A0A077ZHJ3_TRITR Loading...

HSP90 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHJ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 506 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
1M32.4Very low54.5Low239 Ų23998.9 Ų98.9100%1.17755%0.546SS*.  031.70-139.7-173.7-61.600112.1G3M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.08Å
2I32.6Very low57.4Low126 Ų12691.8 Ų91.865%0.64651%0.51SS*.  trans-91.222.5-173.4-62.1169.9000111.5Y10I2-Y10 HydrophobicContact CG2-CE2 3.94Å
3G39.8Very low60Low68 Ų6886.6 Ų86.670%0.70148%0.479SS*.SBendtrans-92.7-10.8-158.300000119.2M1M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.08Å
4Q45.5Very low62Low104 Ų10489.3 Ų89.349%0.48649%0.49SS..SBendtrans-141.7-22.1-177.3-81.1-177.1-43.700115.8
5F48Very low64Low169 Ų16985.1 Ų85.174%0.74147%0.468SS*.SBendtrans-120.1-11.7-174.7-61.8-82.4000114.1
6G49.2Very low65.8Low15 Ų1579.8 Ų79.816%0.15544%0.439CS..Hα-helixtrans-73.7-40.9-166.500000114.8G8 F9 Y10G6-G8 VanDerWaalsContact C-N 3.32Å; G6-G8 PolarHBondContact O-N 3.29Å; G6-F9 PolarHBondContact O-N 2.93Å; G6-Y10 WeakPolarHBondContact O-CD2 3.41Å; G6-Y10 PolarHBondContact O-N 3.25Å
7V53.3Low67.5Low100 Ų10079.4 Ų79.461%0.60644%0.436SS*.Hα-helixtrans-61.9-37.2-172.1-95.10000113.2S11 F139V7-S11 PolarHBondContact O-N 2.95Å; V7-F139 HydrophobicContact CG2-CD2 4.08Å; V7-F139 HydrophobicContact CG2-CE1 4.37Å; V7-F139 HydrophobicContact CG2-CE2 3.55Å; V7-F139 HydrophobicContact CG2-CZ 3.72Å
8G66.8Low69.1Low34 Ų3478.6 Ų78.635%0.35143%0.428SS..Hα-helixtrans-64.1-48.1175.300000112.2G6 S11G6-G8 VanDerWaalsContact C-N 3.32Å; G6-G8 PolarHBondContact O-N 3.29Å; G8-S11 WeakPolarHBondContact O-CB 3.43Å; G8-S11 PolarHBondContact O-N 3.49Å; G8-S11 PolarHBondContact O-OG 2.78Å
9F75.2Confident70.5Confident61 Ų6174.5 Ų74.527%0.26841%0.405SS..Hα-helixtrans-65.3-41.2177.8178-102.7000112.4G6 S11 A12 F13 V19 V21 W36G6-F9 PolarHBondContact O-N 2.93Å; F9-S11 PolarHBondContact O-N 2.92Å; F9-A12 WeakPolarHBondContact O-CB 3.46Å; F9-A12 PolarHBondContact O-N 2.74Å; F9-F13 HydrophobicContact CE1-CE2 4.34Å; F9-V19 HydrophobicContact CE2-CG1 3.88Å; F9-V19 HydrophobicContact CZ-CB 4.43Å; F9-V19 HydrophobicContact CZ-CG1 3.65Å; F9-V21 HydrophobicContact CE2-CG2 3.79Å; F9-V21 HydrophobicContact CZ-CG2 3.85Å; F9-W36 AromaticContact CE1-CH2 3.57Å; F9-W36 HydrophobicContact CE1-CH2 3.57Å; F9-W36 HydrophobicContact CE1-CZ2 4.33Å; F9-W36 AromaticContact CE1-CZ3 3.75Å; F9-W36 HydrophobicContact CE1-CZ3 3.75Å; F9-W36 HydrophobicContact CZ-CE3 4.11Å; F9-W36 AromaticContact CZ-CH2 3.83Å; F9-W36 HydrophobicContact CZ-CH2 3.83Å; F9-W36 AromaticContact CZ-CZ3 3.47Å; F9-W36 HydrophobicContact CZ-CZ3 3.47Å; F9-W36 VanDerWaalsContact CZ-CZ3 3.47Å
10Y74.8Confident71.8Confident107 Ų10771.4 Ų71.442%0.4239%0.389SS..Hα-helixtrans-66.8-19.8179.2-68.5-57.8000113.7I2 G6 A12 F13I2-Y10 HydrophobicContact CG2-CE2 3.94Å; G6-Y10 WeakPolarHBondContact O-CD2 3.41Å; G6-Y10 PolarHBondContact O-N 3.25Å; Y10-A12 PolarHBondContact O-N 2.78Å; Y10-A12 VanDerWaalsContact O-N 3.14Å; Y10-F13 AromaticContact CD1-CD2 3.93Å; Y10-F13 HydrophobicContact CD1-CD2 3.93Å; Y10-F13 AromaticContact CD1-CE2 3.99Å; Y10-F13 HydrophobicContact CD1-CE2 3.99Å; Y10-F13 HydrophobicContact CE1-CE2 4.46Å; Y10-F13 PolarHBondContact O-N 2.89Å
11S82.2Confident73Confident65 Ų6569 Ų6946%0.45538%0.376SS..THydrogen-bonded Turntrans-58.1-24.3171.175.30000112.5V7 G8 F9 F13 I14V7-S11 PolarHBondContact O-N 2.95Å; G8-S11 WeakPolarHBondContact O-CB 3.43Å; G8-S11 PolarHBondContact O-N 3.49Å; G8-S11 PolarHBondContact O-OG 2.78Å; F9-S11 PolarHBondContact O-N 2.92Å; S11-F13 PolarHBondContact O-N 3.23Å; S11-I14 WeakPolarHBondContact O-CB 3.4Å; S11-I14 WeakPolarHBondContact O-CG1 3.32Å; S11-I14 PolarHBondContact O-N 2.78Å; S11-I14 VanDerWaalsContact O-N 3.09Å
12A89Confident76Confident14 Ų1462.1 Ų62.112%0.11634%0.337CS..Hα-helixtrans-58.2-35.9173.200000112.7F9 Y10 I14 V15 A16 V19 L60F9-A12 WeakPolarHBondContact O-CB 3.46Å; F9-A12 PolarHBondContact O-N 2.74Å; Y10-A12 PolarHBondContact O-N 2.78Å; Y10-A12 VanDerWaalsContact O-N 3.14Å; A12-I14 PolarHBondContact O-N 2.97Å; A12-V15 WeakPolarHBondContact O-CG2 3.48Å; A12-V15 PolarHBondContact O-N 2.85Å; A12-A16 VanDerWaalsContact O-CB 3.25Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.02Å; A12-V19 HydrophobicContact CB-CG2 3.95Å; A12-L60 HydrophobicContact CB-CD1 4.5Å; A12-L60 HydrophobicContact CB-CD2 3.71Å
13F90.7Very high79.1Confident24 Ų2458.2 Ų58.211%0.10532%0.319CS..Hα-helixtrans-71.1-11.1179.4-72-72.6000114.1F9 Y10 S11 V15 A16 V19 W36 S38 A39 R63F9-F13 HydrophobicContact CE1-CE2 4.34Å; Y10-F13 AromaticContact CD1-CD2 3.93Å; Y10-F13 HydrophobicContact CD1-CD2 3.93Å; Y10-F13 AromaticContact CD1-CE2 3.99Å; Y10-F13 HydrophobicContact CD1-CE2 3.99Å; Y10-F13 HydrophobicContact CE1-CE2 4.46Å; Y10-F13 PolarHBondContact O-N 2.89Å; S11-F13 PolarHBondContact O-N 3.23Å; F13-V15 VanDerWaalsContact C-N 3.27Å; F13-A16 CarbonylContact C-O 3.4Å; F13-A16 WeakPolarHBondContact CA-O 3.13Å; F13-A16 VanDerWaalsContact O-O 3.12Å; F13-V19 HydrophobicContact CD1-CG2 4.05Å; F13-V19 HydrophobicContact CD2-CG2 4.48Å; F13-V19 HydrophobicContact CE1-CB 4.16Å; F13-V19 HydrophobicContact CE1-CG2 3.69Å; F13-V19 HydrophobicContact CE2-CG2 4.17Å; F13-V19 HydrophobicContact CG-CG2 4.43Å; F13-V19 HydrophobicContact CZ-CB 3.93Å; F13-V19 HydrophobicContact CZ-CG2 3.75Å; F13-W36 HydrophobicContact CE2-CH2 4.29Å; F13-W36 AromaticContact CZ-CH2 3.99Å; F13-W36 HydrophobicContact CZ-CH2 3.99Å; F13-S38 VanDerWaalsContact CE1-O 3.32Å; F13-S38 WeakPolarHBondContact CE1-O 3.24Å; F13-A39 VanDerWaalsContact CE1-C 3.44Å; F13-R63 PolarHBondContact O-NE 3.5Å; F13-R63 PolarHBondContact O-NH2 2.68Å; F13-R63 VanDerWaalsContact O-NH2 3.12Å
14I88.8Confident81.8Confident124 Ų12456.5 Ų56.564%0.63629%0.292SS*.Hα-helixtrans-63-41.2171.5-61174.2000109.3S11 A12S11-I14 WeakPolarHBondContact O-CB 3.4Å; S11-I14 WeakPolarHBondContact O-CG1 3.32Å; S11-I14 PolarHBondContact O-N 2.78Å; S11-I14 VanDerWaalsContact O-N 3.09Å; A12-I14 PolarHBondContact O-N 2.97Å
15V91.2Very high84.1Confident26 Ų2654.4 Ų54.416%0.15829%0.292CS..Hα-helixtrans-106.3-16.5-176.2-58.40000113.4A12 F13 L60 L62 R63 E66 F69A12-V15 WeakPolarHBondContact O-CG2 3.48Å; A12-V15 PolarHBondContact O-N 2.85Å; F13-V15 VanDerWaalsContact C-N 3.27Å; V15-L60 HydrophobicContact CG2-CD1 4.33Å; V15-L62 HydrophobicContact CB-CD2 4.35Å; V15-L62 HydrophobicContact CG2-CD2 4.15Å; V15-L62 WeakPolarHBondContact O-CA 3.4Å; V15-R63 PolarHBondContact O-N 2.78Å; V15-E66 HydrophobicContact CB-CB 4.45Å; V15-E66 HydrophobicContact CB-CG 4.41Å; V15-F69 HydrophobicContact CB-CD2 4.08Å; V15-F69 HydrophobicContact CB-CE2 4.06Å; V15-F69 HydrophobicContact CG1-CD2 3.92Å; V15-F69 HydrophobicContact CG1-CE2 3.39Å; V15-F69 HydrophobicContact CG1-CZ 3.88Å
16A94Very high86.2Confident0 Ų050.1 Ų50.10%029%0.288CS..EExtended strand (participates in β ladder)trans-115.1138.1-176.700000112.9A12 F13 V19 L60 H61 R63A12-A16 VanDerWaalsContact O-CB 3.25Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.02Å; F13-A16 CarbonylContact C-O 3.4Å; F13-A16 WeakPolarHBondContact CA-O 3.13Å; F13-A16 VanDerWaalsContact O-O 3.12Å; A16-V19 HydrophobicContact CB-CG2 4.12Å; A16-L60 HydrophobicContact CB-CB 4.05Å; A16-L60 HydrophobicContact CB-CD2 4.45Å; A16-H61 CarbonylContact C-O 3.44Å; A16-H61 WeakPolarHBondContact CA-O 3.35Å; A16-H61 VanDerWaalsContact CB-O 3.24Å; A16-H61 WeakPolarHBondContact CB-O 3.37Å; A16-R63 VanDerWaalsContact C-CG 3.45Å; A16-R63 VanDerWaalsContact O-CZ 3.25Å; A16-R63 PolarHBondContact O-NE 2.96Å; A16-R63 VanDerWaalsContact O-NE 3.08Å; A16-R63 PolarHBondContact O-NH2 3.39Å
17D94.5Very high88.2Confident74 Ų7453.6 Ų53.640%0.39632%0.324SS..EExtended strand (participates in β ladder)trans-80.6-24170.765.9-0.2000111.8A39 H61 R63D17-A39 CarbonylContact O-C 3.42Å; D17-A39 WeakPolarHBondContact O-CA 3.29Å; D17-A39 VanDerWaalsContact O-O 3.13Å; D17-H61 PolarHBondContact N-O 2.9Å; D17-H61 WeakPolarHBondContact OD1-CB 3.13Å; D17-R63 HydrophobicContact CB-CG 3.95Å; D17-R63 VanDerWaalsContact N-CG 3.3Å
18K95.4Very high90.1Very high65 Ų6553.3 Ų53.328%0.28332%0.316SS..EExtended strand (participates in β ladder)trans-146.3141.4179.4-171178.869.7148.30110.2E37 S38 H61K18-E37 HydrophobicContact CD-CG 3.9Å; K18-E37 WeakPolarHBondContact CD-OE2 3.49Å; K18-E37 WeakPolarHBondContact CE-OE2 3.35Å; K18-E37 HydrophobicContact CG-CG 3.87Å; K18-E37 IonicContact NZ-OE2 2.67Å; K18-E37 PolarHBondContact NZ-OE2 3.38Å; K18-S38 WeakPolarHBondContact CA-O 3.37Å; K18-H61 HydrophobicContact CB-CB 3.95Å; K18-H61 WeakPolarHBondContact CE-CD2 3.35Å; K18-H61 WeakPolarHBondContact CE-NE2 3.13Å; K18-H61 WeakPolarHBondContact O-CB 3.37Å; K18-H61 PolarHBondContact O-CD2 3.08Å; K18-H61 VanDerWaalsContact O-CD2 3.28Å; K18-H61 PolarHBondContact O-N 2.84Å
