1032 Ų324%0.03917%0.168CC..  trans-79.399.7172.5-165.3-91.8000110.1Y278 Y433 F435 V447 A449 S456 I484 F500Y278-Y409 WeakPolarHBondContact CE1-O 3.34Å; Y278-Y409 VanDerWaalsContact CZ-O 3.3Å; Y278-Y409 PolarHBondContact OH-O 3.13Å; Y409-Y433 PolarHBondContact OH-O 3.39Å; Y409-F435 HydrophobicContact CD1-CB 3.98Å; Y409-F435 AromaticContact CD1-CD2 3.9Å; Y409-F435 HydrophobicContact CD1-CD2 3.9Å; Y409-F435 HydrophobicContact CD1-CG 4.11Å; Y409-F435 HydrophobicContact CD2-CD2 4.46Å; Y409-F435 HydrophobicContact CE1-CB 3.61Å; Y409-F435 AromaticContact CE1-CD2 3.97Å; Y409-F435 HydrophobicContact CE1-CD2 3.97Å; Y409-F435 HydrophobicContact CE1-CG 4.14Å; Y409-F435 HydrophobicContact CG-CD2 4.15Å; Y409-V447 HydrophobicContact CD1-CB 4.2Å; Y409-V447 HydrophobicContact CD1-CG1 3.95Å; Y409-V447 HydrophobicContact CE1-CB 4.25Å; Y409-V447 HydrophobicContact CE1-CG1 4.07Å; Y409-A449 HydrophobicContact CE1-CB 3.85Å; Y409-A449 WeakPolarHBondContact OH-CB 3.47Å; Y409-S456 WeakPolarHBondContact CA-OG 3.18Å; Y409-I484 PolarHBondContact N-O 2.89Å; Y409-F500 HydrophobicContact CD2-CZ 4.38Å; Y409-F500 HydrophobicContact CE2-CZ 4.23Å
410L95.6Very high93.8Very high4 Ų432.5 Ų32.52%0.02116%0.163CC..  trans-104.8145.4-177-63.3-175.2000112I275 Y278 E408 G453 N454 S456I275-L410 HydrophobicContact CD1-CB 4.36Å; I275-L410 HydrophobicContact CG1-CB 4.34Å; Y278-L410 HydrophobicContact CD1-CD2 3.91Å; Y278-L410 HydrophobicContact CD2-CD2 4.16Å; Y278-L410 HydrophobicContact CE1-CD2 3.84Å; Y278-L410 HydrophobicContact CE2-CD2 4.08Å; Y278-L410 HydrophobicContact CG-CD2 4.06Å; E408-L410 HydrophobicContact CB-CD2 4.25Å; E408-L410 HydrophobicContact CB-CG 4.34Å; E408-L410 VanDerWaalsContact CD-CD2 3.5Å; E408-L410 HydrophobicContact CG-CD2 3.73Å; E408-L410 HydrophobicContact CG-CG 4.29Å; E408-L410 PolarHBondContact O-N 2.89Å; L410-G453 VanDerWaalsContact O-CA 3.27Å; L410-G453 WeakPolarHBondContact O-CA 3.45Å; L410-N454 HydrophobicContact CB-CB 4.01Å; L410-N454 HydrophobicContact CD1-CB 4Å; L410-N454 VanDerWaalsContact CD1-ND2 3.32Å; L410-N454 WeakPolarHBondContact CD1-ND2 3.34Å; L410-N454 HydrophobicContact CG-CB 4.32Å; L410-N454 VanDerWaalsContact CG-ND2 3.34Å; L410-N454 WeakPolarHBondContact CG-ND2 3.29Å; L410-S456 PolarHBondContact N-OG 3.37Å
411G95.2Very high93.2Very high0 Ų038.1 Ų38.10%019%0.187CC..  trans-171.9-165.1174.900000111.1L279 D448 M452L279-G411 PolarHBondContact N-O 3.38Å; L279-G411 VanDerWaalsContact N-O 3.16Å; G411-D448 CarbonylContact C-O 3.6Å; G411-D448 VanDerWaalsContact CA-O 3.27Å; G411-D448 WeakPolarHBondContact CA-O 3.36Å; G411-M452 WeakPolarHBondContact CA-O 3.48Å
412E95Very high92.6Very high34 Ų3437.6 Ų37.616%0.15918%0.177CC..EExtended strand (participates in β ladder)trans-77.1131.2168.6-169.8-176.1-179.400109.7L279 L414 R422 V447 D448 M452L279-E412 CarbonylContact O-C 3.52Å; L279-E412 VanDerWaalsContact O-CA 3.3Å; L279-E412 WeakPolarHBondContact O-CA 3.38Å; E412-L414 HydrophobicContact CB-CD2 4.31Å; E412-L414 HydrophobicContact CG-CD2 3.77Å; E412-R422 IonicContact OE1-NH2 3.58Å; E412-R422 PolarHBondContact OE1-NH2 3.31Å; E412-R422 IonicContact OE2-CZ 3.16Å; E412-R422 VanDerWaalsContact OE2-CZ 3.28Å; E412-R422 IonicContact OE2-NH1 3.55Å; E412-R422 PolarHBondContact OE2-NH1 2.84Å; E412-R422 IonicContact OE2-NH2 2.97Å; E412-R422 PolarHBondContact OE2-NH2 3.38Å; E412-V447 CarbonylContact O-C 3.5Å; E412-V447 WeakPolarHBondContact O-CA 3.35Å; E412-D448 PolarHBondContact N-O 3.19Å; E412-D448 PolarHBondContact O-N 3.47Å; E412-M452 HydrophobicContact CB-CE 4.43Å
413I94.8Very high91.6Very high1 Ų131.3 Ų31.31%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-83.8116.5172.1-55.3-57.1000108.5Y278 L279 G281 V284 L437 Y445 V447 L481Y278-I413 HydrophobicContact CD1-CD1 3.33Å; Y278-I413 HydrophobicContact CD1-CG1 3.98Å; Y278-I413 HydrophobicContact CD2-CD1 4.42Å; Y278-I413 HydrophobicContact CE1-CD1 3.7Å; Y278-I413 HydrophobicContact CG-CD1 3.75Å; Y278-I413 HydrophobicContact CG-CG1 4.02Å; L279-I413 PolarHBondContact O-N 3.3Å; G281-I413 VanDerWaalsContact CA-O 3.24Å; G281-I413 WeakPolarHBondContact CA-O 3.3Å; G281-I413 PolarHBondContact N-O 3.05Å; V284-I413 HydrophobicContact CG1-CB 4.05Å; V284-I413 HydrophobicContact CG1-CG2 3.62Å; V284-I413 HydrophobicContact CG2-CG2 4.33Å; V284-I413 WeakPolarHBondContact CG2-O 3.24Å; I413-L437 HydrophobicContact CD1-CD1 4.47Å; I413-Y445 HydrophobicContact CG2-CD1 3.91Å; I413-Y445 HydrophobicContact CG2-CG 4.28Å; I413-V447 HydrophobicContact CD1-CB 4.38Å; I413-V447 HydrophobicContact CD1-CG1 4.42Å; I413-V447 HydrophobicContact CD1-CG2 3.69Å; I413-L481 HydrophobicContact CG2-CD1 3.62Å
414L91.6Very high90.8Very high2 Ų235.5 Ų35.51%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-99.4145.7176.6-52.4-176.6000109.9E412 E418 A419 R422 L434 Y445 T446 D448E412-L414 HydrophobicContact CB-CD2 4.31Å; E412-L414 HydrophobicContact CG-CD2 3.77Å; L414-E418 HydrophobicContact CB-CB 4.48Å; L414-E418 HydrophobicContact CD1-CG 4.35Å; L414-E418 HydrophobicContact CD2-CG 3.97Å; L414-A419 HydrophobicContact CB-CB 4.15Å; L414-A419 HydrophobicContact CD1-CB 4.46Å; L414-R422 HydrophobicContact CD1-CG 4.43Å; L414-L434 HydrophobicContact CD1-CD2 4.21Å; L414-Y445 WeakPolarHBondContact O-CA 3.36Å; L414-T446 PolarHBondContact N-O 3.02Å; L414-T446 PolarHBondContact O-N 3.01Å; L414-D448 HydrophobicContact CD1-CB 3.65Å; L414-D448 HydrophobicContact CG-CB 4.06Å
415N89.2Confident89.8Confident42 Ų4237.7 Ų37.723%0.22518%0.183CC..EExtended strand (participates in β ladder)trans-74.8166.4161.164.345.7000109.7Q282 V284 D417 E418 A419Q282-N415 PolarHBondContact O-ND2 2.77Å; Q282-N415 VanDerWaalsContact O-ND2 3.1Å; V284-N415 HydrophobicContact CG2-CB 4.42Å; N415-D417 VanDerWaalsContact C-N 3.34Å; N415-D417 PolarHBondContact O-N 2.93Å; N415-D417 PolarHBondContact OD1-N 3.44Å; N415-E418 PolarHBondContact O-N 2.9Å; N415-E418 PolarHBondContact OD1-N 2.94Å; N415-A419 WeakPolarHBondContact O-CB 3.5Å; N415-A419 PolarHBondContact O-N 2.84Å
416F85Confident88.9Confident95 Ų9537.8 Ų37.842%0.41718%0.183SC..Hα-helixtrans-49.6-48.7179.8-178.7-89.9000114E418 A419 E420 H444F416-E418 PolarHBondContact O-N 3.2Å; F416-A419 PolarHBondContact O-N 3.3Å; F416-E420 PolarHBondContact O-N 3.43Å; F416-H444 PolarHBondContact N-O 3.42Å
417D86.5Confident87.8Confident73 Ų7343.8 Ų43.839%0.3922%0.215SC..Hα-helixtrans-64.2-42.7-174.4-64.5-23.9000111.8N415 K421N415-D417 VanDerWaalsContact C-N 3.34Å; N415-D417 PolarHBondContact O-N 2.93Å; N415-D417 PolarHBondContact OD1-N 3.44Å; D417-K421 WeakPolarHBondContact O-CB 3.42Å; D417-K421 PolarHBondContact O-N 3.24Å
418E87.5Confident86.4Confident53 Ų5352 Ų5225%0.24825%0.251CS..Hα-helixtrans-73.5-34.2177.7-177.262.1-164.300111.6L414 N415 F416 K421 R422L414-E418 HydrophobicContact CB-CB 4.48Å; L414-E418 HydrophobicContact CD1-CG 4.35Å; L414-E418 HydrophobicContact CD2-CG 3.97Å; N415-E418 PolarHBondContact O-N 2.9Å; N415-E418 PolarHBondContact OD1-N 2.94Å; F416-E418 PolarHBondContact O-N 3.2Å; E418-K421 PolarHBondContact O-N 3.5Å; E418-K421 IonicContact OE2-NZ 3.45Å; E418-K421 PolarHBondContact OE2-NZ 3.08Å; E418-R422 WeakPolarHBondContact O-CG 3.29Å; E418-R422 PolarHBondContact O-N 2.95Å; E418-R422 IonicContact OE1-CZ 3.91Å; E418-R422 IonicContact OE1-NE 3.26Å; E418-R422 PolarHBondContact OE1-NE 3.1Å; E418-R422 IonicContact OE1-NH2 3.93Å; E418-R422 PolarHBondContact OE1-NH2 2.88Å
419A88.3Confident85.2Confident9 Ų956.9 Ų56.97%0.07427%0.274CS..Hα-helixtrans-63.2-4617400000111.8L414 N415 F416 K421 R422 G423 T446L414-A419 HydrophobicContact CB-CB 4.15Å; L414-A419 HydrophobicContact CD1-CB 4.46Å; N415-A419 WeakPolarHBondContact O-CB 3.5Å; N415-A419 PolarHBondContact O-N 2.84Å; F416-A419 PolarHBondContact O-N 3.3Å; A419-K421 PolarHBondContact O-N 2.79Å; A419-R422 PolarHBondContact O-N 3.44Å; A419-G423 PolarHBondContact O-N 3.35Å; A419-T446 HydrophobicContact CB-CG2 4.2Å; A419-T446 WeakPolarHBondContact CB-OG1 3.12Å
420E85.4Confident84.1Confident92 Ų9260.6 Ų60.643%0.4330%0.298SS..Hα-helixtrans-59.7-46.6176.5-174.9179.8-145.900110.9F416 R422 G423 I424F416-E420 PolarHBondContact O-N 3.43Å; E420-R422 PolarHBondContact O-N 3.31Å; E420-G423 PolarHBondContact O-N 2.93Å; E420-I424 WeakPolarHBondContact O-CG1 2.81Å; E420-I424 PolarHBondContact O-N 3.24Å; E420-I424 VanDerWaalsContact O-N 3.1Å
421K86.5Confident83.1Confident121 Ų12163.7 Ų63.753%0.52631%0.313SS..Hα-helixtrans-59.4-44.5177.5179.5-173.9166.2-159.40112.6D417 E418 A419D417-K421 WeakPolarHBondContact O-CB 3.42Å; D417-K421 PolarHBondContact O-N 3.24Å; E418-K421 PolarHBondContact O-N 3.5Å; E418-K421 IonicContact OE2-NZ 3.45Å; E418-K421 PolarHBondContact OE2-NZ 3.08Å; A419-K421 PolarHBondContact O-N 2.79Å
422R84.3Confident82.3Confident38 Ų3865.8 Ų65.814%0.14333%0.326CS..Hα-helixtrans-71.3-36.3176.7-68.1-165.3-165.71808111.8E412 L414 E418 A419 E420 I424 I425 Y426 D448E412-R422 IonicContact OE1-NH2 3.58Å; E412-R422 PolarHBondContact OE1-NH2 3.31Å; E412-R422 IonicContact OE2-CZ 3.16Å; E412-R422 VanDerWaalsContact OE2-CZ 3.28Å; E412-R422 IonicContact OE2-NH1 3.55Å; E412-R422 PolarHBondContact OE2-NH1 2.84Å; E412-R422 IonicContact OE2-NH2 2.97Å; E412-R422 PolarHBondContact OE2-NH2 3.38Å; L414-R422 HydrophobicContact CD1-CG 4.43Å; E418-R422 WeakPolarHBondContact O-CG 3.29Å; E418-R422 PolarHBondContact O-N 2.95Å; E418-R422 IonicContact OE1-CZ 3.91Å; E418-R422 IonicContact OE1-NE 3.26Å; E418-R422 PolarHBondContact OE1-NE 3.1Å; E418-R422 IonicContact OE1-NH2 3.93Å; E418-R422 PolarHBondContact OE1-NH2 2.88Å; A419-R422 PolarHBondContact O-N 3.44Å; E420-R422 PolarHBondContact O-N 3.31Å; R422-I424 VanDerWaalsContact C-N 3.35Å; R422-I424 PolarHBondContact O-N 3.33Å; R422-I425 WeakPolarHBondContact O-CB 3.38Å; R422-I425 PolarHBondContact O-N 3.33Å; R422-Y426 HydrophobicContact CB-CD2 4.4Å; R422-Y426 HydrophobicContact CB-CE2 4.04Å; R422-Y426 WeakPolarHBondContact O-CB 3.44Å; R422-Y426 VanDerWaalsContact O-CG 3.31Å; R422-Y426 PolarHBondContact O-N 3.46Å; R422-D448 VanDerWaalsContact CD-OD2 3.23Å; R422-D448 WeakPolarHBondContact CD-OD2 3.33Å; R422-D448 IonicContact CZ-OD2 2.8Å; R422-D448 IonicContact NE-OD2 2.86Å; R422-D448 IonicContact NH1-OD2 2.66Å; R422-D448 PolarHBondContact NH1-OD2 3.16Å
423G78.1Confident81.9Confident12 Ų1266.7 Ų66.712%0.12433%0.328CS..Hα-helixtrans-54.8-47.4175.700000112.2A419 E420 I425 Y426 D427A419-G423 PolarHBondContact O-N 3.35Å; E420-G423 PolarHBondContact O-N 2.93Å; G423-I425 PolarHBondContact O-N 3.46Å; G423-Y426 PolarHBondContact O-N 2.73Å; G423-Y426 VanDerWaalsContact O-N 3.11Å; G423-D427 WeakPolarHBondContact O-CB 3.31Å; G423-D427 VanDerWaalsContact O-CG 3.25Å; G423-D427 PolarHBondContact O-N 3.08Å