19V95.6Very high91.5Very high0 Ų058.3 Ų58.30%033%0.328CS..EExtended strand (participates in β ladder)trans-122.3128175.9-179.20000108.6F9 A12 F13 A16 V21 W36 E37 S38 I58 L60F9-V19 HydrophobicContact CE2-CG1 3.88Å; F9-V19 HydrophobicContact CZ-CB 4.43Å; F9-V19 HydrophobicContact CZ-CG1 3.65Å; A12-V19 HydrophobicContact CB-CG2 3.95Å; F13-V19 HydrophobicContact CD1-CG2 4.05Å; F13-V19 HydrophobicContact CD2-CG2 4.48Å; F13-V19 HydrophobicContact CE1-CB 4.16Å; F13-V19 HydrophobicContact CE1-CG2 3.69Å; F13-V19 HydrophobicContact CE2-CG2 4.17Å; F13-V19 HydrophobicContact CG-CG2 4.43Å; F13-V19 HydrophobicContact CZ-CB 3.93Å; F13-V19 HydrophobicContact CZ-CG2 3.75Å; A16-V19 HydrophobicContact CB-CG2 4.12Å; V19-V21 HydrophobicContact CG1-CG2 4.27Å; V19-W36 HydrophobicContact CB-CZ3 4.11Å; V19-W36 HydrophobicContact CG1-CZ3 4.2Å; V19-W36 WeakPolarHBondContact O-CZ3 3.24Å; V19-E37 WeakPolarHBondContact O-CA 3.43Å; V19-S38 PolarHBondContact N-O 3.12Å; V19-S38 PolarHBondContact O-N 2.99Å; V19-S38 VanDerWaalsContact O-N 3.11Å; V19-I58 HydrophobicContact CG1-CG2 3.98Å; V19-L60 HydrophobicContact CG1-CD2 4.01Å; V19-L60 HydrophobicContact CG2-CD2 3.9Å
20T96.9Very high92.5Very high12 Ų1257 Ų577%0.07433%0.325CS..EExtended strand (participates in β ladder)trans-112.2131.6174.7-53.90000109.1R22 F35 W36 E37 I58 T59 H61T20-R22 HydrophobicContact CG2-CG 4.49Å; T20-F35 HydrophobicContact CG2-CD2 4Å; T20-F35 HydrophobicContact CG2-CE2 3.29Å; T20-F35 HydrophobicContact CG2-CZ 3.97Å; T20-W36 CarbonylContact C-O 3.53Å; T20-W36 WeakPolarHBondContact CA-O 3.15Å; T20-E37 PolarHBondContact OG1-OE2 2.89Å; T20-I58 CarbonylContact O-C 3.57Å; T20-I58 WeakPolarHBondContact O-CA 3.24Å; T20-T59 PolarHBondContact N-O 2.79Å; T20-T59 PolarHBondContact O-N 3.14Å; T20-H61 PolarHBondContact OG1-NE2 2.85Å
21V96.1Very high93.4Very high21 Ų2157.1 Ų57.113%0.12733%0.33CS..EExtended strand (participates in β ladder)trans-122.6128.2176.8-178.70000109F9 V19 F35 W36 T56 E57 I58F9-V21 HydrophobicContact CE2-CG2 3.79Å; F9-V21 HydrophobicContact CZ-CG2 3.85Å; V19-V21 HydrophobicContact CG1-CG2 4.27Å; V21-F35 CarbonylContact O-C 3.57Å; V21-F35 WeakPolarHBondContact O-CA 3.36Å; V21-W36 HydrophobicContact CB-CB 4.31Å; V21-W36 HydrophobicContact CB-CE3 4.37Å; V21-W36 HydrophobicContact CG2-CE3 3.91Å; V21-W36 HydrophobicContact CG2-CZ3 4.42Å; V21-W36 PolarHBondContact N-O 3.43Å; V21-W36 PolarHBondContact O-N 2.96Å; V21-T56 HydrophobicContact CG1-CG2 3.76Å; V21-E57 WeakPolarHBondContact CA-O 3.1Å; V21-I58 HydrophobicContact CG2-CG1 4.36Å
22R97.2Very high94.1Very high95 Ų9557.8 Ų57.836%0.35833%0.328SS..EExtended strand (participates in β ladder)trans-123.4112.9173.2-61.8176.967.9167.11.2108.3T20 V34 F35 I49 K51 T56 E57T20-R22 HydrophobicContact CG2-CG 4.49Å; R22-V34 WeakPolarHBondContact CA-O 3.41Å; R22-F35 HydrophobicContact CG-CD2 4.03Å; R22-I49 HydrophobicContact CB-CD1 3.83Å; R22-I49 HydrophobicContact CG-CD1 3.85Å; R22-K51 HydrophobicContact CB-CD 4.42Å; R22-K51 VanDerWaalsContact O-CE 3.29Å; R22-K51 WeakPolarHBondContact O-CE 3.25Å; R22-T56 WeakPolarHBondContact O-CA 3.32Å; R22-E57 HydrophobicContact CB-CB 4.32Å; R22-E57 PolarHBondContact N-O 2.82Å; R22-E57 PolarHBondContact O-N 3.09Å
23T96.9Very high94.4Very high44 Ų4457.1 Ų57.127%0.2732%0.323SS..EExtended strand (participates in β ladder)trans-129.2144.7-174.6-168.80000112.5G33 V34 G55 T56T23-G33 CarbonylContact O-C 3.51Å; T23-G33 WeakPolarHBondContact O-CA 3.5Å; T23-V34 HydrophobicContact CG2-CB 4.16Å; T23-V34 PolarHBondContact N-O 2.91Å; T23-V34 PolarHBondContact O-N 2.91Å; T23-G55 WeakPolarHBondContact CA-O 3.33Å; T23-T56 PolarHBondContact OG1-OG1 2.65Å
24R95.9Very high94.7Very high32 Ų3258.7 Ų58.712%0.12133%0.334CS..EExtended strand (participates in β ladder)trans-135.6120.3167.1-174.6-172.672.7-1734.2109.3E28 K51 E52 D53 G55R24-E28 HydrophobicContact CG-CB 4.21Å; R24-K51 HydrophobicContact CB-CB 4.31Å; R24-K51 HydrophobicContact CB-CD 4.07Å; R24-K51 WeakPolarHBondContact CD-O 3.45Å; R24-K51 PolarHBondContact NH1-O 2.94Å; R24-E52 PolarHBondContact NH1-O 2.76Å; R24-E52 PolarHBondContact NH2-O 2.86Å; R24-D53 VanDerWaalsContact CZ-C 3.43Å; R24-D53 PolarHBondContact NE-O 2.9Å; R24-G55 PolarHBondContact N-O 2.85Å; R24-G55 PolarHBondContact O-N 2.82Å
25A93.6Very high95.1Very high61 Ų6154.7 Ų54.750%0.50431%0.312SS..  trans-62.3149.8176.300000111.5G27 E28A25-G27 PolarHBondContact O-N 3.26Å; A25-E28 HydrophobicContact CB-CB 4.5Å; A25-E28 HydrophobicContact CB-CG 3.94Å; A25-E28 PolarHBondContact O-N 3.47Å
26A92.7Very high95.3Very high79 Ų7955.9 Ų55.965%0.65331%0.314SS*.THydrogen-bonded Turntrans-66.7129.9174.900000110.1
27G92.2Very high95.4Very high87 Ų8758.3 Ų58.390%0.89733%0.325SS*.THydrogen-bonded Turntrans94.5-14.7-177.800000114.3A25A25-G27 PolarHBondContact O-N 3.26Å
28E93.5Very high95.4Very high95 Ų9555.3 Ų55.344%0.44431%0.31SS..SBendtrans-78.2152.1171.8-72.6-62.2158.300111.8R24 A25 N32R24-E28 HydrophobicContact CG-CB 4.21Å; A25-E28 HydrophobicContact CB-CB 4.5Å; A25-E28 HydrophobicContact CB-CG 3.94Å; A25-E28 PolarHBondContact O-N 3.47Å; E28-N32 HydrophobicContact CB-CB 4.23Å; E28-N32 PolarHBondContact OE2-ND2 3.08Å
29K95.5Very high95.3Very high139 Ų13954.1 Ų54.160%0.60431%0.312SS*.  trans-73.3155.3177.5-58.3-178.7178.8174.20111E31 N32K29-E31 WeakPolarHBondContact CB-OE2 3.41Å; K29-E31 PolarHBondContact O-N 2.75Å; K29-E31 VanDerWaalsContact O-N 3.1Å; K29-N32 PolarHBondContact O-N 2.7Å
30P95.1Very high94.9Very high32 Ų3256.2 Ų56.221%0.20833%0.334CS..G310 helixtrans-51.5-33.6178.2-27.234.6000114.6N32 T50 K51P30-N32 VanDerWaalsContact C-N 3.26Å; P30-N32 PolarHBondContact O-N 3.04Å; P30-T50 HydrophobicContact CB-CG2 4.17Å; P30-T50 CarbonylContact O-C 3.56Å; P30-T50 VanDerWaalsContact O-CA 3.29Å; P30-T50 WeakPolarHBondContact O-CA 3.49Å; P30-K51 WeakPolarHBondContact CA-O 3.47Å; P30-K51 PolarHBondContact O-N 3.11Å
31E95.4Very high94.3Very high110 Ų11064.1 Ų64.151%0.51437%0.37SS..G310 helixtrans-75.9-12.3-177.8-49.479.5-170.400113.6K29 G33K29-E31 WeakPolarHBondContact CB-OE2 3.41Å; K29-E31 PolarHBondContact O-N 2.75Å; K29-E31 VanDerWaalsContact O-N 3.1Å; E31-G33 VanDerWaalsContact C-N 3.3Å
32N95.2Very high93.8Very high80 Ų8066.5 Ų66.543%0.42840%0.399SS..G310 helixtrans-95.824.5179.2-64.4-12000111.9E28 K29 P30E28-N32 HydrophobicContact CB-CB 4.23Å; E28-N32 PolarHBondContact OE2-ND2 3.08Å; K29-N32 PolarHBondContact O-N 2.7Å; P30-N32 VanDerWaalsContact C-N 3.26Å; P30-N32 PolarHBondContact O-N 3.04Å
33G95.9Very high93.5Very high0 Ų070 Ų700%042%0.419CS..EExtended strand (participates in β ladder)trans-70.5149.1172.300000110.8T23 E31 D48 I49T23-G33 CarbonylContact O-C 3.51Å; T23-G33 WeakPolarHBondContact O-CA 3.5Å; E31-G33 VanDerWaalsContact C-N 3.3Å; G33-D48 WeakPolarHBondContact O-CA 3.49Å; G33-I49 CarbonylContact C-O 3.54Å; G33-I49 WeakPolarHBondContact CA-O 3.29Å; G33-I49 PolarHBondContact N-O 2.91Å; G33-I49 PolarHBondContact O-N 3.04Å; G33-I49 VanDerWaalsContact O-O 3.12Å
34V96.5Very high93.3Very high57 Ų5775.3 Ų75.335%0.34544%0.436SS..EExtended strand (participates in β ladder)trans-117.5131.8178.2-1770000109.4R22 T23 V46R22-V34 WeakPolarHBondContact CA-O 3.41Å; T23-V34 HydrophobicContact CG2-CB 4.16Å; T23-V34 PolarHBondContact N-O 2.91Å; T23-V34 PolarHBondContact O-N 2.91Å; V34-V46 HydrophobicContact CG1-CG1 4.02Å
35F97.2Very high93.2Very high40 Ų4077.5 Ų77.518%0.17545%0.453CS..EExtended strand (participates in β ladder)trans-103.9134.9170.8172.9-91.3000109.4T20 V21 R22 E37 T45 V46 A47 I49T20-F35 HydrophobicContact CG2-CD2 4Å; T20-F35 HydrophobicContact CG2-CE2 3.29Å; T20-F35 HydrophobicContact CG2-CZ 3.97Å; V21-F35 CarbonylContact O-C 3.57Å; V21-F35 WeakPolarHBondContact O-CA 3.36Å; R22-F35 HydrophobicContact CG-CD2 4.03Å; F35-E37 HydrophobicContact CE1-CB 3.55Å; F35-E37 HydrophobicContact CZ-CB 3.52Å; F35-E37 HydrophobicContact CZ-CG 4.32Å; F35-T45 HydrophobicContact CE1-CG2 4.45Å; F35-V46 VanDerWaalsContact O-CA 3.28Å; F35-V46 WeakPolarHBondContact O-CA 3.37Å; F35-A47 HydrophobicContact CB-CB 4.36Å; F35-A47 WeakPolarHBondContact CB-O 3.5Å; F35-A47 HydrophobicContact CD1-CB 4.23Å; F35-A47 PolarHBondContact N-O 3.37Å; F35-A47 PolarHBondContact O-N 3.45Å; F35-I49 HydrophobicContact CB-CB 4.43Å; F35-I49 HydrophobicContact CB-CD1 4.05Å; F35-I49 HydrophobicContact CB-CG1 4.08Å; F35-I49 HydrophobicContact CB-CG2 3.53Å; F35-I49 HydrophobicContact CG-CG2 4.35Å
36W96.4Very high93.3Very high51 Ų5178.6 Ų78.619%0.19345%0.453CS..EExtended strand (participates in β ladder)trans-131.4137.8168.8178.599.4000109.3F9 F13 V19 T20 V21 Y44 T45F9-W36 AromaticContact CE1-CH2 3.57Å; F9-W36 HydrophobicContact CE1-CH2 3.57Å; F9-W36 HydrophobicContact CE1-CZ2 4.33Å; F9-W36 AromaticContact CE1-CZ3 3.75Å; F9-W36 HydrophobicContact CE1-CZ3 3.75Å; F9-W36 HydrophobicContact CZ-CE3 4.11Å; F9-W36 AromaticContact CZ-CH2 3.83Å; F9-W36 HydrophobicContact CZ-CH2 3.83Å; F9-W36 AromaticContact CZ-CZ3 3.47Å; F9-W36 HydrophobicContact CZ-CZ3 3.47Å; F9-W36 VanDerWaalsContact CZ-CZ3 3.47Å; F13-W36 HydrophobicContact CE2-CH2 4.29Å; F13-W36 AromaticContact CZ-CH2 3.99Å; F13-W36 HydrophobicContact CZ-CH2 3.99Å; V19-W36 HydrophobicContact CB-CZ3 4.11Å; V19-W36 HydrophobicContact CG1-CZ3 4.2Å; V19-W36 WeakPolarHBondContact O-CZ3 3.24Å; T20-W36 CarbonylContact C-O 3.53Å; T20-W36 WeakPolarHBondContact CA-O 3.15Å; V21-W36 HydrophobicContact CB-CB 4.31Å; V21-W36 HydrophobicContact CB-CE3 4.37Å; V21-W36 HydrophobicContact CG2-CE3 3.91Å; V21-W36 HydrophobicContact CG2-CZ3 4.42Å; V21-W36 PolarHBondContact N-O 3.43Å; V21-W36 PolarHBondContact O-N 2.96Å; W36-Y44 AromaticContact CD1-CD2 3.76Å; W36-Y44 AromaticContact NE1-CD2 3.36Å; W36-Y44 AromaticContact NE1-CG 3.52Å; W36-T45 CarbonylContact C-O 3.51Å; W36-T45 VanDerWaalsContact CA-O 3.28Å; W36-T45 WeakPolarHBondContact CA-O 3.47Å
37E96Very high93.4Very high50 Ų5076.7 Ų76.723%0.23444%0.437CS..EExtended strand (participates in β ladder)trans-141.2139.5174.2-177.6177.773.200110.7K18 V19 T20 F35 Y44 T45K18-E37 HydrophobicContact CD-CG 3.9Å; K18-E37 WeakPolarHBondContact CD-OE2 3.49Å; K18-E37 WeakPolarHBondContact CE-OE2 3.35Å; K18-E37 HydrophobicContact CG-CG 3.87Å; K18-E37 IonicContact NZ-OE2 2.67Å; K18-E37 PolarHBondContact NZ-OE2 3.38Å; V19-E37 WeakPolarHBondContact O-CA 3.43Å; T20-E37 PolarHBondContact OG1-OE2 2.89Å; F35-E37 HydrophobicContact CE1-CB 3.55Å; F35-E37 HydrophobicContact CZ-CB 3.52Å; F35-E37 HydrophobicContact CZ-CG 4.32Å; E37-Y44 CarbonylContact O-C 3.59Å; E37-Y44 VanDerWaalsContact O-CA 3.24Å; E37-Y44 WeakPolarHBondContact O-CA 3.28Å; E37-Y44 WeakPolarHBondContact O-CB 3.36Å; E37-T45 PolarHBondContact N-O 3.41Å; E37-T45 PolarHBondContact O-N 2.76Å
38S94.7Very high93.6Very high12 Ų1279.3 Ų79.38%0.08443%0.431CS..EExtended strand (participates in β ladder)trans-151.1149.7172.7-176.80000111.2F13 K18 V19 G40 E43F13-S38 VanDerWaalsContact CE1-O 3.32Å; F13-S38 WeakPolarHBondContact CE1-O 3.24Å; K18-S38 WeakPolarHBondContact CA-O 3.37Å; V19-S38 PolarHBondContact N-O 3.12Å; V19-S38 PolarHBondContact O-N 2.99Å; V19-S38 VanDerWaalsContact O-N 3.11Å; S38-G40 PolarHBondContact OG-N 3.02Å; S38-E43 WeakPolarHBondContact CB-O 3.48Å; S38-E43 PolarHBondContact OG-O 2.9Å
39A93.2Very high93.8Very high39 Ų3976.4 Ų76.432%0.32242%0.418SS..  trans-901.2169.100000113.5F13 D17 E41F13-A39 VanDerWaalsContact CE1-C 3.44Å; D17-A39 CarbonylContact O-C 3.42Å; D17-A39 WeakPolarHBondContact O-CA 3.29Å; D17-A39 VanDerWaalsContact O-O 3.13Å; A39-E41 HydrophobicContact CB-CG 4.3Å; A39-E41 PolarHBondContact O-N 2.86Å
40G86.2Confident93.8Very high45 Ų4573.6 Ų73.646%0.46441%0.412SS..SBendtrans77.45.2-17700000114.4S38 G42S38-G40 PolarHBondContact OG-N 3.02Å; G40-G42 VanDerWaalsContact C-N 3.33Å; G40-G42 PolarHBondContact O-N 3.28Å
41E86Confident93.9Very high178 Ų17872.4 Ų72.483%0.83240%0.404SS*.SBendtrans-90.814.4-177.1-58.7-173.3160.700114A39A39-E41 HydrophobicContact CB-CG 4.3Å; A39-E41 PolarHBondContact O-N 2.86Å
42G84.7Confident93.8Very high71 Ų7173.6 Ų73.673%0.73241%0.41SS*.SBendtrans97.8-12.3178.900000114.9G40G40-G42 VanDerWaalsContact C-N 3.33Å; G40-G42 PolarHBondContact O-N 3.28Å
43E90Very high93.8Very high167 Ų16774.3 Ų74.378%0.7841%0.413SS*.  trans-105.8147.4172.7-63.3-172.6176.100111.7S38S38-E43 WeakPolarHBondContact CB-O 3.48Å; S38-E43 PolarHBondContact OG-O 2.9Å
44Y92.8Very high93.8Very high156 Ų15683.1 Ų83.161%0.61245%0.447SS*.EExtended strand (participates in β ladder)trans-147151174.964.7-92.3000110.8W36 E37 V46W36-Y44 AromaticContact CD1-CD2 3.76Å; W36-Y44 AromaticContact NE1-CD2 3.36Å; W36-Y44 AromaticContact NE1-CG 3.52Å; E37-Y44 CarbonylContact O-C 3.59Å; E37-Y44 VanDerWaalsContact O-CA 3.24Å; E37-Y44 WeakPolarHBondContact O-CA 3.28Å; E37-Y44 WeakPolarHBondContact O-CB 3.36Å; Y44-V46 HydrophobicContact CD2-CG2 3.78Å; Y44-V46 HydrophobicContact CE2-CG2 3.75Å
45T94.4Very high93.7Very high79 Ų7982 Ų8249%0.48545%0.446SS..EExtended strand (participates in β ladder)trans-105.7135.7175.4-60.90000109.2F35 W36 E37F35-T45 HydrophobicContact CE1-CG2 4.45Å; W36-T45 CarbonylContact C-O 3.51Å; W36-T45 VanDerWaalsContact CA-O 3.28Å; W36-T45 WeakPolarHBondContact CA-O 3.47Å; E37-T45 PolarHBondContact N-O 3.41Å; E37-T45 PolarHBondContact O-N 2.76Å
46V95.7Very high93.5Very high84 Ų8484.2 Ų84.251%0.50946%0.463SS..EExtended strand (participates in β ladder)trans-121.8134.6168.3179.90000108.5V34 F35 Y44V34-V46 HydrophobicContact CG1-CG1 4.02Å; F35-V46 VanDerWaalsContact O-CA 3.28Å; F35-V46 WeakPolarHBondContact O-CA 3.37Å; Y44-V46 HydrophobicContact CD2-CG2 3.78Å; Y44-V46 HydrophobicContact CE2-CG2 3.75Å
47A95.7Very high93.4Very high39 Ų3985.8 Ų85.832%0.32247%0.473SS..EExtended strand (participates in β ladder)trans-144151.317600000111F35F35-A47 HydrophobicContact CB-CB 4.36Å; F35-A47 WeakPolarHBondContact CB-O 3.5Å; F35-A47 HydrophobicContact CD1-CB 4.23Å; F35-A47 PolarHBondContact N-O 3.37Å; F35-A47 PolarHBondContact O-N 3.45Å
48D96.2Very high93.3Very high141 Ų14187.8 Ų87.875%0.75448%0.484SS*.EExtended strand (participates in β ladder)trans-76136.9166.3-60.2-41.8000109.1G33G33-D48 WeakPolarHBondContact O-CA 3.49Å
49I96.3Very high93.4Very high34 Ų3489.8 Ų89.817%0.17450%0.496CS..EExtended strand (participates in β ladder)trans-135.5154178.457.1161.8000110.8R22 G33 F35 K51R22-I49 HydrophobicContact CB-CD1 3.83Å; R22-I49 HydrophobicContact CG-CD1 3.85Å; G33-I49 CarbonylContact C-O 3.54Å; G33-I49 WeakPolarHBondContact CA-O 3.29Å; G33-I49 PolarHBondContact N-O 2.91Å; G33-I49 PolarHBondContact O-N 3.04Å; G33-I49 VanDerWaalsContact O-O 3.12Å; F35-I49 HydrophobicContact CB-CB 4.43Å; F35-I49 HydrophobicContact CB-CD1 4.05Å; F35-I49 HydrophobicContact CB-CG1 4.08Å; F35-I49 HydrophobicContact CB-CG2 3.53Å; F35-I49 HydrophobicContact CG-CG2 4.35Å; I49-K51 HydrophobicContact CD1-CB 4.48Å
50T96.6Very high93.5Very high80 Ų8091.2 Ų91.249%0.49150%0.498SS..  trans-80.4122.8163.5-51.90000109.6P30P30-T50 HydrophobicContact CB-CG2 4.17Å; P30-T50 CarbonylContact O-C 3.56Å; P30-T50 VanDerWaalsContact O-CA 3.29Å; P30-T50 WeakPolarHBondContact O-CA 3.49Å
51K96.2Very high93.9Very high7 Ų792.3 Ų92.33%0.0349%0.49CS..  trans-129.1110.5173-168.6-176.1-177-54.60109.1R22 R24 P30 I49 D53 G55R22-K51 HydrophobicContact CB-CD 4.42Å; R22-K51 VanDerWaalsContact O-CE 3.29Å; R22-K51 WeakPolarHBondContact O-CE 3.25Å; R24-K51 HydrophobicContact CB-CB 4.31Å; R24-K51 HydrophobicContact CB-CD 4.07Å; R24-K51 WeakPolarHBondContact CD-O 3.45Å; R24-K51 PolarHBondContact NH1-O 2.94Å; P30-K51 WeakPolarHBondContact CA-O 3.47Å; P30-K51 PolarHBondContact O-N 3.11Å; I49-K51 HydrophobicContact CD1-CB 4.48Å; K51-D53 WeakPolarHBondContact CG-OD1 3.39Å; K51-D53 PolarHBondContact NZ-O 2.69Å; K51-D53 IonicContact NZ-OD1 2.7Å; K51-D53 PolarHBondContact NZ-OD1 2.81Å; K51-D53 IonicContact NZ-OD2 2.75Å; K51-D53 PolarHBondContact NZ-OD2 2.96Å; K51-D53 PolarHBondContact O-N 2.83Å; K51-G55 WeakPolarHBondContact CE-O 3.28Å
52E94.9Very high94.4Very high136 Ų13685.6 Ų85.664%0.63646%0.46SS*.SBendtrans-69.8-31.8-173.5-68.9-57.9149.800113.8R24R24-E52 PolarHBondContact NH1-O 2.76Å; R24-E52 PolarHBondContact NH2-O 2.86Å
53D94.3Very high94.8Very high94 Ų9486.8 Ų86.850%0.50344%0.442SS..SBendtrans-100.6147.9-179.365.9-48.7000111.4R24 K51R24-D53 VanDerWaalsContact CZ-C 3.43Å; R24-D53 PolarHBondContact NE-O 2.9Å; K51-D53 WeakPolarHBondContact CG-OD1 3.39Å; K51-D53 PolarHBondContact NZ-O 2.69Å; K51-D53 IonicContact NZ-OD1 2.7Å; K51-D53 PolarHBondContact NZ-OD1 2.81Å; K51-D53 IonicContact NZ-OD2 2.75Å; K51-D53 PolarHBondContact NZ-OD2 2.96Å; K51-D53 PolarHBondContact O-N 2.83Å
54R95.1Very high95Very high186 Ų18688.3 Ų88.370%0.70245%0.45SS*.  trans-82.4155.7-179.666.2177.3-177.4-174.50110
55G94.3Very high95Very high32 Ų3283.9 Ų83.933%0.3345%0.452SS..EExtended strand (participates in β ladder)trans104.9-170.1177.300000112.8T23 R24 K51T23-G55 WeakPolarHBondContact CA-O 3.33Å; R24-G55 PolarHBondContact N-O 2.85Å; R24-G55 PolarHBondContact O-N 2.82Å; K51-G55 WeakPolarHBondContact CE-O 3.28Å
56T94.5Very high94.9Very high88 Ų8882.8 Ų82.854%0.5444%0.441SS..EExtended strand (participates in β ladder)trans-119.5125-171.7-55.50000109.8V21 R22 T23 I58V21-T56 HydrophobicContact CG1-CG2 3.76Å; R22-T56 WeakPolarHBondContact O-CA 3.32Å; T23-T56 PolarHBondContact OG1-OG1 2.65Å; T56-I58 HydrophobicContact CG2-CD1 4.46Å; T56-I58 HydrophobicContact CG2-CG1 3.98Å
57E94.7Very high94.8Very high84 Ų8483.7 Ų83.739%0.39344%0.443SS..EExtended strand (participates in β ladder)trans-101.1133.1167.7179.6-175.910300108.1V21 R22V21-E57 WeakPolarHBondContact CA-O 3.1Å; R22-E57 HydrophobicContact CB-CB 4.32Å; R22-E57 PolarHBondContact N-O 2.82Å; R22-E57 PolarHBondContact O-N 3.09Å
58I93.9Very high94.6Very high91 Ų9186.1 Ų86.147%0.46745%0.447SS..EExtended strand (participates in β ladder)trans-122.5121.6174.8-55.2-179.4000107.2V19 T20 V21 T56 L60V19-I58 HydrophobicContact CG1-CG2 3.98Å; T20-I58 CarbonylContact O-C 3.57Å; T20-I58 WeakPolarHBondContact O-CA 3.24Å; V21-I58 HydrophobicContact CG2-CG1 4.36Å; T56-I58 HydrophobicContact CG2-CD1 4.46Å; T56-I58 HydrophobicContact CG2-CG1 3.98Å; I58-L60 HydrophobicContact CG2-CD2 3.92Å
59T95.8Very high94.4Very high54 Ų5482.1 Ų82.133%0.33142%0.423SS..EExtended strand (participates in β ladder)trans-108.7121.4174.1-47.20000109T20T20-T59 PolarHBondContact N-O 2.79Å; T20-T59 PolarHBondContact O-N 3.14Å
60L94.8Very high94.2Very high70 Ų7086.6 Ų86.637%0.36645%0.447SS..EExtended strand (participates in β ladder)trans-95.5116.1173.1-56-169.6000108.4A12 V15 A16 V19 I58 L62A12-L60 HydrophobicContact CB-CD1 4.5Å; A12-L60 HydrophobicContact CB-CD2 3.71Å; V15-L60 HydrophobicContact CG2-CD1 4.33Å; A16-L60 HydrophobicContact CB-CB 4.05Å; A16-L60 HydrophobicContact CB-CD2 4.45Å; V19-L60 HydrophobicContact CG1-CD2 4.01Å; V19-L60 HydrophobicContact CG2-CD2 3.9Å; I58-L60 HydrophobicContact CG2-CD2 3.92Å; L60-L62 HydrophobicContact CB-CD2 4.23Å; L60-L62 PolarHBondContact O-N 3.45Å