424I78.3Confident81.5Confident93 Ų9369 Ų6948%0.47734%0.34SS..Hα-helixtrans-58.3-34.3177-64.3163000112.5E420 R422 K428E420-I424 WeakPolarHBondContact O-CG1 2.81Å; E420-I424 PolarHBondContact O-N 3.24Å; E420-I424 VanDerWaalsContact O-N 3.1Å; R422-I424 VanDerWaalsContact C-N 3.35Å; R422-I424 PolarHBondContact O-N 3.33Å; I424-K428 WeakPolarHBondContact O-CD 3.44Å; I424-K428 WeakPolarHBondContact O-CG 3.25Å
425I78.1Confident81.4Confident84 Ų8469.6 Ų69.643%0.43134%0.342SS..Hα-helixtrans-77.3-43.3178.4-60.3170000110R422 G423 K428 Q429R422-I425 WeakPolarHBondContact O-CB 3.38Å; R422-I425 PolarHBondContact O-N 3.33Å; G423-I425 PolarHBondContact O-N 3.46Å; I425-K428 WeakPolarHBondContact O-CB 3.43Å; I425-K428 PolarHBondContact O-N 3.15Å; I425-Q429 WeakPolarHBondContact O-CG 3.43Å; I425-Q429 PolarHBondContact O-N 3.38Å
426Y79.7Confident81.5Confident19 Ų1971.6 Ų71.68%0.07535%0.353CS..Hα-helixtrans-72.9-34.5-175.2-69.1-5.5000113.1R422 G423 K428 Q429 T430 M431 L434 D448 S450R422-Y426 HydrophobicContact CB-CD2 4.4Å; R422-Y426 HydrophobicContact CB-CE2 4.04Å; R422-Y426 WeakPolarHBondContact O-CB 3.44Å; R422-Y426 VanDerWaalsContact O-CG 3.31Å; R422-Y426 PolarHBondContact O-N 3.46Å; G423-Y426 PolarHBondContact O-N 2.73Å; G423-Y426 VanDerWaalsContact O-N 3.11Å; Y426-K428 VanDerWaalsContact C-N 3.28Å; Y426-K428 PolarHBondContact O-N 3.29Å; Y426-Q429 CarbonylContact O-C 3.54Å; Y426-Q429 WeakPolarHBondContact O-CA 3.44Å; Y426-Q429 PolarHBondContact O-N 2.93Å; Y426-T430 PolarHBondContact O-N 2.86Å; Y426-M431 HydrophobicContact CG-CB 4.18Å; Y426-M431 PolarHBondContact O-N 2.68Å; Y426-L434 HydrophobicContact CD2-CD1 3.95Å; Y426-L434 HydrophobicContact CD2-CD2 4.12Å; Y426-L434 HydrophobicContact CD2-CG 3.81Å; Y426-L434 HydrophobicContact CE2-CD2 3.94Å; Y426-L434 HydrophobicContact CE2-CG 4.16Å; Y426-D448 PolarHBondContact OH-OD2 3.03Å; Y426-S450 PolarHBondContact OH-OG 3.27Å
427D74.5Confident81.7Confident125 Ų12567.2 Ų67.267%0.66833%0.334SS*.Hα-helixtrans-59.6-41.2172.4-72.9-15.5000111.2G423 Q429 T430G423-D427 WeakPolarHBondContact O-CB 3.31Å; G423-D427 VanDerWaalsContact O-CG 3.25Å; G423-D427 PolarHBondContact O-N 3.08Å; D427-Q429 PolarHBondContact O-N 3.02Å; D427-T430 PolarHBondContact O-N 2.84Å
428K69.7Low81.6Confident173 Ų17367.3 Ų67.375%0.75234%0.335SS*.Hα-helixtrans-66.9-26.8175.4-66.7173.7-173.9175.10112.6I424 I425 Y426I424-K428 WeakPolarHBondContact O-CD 3.44Å; I424-K428 WeakPolarHBondContact O-CG 3.25Å; I425-K428 WeakPolarHBondContact O-CB 3.43Å; I425-K428 PolarHBondContact O-N 3.15Å; Y426-K428 VanDerWaalsContact C-N 3.28Å; Y426-K428 PolarHBondContact O-N 3.29Å
429Q70.3Confident81.2Confident114 Ų11467.8 Ų67.853%0.53334%0.336SS..Hα-helixtrans-970.7179.4-67-179.2-25.600113.2I425 Y426 D427 M431I425-Q429 WeakPolarHBondContact O-CG 3.43Å; I425-Q429 PolarHBondContact O-N 3.38Å; Y426-Q429 CarbonylContact O-C 3.54Å; Y426-Q429 WeakPolarHBondContact O-CA 3.44Å; Y426-Q429 PolarHBondContact O-N 2.93Å; D427-Q429 PolarHBondContact O-N 3.02Å; Q429-M431 VanDerWaalsContact C-N 3.29Å; Q429-M431 HydrophobicContact CB-CG 3.74Å; Q429-M431 PolarHBondContact O-N 3.27Å
430T73Confident80.5Confident88 Ų8872.5 Ų72.554%0.5436%0.356SS..THydrogen-bonded Turntrans55.340.9-175.658.20000113.4Y426 D427 M571Y426-T430 PolarHBondContact O-N 2.86Å; D427-T430 PolarHBondContact O-N 2.84Å; T430-M571 HydrophobicContact CG2-CG 4.4Å; T430-M571 HydrophobicContact CG2-SD 4.31Å; T430-M571 WeakPolarHBondContact O-CE 3.22Å
431M74.5Confident80Confident69 Ų6969.9 Ų69.934%0.3435%0.354SS..  trans-103.4128.3-177.6-66.9-74.5-84.200110.6Y426 Q429 Y433Y426-M431 HydrophobicContact CG-CB 4.18Å; Y426-M431 PolarHBondContact O-N 2.68Å; Q429-M431 VanDerWaalsContact C-N 3.29Å; Q429-M431 HydrophobicContact CB-CG 3.74Å; Q429-M431 PolarHBondContact O-N 3.27Å; M431-Y433 HydrophobicContact CB-CD2 4.15Å; M431-Y433 HydrophobicContact CE-CD2 3.53Å; M431-Y433 HydrophobicContact CE-CE2 3.31Å; M431-Y433 HydrophobicContact SD-CD2 4.12Å; M431-Y433 HydrophobicContact SD-CE2 3.68Å
432T78.3Confident79.5Confident44 Ų4467.8 Ų67.827%0.2735%0.349SS..  trans-115.446.2-174.965.30000112.3Y502 M571 V585T432-Y502 WeakPolarHBondContact OG1-CE2 3.45Å; T432-M571 HydrophobicContact CG2-SD 4.08Å; T432-V585 HydrophobicContact CG2-CG2 4.13Å
433Y85.2Confident79.4Confident54 Ų5466.9 Ų66.921%0.21235%0.35CS..  trans-101.22.6-174.7-65.5-74.5000114.5Y409 M431 A449 H457Y409-Y433 PolarHBondContact OH-O 3.39Å; M431-Y433 HydrophobicContact CB-CD2 4.15Å; M431-Y433 HydrophobicContact CE-CD2 3.53Å; M431-Y433 HydrophobicContact CE-CE2 3.31Å; M431-Y433 HydrophobicContact SD-CD2 4.12Å; M431-Y433 HydrophobicContact SD-CE2 3.68Å; Y433-A449 PolarHBondContact O-N 3.06Å; Y433-H457 AromaticContact CD1-CE1 3.72Å; Y433-H457 AromaticContact CD1-ND1 3.57Å; Y433-H457 AromaticContact CE1-CE1 3.12Å; Y433-H457 WeakPolarHBondContact CE1-CE1 3.38Å; Y433-H457 AromaticContact CE1-CG 3.9Å; Y433-H457 AromaticContact CE1-ND1 3.31Å; Y433-H457 VanDerWaalsContact CE1-ND1 3.31Å; Y433-H457 WeakPolarHBondContact CE1-ND1 3.44Å; Y433-H457 AromaticContact CE1-NE2 3.59Å; Y433-H457 AromaticContact CZ-CE1 3.41Å; Y433-H457 VanDerWaalsContact CZ-CE1 3.41Å; Y433-H457 AromaticContact CZ-NE2 3.74Å; Y433-H457 PolarHBondContact OH-NE2 3.2Å
434L87.5Confident79.6Confident48 Ų4868.5 Ų68.525%0.25135%0.354SS..EExtended strand (participates in β ladder)trans-88.2128.9171.4-63.2-179.8000109L414 Y426 T446 V447 D448L414-L434 HydrophobicContact CD1-CD2 4.21Å; Y426-L434 HydrophobicContact CD2-CD1 3.95Å; Y426-L434 HydrophobicContact CD2-CD2 4.12Å; Y426-L434 HydrophobicContact CD2-CG 3.81Å; Y426-L434 HydrophobicContact CE2-CD2 3.94Å; Y426-L434 HydrophobicContact CE2-CG 4.16Å; L434-T446 HydrophobicContact CB-CG2 3.74Å; L434-T446 HydrophobicContact CD2-CG2 4.04Å; L434-T446 HydrophobicContact CG-CG2 4.36Å; L434-V447 CarbonylContact C-O 3.59Å; L434-V447 WeakPolarHBondContact CA-O 3.49Å; L434-D448 HydrophobicContact CD2-CB 3.62Å
435F90.1Very high80.3Confident15 Ų1566.1 Ų66.17%0.06634%0.339CS..EExtended strand (participates in β ladder)trans-123.1107.3178.9-165.9-59.9000109.2Y409 L437 T446 V447 V469 I484 F500 M504Y409-F435 HydrophobicContact CD1-CB 3.98Å; Y409-F435 AromaticContact CD1-CD2 3.9Å; Y409-F435 HydrophobicContact CD1-CD2 3.9Å; Y409-F435 HydrophobicContact CD1-CG 4.11Å; Y409-F435 HydrophobicContact CD2-CD2 4.46Å; Y409-F435 HydrophobicContact CE1-CB 3.61Å; Y409-F435 AromaticContact CE1-CD2 3.97Å; Y409-F435 HydrophobicContact CE1-CD2 3.97Å; Y409-F435 HydrophobicContact CE1-CG 4.14Å; Y409-F435 HydrophobicContact CG-CD2 4.15Å; F435-L437 HydrophobicContact CD1-CD2 4.25Å; F435-T446 CarbonylContact O-C 3.54Å; F435-T446 VanDerWaalsContact O-CA 3.3Å; F435-T446 WeakPolarHBondContact O-CA 3.34Å; F435-V447 HydrophobicContact CB-CB 4.11Å; F435-V447 PolarHBondContact N-O 3.37Å; F435-V447 PolarHBondContact O-N 3.47Å; F435-V469 HydrophobicContact CZ-CG1 3.97Å; F435-I484 HydrophobicContact CD1-CG1 4.2Å; F435-I484 HydrophobicContact CE1-CD1 3.97Å; F435-I484 HydrophobicContact CE1-CG1 3.92Å; F435-I484 HydrophobicContact CE1-CG2 3.95Å; F435-I484 HydrophobicContact CE2-CG2 3.94Å; F435-I484 HydrophobicContact CZ-CG1 4.45Å; F435-I484 HydrophobicContact CZ-CG2 3.61Å; F435-F500 HydrophobicContact CE2-CE2 4.06Å; F435-M504 HydrophobicContact CD1-SD 4.41Å; F435-M504 HydrophobicContact CE1-CE 3.87Å; F435-M504 HydrophobicContact CE1-CG 4.37Å; F435-M504 HydrophobicContact CE1-SD 3.27Å; F435-M504 WeakPolarHBondContact CE1-SD 3.37Å; F435-M504 HydrophobicContact CE2-CG 4.4Å; F435-M504 HydrophobicContact CE2-SD 4.29Å; F435-M504 HydrophobicContact CZ-CE 3.73Å; F435-M504 HydrophobicContact CZ-CG 3.72Å; F435-M504 HydrophobicContact CZ-SD 3.18Å; F435-M504 WeakPolarHBondContact CZ-SD 3.32Å
436D90.8Very high81Confident84 Ų8462.3 Ų62.345%0.44932%0.32SS..EExtended strand (participates in β ladder)trans-72.8136.1-179-72.2-24.6000112D438 A443 T446D436-D438 PolarHBondContact O-N 3.08Å; D436-A443 HydrophobicContact CB-CB 3.62Å; D436-T446 VanDerWaalsContact OD1-CG2 3.3Å; D436-T446 WeakPolarHBondContact OD1-CG2 3.45Å; D436-T446 PolarHBondContact OD1-OG1 3.49Å
437L88.9Confident81.7Confident3 Ų361.4 Ų61.42%0.01632%0.316CS..  trans-97.777.8-179.6-58.1-176.6000110.2I413 F435 Y445 V447 L481 P482 I484I413-L437 HydrophobicContact CD1-CD1 4.47Å; F435-L437 HydrophobicContact CD1-CD2 4.25Å; L437-Y445 VanDerWaalsContact CB-O 3.24Å; L437-Y445 WeakPolarHBondContact CB-O 3.47Å; L437-Y445 WeakPolarHBondContact CG-O 3.25Å; L437-Y445 PolarHBondContact N-O 3.44Å; L437-V447 HydrophobicContact CD1-CG2 4.12Å; L437-V447 HydrophobicContact CD2-CG2 3.83Å; L437-V447 HydrophobicContact CG-CG2 4.17Å; L437-L481 HydrophobicContact CD1-CD1 3.78Å; L437-P482 HydrophobicContact CB-CG 4.34Å; L437-P482 HydrophobicContact CD2-CG 4.35Å; L437-I484 HydrophobicContact CD2-CD1 3.6Å; L437-I484 HydrophobicContact CD2-CG1 3.39Å
438D83.8Confident82.7Confident75 Ų7555.6 Ų55.640%0.40129%0.285SS..  trans-103.829.2-168.865.5-10.4000114.1D436 E440 G441 A443D436-D438 PolarHBondContact O-N 3.08Å; D438-E440 VanDerWaalsContact C-N 3.28Å; D438-E440 PolarHBondContact O-N 3.22Å; D438-G441 CarbonylContact C-O 3.6Å; D438-G441 WeakPolarHBondContact CA-O 3.46Å; D438-G441 WeakPolarHBondContact CB-O 3.35Å; D438-A443 HydrophobicContact CB-CB 4.22Å
439F80.2Confident83.8Confident64 Ų6447.4 Ų47.428%0.28125%0.249SC..THydrogen-bonded Turntrans-58.3-37.8-177.7176.1-103000113.5P355 C471 F473 T479 P482P355-F439 HydrophobicContact CB-CE1 4.43Å; P355-F439 HydrophobicContact CB-CE2 3.95Å; P355-F439 HydrophobicContact CB-CZ 3.58Å; P355-F439 HydrophobicContact CG-CE2 4.49Å; P355-F439 HydrophobicContact CG-CZ 3.9Å; F439-C471 HydrophobicContact CB-CB 4.39Å; F439-C471 HydrophobicContact CD2-CB 3.69Å; F439-C471 HydrophobicContact CE2-CB 4.33Å; F439-C471 HydrophobicContact CG-CB 4.16Å; F439-F473 HydrophobicContact CD1-CE2 4.23Å; F439-F473 AromaticContact CD1-CZ 3.74Å; F439-F473 HydrophobicContact CD1-CZ 3.74Å; F439-F473 HydrophobicContact CE1-CE2 4.07Å; F439-F473 AromaticContact CE1-CZ 3.98Å; F439-F473 HydrophobicContact CE1-CZ 3.98Å; F439-F473 HydrophobicContact CG-CZ 4.18Å; F439-F473 HydrophobicContact CZ-CE2 4.32Å; F439-T479 HydrophobicContact CE1-CG2 4.35Å; F439-P482 HydrophobicContact CB-CG 4.14Å
440E72.8Confident84.6Confident107 Ų10742.9 Ų42.950%0.523%0.23SC..THydrogen-bonded Turntrans-122.269.4179.8-168.3177.1-157.300110.3D438 T479D438-E440 VanDerWaalsContact C-N 3.28Å; D438-E440 PolarHBondContact O-N 3.22Å; E440-T479 WeakPolarHBondContact OE2-CB 3.32Å; E440-T479 PolarHBondContact OE2-OG1 3.48Å
441G74.2Confident85.2Confident37 Ų3744.5 Ų44.538%0.38123%0.232SC..SBendtrans82-132.6178.400000112D438D438-G441 CarbonylContact C-O 3.6Å; D438-G441 WeakPolarHBondContact CA-O 3.46Å; D438-G441 WeakPolarHBondContact CB-O 3.35Å
442D77.7Confident86Confident78 Ų7844 Ų4442%0.41723%0.229SC..SBendtrans-68.3137.1-173.9-66.5-40.8000112.4Q137 H444Q137-D442 PolarHBondContact NE2-OD1 2.94Å; D442-H444 PolarHBondContact O-N 3.33Å; D442-H444 VanDerWaalsContact O-N 3.1Å
443A82Confident86.7Confident19 Ų1941.9 Ų41.916%0.15722%0.217CC..  trans-65.2112.9176.800000111.1D436 D438D436-A443 HydrophobicContact CB-CB 3.62Å; D438-A443 HydrophobicContact CB-CB 4.22Å
444H82.4Confident87.1Confident46 Ų4639.6 Ų39.621%0.21321%0.208CC..SBendtrans-86.6-20.5172.2-67.8-59.2000113F416 D442 K480F416-H444 PolarHBondContact N-O 3.42Å; D442-H444 PolarHBondContact O-N 3.33Å; D442-H444 VanDerWaalsContact O-N 3.1Å; H444-K480 WeakPolarHBondContact CD2-CD 3.46Å; H444-K480 PolarHBondContact NE2-NZ 3.19Å
445Y91.4Very high87.5Confident43 Ų4337.3 Ų37.317%0.16920%0.196CC..EExtended strand (participates in β ladder)trans-136.3152-178.3-62.3-79.4000109.7V284 I413 L414 L437 K480 L481V284-Y445 HydrophobicContact CG1-CD1 4.34Å; V284-Y445 HydrophobicContact CG1-CE1 4.07Å; V284-Y445 HydrophobicContact CG2-CD1 4.21Å; V284-Y445 HydrophobicContact CG2-CE1 4.04Å; I413-Y445 HydrophobicContact CG2-CD1 3.91Å; I413-Y445 HydrophobicContact CG2-CG 4.28Å; L414-Y445 WeakPolarHBondContact O-CA 3.36Å; L437-Y445 VanDerWaalsContact CB-O 3.24Å; L437-Y445 WeakPolarHBondContact CB-O 3.47Å; L437-Y445 WeakPolarHBondContact CG-O 3.25Å; L437-Y445 PolarHBondContact N-O 3.44Å; Y445-K480 HydrophobicContact CD2-CB 4.48Å; Y445-K480 WeakPolarHBondContact CD2-O 3.31Å; Y445-K480 HydrophobicContact CE2-CB 4.43Å; Y445-L481 HydrophobicContact CD1-CD1 4.01Å; Y445-L481 HydrophobicContact CD2-CB 4.07Å; Y445-L481 HydrophobicContact CD2-CD1 3.58Å; Y445-L481 HydrophobicContact CD2-CG 4.3Å; Y445-L481 HydrophobicContact CE2-CB 4.19Å; Y445-L481 HydrophobicContact CE2-CD1 4.17Å; Y445-L481 HydrophobicContact CE2-CD2 4.42Å; Y445-L481 HydrophobicContact CG-CD1 3.48Å; Y445-L481 VanDerWaalsContact CG-CD1 3.48Å
446T93.4Very high87.8Confident4 Ų436.6 Ų36.63%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-135.4136.9-179.5-57.50000108.6L414 A419 L434 F435 D436L414-T446 PolarHBondContact N-O 3.02Å; L414-T446 PolarHBondContact O-N 3.01Å; A419-T446 HydrophobicContact CB-CG2 4.2Å; A419-T446 WeakPolarHBondContact CB-OG1 3.12Å; L434-T446 HydrophobicContact CB-CG2 3.74Å; L434-T446 HydrophobicContact CD2-CG2 4.04Å; L434-T446 HydrophobicContact CG-CG2 4.36Å; F435-T446 CarbonylContact O-C 3.54Å; F435-T446 VanDerWaalsContact O-CA 3.3Å; F435-T446 WeakPolarHBondContact O-CA 3.34Å; D436-T446 VanDerWaalsContact OD1-CG2 3.3Å; D436-T446 WeakPolarHBondContact OD1-CG2 3.45Å; D436-T446 PolarHBondContact OD1-OG1 3.49Å
447V94.9Very high87.9Confident0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-88.5121.3171.4-170.50000108.7Y278 Y409 E412 I413 L434 F435 L437Y278-V447 HydrophobicContact CD1-CG1 4.25Å; Y278-V447 HydrophobicContact CE1-CB 4.46Å; Y278-V447 HydrophobicContact CE1-CG1 3.75Å; Y278-V447 HydrophobicContact CE1-CG2 3.81Å; Y409-V447 HydrophobicContact CD1-CB 4.2Å; Y409-V447 HydrophobicContact CD1-CG1 3.95Å; Y409-V447 HydrophobicContact CE1-CB 4.25Å; Y409-V447 HydrophobicContact CE1-CG1 4.07Å; E412-V447 CarbonylContact O-C 3.5Å; E412-V447 WeakPolarHBondContact O-CA 3.35Å; I413-V447 HydrophobicContact CD1-CB 4.38Å; I413-V447 HydrophobicContact CD1-CG1 4.42Å; I413-V447 HydrophobicContact CD1-CG2 3.69Å; L434-V447 CarbonylContact C-O 3.59Å; L434-V447 WeakPolarHBondContact CA-O 3.49Å; F435-V447 HydrophobicContact CB-CB 4.11Å; F435-V447 PolarHBondContact N-O 3.37Å; F435-V447 PolarHBondContact O-N 3.47Å; L437-V447 HydrophobicContact CD1-CG2 4.12Å; L437-V447 HydrophobicContact CD2-CG2 3.83Å; L437-V447 HydrophobicContact CG-CG2 4.17Å
448D94.4Very high88.3Confident3 Ų333.6 Ų33.62%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-102.4109.3171.7-178.30.3000110.6G411 E412 L414 R422 Y426 L434 S450G411-D448 CarbonylContact C-O 3.6Å; G411-D448 VanDerWaalsContact CA-O 3.27Å; G411-D448 WeakPolarHBondContact CA-O 3.36Å; E412-D448 PolarHBondContact N-O 3.19Å; E412-D448 PolarHBondContact O-N 3.47Å; L414-D448 HydrophobicContact CD1-CB 3.65Å; L414-D448 HydrophobicContact CG-CB 4.06Å; R422-D448 VanDerWaalsContact CD-OD2 3.23Å; R422-D448 WeakPolarHBondContact CD-OD2 3.33Å; R422-D448 IonicContact CZ-OD2 2.8Å; R422-D448 IonicContact NE-OD2 2.86Å; R422-D448 IonicContact NH1-OD2 2.66Å; R422-D448 PolarHBondContact NH1-OD2 3.16Å; Y426-D448 PolarHBondContact OH-OD2 3.03Å; L434-D448 HydrophobicContact CD2-CB 3.62Å; D448-S450 WeakPolarHBondContact OD1-CB 3.34Å; D448-S450 PolarHBondContact OD1-N 3.33Å; D448-S450 PolarHBondContact OD1-OG 3.06Å; D448-S450 PolarHBondContact OD2-OG 3.23Å
449A93.1Very high88.8Confident0 Ų030.1 Ų30.10%016%0.157CC..  trans-98.612.5178.100000113.5Y409 Y433 M452 H457Y409-A449 HydrophobicContact CE1-CB 3.85Å; Y409-A449 WeakPolarHBondContact OH-CB 3.47Å; Y433-A449 PolarHBondContact O-N 3.06Å; A449-M452 WeakPolarHBondContact CA-O 3.24Å; A449-H457 PolarHBondContact O-ND1 3.28Å
450S87.8Confident89.5Confident19 Ų1928 Ų2813%0.13315%0.149CC..SBendtrans-63-47.5-170.460.60000113.8Y426 D448Y426-S450 PolarHBondContact OH-OG 3.27Å; D448-S450 WeakPolarHBondContact OD1-CB 3.34Å; D448-S450 PolarHBondContact OD1-N 3.33Å; D448-S450 PolarHBondContact OD1-OG 3.06Å; D448-S450 PolarHBondContact OD2-OG 3.23Å
451Q86Confident90.4Very high123 Ų12323.2 Ų23.258%0.57513%0.126SC*.SBendtrans-108-37-175.9-66176.155.900112.5Q273Q273-Q451 PolarHBondContact N-O 2.82Å
452M90Very high91.2Very high58 Ų5822 Ų2229%0.28611%0.112SC..EExtended strand (participates in β ladder)trans-127.2134.1-175.7-60.4-178.2-68.100108.8Q273 I275 L279 G411 E412 A449Q273-M452 HydrophobicContact CB-CG 4.12Å; Q273-M452 VanDerWaalsContact O-CA 3.29Å; Q273-M452 WeakPolarHBondContact O-CA 3.13Å; I275-M452 HydrophobicContact CD1-CB 4.47Å; I275-M452 HydrophobicContact CG2-CB 4.07Å; L279-M452 HydrophobicContact CD1-CB 4.38Å; L279-M452 HydrophobicContact CD1-CE 3.78Å; L279-M452 HydrophobicContact CD1-SD 3.58Å; L279-M452 VanDerWaalsContact CD1-SD 3.58Å; G411-M452 WeakPolarHBondContact CA-O 3.48Å; E412-M452 HydrophobicContact CB-CE 4.43Å; A449-M452 WeakPolarHBondContact CA-O 3.24Å
453G93.8Very high91.6Very high0 Ų019.1 Ų19.10%010%0.098CC..EExtended strand (participates in β ladder)trans176-159.4-177.300000111.1F272 Q273 P274 I275 L410F272-G453 VanDerWaalsContact CZ-C 3.47Å; Q273-G453 PolarHBondContact O-N 3.35Å; Q273-G453 VanDerWaalsContact O-N 3.17Å; P274-G453 CarbonylContact C-O 3.55Å; P274-G453 WeakPolarHBondContact CA-O 3.46Å; I275-G453 PolarHBondContact N-O 3.02Å; L410-G453 VanDerWaalsContact O-CA 3.27Å; L410-G453 WeakPolarHBondContact O-CA 3.45Å
454N94.3Very high91.9Very high5 Ų523 Ų233%0.02712%0.116CC..  trans-125.6-171.1177.292.16.2000108.9Y251 E408 L410 S456 H457Y251-N454 WeakPolarHBondContact OH-CB 3.44Å; E408-N454 PolarHBondContact O-ND2 3.25Å; E408-N454 PolarHBondContact O-OD1 2.89Å; L410-N454 HydrophobicContact CB-CB 4.01Å; L410-N454 HydrophobicContact CD1-CB 4Å; L410-N454 VanDerWaalsContact CD1-ND2 3.32Å; L410-N454 WeakPolarHBondContact CD1-ND2 3.34Å; L410-N454 HydrophobicContact CG-CB 4.32Å; L410-N454 VanDerWaalsContact CG-ND2 3.34Å; L410-N454 WeakPolarHBondContact CG-ND2 3.29Å; N454-S456 PolarHBondContact O-N 3.02Å; N454-S456 WeakPolarHBondContact OD1-CB 3.43Å; N454-S456 PolarHBondContact OD1-N 3.43Å; N454-S456 PolarHBondContact OD1-OG 2.76Å; N454-H457 VanDerWaalsContact O-CB 3.3Å; N454-H457 WeakPolarHBondContact O-CB 3.38Å; N454-H457 PolarHBondContact O-N 2.92Å
455I95.9Very high92.5Very high0 Ų022.1 Ų22.10%012%0.115CC..G310 helixtrans-54.9-21.1179.3-157.3-169.9000114Y251 I257 L382 V384 V394 V407 H457 F458Y251-I455 WeakPolarHBondContact OH-CG2 3.46Å; Y251-I455 PolarHBondContact OH-N 2.95Å; I257-I455 HydrophobicContact CD1-CB 3.76Å; I257-I455 HydrophobicContact CD1-CD1 3.76Å; I257-I455 HydrophobicContact CD1-CG1 3.99Å; I257-I455 HydrophobicContact CD1-CG2 4.27Å; I257-I455 HydrophobicContact CG1-CD1 3.98Å; I257-I455 HydrophobicContact CG2-CD1 3.91Å; L382-I455 HydrophobicContact CB-CD1 3.53Å; L382-I455 HydrophobicContact CD1-CD1 3.93Å; L382-I455 HydrophobicContact CD1-CG2 4.02Å; L382-I455 HydrophobicContact CG-CD1 4.38Å; V384-I455 HydrophobicContact CG2-CD1 3.73Å; V384-I455 HydrophobicContact CG2-CG1 3.52Å; V394-I455 HydrophobicContact CG1-CD1 3.88Å; V394-I455 HydrophobicContact CG2-CD1 4.15Å; V394-I455 HydrophobicContact CG2-CG1 3.95Å; V407-I455 HydrophobicContact CG2-CG2 3.85Å; I455-H457 PolarHBondContact O-N 2.72Å; I455-F458 HydrophobicContact CG1-CD2 4.41Å; I455-F458 PolarHBondContact O-N 3.05Å
456S95.6Very high92.8Very high1 Ų120.3 Ų20.31%0.00711%0.108CC..G310 helixtrans-56.5-28.8174.370.40000113.2E408 Y409 L410 N454 F458 I459E408-S456 WeakPolarHBondContact O-CB 3.24Å; E408-S456 PolarHBondContact O-OG 3.07Å; Y409-S456 WeakPolarHBondContact CA-OG 3.18Å; L410-S456 PolarHBondContact N-OG 3.37Å; N454-S456 PolarHBondContact O-N 3.02Å; N454-S456 WeakPolarHBondContact OD1-CB 3.43Å; N454-S456 PolarHBondContact OD1-N 3.43Å; N454-S456 PolarHBondContact OD1-OG 2.76Å; S456-F458 PolarHBondContact O-N 3.2Å; S456-I459 PolarHBondContact O-N 3.41Å; S456-I459 VanDerWaalsContact O-N 3.11Å
457H94.3Very high93Very high17 Ų1720.2 Ų20.28%0.07911%0.107CC..G310 helixtrans-52.5-34.8173.7169.5101.1000112F272 Y433 A449 N454 I455F272-H457 AromaticContact CD2-ND1 3.94Å; F272-H457 HydrophobicContact CE2-CB 3.68Å; F272-H457 AromaticContact CE2-CG 3.51Å; F272-H457 AromaticContact CE2-ND1 3.56Å; F272-H457 HydrophobicContact CZ-CB 3.84Å; Y433-H457 AromaticContact CD1-CE1 3.72Å; Y433-H457 AromaticContact CD1-ND1 3.57Å; Y433-H457 AromaticContact CE1-CE1 3.12Å; Y433-H457 WeakPolarHBondContact CE1-CE1 3.38Å; Y433-H457 AromaticContact CE1-CG 3.9Å; Y433-H457 AromaticContact CE1-ND1 3.31Å; Y433-H457 VanDerWaalsContact CE1-ND1 3.31Å; Y433-H457 WeakPolarHBondContact CE1-ND1 3.44Å; Y433-H457 AromaticContact CE1-NE2 3.59Å; Y433-H457 AromaticContact CZ-CE1 3.41Å; Y433-H457 VanDerWaalsContact CZ-CE1 3.41Å; Y433-H457 AromaticContact CZ-NE2 3.74Å; Y433-H457 PolarHBondContact OH-NE2 3.2Å; A449-H457 PolarHBondContact O-ND1 3.28Å; N454-H457 VanDerWaalsContact O-CB 3.3Å; N454-H457 WeakPolarHBondContact O-CB 3.38Å; N454-H457 PolarHBondContact O-N 2.92Å; I455-H457 PolarHBondContact O-N 2.72Å