61H96.1Very high93.9Very high67 Ų6786.6 Ų86.631%0.3144%0.444SS..EExtended strand (participates in β ladder)trans-87.1103170.1-56.3-98.6000106.2A16 D17 K18 T20A16-H61 CarbonylContact C-O 3.44Å; A16-H61 WeakPolarHBondContact CA-O 3.35Å; A16-H61 VanDerWaalsContact CB-O 3.24Å; A16-H61 WeakPolarHBondContact CB-O 3.37Å; D17-H61 PolarHBondContact N-O 2.9Å; D17-H61 WeakPolarHBondContact OD1-CB 3.13Å; K18-H61 HydrophobicContact CB-CB 3.95Å; K18-H61 WeakPolarHBondContact CE-CD2 3.35Å; K18-H61 WeakPolarHBondContact CE-NE2 3.13Å; K18-H61 WeakPolarHBondContact O-CB 3.37Å; K18-H61 PolarHBondContact O-CD2 3.08Å; K18-H61 VanDerWaalsContact O-CD2 3.28Å; K18-H61 PolarHBondContact O-N 2.84Å; T20-H61 PolarHBondContact OG1-NE2 2.85Å
62L95Very high93.6Very high38 Ų3889.6 Ų89.620%0.19946%0.461CS..EExtended strand (participates in β ladder)trans-68.5143.8-170-62.3178.1000111.6V15 L60 E66 F69 L70V15-L62 HydrophobicContact CB-CD2 4.35Å; V15-L62 HydrophobicContact CG2-CD2 4.15Å; V15-L62 WeakPolarHBondContact O-CA 3.4Å; L60-L62 HydrophobicContact CB-CD2 4.23Å; L60-L62 PolarHBondContact O-N 3.45Å; L62-E66 HydrophobicContact CB-CB 4.44Å; L62-F69 HydrophobicContact CD1-CB 3.99Å; L62-F69 HydrophobicContact CD2-CB 4.37Å; L62-L70 HydrophobicContact CD1-CD1 4.4Å; L62-L70 HydrophobicContact CD1-CD2 3.54Å; L62-L70 HydrophobicContact CD1-CG 3.58Å
63R93.9Very high93.3Very high95 Ų9592 Ų9236%0.35846%0.464SS..PPolyproline II helixtrans-67.7155.6173-61-177.8178.7-80.4-4.9110F13 V15 A16 D17 G65 E66F13-R63 PolarHBondContact O-NE 3.5Å; F13-R63 PolarHBondContact O-NH2 2.68Å; F13-R63 VanDerWaalsContact O-NH2 3.12Å; V15-R63 PolarHBondContact O-N 2.78Å; A16-R63 VanDerWaalsContact C-CG 3.45Å; A16-R63 VanDerWaalsContact O-CZ 3.25Å; A16-R63 PolarHBondContact O-NE 2.96Å; A16-R63 VanDerWaalsContact O-NE 3.08Å; A16-R63 PolarHBondContact O-NH2 3.39Å; D17-R63 HydrophobicContact CB-CG 3.95Å; D17-R63 VanDerWaalsContact N-CG 3.3Å; R63-G65 PolarHBondContact O-N 3Å; R63-E66 HydrophobicContact CB-CG 3.95Å; R63-E66 WeakPolarHBondContact O-CB 3.29Å; R63-E66 PolarHBondContact O-N 3.1Å; R63-E66 VanDerWaalsContact O-N 3.08Å
64E93.4Very high93.1Very high200 Ų20091.6 Ų91.694%0.93546%0.455SS*.THydrogen-bonded Turntrans-56.8126.2168.9-170.8179-178.600110.2
65G92.8Very high92.9Very high63 Ų6384.6 Ų84.665%0.64943%0.433SS*.THydrogen-bonded Turntrans98.1-13.4-177.200000115.1R63 D67R63-G65 PolarHBondContact O-N 3Å; G65-D67 VanDerWaalsContact C-N 3.34Å
66E93.7Very high92.6Very high55 Ų5585.7 Ų85.726%0.25743%0.427SS..  trans-95.715.8-179.5-57.8-64.715800112.5V15 L62 R63 E68 F69V15-E66 HydrophobicContact CB-CB 4.45Å; V15-E66 HydrophobicContact CB-CG 4.41Å; L62-E66 HydrophobicContact CB-CB 4.44Å; R63-E66 HydrophobicContact CB-CG 3.95Å; R63-E66 WeakPolarHBondContact O-CB 3.29Å; R63-E66 PolarHBondContact O-N 3.1Å; R63-E66 VanDerWaalsContact O-N 3.08Å; E66-E68 PolarHBondContact O-N 2.87Å; E66-F69 HydrophobicContact CB-CD2 4.22Å; E66-F69 WeakPolarHBondContact O-CD2 3.26Å; E66-F69 PolarHBondContact O-N 2.76Å; E66-F69 VanDerWaalsContact O-N 3.09Å; E66-F69 VanDerWaalsContact OE2-CE2 3.29Å; E66-F69 WeakPolarHBondContact OE2-CE2 3.46Å
67D92.6Very high92.2Very high104 Ų10483.2 Ų83.256%0.55641%0.414SS*.G310 helixtrans-59.3-16.4-179-67.2-17.2000113.3G65 F69 L70G65-D67 VanDerWaalsContact C-N 3.34Å; D67-F69 PolarHBondContact O-N 3.09Å; D67-F69 VanDerWaalsContact O-N 3.14Å; D67-L70 HydrophobicContact CB-CD1 4.44Å; D67-L70 WeakPolarHBondContact O-CB 3.23Å; D67-L70 PolarHBondContact O-N 2.75Å
68E92.4Very high91.7Very high89 Ų8981.5 Ų81.542%0.41641%0.407SS..G310 helixtrans-56.8-27.1173.469.1163.2142.800112.4E66 L70 D71 R74E66-E68 PolarHBondContact O-N 2.87Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.03Å; E68-D71 WeakPolarHBondContact O-CB 3.48Å; E68-D71 PolarHBondContact O-N 3.43Å; E68-R74 VanDerWaalsContact O-CB 3.23Å; E68-R74 WeakPolarHBondContact O-CB 3.42Å; E68-R74 VanDerWaalsContact O-CG 3.26Å; E68-R74 WeakPolarHBondContact O-CG 3.15Å; E68-R74 IonicContact OE1-NH2 3.78Å; E68-R74 IonicContact OE2-CZ 2.85Å; E68-R74 IonicContact OE2-NE 3.41Å; E68-R74 PolarHBondContact OE2-NE 3.19Å; E68-R74 IonicContact OE2-NH2 3.94Å; E68-R74 PolarHBondContact OE2-NH2 3.38Å; E68-R74 VanDerWaalsContact OE2-NH2 3.09Å
69F91.4Very high91.3Very high57 Ų5778.7 Ų78.725%0.2539%0.392CS..G310 helixtrans-81.2-5.8177.8-61.6-72.3000113.7V15 L62 E66 D67 D71 V75 I78V15-F69 HydrophobicContact CB-CD2 4.08Å; V15-F69 HydrophobicContact CB-CE2 4.06Å; V15-F69 HydrophobicContact CG1-CD2 3.92Å; V15-F69 HydrophobicContact CG1-CE2 3.39Å; V15-F69 HydrophobicContact CG1-CZ 3.88Å; L62-F69 HydrophobicContact CD1-CB 3.99Å; L62-F69 HydrophobicContact CD2-CB 4.37Å; E66-F69 HydrophobicContact CB-CD2 4.22Å; E66-F69 WeakPolarHBondContact O-CD2 3.26Å; E66-F69 PolarHBondContact O-N 2.76Å; E66-F69 VanDerWaalsContact O-N 3.09Å; E66-F69 VanDerWaalsContact OE2-CE2 3.29Å; E66-F69 WeakPolarHBondContact OE2-CE2 3.46Å; D67-F69 PolarHBondContact O-N 3.09Å; D67-F69 VanDerWaalsContact O-N 3.14Å; F69-D71 VanDerWaalsContact C-N 3.33Å; F69-V75 WeakPolarHBondContact O-CG2 3.38Å; F69-I78 HydrophobicContact CD1-CD1 3.94Å; F69-I78 HydrophobicContact CE1-CD1 3.66Å
70L91.6Very high90.4Very high129 Ų12978.6 Ų78.668%0.67539%0.394SS*.G310 helixtrans-82.5-15166.8-58.9175000112.1L62 D67 E68L62-L70 HydrophobicContact CD1-CD1 4.4Å; L62-L70 HydrophobicContact CD1-CD2 3.54Å; L62-L70 HydrophobicContact CD1-CG 3.58Å; D67-L70 HydrophobicContact CB-CD1 4.44Å; D67-L70 WeakPolarHBondContact O-CB 3.23Å; D67-L70 PolarHBondContact O-N 2.75Å; E68-L70 VanDerWaalsContact C-N 3.28Å; E68-L70 PolarHBondContact O-N 3.03Å
71D90.6Very high89.4Confident79 Ų7981.8 Ų81.842%0.42241%0.405SS..  trans-76.9122.3179.6178.159.9000111.4E68 F69 W73 R74 V75E68-D71 WeakPolarHBondContact O-CB 3.48Å; E68-D71 PolarHBondContact O-N 3.43Å; F69-D71 VanDerWaalsContact C-N 3.33Å; D71-W73 VanDerWaalsContact C-N 3.27Å; D71-W73 PolarHBondContact O-N 3.31Å; D71-W73 WeakPolarHBondContact OD2-CB 3.38Å; D71-W73 PolarHBondContact OD2-N 2.92Å; D71-R74 HydrophobicContact CB-CB 3.96Å; D71-R74 WeakPolarHBondContact O-CB 3.33Å; D71-R74 PolarHBondContact O-N 2.96Å; D71-R74 PolarHBondContact OD2-N 3.09Å; D71-V75 WeakPolarHBondContact O-CG2 3.21Å; D71-V75 PolarHBondContact O-N 2.88Å
72D89.6Confident88.3Confident71 Ų7183.5 Ų83.538%0.3841%0.409SS..Hα-helixtrans-57.6-40.4-179.7170.482.7000111.7V75 R76 I92D72-V75 PolarHBondContact O-N 3.23Å; D72-R76 WeakPolarHBondContact O-CB 3.31Å; D72-R76 WeakPolarHBondContact O-CG 3.28Å; D72-R76 PolarHBondContact O-N 3.4Å; D72-R76 IonicContact OD1-CZ 2.82Å; D72-R76 IonicContact OD1-NE 3.38Å; D72-R76 PolarHBondContact OD1-NE 2.81Å; D72-R76 IonicContact OD1-NH2 3.65Å; D72-R76 PolarHBondContact OD1-NH2 3.3Å; D72-R76 VanDerWaalsContact OD2-CD 3.31Å; D72-R76 WeakPolarHBondContact OD2-CD 3.38Å; D72-R76 IonicContact OD2-CZ 2.65Å; D72-R76 IonicContact OD2-NE 3.93Å; D72-R76 PolarHBondContact OD2-NE 2.94Å; D72-R76 IonicContact OD2-NH2 2.75Å; D72-I92 VanDerWaalsContact OD1-CD1 3.28Å; D72-I92 WeakPolarHBondContact OD1-CD1 3.22Å
73W88.8Confident87.4Confident186 Ų18682.9 Ų82.971%0.70541%0.408SS*.Hα-helixtrans-66.8-42.2179.7-177.888.5000111.5D71 R76 S77D71-W73 VanDerWaalsContact C-N 3.27Å; D71-W73 PolarHBondContact O-N 3.31Å; D71-W73 WeakPolarHBondContact OD2-CB 3.38Å; D71-W73 PolarHBondContact OD2-N 2.92Å; W73-R76 PolarHBondContact O-N 2.77Å; W73-S77 WeakPolarHBondContact O-CB 3.37Å; W73-S77 PolarHBondContact O-N 2.76Å
74R90.8Very high86.4Confident85 Ų8578.8 Ų78.832%0.32139%0.394SS..Hα-helixtrans-59.4-49.2174.8-175.953.2163.2149.30.4111.7E68 D71 R76 S77 I78E68-R74 VanDerWaalsContact O-CB 3.23Å; E68-R74 WeakPolarHBondContact O-CB 3.42Å; E68-R74 VanDerWaalsContact O-CG 3.26Å; E68-R74 WeakPolarHBondContact O-CG 3.15Å; E68-R74 IonicContact OE1-NH2 3.78Å; E68-R74 IonicContact OE2-CZ 2.85Å; E68-R74 IonicContact OE2-NE 3.41Å; E68-R74 PolarHBondContact OE2-NE 3.19Å; E68-R74 IonicContact OE2-NH2 3.94Å; E68-R74 PolarHBondContact OE2-NH2 3.38Å; E68-R74 VanDerWaalsContact OE2-NH2 3.09Å; D71-R74 HydrophobicContact CB-CB 3.96Å; D71-R74 WeakPolarHBondContact O-CB 3.33Å; D71-R74 PolarHBondContact O-N 2.96Å; D71-R74 PolarHBondContact OD2-N 3.09Å; R74-R76 PolarHBondContact O-N 3.19Å; R74-S77 PolarHBondContact O-N 2.9Å; R74-S77 PolarHBondContact O-OG 3.4Å; R74-I78 HydrophobicContact CG-CD1 4.18Å; R74-I78 WeakPolarHBondContact O-CG1 3.29Å; R74-I78 PolarHBondContact O-N 3.08Å; R74-I78 VanDerWaalsContact O-N 3.08Å
75V90.1Very high85Confident40 Ų4069.5 Ų69.524%0.24235%0.35CS..Hα-helixtrans-60.9-45.71781750000111.1F69 D71 D72 S77 I78 I79 I92F69-V75 WeakPolarHBondContact O-CG2 3.38Å; D71-V75 WeakPolarHBondContact O-CG2 3.21Å; D71-V75 PolarHBondContact O-N 2.88Å; D72-V75 PolarHBondContact O-N 3.23Å; V75-S77 VanDerWaalsContact C-N 3.32Å; V75-S77 PolarHBondContact O-N 2.64Å; V75-I78 PolarHBondContact O-N 3.44Å; V75-I79 HydrophobicContact CG1-CD1 3.63Å; V75-I79 HydrophobicContact CG1-CG1 4.39Å; V75-I79 WeakPolarHBondContact O-CG1 3.35Å; V75-I79 PolarHBondContact O-N 3.09Å; V75-I92 HydrophobicContact CB-CD1 4.38Å; V75-I92 HydrophobicContact CG1-CD1 3.98Å