458F95.3Very high92.9Very high7 Ų721.1 Ų21.13%0.03111%0.112CC..G310 helixtrans-91.82.1-174.5-56.2-78.8000113.3F243 P269 F272 V384 W392 G393 V394 I455 S456 N460F243-F458 HydrophobicContact CE1-CZ 4.16Å; F243-F458 HydrophobicContact CZ-CE1 4.38Å; F243-F458 HydrophobicContact CZ-CE2 4.17Å; F243-F458 AromaticContact CZ-CZ 3.64Å; F243-F458 HydrophobicContact CZ-CZ 3.64Å; P269-F458 HydrophobicContact CG-CE1 3.62Å; P269-F458 HydrophobicContact CG-CZ 3.95Å; F272-F458 HydrophobicContact CD1-CE2 4.06Å; F272-F458 AromaticContact CD1-CZ 3.91Å; F272-F458 HydrophobicContact CD1-CZ 3.91Å; F272-F458 HydrophobicContact CD2-CZ 4.37Å; F272-F458 AromaticContact CE1-CE2 3.79Å; F272-F458 HydrophobicContact CE1-CE2 3.79Å; F272-F458 HydrophobicContact CE1-CZ 4.11Å; F272-F458 HydrophobicContact CG-CZ 4.04Å; F272-F458 HydrophobicContact CZ-CE2 4.04Å; F272-F458 HydrophobicContact CZ-CZ 4.41Å; V384-F458 HydrophobicContact CG1-CB 4.37Å; V384-F458 HydrophobicContact CG1-CD1 4.18Å; V384-F458 HydrophobicContact CG1-CG 4.09Å; V384-F458 HydrophobicContact CG2-CD2 4.18Å; V384-F458 HydrophobicContact CG2-CG 4.38Å; W392-F458 HydrophobicContact CB-CD1 3.78Å; W392-F458 HydrophobicContact CG-CD1 4.46Å; G393-F458 CarbonylContact C-O 3.5Å; G393-F458 VanDerWaalsContact CA-O 3.24Å; G393-F458 WeakPolarHBondContact CA-O 3.39Å; V394-F458 HydrophobicContact CG2-CB 3.62Å; V394-F458 PolarHBondContact N-O 3.03Å; I455-F458 HydrophobicContact CG1-CD2 4.41Å; I455-F458 PolarHBondContact O-N 3.05Å; S456-F458 PolarHBondContact O-N 3.2Å; F458-N460 PolarHBondContact O-N 3.01Å
459I96.2Very high92.9Very high1 Ų121.1 Ų21.11%0.00511%0.113CC..PPolyproline II helixtrans-82.3117.3-178.8-59.1179.9000108.8V394 V407 S456 L467 L486 L498 F500 Y502V394-I459 HydrophobicContact CB-CG1 3.96Å; V394-I459 HydrophobicContact CG2-CG1 3.74Å; V407-I459 HydrophobicContact CG1-CD1 3.68Å; S456-I459 PolarHBondContact O-N 3.41Å; S456-I459 VanDerWaalsContact O-N 3.11Å; I459-L467 HydrophobicContact CD1-CD1 4.1Å; I459-L467 HydrophobicContact CG2-CD1 4.24Å; I459-L486 HydrophobicContact CD1-CD2 4.5Å; I459-L498 WeakPolarHBondContact CG2-O 3.46Å; I459-F500 HydrophobicContact CB-CD1 4.12Å; I459-F500 HydrophobicContact CB-CE1 4.07Å; I459-F500 HydrophobicContact CG2-CD1 3.58Å; I459-F500 HydrophobicContact CG2-CE1 4.04Å; I459-Y502 PolarHBondContact O-OH 3.32Å
460N94.2Very high92.9Very high20 Ų2021.8 Ų21.811%0.10712%0.115CC..EExtended strand (participates in β ladder)trans-75160.8-177.2-73.6-43.8000113.6R390 W392 G393 F458 E497 T499 F500R390-N460 PolarHBondContact O-OD1 3.28Å; W392-N460 PolarHBondContact O-ND2 3.01Å; W392-N460 VanDerWaalsContact O-ND2 3.15Å; W392-N460 PolarHBondContact O-OD1 2.85Å; G393-N460 WeakPolarHBondContact CA-ND2 3.37Å; F458-N460 PolarHBondContact O-N 3.01Å; N460-E497 PolarHBondContact ND2-OE1 3.47Å; N460-E497 VanDerWaalsContact ND2-OE1 3.07Å; N460-T499 HydrophobicContact CB-CG2 4.33Å; N460-T499 WeakPolarHBondContact O-CA 3.37Å; N460-T499 VanDerWaalsContact O-CB 3.25Å; N460-T499 WeakPolarHBondContact O-CB 3.13Å; N460-T499 WeakPolarHBondContact O-CG2 3.38Å; N460-F500 PolarHBondContact O-N 3.5Å
461H92.5Very high93.2Very high6 Ų621.5 Ų21.53%0.02811%0.113CC..EExtended strand (participates in β ladder)trans-71.1142.4170.717760.5000113.3C463 F500 D501 Y502 C573 R581 L584H461-C463 PolarHBondContact NE2-SG 3.18Å; H461-C463 VanDerWaalsContact NE2-SG 3.38Å; H461-F500 VanDerWaalsContact CA-O 3.3Å; H461-F500 WeakPolarHBondContact CA-O 3.27Å; H461-F500 PolarHBondContact ND1-O 3.29Å; H461-D501 IonicContact CE1-OD1 3.23Å; H461-D501 PolarHBondContact CE1-OD1 3.42Å; H461-D501 IonicContact ND1-OD1 3.2Å; H461-Y502 HydrophobicContact CB-CD1 3.76Å; H461-Y502 HydrophobicContact CB-CD2 3.85Å; H461-Y502 HydrophobicContact CB-CE1 3.72Å; H461-Y502 HydrophobicContact CB-CE2 3.82Å; H461-Y502 HydrophobicContact CB-CG 3.83Å; H461-Y502 PolarHBondContact N-OH 3.12Å; H461-Y502 AromaticContact ND1-CG 3.92Å; H461-Y502 PolarHBondContact ND1-N 3.35Å; H461-Y502 VanDerWaalsContact ND1-N 3.19Å; H461-C573 VanDerWaalsContact CD2-SG 3.53Å; H461-R581 PolarHBondContact CE1-NH2 3.36Å; H461-L584 HydrophobicContact CB-CD2 3.44Å; H461-L584 VanDerWaalsContact CB-CD2 3.44Å
462S90.6Very high93.7Very high11 Ų1115.7 Ų15.78%0.0779%0.086CC..  trans-140.6142.8158.5-177.60000111.1D464 T499 F500S462-D464 VanDerWaalsContact OG-C 3.22Å; S462-D464 PolarHBondContact OG-N 3.37Å; S462-D464 PolarHBondContact OG-O 3.48Å; S462-T499 VanDerWaalsContact CB-OG1 3.29Å; S462-T499 WeakPolarHBondContact CB-OG1 3.39Å; S462-F500 PolarHBondContact N-O 3.33Å
463C85.7Confident93.9Very high19 Ų1912.9 Ų12.913%0.1287%0.072CC..SBendtrans-74.4-15.3168.4-54.90000112.5H461 P465 R581H461-C463 PolarHBondContact NE2-SG 3.18Å; H461-C463 VanDerWaalsContact NE2-SG 3.38Å; C463-P465 VanDerWaalsContact C-CD 3.49Å; C463-R581 PolarHBondContact SG-N 3.47Å; C463-R581 VanDerWaalsContact SG-N 3.37Å
464D88.6Confident94Very high100 Ų10013.3 Ų13.354%0.5357%0.074SC..SBendtrans-125.476.3169.9179.627.4000108.4S462 S577S462-D464 VanDerWaalsContact OG-C 3.22Å; S462-D464 PolarHBondContact OG-N 3.37Å; S462-D464 PolarHBondContact OG-O 3.48Å; D464-S577 WeakPolarHBondContact CB-OG 3.39Å
465P95.3Very high93.8Very high28 Ų2814.9 Ų14.918%0.1828%0.082CC..  trans-81.6156.3-173.232.7-35.7000112.9C463 S489 T499 F500 D501C463-P465 VanDerWaalsContact C-CD 3.49Å; P465-S489 PolarHBondContact O-OG 3.42Å; P465-T499 VanDerWaalsContact CB-O 3.23Å; P465-T499 WeakPolarHBondContact CB-O 3.47Å; P465-F500 VanDerWaalsContact CB-CA 3.45Å; P465-D501 HydrophobicContact CG-CB 4.19Å
466N96.4Very high93.5Very high4 Ų415.8 Ų15.82%0.0219%0.087CC..SBendtrans-98.5-1.6170.757.715.8000113.4S489 I492 E496 E497 L498 T499N466-S489 WeakPolarHBondContact CA-OG 3.45Å; N466-S489 PolarHBondContact O-N 2.85Å; N466-S489 PolarHBondContact O-OG 2.66Å; N466-S489 VanDerWaalsContact O-OG 3.1Å; N466-I492 HydrophobicContact CB-CD1 3.96Å; N466-I492 HydrophobicContact CB-CG1 4.11Å; N466-I492 WeakPolarHBondContact O-CD1 3.48Å; N466-E496 PolarHBondContact ND2-OE1 3.3Å; N466-E497 PolarHBondContact ND2-O 3.32Å; N466-L498 WeakPolarHBondContact OD1-CA 3.42Å; N466-T499 PolarHBondContact N-O 3.48Å; N466-T499 PolarHBondContact OD1-N 2.91Å; N466-T499 PolarHBondContact OD1-O 3.35Å
467L97.3Very high93.1Very high3 Ų318.4 Ų18.42%0.01610%0.101CC..EExtended strand (participates in β ladder)trans-111.4145.2168.3-57.6179.8000111.4V406 I459 L486 Y487 I492 L498 T499 F500V406-L467 HydrophobicContact CB-CD2 4.19Å; V406-L467 HydrophobicContact CG1-CD2 4.44Å; V406-L467 HydrophobicContact CG2-CD2 3.74Å; I459-L467 HydrophobicContact CD1-CD1 4.1Å; I459-L467 HydrophobicContact CG2-CD1 4.24Å; L467-L486 HydrophobicContact CB-CB 4.45Å; L467-L486 HydrophobicContact CB-CD2 4.17Å; L467-L486 HydrophobicContact CD1-CB 4.16Å; L467-L486 HydrophobicContact CD1-CD2 3.74Å; L467-Y487 CarbonylContact C-O 3.46Å; L467-Y487 VanDerWaalsContact CA-O 3.24Å; L467-Y487 WeakPolarHBondContact CA-O 3.26Å; L467-I492 HydrophobicContact CD2-CD1 4.07Å; L467-L498 HydrophobicContact CD1-CB 4.01Å; L467-L498 HydrophobicContact CD2-CD2 4.33Å; L467-L498 HydrophobicContact CG-CB 4.48Å; L467-T499 WeakPolarHBondContact CB-O 3.46Å; L467-T499 PolarHBondContact N-O 2.77Å; L467-F500 HydrophobicContact CB-CB 4.15Å
468T94.4Very high92.8Very high18 Ų1820.6 Ų20.611%0.1111%0.114CC..EExtended strand (participates in β ladder)trans-114.5143.2169-175.60000109.5R470 L486 Y487 G506T468-R470 PolarHBondContact OG1-NH1 3.01Å; T468-L486 WeakPolarHBondContact O-CA 3.43Å; T468-Y487 PolarHBondContact N-O 3.01Å; T468-Y487 PolarHBondContact O-N 3Å; T468-G506 PolarHBondContact OG1-O 2.67Å
469V93.4Very high92.4Very high4 Ų422 Ų222%0.02412%0.123CC..EExtended strand (participates in β ladder)trans-94.4139.9179.6-173.10000109.9F435 I484 L486 F500 M504 A507F435-V469 HydrophobicContact CZ-CG1 3.97Å; V469-I484 HydrophobicContact CG1-CG2 3.49Å; V469-I484 VanDerWaalsContact CG1-CG2 3.49Å; V469-L486 HydrophobicContact CG2-CG 4.48Å; V469-F500 HydrophobicContact CG2-CB 4.37Å; V469-F500 HydrophobicContact CG2-CD2 3.83Å; V469-F500 HydrophobicContact CG2-CG 4.41Å; V469-M504 HydrophobicContact CB-CE 4.35Å; V469-M504 HydrophobicContact CG1-CE 3.85Å; V469-A507 HydrophobicContact CB-CB 4.49Å; V469-A507 WeakPolarHBondContact O-CB 3.33Å
470R93.4Very high92Very high14 Ų1425.8 Ų25.85%0.05314%0.139CC..EExtended strand (participates in β ladder)trans-139.3139177.9-66.4-68.4-173.9-108.3-3111.6L348 P352 V356 T468 A485 Y487 G506L348-R470 HydrophobicContact CD2-CG 3.73Å; P352-R470 VanDerWaalsContact CA-CZ 3.44Å; P352-R470 VanDerWaalsContact CA-NH2 3.25Å; P352-R470 VanDerWaalsContact N-NH2 3.13Å; V356-R470 HydrophobicContact CG2-CB 4.21Å; T468-R470 PolarHBondContact OG1-NH1 3.01Å; R470-A485 PolarHBondContact N-O 2.85Å; R470-A485 PolarHBondContact O-N 3.12Å; R470-Y487 HydrophobicContact CB-CD2 4.02Å; R470-Y487 HydrophobicContact CB-CE2 3.75Å; R470-Y487 HydrophobicContact CG-CD2 3.81Å; R470-Y487 HydrophobicContact CG-CE2 3.97Å; R470-G506 PolarHBondContact NH1-O 3.14Å
471C93.9Very high91.8Very high13 Ų1325.2 Ų25.29%0.08814%0.136CC..EExtended strand (participates in β ladder)trans-80123.2170.9-61.20000109.9V356 F439 F473 P482V356-C471 PolarHBondContact N-O 3.36Å; F439-C471 HydrophobicContact CB-CB 4.39Å; F439-C471 HydrophobicContact CD2-CB 3.69Å; F439-C471 HydrophobicContact CE2-CB 4.33Å; F439-C471 HydrophobicContact CG-CB 4.16Å; C471-F473 HydrophobicContact CB-CE2 4.36Å; C471-P482 HydrophobicContact CB-CB 3.67Å; C471-P482 HydrophobicContact CB-CG 4.23Å
472V96Very high91.9Very high0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-120.1136.6-174.7-173.90000110.4V356 E358 V374 I474 R483 A485V356-V472 HydrophobicContact CB-CB 4.42Å; V356-V472 HydrophobicContact CB-CG1 4.39Å; V356-V472 HydrophobicContact CB-CG2 3.99Å; V356-V472 HydrophobicContact CG1-CG1 4.06Å; V356-V472 HydrophobicContact CG1-CG2 4.12Å; V356-V472 CarbonylContact O-C 3.43Å; V356-V472 VanDerWaalsContact O-CA 3.27Å; V356-V472 WeakPolarHBondContact O-CA 3.47Å; E358-V472 HydrophobicContact CG-CG1 4.05Å; V374-V472 HydrophobicContact CB-CG1 4.45Å; V374-V472 HydrophobicContact CG2-CG1 4.2Å; V374-V472 HydrophobicContact CG2-CG2 4.23Å; V472-I474 HydrophobicContact CG1-CD1 4.11Å; V472-I474 HydrophobicContact CG1-CG1 3.91Å; V472-R483 HydrophobicContact CB-CB 4.17Å; V472-R483 PolarHBondContact N-O 3.04Å; V472-R483 WeakPolarHBondContact O-CB 3.38Å; V472-R483 PolarHBondContact O-N 3.17Å; V472-A485 HydrophobicContact CG2-CB 3.56Å
473F95.4Very high92.1Very high0 Ų027 Ų270%014%0.141CC..EExtended strand (participates in β ladder)trans-122.9128.6179.7-58.2-78.6000109.8P355 V356 Y357 E358 F439 C471 L477 N478 P482P355-F473 HydrophobicContact CB-CD2 4.08Å; P355-F473 HydrophobicContact CB-CE2 3.77Å; V356-F473 PolarHBondContact O-N 3.35Å; Y357-F473 WeakPolarHBondContact CA-O 3.28Å; Y357-F473 HydrophobicContact CD1-CB 3.56Å; Y357-F473 HydrophobicContact CD1-CD2 4.32Å; Y357-F473 HydrophobicContact CD1-CG 4.27Å; Y357-F473 HydrophobicContact CE1-CB 3.59Å; Y357-F473 AromaticContact CE1-CD2 3.88Å; Y357-F473 HydrophobicContact CE1-CD2 3.88Å; Y357-F473 AromaticContact CE1-CG 3.86Å; Y357-F473 HydrophobicContact CE1-CG 3.86Å; Y357-F473 HydrophobicContact CE2-CD2 4.25Å; Y357-F473 HydrophobicContact CG-CB 4.35Å; Y357-F473 AromaticContact CZ-CD2 3.85Å; E358-F473 PolarHBondContact N-O 2.97Å; F439-F473 HydrophobicContact CD1-CE2 4.23Å; F439-F473 AromaticContact CD1-CZ 3.74Å; F439-F473 HydrophobicContact CD1-CZ 3.74Å; F439-F473 HydrophobicContact CE1-CE2 4.07Å; F439-F473 AromaticContact CE1-CZ 3.98Å; F439-F473 HydrophobicContact CE1-CZ 3.98Å; F439-F473 HydrophobicContact CG-CZ 4.18Å; F439-F473 HydrophobicContact CZ-CE2 4.32Å; C471-F473 HydrophobicContact CB-CE2 4.36Å; F473-L477 HydrophobicContact CB-CD2 4Å; F473-N478 WeakPolarHBondContact CE1-O 3.26Å; F473-P482 HydrophobicContact CD1-CB 4.48Å; F473-P482 HydrophobicContact CE1-CB 3.68Å; F473-P482 HydrophobicContact CE2-CB 4.47Å; F473-P482 HydrophobicContact CZ-CB 3.69Å
474I94.6Very high92.5Very high8 Ų826.1 Ų26.14%0.04114%0.135CC..SBendtrans-134.5-87.3-173.8-44.3-174.1000109.7E358 N360 V374 Q375 V472 L477E358-I474 HydrophobicContact CB-CD1 4.35Å; E358-I474 HydrophobicContact CB-CG1 4.01Å; E358-I474 HydrophobicContact CB-CG2 4.33Å; E358-I474 HydrophobicContact CG-CD1 4.16Å; E358-I474 HydrophobicContact CG-CG1 4.11Å; N360-I474 HydrophobicContact CB-CG2 4.19Å; N360-I474 WeakPolarHBondContact CB-O 3.47Å; N360-I474 PolarHBondContact ND2-O 3.42Å; V374-I474 HydrophobicContact CB-CD1 4.24Å; V374-I474 HydrophobicContact CG1-CD1 4.45Å; Q375-I474 HydrophobicContact CB-CD1 3.94Å; Q375-I474 HydrophobicContact CB-CG2 4.48Å; V472-I474 HydrophobicContact CG1-CD1 4.11Å; V472-I474 HydrophobicContact CG1-CG1 3.91Å; I474-L477 WeakPolarHBondContact O-CD2 3.31Å
475E91.4Very high92.9Very high39 Ų3921.3 Ų21.318%0.18211%0.11CC..SBendtrans-86.1-44.1173.6-57-57.115000110.8K289 A290 N360 S361 L477K289-E475 WeakPolarHBondContact CA-OE2 3.46Å; A290-E475 VanDerWaalsContact CA-O 3.31Å; A290-E475 WeakPolarHBondContact CA-O 3.32Å; A290-E475 PolarHBondContact N-OE2 2.88Å; N360-E475 WeakPolarHBondContact CB-OE1 3.26Å; S361-E475 VanDerWaalsContact CB-OE1 3.28Å; S361-E475 WeakPolarHBondContact CB-OE1 3.47Å; S361-E475 WeakPolarHBondContact CB-OE2 3.38Å; S361-E475 PolarHBondContact N-OE1 3.03Å; S361-E475 VanDerWaalsContact OG-CD 3.32Å; S361-E475 PolarHBondContact OG-OE1 3.1Å; S361-E475 PolarHBondContact OG-OE2 3.41Å; E475-L477 PolarHBondContact O-N 3.41Å
476C89.1Confident93Very high18 Ų1820 Ų2012%0.12210%0.101CC..  trans-81113.1169.5-169.20000109.4P287P287-C476 HydrophobicContact CG-CB 3.74Å
477L87.3Confident93.1Very high57 Ų5719.9 Ų19.930%0.29810%0.1SC..  trans-101.811173.1-55.1-173.8000112.1P291 Y357 F473 I474 E475 T479P291-L477 HydrophobicContact CG-CD1 3.93Å; P291-L477 HydrophobicContact CG-CG 4.43Å; Y357-L477 HydrophobicContact CD1-CD2 4.25Å; Y357-L477 HydrophobicContact CE1-CD2 4.34Å; F473-L477 HydrophobicContact CB-CD2 4Å; I474-L477 WeakPolarHBondContact O-CD2 3.31Å; E475-L477 PolarHBondContact O-N 3.41Å; L477-T479 PolarHBondContact O-N 3.02Å
478N87.8Confident93.2Very high63 Ų6319.8 Ų19.834%0.33710%0.1SC..  trans-71.1111.9171.9-178.6-0.4000108.5F473 K480 L481F473-N478 WeakPolarHBondContact CE1-O 3.26Å; N478-K480 PolarHBondContact O-N 3.28Å; N478-K480 VanDerWaalsContact O-N 3.11Å; N478-K480 VanDerWaalsContact OD1-CB 3.32Å; N478-K480 WeakPolarHBondContact OD1-CB 3.48Å; N478-K480 PolarHBondContact OD1-N 2.89Å; N478-K480 VanDerWaalsContact OD1-N 3.07Å; N478-L481 HydrophobicContact CB-CB 4.36Å; N478-L481 CarbonylContact O-C 3.57Å; N478-L481 PolarHBondContact O-N 2.61Å
479T87.4Confident93.2Very high36 Ų3621 Ų2122%0.22111%0.109CC..THydrogen-bonded Turntrans-56.3-25.1179.446.50000113.3F439 E440 L477 L481F439-T479 HydrophobicContact CE1-CG2 4.35Å; E440-T479 WeakPolarHBondContact OE2-CB 3.32Å; E440-T479 PolarHBondContact OE2-OG1 3.48Å; L477-T479 PolarHBondContact O-N 3.02Å; T479-L481 VanDerWaalsContact C-N 3.32Å
480K88Confident93.2Very high81 Ų8125.1 Ų25.135%0.35212%0.124SC..THydrogen-bonded Turntrans-78.9-13.7177.1-56.1174.2170.7-148.20113.5H444 Y445 N478H444-K480 WeakPolarHBondContact CD2-CD 3.46Å; H444-K480 PolarHBondContact NE2-NZ 3.19Å; Y445-K480 HydrophobicContact CD2-CB 4.48Å; Y445-K480 WeakPolarHBondContact CD2-O 3.31Å; Y445-K480 HydrophobicContact CE2-CB 4.43Å; N478-K480 PolarHBondContact O-N 3.28Å; N478-K480 VanDerWaalsContact O-N 3.11Å; N478-K480 VanDerWaalsContact OD1-CB 3.32Å; N478-K480 WeakPolarHBondContact OD1-CB 3.48Å; N478-K480 PolarHBondContact OD1-N 2.89Å; N478-K480 VanDerWaalsContact OD1-N 3.07Å
481L90.3Very high93.3Very high7 Ų729.5 Ų29.54%0.03714%0.144CC..SBendtrans-131.858.2-175.4-16564.3000111.5L286 I413 L437 Y445 N478 T479L286-L481 HydrophobicContact CD2-CD2 3.37Å; L286-L481 HydrophobicContact CD2-CG 4.05Å; I413-L481 HydrophobicContact CG2-CD1 3.62Å; L437-L481 HydrophobicContact CD1-CD1 3.78Å; Y445-L481 HydrophobicContact CD1-CD1 4.01Å; Y445-L481 HydrophobicContact CD2-CB 4.07Å; Y445-L481 HydrophobicContact CD2-CD1 3.58Å; Y445-L481 HydrophobicContact CD2-CG 4.3Å; Y445-L481 HydrophobicContact CE2-CB 4.19Å; Y445-L481 HydrophobicContact CE2-CD1 4.17Å; Y445-L481 HydrophobicContact CE2-CD2 4.42Å; Y445-L481 HydrophobicContact CG-CD1 3.48Å; Y445-L481 VanDerWaalsContact CG-CD1 3.48Å; N478-L481 HydrophobicContact CB-CB 4.36Å; N478-L481 CarbonylContact O-C 3.57Å; N478-L481 PolarHBondContact O-N 2.61Å; T479-L481 VanDerWaalsContact C-N 3.32Å
482P93.5Very high93.5Very high4 Ų428.9 Ų28.93%0.02614%0.14CC..  trans-68.7156.5176.431.5-36.5000111.8L437 F439 C471 F473 I484L437-P482 HydrophobicContact CB-CG 4.34Å; L437-P482 HydrophobicContact CD2-CG 4.35Å; F439-P482 HydrophobicContact CB-CG 4.14Å; C471-P482 HydrophobicContact CB-CB 3.67Å; C471-P482 HydrophobicContact CB-CG 4.23Å; F473-P482 HydrophobicContact CD1-CB 4.48Å; F473-P482 HydrophobicContact CE1-CB 3.68Å; F473-P482 HydrophobicContact CE2-CB 4.47Å; F473-P482 HydrophobicContact CZ-CB 3.69Å; P482-I484 HydrophobicContact CG-CD1 4.22Å
483R94.8Very high93.5Very high50 Ų5036.6 Ų36.619%0.18917%0.169CC..EExtended strand (participates in β ladder)trans-83135.3164-62.7-167.972.995.50.1109.9D277 Y278 E408 V472D277-R483 IonicContact OD1-CZ 2.84Å; D277-R483 VanDerWaalsContact OD1-CZ 3.22Å; D277-R483 IonicContact OD1-NH1 3.04Å; D277-R483 PolarHBondContact OD1-NH1 3.36Å; D277-R483 IonicContact OD1-NH2 2.64Å; D277-R483 PolarHBondContact OD1-NH2 2.84Å; D277-R483 IonicContact OD2-NH1 3.52Å; Y278-R483 HydrophobicContact CE2-CB 4.21Å; Y278-R483 HydrophobicContact CE2-CG 4.02Å; E408-R483 VanDerWaalsContact OE1-CB 3.24Å; E408-R483 WeakPolarHBondContact OE1-CB 3.25Å; E408-R483 IonicContact OE1-CZ 3.19Å; E408-R483 IonicContact OE1-NE 3.22Å; E408-R483 PolarHBondContact OE1-NE 3.4Å; E408-R483 IonicContact OE1-NH2 3.86Å; E408-R483 PolarHBondContact OE1-NH2 3.11Å; E408-R483 IonicContact OE2-CZ 2.72Å; E408-R483 IonicContact OE2-NE 3.5Å; E408-R483 PolarHBondContact OE2-NE 3.26Å; E408-R483 IonicContact OE2-NH2 3.7Å; E408-R483 PolarHBondContact OE2-NH2 3.41Å; V472-R483 HydrophobicContact CB-CB 4.17Å; V472-R483 PolarHBondContact N-O 3.04Å; V472-R483 WeakPolarHBondContact O-CB 3.38Å; V472-R483 PolarHBondContact O-N 3.17Å
484I95Very high93.7Very high1 Ų143.7 Ų43.71%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-99.499.5-175.3-60.3-55.3000110.5Y278 E408 Y409 F435 L437 V469 P482Y278-I484 PolarHBondContact OH-N 2.96Å; E408-I484 CarbonylContact C-O 3.41Å; E408-I484 WeakPolarHBondContact CA-O 3.37Å; E408-I484 VanDerWaalsContact CG-O 3.25Å; E408-I484 WeakPolarHBondContact CG-O 3.3Å; Y409-I484 PolarHBondContact N-O 2.89Å; F435-I484 HydrophobicContact CD1-CG1 4.2Å; F435-I484 HydrophobicContact CE1-CD1 3.97Å; F435-I484 HydrophobicContact CE1-CG1 3.92Å; F435-I484 HydrophobicContact CE1-CG2 3.95Å; F435-I484 HydrophobicContact CE2-CG2 3.94Å; F435-I484 HydrophobicContact CZ-CG1 4.45Å; F435-I484 HydrophobicContact CZ-CG2 3.61Å; L437-I484 HydrophobicContact CD2-CD1 3.6Å; L437-I484 HydrophobicContact CD2-CG1 3.39Å; V469-I484 HydrophobicContact CG1-CG2 3.49Å; V469-I484 VanDerWaalsContact CG1-CG2 3.49Å; P482-I484 HydrophobicContact CG-CD1 4.22Å
485A96.8Very high93.8Very high0 Ų045.2 Ų45.20%022%0.218CC..EExtended strand (participates in β ladder)trans-104.6139.6-178.600000112.5V374 Y405 R470 V472 Y487V374-A485 HydrophobicContact CG1-CB 4.39Å; V374-A485 HydrophobicContact CG2-CB 3.91Å; Y405-A485 HydrophobicContact CD2-CB 4.23Å; Y405-A485 HydrophobicContact CE2-CB 3.95Å; R470-A485 PolarHBondContact N-O 2.85Å; R470-A485 PolarHBondContact O-N 3.12Å; V472-A485 HydrophobicContact CG2-CB 3.56Å; A485-Y487 HydrophobicContact CB-CD2 4.39Å; A485-Y487 HydrophobicContact CB-CE2 3.53Å
486L97.9Very high94.2Very high1 Ų145.2 Ų45.21%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-103.9128.9176.6-64.195.3000111V406 V407 I459 L467 T468 V469 F500V406-L486 PolarHBondContact N-O 2.97Å; V407-L486 HydrophobicContact CG1-CB 4.33Å; V407-L486 HydrophobicContact CG1-CD1 4.03Å; V407-L486 PolarHBondContact N-O 3.35Å; V407-L486 WeakPolarHBondContact O-CB 3.21Å; V407-L486 WeakPolarHBondContact O-CD1 3.39Å; V407-L486 PolarHBondContact O-N 3.28Å; I459-L486 HydrophobicContact CD1-CD2 4.5Å; L467-L486 HydrophobicContact CB-CB 4.45Å; L467-L486 HydrophobicContact CB-CD2 4.17Å; L467-L486 HydrophobicContact CD1-CB 4.16Å; L467-L486 HydrophobicContact CD1-CD2 3.74Å; T468-L486 WeakPolarHBondContact O-CA 3.43Å; V469-L486 HydrophobicContact CG2-CG 4.48Å; L486-F500 HydrophobicContact CD2-CB 3.83Å; L486-F500 HydrophobicContact CD2-CD1 3.71Å; L486-F500 HydrophobicContact CD2-CD2 4.43Å; L486-F500 HydrophobicContact CD2-CE1 4.36Å; L486-F500 HydrophobicContact CD2-CG 3.75Å