76R88.5Confident83.9Confident54 Ų5467.8 Ų67.820%0.20433%0.326CS..Hα-helixtrans-59.1-41.8175.1-74172.1-175.1-101.72.9112.4D72 W73 R74 I78 I79 S80 I92 E107 I109D72-R76 WeakPolarHBondContact O-CB 3.31Å; D72-R76 WeakPolarHBondContact O-CG 3.28Å; D72-R76 PolarHBondContact O-N 3.4Å; D72-R76 IonicContact OD1-CZ 2.82Å; D72-R76 IonicContact OD1-NE 3.38Å; D72-R76 PolarHBondContact OD1-NE 2.81Å; D72-R76 IonicContact OD1-NH2 3.65Å; D72-R76 PolarHBondContact OD1-NH2 3.3Å; D72-R76 VanDerWaalsContact OD2-CD 3.31Å; D72-R76 WeakPolarHBondContact OD2-CD 3.38Å; D72-R76 IonicContact OD2-CZ 2.65Å; D72-R76 IonicContact OD2-NE 3.93Å; D72-R76 PolarHBondContact OD2-NE 2.94Å; D72-R76 IonicContact OD2-NH2 2.75Å; W73-R76 PolarHBondContact O-N 2.77Å; R74-R76 PolarHBondContact O-N 3.19Å; R76-I78 VanDerWaalsContact C-N 3.31Å; R76-I78 PolarHBondContact O-N 3.22Å; R76-I79 PolarHBondContact O-N 3.3Å; R76-S80 WeakPolarHBondContact O-CB 3.36Å; R76-S80 PolarHBondContact O-N 3Å; R76-I92 HydrophobicContact CG-CD1 4.27Å; R76-I92 VanDerWaalsContact NH2-CG2 3.31Å; R76-E107 IonicContact CZ-OE1 3.34Å; R76-E107 IonicContact CZ-OE2 3.09Å; R76-E107 IonicContact NH1-OE1 3.4Å; R76-E107 PolarHBondContact NH1-OE1 2.93Å; R76-E107 IonicContact NH1-OE2 2.79Å; R76-E107 PolarHBondContact NH1-OE2 2.83Å; R76-E107 VanDerWaalsContact NH1-OE2 3.09Å; R76-E107 IonicContact NH2-OE2 3.62Å; R76-E107 PolarHBondContact NH2-OE2 3.39Å; R76-I109 HydrophobicContact CG-CD1 4.4Å; R76-I109 HydrophobicContact CG-CG2 4.3Å; R76-I109 VanDerWaalsContact NH1-CG2 3.28Å
77S85.1Confident82.8Confident37 Ų3768 Ų6826%0.25934%0.337SS..Hα-helixtrans-62.3-39.9178.879.30000111.8W73 R74 V75 K81W73-S77 WeakPolarHBondContact O-CB 3.37Å; W73-S77 PolarHBondContact O-N 2.76Å; R74-S77 PolarHBondContact O-N 2.9Å; R74-S77 PolarHBondContact O-OG 3.4Å; V75-S77 VanDerWaalsContact C-N 3.32Å; V75-S77 PolarHBondContact O-N 2.64Å; S77-K81 VanDerWaalsContact O-CB 3.25Å; S77-K81 WeakPolarHBondContact O-CB 3.39Å; S77-K81 PolarHBondContact O-N 2.86Å; S77-K81 VanDerWaalsContact O-N 3.08Å
78I85.7Confident82.1Confident48 Ų4869.1 Ų69.125%0.24634%0.342CS..Hα-helixtrans-68.4-48.8177.6-66.5165.6000109.7F69 R74 V75 R76 S80 K81 Y82F69-I78 HydrophobicContact CD1-CD1 3.94Å; F69-I78 HydrophobicContact CE1-CD1 3.66Å; R74-I78 HydrophobicContact CG-CD1 4.18Å; R74-I78 WeakPolarHBondContact O-CG1 3.29Å; R74-I78 PolarHBondContact O-N 3.08Å; R74-I78 VanDerWaalsContact O-N 3.08Å; V75-I78 PolarHBondContact O-N 3.44Å; R76-I78 VanDerWaalsContact C-N 3.31Å; R76-I78 PolarHBondContact O-N 3.22Å; I78-S80 PolarHBondContact O-N 3.2Å; I78-K81 PolarHBondContact O-N 3.48Å; I78-K81 VanDerWaalsContact O-N 3.16Å; I78-Y82 HydrophobicContact CG2-CD2 3.84Å; I78-Y82 HydrophobicContact CG2-CE2 4.36Å; I78-Y82 VanDerWaalsContact O-CD2 3.24Å; I78-Y82 WeakPolarHBondContact O-CD2 3.33Å; I78-Y82 PolarHBondContact O-N 3.39Å
79I84Confident81.6Confident31 Ų3168.5 Ų68.516%0.15935%0.346CS..Hα-helixtrans-64-42.9-178.8-68.2171.3000111.2V75 R76 K81 Y82 S83 D84 V90 I109 N110V75-I79 HydrophobicContact CG1-CD1 3.63Å; V75-I79 HydrophobicContact CG1-CG1 4.39Å; V75-I79 WeakPolarHBondContact O-CG1 3.35Å; V75-I79 PolarHBondContact O-N 3.09Å; R76-I79 PolarHBondContact O-N 3.3Å; I79-K81 VanDerWaalsContact C-N 3.3Å; I79-K81 PolarHBondContact O-N 2.93Å; I79-Y82 PolarHBondContact O-N 2.92Å; I79-S83 CarbonylContact O-C 3.57Å; I79-S83 VanDerWaalsContact O-CA 3.28Å; I79-S83 WeakPolarHBondContact O-CA 2.91Å; I79-S83 VanDerWaalsContact O-CB 3.25Å; I79-S83 WeakPolarHBondContact O-CB 3.25Å; I79-S83 PolarHBondContact O-N 3.33Å; I79-D84 PolarHBondContact O-N 2.86Å; I79-V90 HydrophobicContact CD1-CG1 4.04Å; I79-V90 HydrophobicContact CG2-CB 4.13Å; I79-V90 HydrophobicContact CG2-CG1 3.78Å; I79-I109 HydrophobicContact CB-CD1 3.87Å; I79-I109 HydrophobicContact CD1-CD1 3.35Å; I79-I109 HydrophobicContact CG1-CD1 4.19Å; I79-I109 HydrophobicContact CG2-CD1 3.6Å; I79-I109 HydrophobicContact CG2-CG1 3.9Å; I79-N110 HydrophobicContact CG2-CB 4.45Å
80S77.6Confident81.4Confident53 Ų5367.7 Ų67.737%0.37135%0.346SS..Hα-helixtrans-61.6-41.6174.9178.80000111.1R76 I78 D84R76-S80 WeakPolarHBondContact O-CB 3.36Å; R76-S80 PolarHBondContact O-N 3Å; I78-S80 PolarHBondContact O-N 3.2Å; S80-D84 VanDerWaalsContact O-CB 3.24Å; S80-D84 WeakPolarHBondContact O-CB 3.21Å; S80-D84 PolarHBondContact OG-OD2 3.39Å; S80-D84 VanDerWaalsContact OG-OD2 3.06Å
81K73.5Confident81.4Confident136 Ų13666.4 Ų66.459%0.59134%0.336SS*.Hα-helixtrans-67.1-41.3-179.9-172.4176.2178.5-164.70113.3S77 I78 I79S77-K81 VanDerWaalsContact O-CB 3.25Å; S77-K81 WeakPolarHBondContact O-CB 3.39Å; S77-K81 PolarHBondContact O-N 2.86Å; S77-K81 VanDerWaalsContact O-N 3.08Å; I78-K81 PolarHBondContact O-N 3.48Å; I78-K81 VanDerWaalsContact O-N 3.16Å; I79-K81 VanDerWaalsContact C-N 3.3Å; I79-K81 PolarHBondContact O-N 2.93Å
82Y73.3Confident81.4Confident103 Ų10363.8 Ų63.840%0.40432%0.322SS..Hα-helixtrans-111.2-8.2-169.2-63-75000114.9I78 I79 H85 E130I78-Y82 HydrophobicContact CG2-CD2 3.84Å; I78-Y82 HydrophobicContact CG2-CE2 4.36Å; I78-Y82 VanDerWaalsContact O-CD2 3.24Å; I78-Y82 WeakPolarHBondContact O-CD2 3.33Å; I78-Y82 PolarHBondContact O-N 3.39Å; I79-Y82 PolarHBondContact O-N 2.92Å; Y82-H85 PolarHBondContact O-CE1 2.61Å; Y82-E130 HydrophobicContact CD1-CG 4.22Å
83S76.8Confident81.4Confident25 Ų2563.5 Ų63.518%0.17532%0.318CS..Hα-helixtrans-135.4-0.2-172.4-55.10000114.8I79 H85 I86 N110I79-S83 CarbonylContact O-C 3.57Å; I79-S83 VanDerWaalsContact O-CA 3.28Å; I79-S83 WeakPolarHBondContact O-CA 2.91Å; I79-S83 VanDerWaalsContact O-CB 3.25Å; I79-S83 WeakPolarHBondContact O-CB 3.25Å; I79-S83 PolarHBondContact O-N 3.33Å; S83-H85 PolarHBondContact O-N 3.05Å; S83-H85 VanDerWaalsContact O-N 3.15Å; S83-I86 WeakPolarHBondContact O-CB 3.24Å; S83-I86 PolarHBondContact O-N 2.92Å; S83-I86 VanDerWaalsContact O-N 3.08Å; S83-N110 PolarHBondContact O-ND2 3.14Å
84D71.4Confident81.3Confident10 Ų1058.4 Ų58.45%0.05330%0.301CS..THydrogen-bonded Turntrans-57.1-29175.3-97.4-6.3000113.5I79 S80 N110 K111 A112I79-D84 PolarHBondContact O-N 2.86Å; S80-D84 VanDerWaalsContact O-CB 3.24Å; S80-D84 WeakPolarHBondContact O-CB 3.21Å; S80-D84 PolarHBondContact OG-OD2 3.39Å; S80-D84 VanDerWaalsContact OG-OD2 3.06Å; D84-N110 VanDerWaalsContact OD1-CA 3.28Å; D84-N110 WeakPolarHBondContact OD1-CA 3.45Å; D84-K111 HydrophobicContact CB-CB 4.48Å; D84-K111 HydrophobicContact CB-CD 4.48Å; D84-K111 PolarHBondContact OD1-N 3.38Å; D84-K111 WeakPolarHBondContact OD2-CD 3.44Å; D84-K111 VanDerWaalsContact OD2-CE 3.27Å; D84-K111 WeakPolarHBondContact OD2-CE 3.35Å; D84-K111 IonicContact OD2-NZ 2.77Å; D84-A112 PolarHBondContact O-N 3.21Å
85H65.7Low81.1Confident4 Ų462.6 Ų62.62%0.01932%0.317CS..THydrogen-bonded Turntrans-84.5-9.5-178.858.2-104.7000114.4Y82 S83 L115 F131Y82-H85 PolarHBondContact O-CE1 2.61Å; S83-H85 PolarHBondContact O-N 3.05Å; S83-H85 VanDerWaalsContact O-N 3.15Å; H85-L115 HydrophobicContact CB-CB 3.97Å; H85-L115 HydrophobicContact CB-CD1 4.17Å; H85-F131 HydrophobicContact CB-CD2 4.26Å; H85-F131 AromaticContact CD2-CD2 3.62Å
86I69.9Low80.8Confident28 Ų2863.4 Ų63.414%0.14432%0.318CS..  trans-76.7129.2179.4-59.1178000108.4S83 L88 N110 A112S83-I86 WeakPolarHBondContact O-CB 3.24Å; S83-I86 PolarHBondContact O-N 2.92Å; S83-I86 VanDerWaalsContact O-N 3.08Å; I86-L88 HydrophobicContact CG2-CB 4.14Å; I86-L88 PolarHBondContact O-N 3.2Å; I86-N110 PolarHBondContact O-ND2 2.97Å; I86-N110 VanDerWaalsContact O-ND2 3.13Å; I86-A112 WeakPolarHBondContact O-CA 3.44Å
87A69.5Low80.6Confident58 Ų5868.7 Ų68.748%0.47935%0.345SS..SBendtrans-70.3-19.3-176.600000113.9
88L77.3Confident80.3Confident129 Ų12972.3 Ų72.368%0.67536%0.356SS*.SBendtrans-81140.6176.5-64.8171.7000110.6I86 V90 N110I86-L88 HydrophobicContact CG2-CB 4.14Å; I86-L88 PolarHBondContact O-N 3.2Å; L88-V90 PolarHBondContact O-N 3.23Å; L88-N110 PolarHBondContact O-ND2 3.15Å
89P82.8Confident80.2Confident76 Ų7678.6 Ų78.649%0.49439%0.39SS..PPolyproline II helixtrans-65.4128.6174.528-32.9000110E91 K108 N110P89-E91 HydrophobicContact CB-CG 4.46Å; P89-K108 HydrophobicContact CB-CD 4.17Å; P89-K108 HydrophobicContact CB-CG 4.18Å; P89-N110 WeakPolarHBondContact CA-OD1 3.27Å
90V87Confident80.3Confident40 Ų4080.6 Ų80.624%0.24242%0.418CS..PPolyproline II helixtrans-101.5121.5165.8-176.60000106.4I79 L88 I109 N110I79-V90 HydrophobicContact CD1-CG1 4.04Å; I79-V90 HydrophobicContact CG2-CB 4.13Å; I79-V90 HydrophobicContact CG2-CG1 3.78Å; L88-V90 PolarHBondContact O-N 3.23Å; V90-I109 HydrophobicContact CG1-CD1 4.43Å; V90-I109 HydrophobicContact CG1-CG1 4.37Å; V90-I109 VanDerWaalsContact O-CG1 3.29Å; V90-I109 WeakPolarHBondContact O-CG1 3.28Å; V90-I109 PolarHBondContact O-N 3.38Å; V90-N110 HydrophobicContact CB-CB 4.17Å; V90-N110 HydrophobicContact CG2-CB 4.34Å; V90-N110 PolarHBondContact N-OD1 3.08Å
91E90.6Very high80.5Confident101 Ų10185.1 Ų85.147%0.47243%0.434SS..EExtended strand (participates in β ladder)trans-115.3143.1-176.3-57.4-179.3140.100110P89 W106 E107 K108P89-E91 HydrophobicContact CB-CG 4.46Å; E91-W106 HydrophobicContact CB-CB 4.14Å; E91-W106 HydrophobicContact CB-CE3 3.99Å; E91-E107 CarbonylContact C-O 3.57Å; E91-E107 WeakPolarHBondContact CA-O 3.1Å; E91-K108 HydrophobicContact CG-CB 4.36Å
92I90.6Very high81Confident25 Ų2582.6 Ų82.613%0.12843%0.43CS..EExtended strand (participates in β ladder)trans-113.2143.1172.7-163.9161.6000109.8D72 V75 R76 K94 E107 I109D72-I92 VanDerWaalsContact OD1-CD1 3.28Å; D72-I92 WeakPolarHBondContact OD1-CD1 3.22Å; V75-I92 HydrophobicContact CB-CD1 4.38Å; V75-I92 HydrophobicContact CG1-CD1 3.98Å; R76-I92 HydrophobicContact CG-CD1 4.27Å; R76-I92 VanDerWaalsContact NH2-CG2 3.31Å; I92-K94 PolarHBondContact O-N 3.19Å; I92-E107 HydrophobicContact CG2-CB 4.31Å; I92-E107 PolarHBondContact N-O 3.32Å; I92-E107 PolarHBondContact O-N 2.89Å; I92-I109 HydrophobicContact CB-CD1 3.97Å; I92-I109 HydrophobicContact CB-CG2 4.33Å; I92-I109 HydrophobicContact CG2-CD1 4.28Å; I92-I109 HydrophobicContact CG2-CG2 3.51Å