487Y98.2Very high94.6Very high0 Ų046.2 Ų46.20%022%0.221CC..EExtended strand (participates in β ladder)trans-121.6149.9179.8-61.7-97.5000110.5Y342 L348 V374 T404 Y405 L467 T468 R470 A485 S489Y342-Y487 AromaticContact CE1-CE1 3.75Å; Y342-Y487 HydrophobicContact CE1-CE1 3.75Å; Y342-Y487 PolarHBondContact OH-OH 2.9Å; L348-Y487 HydrophobicContact CB-CD1 3.76Å; L348-Y487 HydrophobicContact CB-CE1 4.12Å; L348-Y487 HydrophobicContact CB-CG 4.21Å; L348-Y487 HydrophobicContact CD1-CE1 4.39Å; L348-Y487 HydrophobicContact CD2-CD1 4.23Å; L348-Y487 HydrophobicContact CD2-CD2 4Å; L348-Y487 HydrophobicContact CD2-CG 3.85Å; L348-Y487 HydrophobicContact CG-CD1 4.44Å; V374-Y487 WeakPolarHBondContact CG2-OH 3.27Å; T404-Y487 CarbonylContact O-C 3.56Å; T404-Y487 WeakPolarHBondContact O-CA 3.13Å; Y405-Y487 HydrophobicContact CD2-CE1 4.19Å; Y405-Y487 HydrophobicContact CG-CE1 4.36Å; L467-Y487 CarbonylContact C-O 3.46Å; L467-Y487 VanDerWaalsContact CA-O 3.24Å; L467-Y487 WeakPolarHBondContact CA-O 3.26Å; T468-Y487 PolarHBondContact N-O 3.01Å; T468-Y487 PolarHBondContact O-N 3Å; R470-Y487 HydrophobicContact CB-CD2 4.02Å; R470-Y487 HydrophobicContact CB-CE2 3.75Å; R470-Y487 HydrophobicContact CG-CD2 3.81Å; R470-Y487 HydrophobicContact CG-CE2 3.97Å; A485-Y487 HydrophobicContact CB-CD2 4.39Å; A485-Y487 HydrophobicContact CB-CE2 3.53Å; Y487-S489 PolarHBondContact O-N 3.4Å
488A97.7Very high95.1Very high2 Ų243.5 Ų43.52%0.01721%0.206CC..EExtended strand (participates in β ladder)trans-63.6117.9172.700000110.8I400 G403 T404 V406 R490 I492I400-A488 HydrophobicContact CG2-CB 3.75Å; G403-A488 PolarHBondContact N-O 2.76Å; T404-A488 PolarHBondContact O-N 3.23Å; V406-A488 HydrophobicContact CG2-CB 4.45Å; A488-R490 VanDerWaalsContact C-N 3.3Å; A488-I492 HydrophobicContact CB-CD1 3.79Å; A488-I492 HydrophobicContact CB-CG1 4.24Å
489S95.2Very high95.6Very high42 Ų4241.1 Ų41.129%0.29419%0.194SC..SBendtrans-74.7-24.8179.263.80000112.4K402 P465 N466 Y487K402-S489 WeakPolarHBondContact CD-O 3.38Å; K402-S489 WeakPolarHBondContact CE-O 3.31Å; K402-S489 WeakPolarHBondContact CG-O 3.23Å; P465-S489 PolarHBondContact O-OG 3.42Å; N466-S489 WeakPolarHBondContact CA-OG 3.45Å; N466-S489 PolarHBondContact O-N 2.85Å; N466-S489 PolarHBondContact O-OG 2.66Å; N466-S489 VanDerWaalsContact O-OG 3.1Å; Y487-S489 PolarHBondContact O-N 3.4Å
490R94Very high95.9Very high92 Ų9239.7 Ų39.735%0.34719%0.185SC..SBendtrans-144.1-178175.859.5165.5173.880.3-2.5110.6A488 E496A488-R490 VanDerWaalsContact C-N 3.3Å; R490-E496 IonicContact CZ-OE1 3.41Å; R490-E496 IonicContact NH1-OE1 3.36Å; R490-E496 PolarHBondContact NH1-OE1 2.92Å; R490-E496 IonicContact NH1-OE2 3.7Å; R490-E496 PolarHBondContact NH1-OE2 2.85Å; R490-E496 IonicContact NH2-OE1 2.82Å; R490-E496 PolarHBondContact NH2-OE1 3.35Å
491F94.4Very high95.9Very high105 Ų10536.1 Ų36.146%0.46117%0.169SC..  trans-64.3136.3166178.9-98.4000110.6P399 I400 R493P399-F491 HydrophobicContact CB-CE2 3.97Å; P399-F491 HydrophobicContact CB-CZ 3.84Å; I400-F491 CarbonylContact O-C 3.55Å; I400-F491 WeakPolarHBondContact O-CA 3.49Å; I400-F491 VanDerWaalsContact O-CD2 3.28Å; I400-F491 WeakPolarHBondContact O-CD2 3.33Å; F491-R493 HydrophobicContact CD1-CG 4.5Å; F491-R493 HydrophobicContact CE1-CG 3.95Å
492I97.7Very high95.6Very high0 Ų038.2 Ų38.20%018%0.177CC..BIsolated β-bridgetrans-121.7128.9-178-49.3-177.8000108.4T396 P399 I400 N466 L467 A488 E496 L498T396-I492 HydrophobicContact CG2-CG2 3.87Å; P399-I492 WeakPolarHBondContact CA-O 3.37Å; I400-I492 HydrophobicContact CB-CB 4.09Å; I400-I492 HydrophobicContact CB-CG1 4.44Å; I400-I492 HydrophobicContact CD1-CD1 4.32Å; I400-I492 PolarHBondContact N-O 3.42Å; I400-I492 PolarHBondContact O-N 3.05Å; N466-I492 HydrophobicContact CB-CD1 3.96Å; N466-I492 HydrophobicContact CB-CG1 4.11Å; N466-I492 WeakPolarHBondContact O-CD1 3.48Å; L467-I492 HydrophobicContact CD2-CD1 4.07Å; A488-I492 HydrophobicContact CB-CD1 3.79Å; A488-I492 HydrophobicContact CB-CG1 4.24Å; I492-E496 HydrophobicContact CG2-CB 3.78Å; I492-E496 HydrophobicContact CG2-CG 4.1Å; I492-L498 HydrophobicContact CD1-CD2 3.68Å; I492-L498 HydrophobicContact CG2-CD2 3.91Å
493R98Very high94.7Very high163 Ų16340.1 Ų40.162%0.61519%0.187SC*.  trans-77.6152.1-179.2-67.5-179.2-179.783.7-1.9111T396 F491 G495 E496T396-R493 WeakPolarHBondContact CG2-O 3.3Å; F491-R493 HydrophobicContact CD1-CG 4.5Å; F491-R493 HydrophobicContact CE1-CG 3.95Å; R493-G495 PolarHBondContact O-N 3.45Å; R493-E496 HydrophobicContact CB-CB 4.41Å; R493-E496 PolarHBondContact N-OE2 2.92Å; R493-E496 WeakPolarHBondContact O-CB 3.47Å; R493-E496 PolarHBondContact O-N 2.9Å; R493-E496 VanDerWaalsContact O-N 3.07Å
494K98.4Very high93.6Very high148 Ų14838.8 Ų38.864%0.64318%0.184SC*.THydrogen-bonded Turntrans-53.6133.4167.6173174.3179.2-178.50110M397 P399 E496M397-K494 WeakPolarHBondContact O-CD 3.43Å; M397-K494 VanDerWaalsContact O-CE 3.27Å; M397-K494 WeakPolarHBondContact O-CE 3.13Å; M397-K494 WeakPolarHBondContact O-CG 3.42Å; P399-K494 HydrophobicContact CG-CB 4.36Å; K494-E496 PolarHBondContact O-N 3.48Å
495G97.9Very high92Very high41 Ų4142.5 Ų42.542%0.42321%0.206SC..THydrogen-bonded Turntrans80.3-3.6-179.900000114.6T396 R493T396-G495 WeakPolarHBondContact O-CA 3.09Å; T396-G495 PolarHBondContact O-N 2.92Å; R493-G495 PolarHBondContact O-N 3.45Å
496E98.1Very high89.9Confident39 Ų3944.3 Ų44.318%0.18223%0.225CC..PPolyproline II helixtrans-70.8136.5175.1-165.8-179.6144.800110.3K395 T396 N466 R490 I492 R493 K494K395-E496 VanDerWaalsContact CA-O 3.27Å; K395-E496 WeakPolarHBondContact CA-O 3.47Å; K395-E496 VanDerWaalsContact CB-O 3.31Å; K395-E496 WeakPolarHBondContact CB-O 3.5Å; T396-E496 PolarHBondContact N-O 3.31Å; T396-E496 VanDerWaalsContact N-O 3.13Å; N466-E496 PolarHBondContact ND2-OE1 3.3Å; R490-E496 IonicContact CZ-OE1 3.41Å; R490-E496 IonicContact NH1-OE1 3.36Å; R490-E496 PolarHBondContact NH1-OE1 2.92Å; R490-E496 IonicContact NH1-OE2 3.7Å; R490-E496 PolarHBondContact NH1-OE2 2.85Å; R490-E496 IonicContact NH2-OE1 2.82Å; R490-E496 PolarHBondContact NH2-OE1 3.35Å; I492-E496 HydrophobicContact CG2-CB 3.78Å; I492-E496 HydrophobicContact CG2-CG 4.1Å; R493-E496 HydrophobicContact CB-CB 4.41Å; R493-E496 PolarHBondContact N-OE2 2.92Å; R493-E496 WeakPolarHBondContact O-CB 3.47Å; R493-E496 PolarHBondContact O-N 2.9Å; R493-E496 VanDerWaalsContact O-N 3.07Å; K494-E496 PolarHBondContact O-N 3.48Å
497E98.2Very high87.8Confident39 Ų3945.1 Ų45.118%0.18223%0.231CC..EExtended strand (participates in β ladder)trans-66.7133173.9-176.8179177.100109.9F385 R390 V394 N460 N466 T499F385-E497 HydrophobicContact CE1-CB 4.25Å; F385-E497 HydrophobicContact CE1-CG 3.94Å; F385-E497 HydrophobicContact CZ-CB 4.06Å; F385-E497 HydrophobicContact CZ-CG 3.88Å; R390-E497 IonicContact CZ-OE1 2.85Å; R390-E497 IonicContact CZ-OE2 2.83Å; R390-E497 IonicContact NH1-OE1 3.9Å; R390-E497 PolarHBondContact NH1-OE1 3.48Å; R390-E497 IonicContact NH1-OE2 3.29Å; R390-E497 PolarHBondContact NH1-OE2 2.94Å; R390-E497 IonicContact NH2-OE1 3.18Å; R390-E497 PolarHBondContact NH2-OE1 2.99Å; R390-E497 IonicContact NH2-OE2 3.65Å; R390-E497 PolarHBondContact NH2-OE2 2.89Å; V394-E497 CarbonylContact O-C 3.59Å; V394-E497 WeakPolarHBondContact O-CA 3.26Å; V394-E497 WeakPolarHBondContact O-CG 3.46Å; N460-E497 PolarHBondContact ND2-OE1 3.47Å; N460-E497 VanDerWaalsContact ND2-OE1 3.07Å; N466-E497 PolarHBondContact ND2-O 3.32Å; E497-T499 HydrophobicContact CG-CG2 4.09Å
498L98.7Very high85.7Confident0 Ų048.6 Ų48.60%025%0.252CS..EExtended strand (participates in β ladder)trans-85.6132.5173.7-61.3-176000109.2L382 V394 I400 V406 I459 N466 L467 I492L382-L498 HydrophobicContact CD1-CD1 4.46Å; L382-L498 HydrophobicContact CD2-CD1 3.51Å; V394-L498 HydrophobicContact CG1-CD1 4.1Å; V394-L498 PolarHBondContact O-N 3.42Å; I400-L498 HydrophobicContact CD1-CD2 4.29Å; V406-L498 HydrophobicContact CG1-CD1 3.8Å; I459-L498 WeakPolarHBondContact CG2-O 3.46Å; N466-L498 WeakPolarHBondContact OD1-CA 3.42Å; L467-L498 HydrophobicContact CD1-CB 4.01Å; L467-L498 HydrophobicContact CD2-CD2 4.33Å; L467-L498 HydrophobicContact CG-CB 4.48Å; I492-L498 HydrophobicContact CD1-CD2 3.68Å; I492-L498 HydrophobicContact CG2-CD2 3.91Å
499T97Very high83.2Confident12 Ų1251 Ų517%0.07427%0.273CS..EExtended strand (participates in β ladder)trans-144.1151.3179.154.40000110.7N460 S462 P465 N466 L467 E497N460-T499 HydrophobicContact CB-CG2 4.33Å; N460-T499 WeakPolarHBondContact O-CA 3.37Å; N460-T499 VanDerWaalsContact O-CB 3.25Å; N460-T499 WeakPolarHBondContact O-CB 3.13Å; N460-T499 WeakPolarHBondContact O-CG2 3.38Å; S462-T499 VanDerWaalsContact CB-OG1 3.29Å; S462-T499 WeakPolarHBondContact CB-OG1 3.39Å; P465-T499 VanDerWaalsContact CB-O 3.23Å; P465-T499 WeakPolarHBondContact CB-O 3.47Å; N466-T499 PolarHBondContact N-O 3.48Å; N466-T499 PolarHBondContact OD1-N 2.91Å; N466-T499 PolarHBondContact OD1-O 3.35Å; L467-T499 WeakPolarHBondContact CB-O 3.46Å; L467-T499 PolarHBondContact N-O 2.77Å; E497-T499 HydrophobicContact CG-CG2 4.09Å
500F94.1Very high80.5Confident6 Ų653 Ų533%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-130.8164.7171.173.4-79.4000111.1Y409 F435 I459 N460 H461 S462 P465 L467 V469 L486 Y502Y409-F500 HydrophobicContact CD2-CZ 4.38Å; Y409-F500 HydrophobicContact CE2-CZ 4.23Å; F435-F500 HydrophobicContact CE2-CE2 4.06Å; I459-F500 HydrophobicContact CB-CD1 4.12Å; I459-F500 HydrophobicContact CB-CE1 4.07Å; I459-F500 HydrophobicContact CG2-CD1 3.58Å; I459-F500 HydrophobicContact CG2-CE1 4.04Å; N460-F500 PolarHBondContact O-N 3.5Å; H461-F500 VanDerWaalsContact CA-O 3.3Å; H461-F500 WeakPolarHBondContact CA-O 3.27Å; H461-F500 PolarHBondContact ND1-O 3.29Å; S462-F500 PolarHBondContact N-O 3.33Å; P465-F500 VanDerWaalsContact CB-CA 3.45Å; L467-F500 HydrophobicContact CB-CB 4.15Å; V469-F500 HydrophobicContact CG2-CB 4.37Å; V469-F500 HydrophobicContact CG2-CD2 3.83Å; V469-F500 HydrophobicContact CG2-CG 4.41Å; L486-F500 HydrophobicContact CD2-CB 3.83Å; L486-F500 HydrophobicContact CD2-CD1 3.71Å; L486-F500 HydrophobicContact CD2-CD2 4.43Å; L486-F500 HydrophobicContact CD2-CE1 4.36Å; L486-F500 HydrophobicContact CD2-CG 3.75Å; F500-Y502 HydrophobicContact CD1-CD1 4.37Å; F500-Y502 HydrophobicContact CD1-CE1 4.12Å; F500-Y502 HydrophobicContact CD2-CD1 4.01Å; F500-Y502 AromaticContact CE1-CD1 3.92Å; F500-Y502 HydrophobicContact CE1-CD1 3.92Å; F500-Y502 AromaticContact CE1-CE1 3.51Å; F500-Y502 HydrophobicContact CE1-CE1 3.51Å; F500-Y502 AromaticContact CE2-CD1 3.5Å; F500-Y502 HydrophobicContact CE2-CD1 3.5Å; F500-Y502 VanDerWaalsContact CE2-CD1 3.5Å; F500-Y502 AromaticContact CE2-CE1 3.98Å; F500-Y502 HydrophobicContact CE2-CE1 3.98Å; F500-Y502 HydrophobicContact CE2-CG 4.49Å; F500-Y502 HydrophobicContact CG-CD1 4.41Å; F500-Y502 AromaticContact CZ-CD1 3.45Å; F500-Y502 HydrophobicContact CZ-CD1 3.45Å; F500-Y502 VanDerWaalsContact CZ-CD1 3.45Å; F500-Y502 AromaticContact CZ-CE1 3.42Å; F500-Y502 HydrophobicContact CZ-CE1 3.42Å; F500-Y502 VanDerWaalsContact CZ-CE1 3.42Å