93E90.2Very high81.7Confident65 Ų6580.6 Ų80.630%0.30443%0.428SS..EExtended strand (participates in β ladder)trans-69.1124.4175.3-171.6-176.690.600109.8R95 I104 W106E93-R95 IonicContact OE1-CZ 3.2Å; E93-R95 IonicContact OE1-NE 2.74Å; E93-R95 PolarHBondContact OE1-NE 2.88Å; E93-R95 IonicContact OE1-NH2 2.78Å; E93-R95 PolarHBondContact OE1-NH2 3.16Å; E93-I104 HydrophobicContact CG-CG2 3.41Å; E93-I104 VanDerWaalsContact CG-CG2 3.41Å; E93-W106 HydrophobicContact CB-CE3 4.4Å; E93-W106 HydrophobicContact CB-CH2 4.14Å; E93-W106 HydrophobicContact CB-CZ2 4.42Å; E93-W106 HydrophobicContact CB-CZ3 4.13Å
94K86.9Confident82.2Confident79 Ų7983.8 Ų83.834%0.34344%0.442SS..EExtended strand (participates in β ladder)trans-113.9124174.2-168.8-173.3-173.1-164.90109.8I92 E96 S105I92-K94 PolarHBondContact O-N 3.19Å; K94-E96 HydrophobicContact CD-CG 4.36Å; K94-E96 VanDerWaalsContact CE-OE1 3.24Å; K94-E96 WeakPolarHBondContact CE-OE1 3.25Å; K94-E96 HydrophobicContact CG-CG 4.43Å; K94-E96 IonicContact NZ-OE1 2.77Å; K94-E96 PolarHBondContact NZ-OE1 3.08Å; K94-S105 PolarHBondContact N-O 3.3Å; K94-S105 PolarHBondContact O-N 3.36Å; K94-S105 PolarHBondContact O-OG 2.83Å
95R86.4Confident83.2Confident173 Ų17385.3 Ų85.365%0.65345%0.454SS*.EExtended strand (participates in β ladder)trans-101.8118.1176.5-59.8-176.9-177.2-177.20.7109.6E93 T102 I104E93-R95 IonicContact OE1-CZ 3.2Å; E93-R95 IonicContact OE1-NE 2.74Å; E93-R95 PolarHBondContact OE1-NE 2.88Å; E93-R95 IonicContact OE1-NH2 2.78Å; E93-R95 PolarHBondContact OE1-NH2 3.16Å; R95-T102 HydrophobicContact CB-CG2 4.02Å; R95-T102 HydrophobicContact CG-CG2 4.41Å; R95-I104 HydrophobicContact CG-CG1 4.43Å
96E85.2Confident84.4Confident56 Ų5692.7 Ų92.726%0.26248%0.482SS..EExtended strand (participates in β ladder)trans-117.3130.8174.5-66-175.216900109.4K94 K98 V103K94-E96 HydrophobicContact CD-CG 4.36Å; K94-E96 VanDerWaalsContact CE-OE1 3.24Å; K94-E96 WeakPolarHBondContact CE-OE1 3.25Å; K94-E96 HydrophobicContact CG-CG 4.43Å; K94-E96 IonicContact NZ-OE1 2.77Å; K94-E96 PolarHBondContact NZ-OE1 3.08Å; E96-K98 PolarHBondContact O-N 3.42Å; E96-K98 WeakPolarHBondContact OE2-CE 3.28Å; E96-K98 IonicContact OE2-NZ 2.78Å; E96-K98 PolarHBondContact OE2-NZ 3.46Å; E96-V103 PolarHBondContact N-O 3.47Å; E96-V103 PolarHBondContact O-N 3.17Å
97E83.4Confident85.3Confident166 Ų16694.6 Ų94.678%0.77649%0.49SS*.EExtended strand (participates in β ladder)trans-79.2118166.1-76.9-167.1161.500109.4
98K79.1Confident86Confident113 Ų11396.8 Ų96.849%0.49149%0.489SS..EExtended strand (participates in β ladder)trans-125.4124.3170.7-73.9-178.4-177.8152.70108.9E96 G100 E101 V103E96-K98 PolarHBondContact O-N 3.42Å; E96-K98 WeakPolarHBondContact OE2-CE 3.28Å; E96-K98 IonicContact OE2-NZ 2.78Å; E96-K98 PolarHBondContact OE2-NZ 3.46Å; K98-G100 PolarHBondContact O-N 2.77Å; K98-G100 VanDerWaalsContact O-N 3.08Å; K98-E101 PolarHBondContact N-O 3.06Å; K98-E101 PolarHBondContact O-N 3.38Å; K98-E101 VanDerWaalsContact O-O 3.12Å; K98-V103 HydrophobicContact CB-CG2 4.14Å; K98-V103 HydrophobicContact CD-CG2 4.49Å
99D83.7Confident86.4Confident179 Ų17992.1 Ų92.196%0.95746%0.464SS*.THydrogen-bonded Turntrans51.931.8177.8-59.8-35.7000114.8E101D99-E101 VanDerWaalsContact C-N 3.34Å
100G84.9Confident86.4Confident73 Ų7388.7 Ų88.775%0.75344%0.441SS*.THydrogen-bonded Turntrans84.11.4-179.100000115K98K98-G100 PolarHBondContact O-N 2.77Å; K98-G100 VanDerWaalsContact O-N 3.08Å
101E81.6Confident85.6Confident148 Ų14892.6 Ų92.669%0.69246%0.455SS*.EExtended strand (participates in β ladder)trans-108.5136.6172.6-64.8-172.7169.900110.9K98 D99 V103K98-E101 PolarHBondContact N-O 3.06Å; K98-E101 PolarHBondContact O-N 3.38Å; K98-E101 VanDerWaalsContact O-O 3.12Å; D99-E101 VanDerWaalsContact C-N 3.34Å; E101-V103 PolarHBondContact O-N 2.91Å
102T85.5Confident84.6Confident84 Ų8489 Ų8952%0.51544%0.443SS..EExtended strand (participates in β ladder)trans-78.1107173.4-53.10000109.5R95R95-T102 HydrophobicContact CB-CG2 4.02Å; R95-T102 HydrophobicContact CG-CG2 4.41Å
103V86.6Confident83.9Confident60 Ų6093 Ų9336%0.36446%0.461SS..EExtended strand (participates in β ladder)trans-86.9120.2173.2-178.20000108.9E96 K98 E101E96-V103 PolarHBondContact N-O 3.47Å; E96-V103 PolarHBondContact O-N 3.17Å; K98-V103 HydrophobicContact CB-CG2 4.14Å; K98-V103 HydrophobicContact CD-CG2 4.49Å; E101-V103 PolarHBondContact O-N 2.91Å
104I88.4Confident83.5Confident93 Ų9390.5 Ų90.548%0.47745%0.451SS..EExtended strand (participates in β ladder)trans-93.7124.6174.1-57.8-179.4000108.4E93 R95E93-I104 HydrophobicContact CG-CG2 3.41Å; E93-I104 VanDerWaalsContact CG-CG2 3.41Å; R95-I104 HydrophobicContact CG-CG1 4.43Å
105S91.1Very high83.6Confident42 Ų4286.7 Ų86.729%0.29444%0.435SS..EExtended strand (participates in β ladder)trans-130.8158.7175.761.50000110.2K94K94-S105 PolarHBondContact N-O 3.3Å; K94-S105 PolarHBondContact O-N 3.36Å; K94-S105 PolarHBondContact O-OG 2.83Å
106W91.1Very high83.8Confident158 Ų15878.9 Ų78.960%0.59841%0.405SS*.EExtended strand (participates in β ladder)trans-107.8123.1176.4-69.490.3000109.1E91 E93E91-W106 HydrophobicContact CB-CB 4.14Å; E91-W106 HydrophobicContact CB-CE3 3.99Å; E93-W106 HydrophobicContact CB-CE3 4.4Å; E93-W106 HydrophobicContact CB-CH2 4.14Å; E93-W106 HydrophobicContact CB-CZ2 4.42Å; E93-W106 HydrophobicContact CB-CZ3 4.13Å
107E89Confident84Confident69 Ų6978.4 Ų78.432%0.32241%0.406SS..EExtended strand (participates in β ladder)trans-106.8121.9179.9-175.5-168.816000109.6R76 E91 I92 I109R76-E107 IonicContact CZ-OE1 3.34Å; R76-E107 IonicContact CZ-OE2 3.09Å; R76-E107 IonicContact NH1-OE1 3.4Å; R76-E107 PolarHBondContact NH1-OE1 2.93Å; R76-E107 IonicContact NH1-OE2 2.79Å; R76-E107 PolarHBondContact NH1-OE2 2.83Å; R76-E107 VanDerWaalsContact NH1-OE2 3.09Å; R76-E107 IonicContact NH2-OE2 3.62Å; R76-E107 PolarHBondContact NH2-OE2 3.39Å; E91-E107 CarbonylContact C-O 3.57Å; E91-E107 WeakPolarHBondContact CA-O 3.1Å; I92-E107 HydrophobicContact CG2-CB 4.31Å; I92-E107 PolarHBondContact N-O 3.32Å; I92-E107 PolarHBondContact O-N 2.89Å; E107-I109 HydrophobicContact CG-CG2 4.45Å; E107-I109 PolarHBondContact O-N 3.3Å
108K85.5Confident84.3Confident103 Ų10372.2 Ų72.245%0.44838%0.376SS..EExtended strand (participates in β ladder)trans-67.3121171.1-179.4-172.7169.1-166.30110.1P89 E91 N110 K111 A112P89-K108 HydrophobicContact CB-CD 4.17Å; P89-K108 HydrophobicContact CB-CG 4.18Å; E91-K108 HydrophobicContact CG-CB 4.36Å; K108-N110 WeakPolarHBondContact CE-O 3.24Å; K108-K111 PolarHBondContact NZ-O 3.13Å; K108-A112 VanDerWaalsContact CE-CB 3.43Å; K108-A112 VanDerWaalsContact NZ-CB 3.32Å
109I85Confident84.8Confident31 Ų3171.4 Ų71.416%0.15938%0.377CS..  trans-110.9-23.6-174.650.9169.2000114.3R76 I79 V90 I92 E107R76-I109 HydrophobicContact CG-CD1 4.4Å; R76-I109 HydrophobicContact CG-CG2 4.3Å; R76-I109 VanDerWaalsContact NH1-CG2 3.28Å; I79-I109 HydrophobicContact CB-CD1 3.87Å; I79-I109 HydrophobicContact CD1-CD1 3.35Å; I79-I109 HydrophobicContact CG1-CD1 4.19Å; I79-I109 HydrophobicContact CG2-CD1 3.6Å; I79-I109 HydrophobicContact CG2-CG1 3.9Å; V90-I109 HydrophobicContact CG1-CD1 4.43Å; V90-I109 HydrophobicContact CG1-CG1 4.37Å; V90-I109 VanDerWaalsContact O-CG1 3.29Å; V90-I109 WeakPolarHBondContact O-CG1 3.28Å; V90-I109 PolarHBondContact O-N 3.38Å; I92-I109 HydrophobicContact CB-CD1 3.97Å; I92-I109 HydrophobicContact CB-CG2 4.33Å; I92-I109 HydrophobicContact CG2-CD1 4.28Å; I92-I109 HydrophobicContact CG2-CG2 3.51Å; E107-I109 HydrophobicContact CG-CG2 4.45Å; E107-I109 PolarHBondContact O-N 3.3Å
110N82.4Confident85.2Confident4 Ų467.7 Ų67.72%0.02135%0.352CS..SBendtrans-82.4149.2173.477-37.5000110.6I79 S83 D84 I86 L88 P89 V90 K108 A112I79-N110 HydrophobicContact CG2-CB 4.45Å; S83-N110 PolarHBondContact O-ND2 3.14Å; D84-N110 VanDerWaalsContact OD1-CA 3.28Å; D84-N110 WeakPolarHBondContact OD1-CA 3.45Å; I86-N110 PolarHBondContact O-ND2 2.97Å; I86-N110 VanDerWaalsContact O-ND2 3.13Å; L88-N110 PolarHBondContact O-ND2 3.15Å; P89-N110 WeakPolarHBondContact CA-OD1 3.27Å; V90-N110 HydrophobicContact CB-CB 4.17Å; V90-N110 HydrophobicContact CG2-CB 4.34Å; V90-N110 PolarHBondContact N-OD1 3.08Å; K108-N110 WeakPolarHBondContact CE-O 3.24Å; N110-A112 PolarHBondContact O-N 2.86Å
111K71.1Confident85.5Confident123 Ų12369.7 Ų69.754%0.53536%0.355SS..  trans-59.6-28.8174.8-68.8174.3-1721640112.2D84 K108 Q113D84-K111 HydrophobicContact CB-CB 4.48Å; D84-K111 HydrophobicContact CB-CD 4.48Å; D84-K111 PolarHBondContact OD1-N 3.38Å; D84-K111 WeakPolarHBondContact OD2-CD 3.44Å; D84-K111 VanDerWaalsContact OD2-CE 3.27Å; D84-K111 WeakPolarHBondContact OD2-CE 3.35Å; D84-K111 IonicContact OD2-NZ 2.77Å; K108-K111 PolarHBondContact NZ-O 3.13Å; K111-Q113 HydrophobicContact CB-CB 4.46Å; K111-Q113 HydrophobicContact CB-CG 4.41Å; K111-Q113 PolarHBondContact O-N 3.46Å
112A69.3Low85.8Confident26 Ų2667.9 Ų67.922%0.21535%0.346CS..  trans48.535.6-170.500000112.5D84 I86 K108 N110D84-A112 PolarHBondContact O-N 3.21Å; I86-A112 WeakPolarHBondContact O-CA 3.44Å; K108-A112 VanDerWaalsContact CE-CB 3.43Å; K108-A112 VanDerWaalsContact NZ-CB 3.32Å; N110-A112 PolarHBondContact O-N 2.86Å