501D88.1Confident77.6Confident6 Ų654.8 Ų54.83%0.03231%0.308CS..  trans-83.5119.8172.9-173.4-0.8000109.3H461 P465 N503 M504 T505 R581H461-D501 IonicContact CE1-OD1 3.23Å; H461-D501 PolarHBondContact CE1-OD1 3.42Å; H461-D501 IonicContact ND1-OD1 3.2Å; P465-D501 HydrophobicContact CG-CB 4.19Å; D501-N503 PolarHBondContact O-N 3.41Å; D501-N503 PolarHBondContact OD1-N 3.49Å; D501-M504 PolarHBondContact O-N 3.18Å; D501-T505 WeakPolarHBondContact OD2-CB 3.49Å; D501-T505 WeakPolarHBondContact OD2-CG2 3.2Å; D501-T505 PolarHBondContact OD2-OG1 3.09Å; D501-R581 IonicContact OD1-CZ 2.86Å; D501-R581 IonicContact OD1-NH1 3.16Å; D501-R581 IonicContact OD1-NH2 2.76Å; D501-R581 PolarHBondContact OD1-NH2 3.04Å; D501-R581 IonicContact OD2-CZ 2.68Å; D501-R581 IonicContact OD2-NH1 3.49Å; D501-R581 PolarHBondContact OD2-NH1 3.03Å; D501-R581 IonicContact OD2-NH2 3.41Å; D501-R581 PolarHBondContact OD2-NH2 3.08Å
502Y84.5Confident74.5Confident51 Ų5155.4 Ų55.420%0.232%0.321CS..THydrogen-bonded Turntrans-67.9-22.9-179.4-73.36000111.5T432 I459 H461 F500 M504 L584T432-Y502 WeakPolarHBondContact OG1-CE2 3.45Å; I459-Y502 PolarHBondContact O-OH 3.32Å; H461-Y502 HydrophobicContact CB-CD1 3.76Å; H461-Y502 HydrophobicContact CB-CD2 3.85Å; H461-Y502 HydrophobicContact CB-CE1 3.72Å; H461-Y502 HydrophobicContact CB-CE2 3.82Å; H461-Y502 HydrophobicContact CB-CG 3.83Å; H461-Y502 PolarHBondContact N-OH 3.12Å; H461-Y502 AromaticContact ND1-CG 3.92Å; H461-Y502 PolarHBondContact ND1-N 3.35Å; H461-Y502 VanDerWaalsContact ND1-N 3.19Å; F500-Y502 HydrophobicContact CD1-CD1 4.37Å; F500-Y502 HydrophobicContact CD1-CE1 4.12Å; F500-Y502 HydrophobicContact CD2-CD1 4.01Å; F500-Y502 AromaticContact CE1-CD1 3.92Å; F500-Y502 HydrophobicContact CE1-CD1 3.92Å; F500-Y502 AromaticContact CE1-CE1 3.51Å; F500-Y502 HydrophobicContact CE1-CE1 3.51Å; F500-Y502 AromaticContact CE2-CD1 3.5Å; F500-Y502 HydrophobicContact CE2-CD1 3.5Å; F500-Y502 VanDerWaalsContact CE2-CD1 3.5Å; F500-Y502 AromaticContact CE2-CE1 3.98Å; F500-Y502 HydrophobicContact CE2-CE1 3.98Å; F500-Y502 HydrophobicContact CE2-CG 4.49Å; F500-Y502 HydrophobicContact CG-CD1 4.41Å; F500-Y502 AromaticContact CZ-CD1 3.45Å; F500-Y502 HydrophobicContact CZ-CD1 3.45Å; F500-Y502 VanDerWaalsContact CZ-CD1 3.45Å; F500-Y502 AromaticContact CZ-CE1 3.42Å; F500-Y502 HydrophobicContact CZ-CE1 3.42Å; F500-Y502 VanDerWaalsContact CZ-CE1 3.42Å; Y502-M504 VanDerWaalsContact C-N 3.26Å; Y502-M504 PolarHBondContact O-N 3.2Å; Y502-L584 HydrophobicContact CD2-CD2 4.38Å; Y502-L584 HydrophobicContact CE2-CD2 4.4Å
503N74.1Confident71.1Confident44 Ų4460 Ų6024%0.23535%0.353CS..THydrogen-bonded Turntrans-86.47.4172.9-69.63.3000112.8D501 T505D501-N503 PolarHBondContact O-N 3.41Å; D501-N503 PolarHBondContact OD1-N 3.49Å; N503-T505 HydrophobicContact CB-CG2 4.38Å; N503-T505 PolarHBondContact O-N 3.24Å
504M71.8Confident67.6Low23 Ų2358.1 Ų58.111%0.11336%0.359CS..  trans53.423.9176.2-59179.866.400116.4F435 V469 D501 Y502 G506 A507F435-M504 HydrophobicContact CD1-SD 4.41Å; F435-M504 HydrophobicContact CE1-CE 3.87Å; F435-M504 HydrophobicContact CE1-CG 4.37Å; F435-M504 HydrophobicContact CE1-SD 3.27Å; F435-M504 WeakPolarHBondContact CE1-SD 3.37Å; F435-M504 HydrophobicContact CE2-CG 4.4Å; F435-M504 HydrophobicContact CE2-SD 4.29Å; F435-M504 HydrophobicContact CZ-CE 3.73Å; F435-M504 HydrophobicContact CZ-CG 3.72Å; F435-M504 HydrophobicContact CZ-SD 3.18Å; F435-M504 WeakPolarHBondContact CZ-SD 3.32Å; V469-M504 HydrophobicContact CB-CE 4.35Å; V469-M504 HydrophobicContact CG1-CE 3.85Å; D501-M504 PolarHBondContact O-N 3.18Å; Y502-M504 VanDerWaalsContact C-N 3.26Å; Y502-M504 PolarHBondContact O-N 3.2Å; M504-G506 PolarHBondContact O-N 3.02Å; M504-A507 HydrophobicContact CB-CB 4.07Å; M504-A507 HydrophobicContact CE-CB 3.9Å; M504-A507 WeakPolarHBondContact O-CA 3.26Å; M504-A507 VanDerWaalsContact O-CB 3.22Å; M504-A507 WeakPolarHBondContact O-CB 3.3Å; M504-A507 PolarHBondContact O-N 3.09Å
505T60.7Low64.1Low79 Ų7957 Ų5749%0.48537%0.365SS..G310 helixtrans-57.1-32.1-174.8580000113.4D501 N503 A507 V508D501-T505 WeakPolarHBondContact OD2-CB 3.49Å; D501-T505 WeakPolarHBondContact OD2-CG2 3.2Å; D501-T505 PolarHBondContact OD2-OG1 3.09Å; N503-T505 HydrophobicContact CB-CG2 4.38Å; N503-T505 PolarHBondContact O-N 3.24Å; T505-A507 VanDerWaalsContact C-N 3.31Å; T505-A507 PolarHBondContact O-N 3.33Å; T505-V508 PolarHBondContact O-N 3.12Å
506G53.1Low60.6Low37 Ų3760.6 Ų60.638%0.38138%0.378SS..G310 helixtrans-77.9-6175.400000115.8T468 R470 M504T468-G506 PolarHBondContact OG1-O 2.67Å; R470-G506 PolarHBondContact NH1-O 3.14Å; M504-G506 PolarHBondContact O-N 3.02Å
507A53.6Low57.1Low18 Ų1866.6 Ų66.615%0.14941%0.412CS..G310 helixtrans-78.1-25.8170.800000111.4G353 V469 M504 T505G353-A507 VanDerWaalsContact CA-O 3.23Å; G353-A507 WeakPolarHBondContact CA-O 3.39Å; G353-A507 PolarHBondContact N-O 2.7Å; V469-A507 HydrophobicContact CB-CB 4.49Å; V469-A507 WeakPolarHBondContact O-CB 3.33Å; M504-A507 HydrophobicContact CB-CB 4.07Å; M504-A507 HydrophobicContact CE-CB 3.9Å; M504-A507 WeakPolarHBondContact O-CA 3.26Å; M504-A507 VanDerWaalsContact O-CB 3.22Å; M504-A507 WeakPolarHBondContact O-CB 3.3Å; M504-A507 PolarHBondContact O-N 3.09Å; T505-A507 VanDerWaalsContact C-N 3.31Å; T505-A507 PolarHBondContact O-N 3.33Å
508V54.3Low53.7Low73 Ų7372.2 Ų72.244%0.44244%0.443SS..SBendtrans-90.5150.8178.8-167.20000109.4M131 P352 T505 A510M131-V508 HydrophobicContact CE-CG1 3.76Å; P352-V508 WeakPolarHBondContact CB-O 3.44Å; T505-V508 PolarHBondContact O-N 3.12Å; V508-A510 PolarHBondContact O-N 2.91Å; V508-A510 VanDerWaalsContact O-N 3.16Å
509A46.1Very low50.2Low54 Ų5477 Ų7745%0.44648%0.483SS..PPolyproline II helixtrans-58.2119.4165.900000108.2D511A509-D511 PolarHBondContact O-N 2.97Å; A509-D511 VanDerWaalsContact O-N 3.17Å
510A37.2Very low46.9Very low83 Ų8379.9 Ų79.969%0.68651%0.514SS*.PPolyproline II helixtrans-59.9122.4174.200000108V508 T512V508-A510 PolarHBondContact O-N 2.91Å; V508-A510 VanDerWaalsContact O-N 3.16Å; A510-T512 PolarHBondContact O-N 3.38Å
511D34.8Very low43.6Very low129 Ų12988.6 Ų88.669%0.6956%0.555SS**PPolyproline II helixtrans-49.5117170.1-116.2-21.5000107.6R133 A509 S513R133-D511 IonicContact NH2-OD2 3.57Å; R133-D511 PolarHBondContact NH2-OD2 3.37Å; A509-D511 PolarHBondContact O-N 2.97Å; A509-D511 VanDerWaalsContact O-N 3.17Å; D511-S513 PolarHBondContact O-N 3.12Å
512T27.7Very low40.5Very low119 Ų11993.3 Ų93.373%0.7360%0.595SS**  trans-10.7102.6-179.1-47.40000115.8A510 V514A510-T512 PolarHBondContact O-N 3.38Å; T512-V514 HydrophobicContact CG2-CG2 3.83Å
513S26.6Very low37.7Very low97 Ų97100 Ų10068%0.67863%0.628SS**  trans-108.4113143.250.20000107.2D511 V515D511-S513 PolarHBondContact O-N 3.12Å; S513-V515 PolarHBondContact O-N 2.84Å
514V23.9Very low35.2Very low123 Ų123104.2 Ų104.275%0.74566%0.656SS**  trans-60.8103.1178.7179.80000107.8T512T512-V514 HydrophobicContact CG2-CG2 3.83Å
515V25.8Very low32.9Very low125 Ų125109.2 Ų109.276%0.75869%0.689SS**  trans-106.2107.8164.4-164.90000105.6S513 D517S513-V515 PolarHBondContact O-N 2.84Å; V515-D517 PolarHBondContact O-N 2.92Å
516T24.9Very low31.2Very low115 Ų115110.7 Ų110.771%0.70670%0.703SS**  trans-58.5123.7172.444.90000109.3D518T516-D518 PolarHBondContact O-N 3.36Å
517D24.6Very low29.7Very low165 Ų165118 Ų11888%0.88273%0.727SS**  trans-58.2102.5168-97.2-27.6000109V515V515-D517 PolarHBondContact O-N 2.92Å
518D26.9Very low28.4Very low158 Ų158123.2 Ų123.285%0.84576%0.758SS**  trans-100.793.8157.3-107.4-10.4000107.6T516 G520T516-D518 PolarHBondContact O-N 3.36Å; D518-G520 PolarHBondContact O-N 3.27Å
519A25.3Very low27Very low101 Ų101128.4 Ų128.484%0.83578%0.777SS**  trans-70.678.2166.700000109.1
520G26.9Very low25.9Very low71 Ų71131.7 Ų131.773%0.73280%0.797SS**  trans-86.2115170.500000111D518D518-G520 PolarHBondContact O-N 3.27Å
521E25.1Very low25.4Very low190 Ų190131.5 Ų131.589%0.88880%0.802SS**  trans-57146.2174.5-72.4175.213800112.5E523E521-E523 PolarHBondContact O-N 2.9Å
522A22.8Very low24.9Very low104 Ų104130.8 Ų130.886%0.8681%0.807SS**  trans-74.5108.6-178.800000111.1
523E25.7Very low24.6Very low191 Ų191132.1 Ų132.189%0.89381%0.81SS**PPolyproline II helixtrans-93.8129.9161.3-72.3-165.9157.900110.8E521E521-E523 PolarHBondContact O-N 2.9Å
524T22.2Very low24.5Very low134 Ų134137.1 Ų137.182%0.82282%0.822SS**PPolyproline II helixtrans-67.7147.3-179.837.30000113
525P23.2Very low24.4Very low127 Ų127139 Ų13983%0.82583%0.827SS**PPolyproline II helixtrans-84.1131.1-164.633.3-33.9000113.1
526S24.8Very low24.3Very low110 Ų110136.5 Ų136.577%0.76983%0.828SS**PPolyproline II helixtrans-94.3124.5167.359.20000111
527E22.1Very low24.1Very low192 Ų192134.7 Ų134.790%0.89783%0.832SS**PPolyproline II helixtrans-73.2123.5173-63176.4143.400111.4
528T25.9Very low24Very low127 Ų127137.1 Ų137.178%0.77983%0.834SS**  trans-148.798.3157.5-14.90000112.4
529Q24.5Very low23.9Very low181 Ų181135 Ų13585%0.84683%0.832SS**  trans30.5119.5136-63.6-177.81600121.1
530S22.9Very low23.9Very low124 Ų124136 Ų13687%0.86783%0.83SS**  59.1105122.8172.60000119.2
531G26.2Very low23.7Very low78 Ų78139.3 Ų139.380%0.80484%0.836SS**  trans-150.9108.7163.600000112.2
532S25.7Very low23.6Very low114 Ų114136.4 Ų136.480%0.79783%0.834SS**  trans-44.3142.5-173.4-1760000118.5
533L19.7Very low23.7Very low148 Ų148137.1 Ų137.178%0.77583%0.832SS**  trans-39.5135.5154.6-70.9132000114.5
534H26.1Very low23.6Very low202 Ų202133.3 Ų133.394%0.93583%0.827SS**  trans-140.8122141.4-126.966.1000109.5
535N20.6Very low23.7Very low161 Ų161132.4 Ų132.486%0.86183%0.826SS**  trans-120.1129.2-175.8-160.714.5000107.1
536G23.6Very low24.1Very low74 Ų74132.1 Ų132.176%0.76383%0.827SS**  trans161.997.7178.500000108.1
537G21.5Very low24.2Very low77 Ų77133.3 Ų133.379%0.79483%0.829SS**  cis89.769.246.600000108.6
538K22.9Very low24.6Very low215 Ų215132 Ų13294%0.93583%0.829SS**  trans-123.2113.1166.9-108.2179.6178.5177.90108.9
539S24.1Very low24.7Very low115 Ų115131.8 Ų131.880%0.80483%0.827SS**  trans-78.8160.7-179.9-37.50000112
540P25.4Very low24.8Very low121 Ų121129.3 Ų129.379%0.78682%0.824SS**  trans-104.8155.2-17338.4-30.1000113.4
541T23.2Very low25.1Very low140 Ų140128.4 Ų128.486%0.85982%0.816SS**  trans-141135.2155.842.10000110.6
542P23Very low25.3Very low130 Ų130132.5 Ų132.584%0.84482%0.819SS**  trans-97.3144.5-179.736-30.1000111.9
543S24.6Very low25.3Very low118 Ų118133.2 Ų133.283%0.82582%0.819SS**  trans-106123.5169.8530000110.7
544S22.5Very low25.7Very low111 Ų111131.7 Ų131.778%0.77682%0.821SS**  trans-60.7144.4168.5560000113.1
545S25.8Very low25.7Very low115 Ų115127.2 Ų127.280%0.80481%0.812SS**  158107.3123.961.80000110.6
546S30.2Very low26.1Very low122 Ų122128.9 Ų128.985%0.85381%0.814SS**  trans-154.8106.9149.147.80000108.1
547V27.2Very low26.2Very low134 Ų134132 Ų13281%0.81282%0.818SS**  trans-94.5119166.2178.10000104
548D30.7Very low26.5Very low165 Ų165133.1 Ų133.188%0.88281%0.814SS**  trans-146.1144.7158.2-102.4-32.7000110.5
549V28.2Very low26.5Very low122 Ų122132.3 Ų132.374%0.73981%0.811SS**  trans-87.7136.7-152.3166.20000111
550T26.3Very low26.7Very low129 Ų129133.7 Ų133.779%0.79181%0.81SS**  trans-64.9135165.850.70000110.8
551P29.7Very low26.8Very low106 Ų106133.2 Ų133.269%0.68881%0.809SS**  -144138.5113.534.6-19.7000111.9
552D29.9Very low26.9Very low163 Ų163135.8 Ų135.887%0.87281%0.808SS**  trans-167124.5131.2-100.2-22.7000110.7
553T25.7Very low27Very low130 Ų130135.1 Ų135.180%0.79881%0.806SS**  trans-91.6122.4172.945.40000108.6
554S28.8Very low27Very low116 Ų116137.8 Ų137.881%0.81181%0.811SS**  trans-174.9125140.425.50000111.9
555S25.7Very low27.3Very low108 Ų108135 Ų13576%0.75580%0.799SS**  trans-18124.1158.552.70000118.6
556E29.6Very low27.6Very low195 Ų195135.5 Ų135.591%0.91180%0.803SS**  trans-139.2118.4135.8-73.6-163.715700109.5S558E556-S558 PolarHBondContact O-N 3.32Å
557V25.4Very low28.1Very low139 Ų139139.5 Ų139.584%0.84281%0.805SS**  trans-79.8100.7177-95.60000108.6
558S28.1Very low28.8Very low101 Ų101135.3 Ų135.371%0.70679%0.789SS**  trans-82.2117.4173.163.80000110.8E556 D560E556-S558 PolarHBondContact O-N 3.32Å; S558-D560 PolarHBondContact O-N 3.43Å; S558-D560 VanDerWaalsContact O-N 3.08Å
559F22.8Very low29.8Very low198 Ų198133.7 Ų133.787%0.86879%0.787SS**  trans-67.495.8170.7-99.4-103.9000110.4S561F559-S561 PolarHBondContact O-N 3.23Å; F559-S561 VanDerWaalsContact O-N 3.09Å
560D28.8Very low31.3Very low145 Ų145135.2 Ų135.278%0.77578%0.78SS**  trans-7695.1168.9-87.4-29.1000110.2S558 K562S558-D560 PolarHBondContact O-N 3.43Å; S558-D560 VanDerWaalsContact O-N 3.08Å; D560-K562 PolarHBondContact O-N 3.32Å
561S26.2Very low33.4Very low110 Ų110132.1 Ų132.177%0.76976%0.757SS**  trans-67.696.4168.3-64.60000109.2F559 S563F559-S561 PolarHBondContact O-N 3.23Å; F559-S561 VanDerWaalsContact O-N 3.09Å; S561-S563 VanDerWaalsContact C-N 3.33Å; S561-S563 PolarHBondContact O-N 2.61Å
562K26Very low35.8Very low194 Ų194134.8 Ų134.884%0.84376%0.758SS**  trans-64.688.5172.5-73.2179.3178.1174.30110.2D560 L564D560-K562 PolarHBondContact O-N 3.32Å; K562-L564 PolarHBondContact O-N 3.12Å
563S24.9Very low38.4Very low116 Ų116127.5 Ų127.581%0.81172%0.719SS**  trans-64.3118.1162.5170.70000109S561 G565S561-S563 VanDerWaalsContact C-N 3.33Å; S561-S563 PolarHBondContact O-N 2.61Å; S563-G565 PolarHBondContact O-N 3.08Å
564L24.9Very low41.2Very low174 Ų174124.6 Ų124.691%0.91170%0.698SS**  trans-7858.5-174.3-144.688.2000110.7K562 S566K562-L564 PolarHBondContact O-N 3.12Å; L564-S566 PolarHBondContact O-N 2.9Å
565G28.5Very low43.7Very low52 Ų52120 Ų12054%0.53667%0.667SS.*  trans-72.6117.517100000109.9S563 K567S563-G565 PolarHBondContact O-N 3.08Å; G565-K567 PolarHBondContact O-N 2.82Å
566S33Very low46.4Very low127 Ų127123.7 Ų123.789%0.88866%0.664SS**  trans-56.293.8173.7-178.60000110.4L564 G568L564-S566 PolarHBondContact O-N 2.9Å; S566-G568 VanDerWaalsContact C-N 3.35Å; S566-G568 PolarHBondContact O-N 3.08Å; S566-G568 VanDerWaalsContact O-N 3.12Å
567K39Very low48.9Very low206 Ų206115.5 Ų115.590%0.89663%0.628SS**  trans-82.481.6175.1-73.2-178.7176.8176.50108.6G565G565-K567 PolarHBondContact O-N 2.82Å
568G43.4Very low51.4Low45 Ų45118.8 Ų118.846%0.46463%0.631SS.*  trans-54.8151.6161.300000110.3S566 R570S566-G568 VanDerWaalsContact C-N 3.35Å; S566-G568 PolarHBondContact O-N 3.08Å; S566-G568 VanDerWaalsContact O-N 3.12Å; G568-R570 PolarHBondContact O-N 2.69Å
569P50.1Low53.9Low131 Ų131120.3 Ų120.385%0.85163%0.631SS**  trans-63.3101.217725.2-31.8000109.9M571P569-M571 PolarHBondContact O-N 2.93Å
570R60.8Low56.8Low154 Ų154113 Ų11358%0.58160%0.604SS**PPolyproline II helixtrans-63.8121.9175-74.5-176.7171.2168.5-1.6110.1G568 K572 N586G568-R570 PolarHBondContact O-N 2.69Å; R570-K572 PolarHBondContact O-N 3.31Å; R570-N586 PolarHBondContact NE-OXT 2.9Å; R570-N586 PolarHBondContact NH2-OXT 3.04Å
571M70.6Confident59.3Low65 Ų65109.5 Ų109.532%0.3258%0.58SS.*PPolyproline II helixtrans-66.2123.9175.3-65177.568.100110T430 T432 P569 C573 Y583 L584T430-M571 HydrophobicContact CG2-CG 4.4Å; T430-M571 HydrophobicContact CG2-SD 4.31Å; T430-M571 WeakPolarHBondContact O-CE 3.22Å; T432-M571 HydrophobicContact CG2-SD 4.08Å; P569-M571 PolarHBondContact O-N 2.93Å; M571-C573 PolarHBondContact O-N 2.88Å; M571-Y583 CarbonylContact O-C 3.54Å; M571-Y583 WeakPolarHBondContact O-CA 3.44Å; M571-L584 HydrophobicContact CB-CB 4.27Å; M571-L584 HydrophobicContact CB-CD1 3.79Å; M571-L584 HydrophobicContact CE-CD1 3.94Å; M571-L584 PolarHBondContact O-N 3.44Å
572K79.5Confident61.8Low162 Ų162106.1 Ų106.170%0.70456%0.562SS**BIsolated β-bridgetrans-63.9131.3-179.2-175.5177.8-179.8178.10111R570 G582R570-K572 PolarHBondContact O-N 3.31Å; K572-G582 WeakPolarHBondContact CA-O 3.41Å
573C84.3Confident64.1Low9 Ų999.4 Ų99.46%0.06153%0.532CS..PPolyproline II helixtrans-76.5130.9174-177.80000111.3H461 M571 C575 G582H461-C573 VanDerWaalsContact CD2-SG 3.53Å; M571-C573 PolarHBondContact O-N 2.88Å; C573-C575 PolarHBondContact SG-N 3.43Å; C573-C575 PolarHBondContact SG-SG 3.09Å; C573-G582 PolarHBondContact N-O 3Å
574L84.6Confident66.2Low69 Ų6995.4 Ų95.436%0.36150%0.501SS..  trans-108.316.5179.7-58.9179.5000112.8D389 R390 R576D389-L574 WeakPolarHBondContact O-CD1 3.34Å; R390-L574 HydrophobicContact CG-CB 3.77Å; R390-L574 HydrophobicContact CG-CD1 4.19Å; L574-R576 VanDerWaalsContact C-N 3.26Å; L574-R576 PolarHBondContact O-N 3.25Å
575C82.5Confident68Low21 Ų2190.2 Ų90.214%0.14248%0.477CS..  trans-69.7-20.9-17677.10000114C573 S577 C580C573-C575 PolarHBondContact SG-N 3.43Å; C573-C575 PolarHBondContact SG-SG 3.09Å; C575-S577 PolarHBondContact O-N 3.32Å; C575-S577 PolarHBondContact SG-N 3.13Å; C575-C580 VanDerWaalsContact SG-SG 3.67Å
576R82.2Confident69.2Low185 Ų18594 Ų9470%0.69849%0.485SS*.  trans58.116.1179.8-52.3170.2-172.9-155.6-1.2114.6D389 L574D389-R576 IonicContact OD1-NH2 3.6Å; D389-R576 IonicContact OD2-CZ 2.78Å; D389-R576 IonicContact OD2-NE 3.65Å; D389-R576 IonicContact OD2-NH2 3.28Å; D389-R576 PolarHBondContact OD2-NH2 3.13Å; L574-R576 VanDerWaalsContact C-N 3.26Å; L574-R576 PolarHBondContact O-N 3.25Å
577S82.1Confident71Confident22 Ų2292.3 Ų92.315%0.15446%0.464CS..  trans-61.2147.3170.1173.90000110.4D464 C575 N579 C580D464-S577 WeakPolarHBondContact CB-OG 3.39Å; C575-S577 PolarHBondContact O-N 3.32Å; C575-S577 PolarHBondContact SG-N 3.13Å; S577-N579 PolarHBondContact O-N 3.25Å; S577-N579 PolarHBondContact OG-N 3.44Å; S577-C580 VanDerWaalsContact O-CB 3.26Å; S577-C580 WeakPolarHBondContact O-CB 3.38Å; S577-C580 PolarHBondContact O-N 2.94Å
578K77Confident72.7Confident208 Ų20886.3 Ų86.390%0.90444%0.442SS*.THydrogen-bonded Turntrans-58-33.3174.5-67.2-175.6179.3-178.30111.9
579N79.8Confident74.3Confident133 Ų13388.6 Ų88.671%0.71144%0.44SS*.THydrogen-bonded Turntrans-104.534.8-179-61-14.9000111.5S577 R581S577-N579 PolarHBondContact O-N 3.25Å; S577-N579 PolarHBondContact OG-N 3.44Å; N579-R581 PolarHBondContact O-N 2.84Å
580C83.9Confident75.7Confident44 Ų4486.1 Ų86.130%0.29742%0.416SS..  trans-65.7130.7178.8-1770000111.2C575 S577 G582C575-C580 VanDerWaalsContact SG-SG 3.67Å; S577-C580 VanDerWaalsContact O-CB 3.26Å; S577-C580 WeakPolarHBondContact O-CB 3.38Å; S577-C580 PolarHBondContact O-N 2.94Å; C580-G582 PolarHBondContact O-N 3.46Å; C580-G582 PolarHBondContact SG-N 2.81Å
581R81.4Confident76.7Confident72 Ų7281.9 Ų81.927%0.27241%0.406SS..  trans-71.2-13.4175.1-61.8-176-62.1-104.64.2113.4H461 C463 D501 N579 Y583H461-R581 PolarHBondContact CE1-NH2 3.36Å; C463-R581 PolarHBondContact SG-N 3.47Å; C463-R581 VanDerWaalsContact SG-N 3.37Å; D501-R581 IonicContact OD1-CZ 2.86Å; D501-R581 IonicContact OD1-NH1 3.16Å; D501-R581 IonicContact OD1-NH2 2.76Å; D501-R581 PolarHBondContact OD1-NH2 3.04Å; D501-R581 IonicContact OD2-CZ 2.68Å; D501-R581 IonicContact OD2-NH1 3.49Å; D501-R581 PolarHBondContact OD2-NH1 3.03Å; D501-R581 IonicContact OD2-NH2 3.41Å; D501-R581 PolarHBondContact OD2-NH2 3.08Å; N579-R581 PolarHBondContact O-N 2.84Å; R581-Y583 VanDerWaalsContact C-N 3.34Å; R581-Y583 HydrophobicContact CB-CE1 4.21Å; R581-Y583 VanDerWaalsContact O-CD1 3.26Å; R581-Y583 WeakPolarHBondContact O-CD1 3.34Å; R581-Y583 VanDerWaalsContact O-CE1 3.3Å; R581-Y583 WeakPolarHBondContact O-CE1 3.4Å; R581-Y583 PolarHBondContact O-N 3.38Å
582G80.4Confident77.1Confident39 Ų3983 Ų8340%0.40241%0.412SS..SBendtrans90.1-16.4178.500000115K572 C573 C580K572-G582 WeakPolarHBondContact CA-O 3.41Å; C573-G582 PolarHBondContact N-O 3Å; C580-G582 PolarHBondContact O-N 3.46Å; C580-G582 PolarHBondContact SG-N 2.81Å
583Y73.9Confident76.9Confident54 Ų5477.4 Ų77.421%0.21239%0.391CS..BIsolated β-bridgetrans-134.9154.3179.554.8-92.3000111.8M571 R581 V585 N586M571-Y583 CarbonylContact O-C 3.54Å; M571-Y583 WeakPolarHBondContact O-CA 3.44Å; R581-Y583 VanDerWaalsContact C-N 3.34Å; R581-Y583 HydrophobicContact CB-CE1 4.21Å; R581-Y583 VanDerWaalsContact O-CD1 3.26Å; R581-Y583 WeakPolarHBondContact O-CD1 3.34Å; R581-Y583 VanDerWaalsContact O-CE1 3.3Å; R581-Y583 WeakPolarHBondContact O-CE1 3.4Å; R581-Y583 PolarHBondContact O-N 3.38Å; Y583-V585 VanDerWaalsContact CD2-O 3.32Å; Y583-V585 WeakPolarHBondContact CD2-O 3.37Å; Y583-N586 WeakPolarHBondContact CE2-OD1 3.4Å; Y583-N586 PolarHBondContact OH-OD1 3.37Å
584L67.8Low76.3Confident31 Ų3182.6 Ų82.616%0.16242%0.416CS..SBendtrans-74.9-53.3-176.2-86.1154.8000112.5H461 Y502 M571H461-L584 HydrophobicContact CB-CD2 3.44Å; H461-L584 VanDerWaalsContact CB-CD2 3.44Å; Y502-L584 HydrophobicContact CD2-CD2 4.38Å; Y502-L584 HydrophobicContact CE2-CD2 4.4Å; M571-L584 HydrophobicContact CB-CB 4.27Å; M571-L584 HydrophobicContact CB-CD1 3.79Å; M571-L584 HydrophobicContact CE-CD1 3.94Å; M571-L584 PolarHBondContact O-N 3.44Å
585V64.1Low75.7Confident65 Ų6583.8 Ų83.839%0.39442%0.421SS..  trans-132.6150.7-179-170.20000107.9T432 Y583T432-V585 HydrophobicContact CG2-CG2 4.13Å; Y583-V585 VanDerWaalsContact CD2-O 3.32Å; Y583-V585 WeakPolarHBondContact CD2-O 3.37Å
586N52.7Low75Confident131 Ų13189.5 Ų89.570%0.70145%0.446SS*.  trans-59.60-169.7-89.6-11.3000115.3R570 Y583R570-N586 PolarHBondContact NE-OXT 2.9Å; R570-N586 PolarHBondContact NH2-OXT 3.04Å; Y583-N586 WeakPolarHBondContact CE2-OD1 3.4Å; Y583-N586 PolarHBondContact OH-OD1 3.37Å

Retrieved 586 of 586 residues in 694.8 ms (Link to these results)

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