113Q75.2Confident86.1Confident108 Ų10864.5 Ų64.551%0.50533%0.325SS..  trans-96.8115.6171.3-73.4-172.3-20.800107.5K111 L115K111-Q113 HydrophobicContact CB-CB 4.46Å; K111-Q113 HydrophobicContact CB-CG 4.41Å; K111-Q113 PolarHBondContact O-N 3.46Å; Q113-L115 PolarHBondContact O-N 3.35Å
114A82.4Confident86.4Confident12 Ų1264.8 Ų64.810%0.09933%0.327CS..  trans-50.7124.8174.100000110.7W116 T117A114-W116 HydrophobicContact CB-CD2 3.81Å; A114-W116 HydrophobicContact CB-CE3 3.76Å; A114-W116 HydrophobicContact CB-CH2 3.47Å; A114-W116 VanDerWaalsContact CB-CH2 3.47Å; A114-W116 HydrophobicContact CB-CZ2 3.49Å; A114-W116 VanDerWaalsContact CB-CZ2 3.49Å; A114-W116 HydrophobicContact CB-CZ3 3.59Å; A114-W116 PolarHBondContact O-N 3Å; A114-W116 VanDerWaalsContact O-N 3.14Å; A114-T117 HydrophobicContact CB-CG2 3.91Å; A114-T117 WeakPolarHBondContact O-CB 3.25Å; A114-T117 PolarHBondContact O-N 3.28Å; A114-T117 PolarHBondContact O-OG1 3.31Å
115L88.6Confident86.8Confident0 Ų064.7 Ų64.70%033%0.328CS..G310 helixtrans-53.3-40.7-172.7-178.4146.8000112.5H85 Q113 T117 R118 I123 E127 Y128 F131 L159H85-L115 HydrophobicContact CB-CB 3.97Å; H85-L115 HydrophobicContact CB-CD1 4.17Å; Q113-L115 PolarHBondContact O-N 3.35Å; L115-T117 PolarHBondContact O-N 3.4Å; L115-T117 VanDerWaalsContact O-N 3.15Å; L115-R118 PolarHBondContact O-N 3.32Å; L115-I123 HydrophobicContact CD1-CG2 3.92Å; L115-I123 HydrophobicContact CD2-CD1 4.04Å; L115-I123 HydrophobicContact CD2-CG2 4.14Å; L115-I123 HydrophobicContact CG-CD1 4.23Å; L115-I123 HydrophobicContact CG-CG2 4.05Å; L115-I123 WeakPolarHBondContact O-CD1 3.36Å; L115-E127 HydrophobicContact CD1-CB 4Å; L115-E127 WeakPolarHBondContact CD1-O 3.39Å; L115-Y128 HydrophobicContact CD2-CD1 3.73Å; L115-Y128 HydrophobicContact CD2-CE1 3.64Å; L115-F131 HydrophobicContact CB-CD2 3.96Å; L115-F131 HydrophobicContact CB-CE2 4.27Å; L115-F131 HydrophobicContact CB-CG 4.22Å; L115-F131 HydrophobicContact CD1-CB 3.74Å; L115-F131 HydrophobicContact CD1-CD2 4.47Å; L115-F131 HydrophobicContact CD1-CG 4.13Å; L115-L159 HydrophobicContact CD2-CD2 3.58Å
116W91.3Very high86.8Confident8 Ų868.4 Ų68.43%0.0334%0.34CS..G310 helixtrans-67.5-11.5-179.566.991.3000114.2A114 F131 H147 T157 L159 Y182 L206 D208A114-W116 HydrophobicContact CB-CD2 3.81Å; A114-W116 HydrophobicContact CB-CE3 3.76Å; A114-W116 HydrophobicContact CB-CH2 3.47Å; A114-W116 VanDerWaalsContact CB-CH2 3.47Å; A114-W116 HydrophobicContact CB-CZ2 3.49Å; A114-W116 VanDerWaalsContact CB-CZ2 3.49Å; A114-W116 HydrophobicContact CB-CZ3 3.59Å; A114-W116 PolarHBondContact O-N 3Å; A114-W116 VanDerWaalsContact O-N 3.14Å; W116-F131 HydrophobicContact CE3-CE1 4.4Å; W116-F131 HydrophobicContact CE3-CE2 4.17Å; W116-F131 AromaticContact CE3-CZ 3.63Å; W116-F131 HydrophobicContact CE3-CZ 3.63Å; W116-F131 AromaticContact CZ3-CE2 3.93Å; W116-F131 HydrophobicContact CZ3-CE2 3.93Å; W116-F131 AromaticContact CZ3-CZ 3.57Å; W116-F131 HydrophobicContact CZ3-CZ 3.57Å; W116-H147 PolarHBondContact O-NE2 3.37Å; W116-H147 VanDerWaalsContact O-NE2 3.14Å; W116-T157 HydrophobicContact CB-CG2 4.03Å; W116-T157 WeakPolarHBondContact O-CG2 3.11Å; W116-L159 HydrophobicContact CB-CB 4.42Å; W116-L159 HydrophobicContact CB-CD2 4.33Å; W116-Y182 AromaticContact CH2-CD1 3.9Å; W116-Y182 HydrophobicContact CH2-CD1 3.9Å; W116-Y182 HydrophobicContact CH2-CD2 4.28Å; W116-Y182 AromaticContact CH2-CE1 3.51Å; W116-Y182 HydrophobicContact CH2-CE1 3.51Å; W116-Y182 AromaticContact CH2-CE2 3.94Å; W116-Y182 HydrophobicContact CH2-CE2 3.94Å; W116-Y182 HydrophobicContact CH2-CG 4.28Å; W116-Y182 AromaticContact CH2-CZ 3.55Å; W116-Y182 AromaticContact CZ2-CD1 3.59Å; W116-Y182 HydrophobicContact CZ2-CD1 3.59Å; W116-Y182 HydrophobicContact CZ2-CD2 4.11Å; W116-Y182 AromaticContact CZ2-CE1 3.73Å; W116-Y182 HydrophobicContact CZ2-CE1 3.73Å; W116-Y182 HydrophobicContact CZ2-CE2 4.24Å; W116-Y182 AromaticContact CZ2-CG 3.8Å; W116-Y182 HydrophobicContact CZ2-CG 3.8Å; W116-L206 HydrophobicContact CB-CD1 4.12Å; W116-L206 HydrophobicContact CD2-CD1 3.77Å; W116-L206 HydrophobicContact CD2-CD2 3.76Å; W116-L206 HydrophobicContact CD2-CG 4.46Å; W116-L206 HydrophobicContact CE3-CD1 4.21Å; W116-L206 HydrophobicContact CE3-CD2 3.3Å; W116-L206 HydrophobicContact CE3-CG 4.41Å; W116-L206 HydrophobicContact CG-CD1 3.74Å; W116-L206 HydrophobicContact CG-CD2 4.42Å; W116-L206 HydrophobicContact CH2-CD2 4.24Å; W116-L206 HydrophobicContact CZ3-CD2 3.58Å; W116-D208 PolarHBondContact NE1-OD2 3.07Å
117T88.8Confident86.8Confident46 Ų4662.8 Ų62.828%0.28232%0.32SS..G310 helixtrans-89.1-11.3176.868.30000113.7A114 L115 R185A114-T117 HydrophobicContact CB-CG2 3.91Å; A114-T117 WeakPolarHBondContact O-CB 3.25Å; A114-T117 PolarHBondContact O-N 3.28Å; A114-T117 PolarHBondContact O-OG1 3.31Å; L115-T117 PolarHBondContact O-N 3.4Å; L115-T117 VanDerWaalsContact O-N 3.15Å; T117-R185 HydrophobicContact CG2-CG 4.12Å
118R90.1Very high87.1Confident36 Ų3660 Ų6014%0.13631%0.307CS..SBendtrans-83158.3179.7-69.7163.656-171.4-2.9111.3L115 E122 I123 E127L115-R118 PolarHBondContact O-N 3.32Å; R118-E122 PolarHBondContact NH2-O 3.3Å; R118-I123 HydrophobicContact CB-CD1 3.89Å; R118-I123 HydrophobicContact CB-CG1 3.91Å; R118-E127 IonicContact CZ-OE1 2.76Å; R118-E127 IonicContact NH1-OE1 3.73Å; R118-E127 PolarHBondContact NH1-OE1 2.99Å; R118-E127 IonicContact NH2-OE1 2.78Å; R118-E127 PolarHBondContact NH2-OE1 2.69Å; R118-E127 IonicContact NH2-OE2 3.11Å; R118-E127 PolarHBondContact NH2-OE2 2.89Å
119N89.1Confident87.6Confident96 Ų9657.5 Ų57.551%0.51330%0.296SS..  trans-65.5136.2172.6-69.2-45.4000110.4S121 E122 I123N119-S121 PolarHBondContact O-N 3.16Å; N119-S121 VanDerWaalsContact O-N 3.13Å; N119-E122 HydrophobicContact CB-CG 4.14Å; N119-E122 PolarHBondContact ND2-OE1 2.92Å; N119-E122 WeakPolarHBondContact O-CB 3.45Å; N119-E122 PolarHBondContact O-N 3.44Å; N119-I123 WeakPolarHBondContact O-CG1 3.38Å
120K91.5Very high87.8Confident102 Ų10258.8 Ų58.844%0.44330%0.302SS..G310 helixtrans-57.3-32.5-178.3-57.1-174.7-162.2175.60113.6E122 I123 H147K120-E122 PolarHBondContact O-N 2.82Å; K120-I123 PolarHBondContact O-N 2.75Å; K120-H147 HydrophobicContact CD-CB 4.34Å; K120-H147 WeakPolarHBondContact CE-O 3.13Å; K120-H147 PolarHBondContact NZ-O 3.13Å
121S91.7Very high88.2Confident115 Ų11558.8 Ų58.880%0.80430%0.302SS*.G310 helixtrans-70.1-16.2178.552.30000113.9N119N119-S121 PolarHBondContact O-N 3.16Å; N119-S121 VanDerWaalsContact O-N 3.13Å
122E88.6Confident89.3Confident110 Ų11053.1 Ų53.151%0.51428%0.277SS..G310 helixtrans-101.21179.7-62.6167.4-156.500112R118 N119 K120R118-E122 PolarHBondContact NH2-O 3.3Å; N119-E122 HydrophobicContact CB-CG 4.14Å; N119-E122 PolarHBondContact ND2-OE1 2.92Å; N119-E122 WeakPolarHBondContact O-CB 3.45Å; N119-E122 PolarHBondContact O-N 3.44Å; K120-E122 PolarHBondContact O-N 2.82Å
123I91.9Very high90.2Very high12 Ų1254 Ų546%0.06228%0.276CS..  trans-110.2120.2-178.9-54.2164.1000107.8L115 R118 N119 K120 E127 Y128L115-I123 HydrophobicContact CD1-CG2 3.92Å; L115-I123 HydrophobicContact CD2-CD1 4.04Å; L115-I123 HydrophobicContact CD2-CG2 4.14Å; L115-I123 HydrophobicContact CG-CD1 4.23Å; L115-I123 HydrophobicContact CG-CG2 4.05Å; L115-I123 WeakPolarHBondContact O-CD1 3.36Å; R118-I123 HydrophobicContact CB-CD1 3.89Å; R118-I123 HydrophobicContact CB-CG1 3.91Å; N119-I123 WeakPolarHBondContact O-CG1 3.38Å; K120-I123 PolarHBondContact O-N 2.75Å; I123-E127 HydrophobicContact CG2-CB 3.91Å; I123-Y128 HydrophobicContact CB-CD2 4.43Å; I123-Y128 HydrophobicContact CB-CE2 3.71Å; I123-Y128 HydrophobicContact CD1-CE1 4.33Å; I123-Y128 WeakPolarHBondContact CD1-OH 3.47Å; I123-Y128 HydrophobicContact CG2-CD1 4.22Å; I123-Y128 HydrophobicContact CG2-CD2 3.63Å; I123-Y128 HydrophobicContact CG2-CE1 4Å; I123-Y128 HydrophobicContact CG2-CE2 3.37Å; I123-Y128 HydrophobicContact CG2-CG 4.05Å
124T93.2Very high90.7Very high67 Ų6753.3 Ų53.341%0.41127%0.272SS..  trans-77159.6175.857.90000111.8E126 E127 Y128T124-E126 VanDerWaalsContact C-N 3.27Å; T124-E126 PolarHBondContact O-N 3.25Å; T124-E127 PolarHBondContact N-OE2 3.14Å; T124-E127 PolarHBondContact O-N 3.1Å; T124-E127 VanDerWaalsContact O-N 3.16Å; T124-E127 WeakPolarHBondContact OG1-CG 3.25Å; T124-E127 PolarHBondContact OG1-N 2.88Å; T124-E127 PolarHBondContact OG1-OE2 2.77Å; T124-Y128 VanDerWaalsContact O-CD2 3.25Å; T124-Y128 WeakPolarHBondContact O-CD2 3.22Å; T124-Y128 PolarHBondContact O-N 2.67Å
125D95.5Very high90.9Very high91 Ų9153.4 Ų53.449%0.48727%0.271SS..Hα-helixtrans-60.4-39.2175.5-75.711.4000111.2E127 Y128 K129 W145D125-E127 VanDerWaalsContact C-N 3.33Å; D125-E127 PolarHBondContact O-N 3.44Å; D125-Y128 PolarHBondContact O-N 2.8Å; D125-K129 VanDerWaalsContact O-CG 3.24Å; D125-K129 WeakPolarHBondContact O-CG 3.33Å; D125-K129 PolarHBondContact O-N 2.89Å; D125-W145 HydrophobicContact CB-CH2 3.92Å; D125-W145 HydrophobicContact CB-CZ2 4Å; D125-W145 WeakPolarHBondContact OD1-CZ2 3Å
126E92.6Very high90.8Very high120 Ų12054.6 Ų54.656%0.56128%0.281SS*.Hα-helixtrans-58.5-43.1174.3-7168-149.500111.7T124 Y128 K129 E130T124-E126 VanDerWaalsContact C-N 3.27Å; T124-E126 PolarHBondContact O-N 3.25Å; E126-Y128 PolarHBondContact O-N 3.23Å; E126-K129 PolarHBondContact O-N 2.83Å; E126-E130 WeakPolarHBondContact O-CG 3.47Å; E126-E130 PolarHBondContact O-N 3.48Å
127E90.7Very high90.5Very high39 Ų3960.9 Ų60.918%0.18231%0.31CS..Hα-helixtrans-64.9-38.1177.4-74.1172.1101.800112.6L115 R118 I123 T124 D125 F131L115-E127 HydrophobicContact CD1-CB 4Å; L115-E127 WeakPolarHBondContact CD1-O 3.39Å; R118-E127 IonicContact CZ-OE1 2.76Å; R118-E127 IonicContact NH1-OE1 3.73Å; R118-E127 PolarHBondContact NH1-OE1 2.99Å; R118-E127 IonicContact NH2-OE1 2.78Å; R118-E127 PolarHBondContact NH2-OE1 2.69Å; R118-E127 IonicContact NH2-OE2 3.11Å; R118-E127 PolarHBondContact NH2-OE2 2.89Å; I123-E127 HydrophobicContact CG2-CB 3.91Å; T124-E127 PolarHBondContact N-OE2 3.14Å; T124-E127 PolarHBondContact O-N 3.1Å; T124-E127 VanDerWaalsContact O-N 3.16Å; T124-E127 WeakPolarHBondContact OG1-CG 3.25Å; T124-E127 PolarHBondContact OG1-N 2.88Å; T124-E127 PolarHBondContact OG1-OE2 2.77Å; D125-E127 VanDerWaalsContact C-N 3.33Å; D125-E127 PolarHBondContact O-N 3.44Å; E127-F131 VanDerWaalsContact O-CB 3.25Å; E127-F131 WeakPolarHBondContact O-CB 3.46Å; E127-F131 PolarHBondContact O-N 3.46Å
128Y95.1Very high90.4Very high11 Ų1160 Ų604%0.04330%0.304CS..Hα-helixtrans-63.4-43.9173-76.6-68.6000111.7L115 I123 T124 D125 E126 F131 Y132 W145 H147 L159 Y161L115-Y128 HydrophobicContact CD2-CD1 3.73Å; L115-Y128 HydrophobicContact CD2-CE1 3.64Å; I123-Y128 HydrophobicContact CB-CD2 4.43Å; I123-Y128 HydrophobicContact CB-CE2 3.71Å; I123-Y128 HydrophobicContact CD1-CE1 4.33Å; I123-Y128 WeakPolarHBondContact CD1-OH 3.47Å; I123-Y128 HydrophobicContact CG2-CD1 4.22Å; I123-Y128 HydrophobicContact CG2-CD2 3.63Å; I123-Y128 HydrophobicContact CG2-CE1 4Å; I123-Y128 HydrophobicContact CG2-CE2 3.37Å; I123-Y128 HydrophobicContact CG2-CG 4.05Å; T124-Y128 VanDerWaalsContact O-CD2 3.25Å; T124-Y128 WeakPolarHBondContact O-CD2 3.22Å; T124-Y128 PolarHBondContact O-N 2.67Å; D125-Y128 PolarHBondContact O-N 2.8Å; E126-Y128 PolarHBondContact O-N 3.23Å; Y128-F131 PolarHBondContact O-N 3.17Å; Y128-Y132 WeakPolarHBondContact O-CB 3.33Å; Y128-Y132 PolarHBondContact O-N 2.94Å; Y128-W145 AromaticContact CD1-CD1 3.77Å; Y128-W145 AromaticContact CD1-NE1 3.76Å; Y128-W145 AromaticContact CD2-CE2 3.79Å; Y128-W145 HydrophobicContact CD2-CZ2 4Å; Y128-W145 AromaticContact CD2-NE1 3.26Å; Y128-W145 VanDerWaalsContact CD2-NE1 3.26Å; Y128-W145 AromaticContact CE2-NE1 3.65Å; Y128-W145 AromaticContact CG-CD1 3.8Å; Y128-W145 HydrophobicContact CG-CD2 4.46Å; Y128-W145 AromaticContact CG-CE2 3.8Å; Y128-W145 HydrophobicContact CG-CG 4.48Å; Y128-W145 HydrophobicContact CG-CZ2 4.28Å; Y128-W145 AromaticContact CG-NE1 3.33Å; Y128-W145 VanDerWaalsContact CG-NE1 3.33Å; Y128-H147 HydrophobicContact CE1-CB 3.94Å; Y128-H147 AromaticContact CE1-ND1 3.6Å; Y128-H147 AromaticContact CZ-ND1 3.67Å; Y128-H147 PolarHBondContact OH-ND1 3.34Å; Y128-L159 HydrophobicContact CD1-CD1 3.88Å; Y128-L159 HydrophobicContact CD1-CD2 4.46Å; Y128-L159 HydrophobicContact CE1-CD1 3.77Å; Y128-L159 HydrophobicContact CE1-CD2 4.49Å; Y128-Y161 PolarHBondContact O-OH 2.96Å; Y128-Y161 VanDerWaalsContact O-OH 3.1Å
129K95.2Very high90.3Very high51 Ų5164 Ų6422%0.22232%0.323CS..Hα-helixtrans-63.8-46.7179.4-69.3167.7169-158.20111.8D125 E126 F131 Y132 K133 D141 W145D125-K129 VanDerWaalsContact O-CG 3.24Å; D125-K129 WeakPolarHBondContact O-CG 3.33Å; D125-K129 PolarHBondContact O-N 2.89Å; E126-K129 PolarHBondContact O-N 2.83Å; K129-F131 VanDerWaalsContact C-N 3.34Å; K129-F131 PolarHBondContact O-N 3.14Å; K129-Y132 WeakPolarHBondContact O-CB 3.41Å; K129-Y132 PolarHBondContact O-N 3.25Å; K129-K133 WeakPolarHBondContact O-CG 3.38Å; K129-K133 PolarHBondContact O-N 2.65Å; K129-D141 HydrophobicContact CD-CB 4.43Å; K129-D141 WeakPolarHBondContact CD-OD2 3.48Å; K129-D141 VanDerWaalsContact CE-OD2 3.28Å; K129-D141 WeakPolarHBondContact CE-OD2 3.3Å; K129-D141 HydrophobicContact CG-CB 4.46Å; K129-D141 IonicContact NZ-OD2 3.09Å; K129-D141 PolarHBondContact NZ-OD2 3.5Å; K129-W145 HydrophobicContact CG-CZ3 4.4Å
130E89.6Confident90.4Very high57 Ų5762.9 Ų62.927%0.26632%0.316SS..Hα-helixtrans-65.8-39.7178.3-67.6-52.5119.700111.5Y82 E126 Y132 K133 H134Y82-E130 HydrophobicContact CD1-CG 4.22Å; E126-E130 WeakPolarHBondContact O-CG 3.47Å; E126-E130 PolarHBondContact O-N 3.48Å; E130-Y132 PolarHBondContact O-N 3.31Å; E130-K133 PolarHBondContact O-N 2.89Å; E130-K133 IonicContact OE1-NZ 3.16Å; E130-K133 PolarHBondContact OE1-NZ 2.96Å; E130-H134 WeakPolarHBondContact O-CB 3.48Å; E130-H134 PolarHBondContact O-N 2.76Å
131F90.5Very high90.7Very high5 Ų560.9 Ų60.92%0.02231%0.31CS..Hα-helixtrans-62.6-42.7173.3-175.8-97.3000112.1H85 L115 W116 E127 Y128 K129 H134 I135 L159 Y161 L206H85-F131 HydrophobicContact CB-CD2 4.26Å; H85-F131 AromaticContact CD2-CD2 3.62Å; L115-F131 HydrophobicContact CB-CD2 3.96Å; L115-F131 HydrophobicContact CB-CE2 4.27Å; L115-F131 HydrophobicContact CB-CG 4.22Å; L115-F131 HydrophobicContact CD1-CB 3.74Å; L115-F131 HydrophobicContact CD1-CD2 4.47Å; L115-F131 HydrophobicContact CD1-CG 4.13Å; W116-F131 HydrophobicContact CE3-CE1 4.4Å; W116-F131 HydrophobicContact CE3-CE2 4.17Å; W116-F131 AromaticContact CE3-CZ 3.63Å; W116-F131 HydrophobicContact CE3-CZ 3.63Å; W116-F131 AromaticContact CZ3-CE2 3.93Å; W116-F131 HydrophobicContact CZ3-CE2 3.93Å; W116-F131 AromaticContact CZ3-CZ 3.57Å; W116-F131 HydrophobicContact CZ3-CZ 3.57Å; E127-F131 VanDerWaalsContact O-CB 3.25Å; E127-F131 WeakPolarHBondContact O-CB 3.46Å; E127-F131 PolarHBondContact O-N 3.46Å; Y128-F131 PolarHBondContact O-N 3.17Å; K129-F131 VanDerWaalsContact C-N 3.34Å; K129-F131 PolarHBondContact O-N 3.14Å; F131-H134 PolarHBondContact O-N 3.24Å; F131-I135 HydrophobicContact CD1-CD1 4.19Å; F131-I135 HydrophobicContact CD1-CG1 4.48Å; F131-I135 HydrophobicContact CD1-CG2 4.23Å; F131-I135 HydrophobicContact CD2-CG2 4.43Å; F131-I135 HydrophobicContact CE1-CD1 3.8Å; F131-I135 HydrophobicContact CE1-CG1 4.36Å; F131-I135 HydrophobicContact CE1-CG2 3.75Å; F131-I135 HydrophobicContact CE2-CG2 3.96Å; F131-I135 HydrophobicContact CZ-CG2 3.59Å; F131-I135 WeakPolarHBondContact O-CG1 3.35Å; F131-I135 PolarHBondContact O-N 2.6Å; F131-L159 HydrophobicContact CD1-CD2 3.77Å; F131-L159 HydrophobicContact CE1-CD2 3.68Å; F131-Y161 HydrophobicContact CD1-CE2 4.22Å; F131-L206 HydrophobicContact CE1-CD2 3.64Å; F131-L206 HydrophobicContact CZ-CD2 3.53Å
132Y93.5Very high90.9Very high3 Ų355.7 Ų55.71%0.01227%0.274CS..Hα-helixtrans-55.3-53.2173165.5-99.8000111.6Y128 K129 E130 H134 I135 A136 D138 N140 P142 Y161 P163 R204Y128-Y132 WeakPolarHBondContact O-CB 3.33Å; Y128-Y132 PolarHBondContact O-N 2.94Å; K129-Y132 WeakPolarHBondContact O-CB 3.41Å; K129-Y132 PolarHBondContact O-N 3.25Å; E130-Y132 PolarHBondContact O-N 3.31Å; Y132-H134 PolarHBondContact O-N 3.25Å; Y132-I135 WeakPolarHBondContact O-CG1 3.24Å; Y132-I135 PolarHBondContact O-N 3.21Å; Y132-I135 VanDerWaalsContact O-N 3.14Å; Y132-A136 HydrophobicContact CD2-CB 3.94Å; Y132-A136 HydrophobicContact CE2-CB 3.6Å; Y132-A136 VanDerWaalsContact O-CB 3.24Å; Y132-A136 WeakPolarHBondContact O-CB 3.44Å; Y132-A136 PolarHBondContact O-N 2.9Å; Y132-D138 HydrophobicContact CE1-CB 3.7Å; Y132-D138 WeakPolarHBondContact CE1-OD2 3.39Å; Y132-D138 PolarHBondContact OH-OD2 2.95Å; Y132-N140 VanDerWaalsContact CE1-O 3.3Å; Y132-N140 WeakPolarHBondContact CE1-O 3.5Å; Y132-P142 HydrophobicContact CD1-CB 3.95Å; Y132-P142 VanDerWaalsContact CD1-CD 3.46Å; Y132-P142 HydrophobicContact CD1-CG 3.89Å; Y132-P142 HydrophobicContact CD2-CB 4.08Å; Y132-P142 HydrophobicContact CD2-CG 4.42Å; Y132-P142 HydrophobicContact CE1-CB 4.08Å; Y132-P142 HydrophobicContact CE1-CG 4.46Å; Y132-P142 HydrophobicContact CE2-CB 4.19Å; Y132-P142 HydrophobicContact CG-CB 3.94Å; Y132-P142 HydrophobicContact CG-CG 3.85Å; Y132-Y161 VanDerWaalsContact CD2-CB 3.49Å; Y132-Y161 AromaticContact CD2-CD1 3.83Å; Y132-Y161 HydrophobicContact CD2-CD1 3.83Å; Y132-Y161 AromaticContact CD2-CD2 3.95Å; Y132-Y161 HydrophobicContact CD2-CD2 3.95Å; Y132-Y161 AromaticContact CD2-CG 3.49Å; Y132-Y161 HydrophobicContact CD2-CG 3.49Å; Y132-Y161 VanDerWaalsContact CD2-CG 3.49Å; Y132-Y161 HydrophobicContact CE2-CG 4.34Å; Y132-Y161 HydrophobicContact CG-CD1 4.06Å; Y132-Y161 HydrophobicContact CG-CE1 4.49Å; Y132-Y161 HydrophobicContact CG-CG 4.17Å; Y132-P163 HydrophobicContact CE2-CG 4.47Å; Y132-P163 WeakPolarHBondContact OH-CA 3.42Å; Y132-P163 WeakPolarHBondContact OH-CB 3.32Å; Y132-P163 WeakPolarHBondContact OH-CG 3.32Å; Y132-R204 HydrophobicContact CE2-CB 4.15Å
133K89.8Confident91.3Very high46 Ų4651 Ų5120%0.225%0.253CS..Hα-helixtrans-55.7-43.2-179.7-70.4173-173161.80111.4K129 E130 H137 D138 F139 D141K129-K133 WeakPolarHBondContact O-CG 3.38Å; K129-K133 PolarHBondContact O-N 2.65Å; E130-K133 PolarHBondContact O-N 2.89Å; E130-K133 IonicContact OE1-NZ 3.16Å; E130-K133 PolarHBondContact OE1-NZ 2.96Å; K133-H137 WeakPolarHBondContact O-CA 3.36Å; K133-H137 PolarHBondContact O-N 3.43Å; K133-D138 WeakPolarHBondContact CA-O 3.38Å; K133-D138 WeakPolarHBondContact CB-O 3.49Å; K133-D138 VanDerWaalsContact CG-O 3.25Å; K133-D138 WeakPolarHBondContact CG-O 3.28Å; K133-D138 PolarHBondContact O-N 3.44Å; K133-F139 WeakPolarHBondContact CE-O 3.21Å; K133-D141 WeakPolarHBondContact CE-OD1 3.25Å; K133-D141 IonicContact NZ-OD1 3.78Å; K133-D141 PolarHBondContact NZ-OD1 2.97Å
134H85Confident91.6Very high92 Ų9251.8 Ų51.843%0.42626%0.258SS..Hα-helixtrans-62.8-48.7176.1177.3-85.5000112.8E130 F131 Y132E130-H134 WeakPolarHBondContact O-CB 3.48Å; E130-H134 PolarHBondContact O-N 2.76Å; F131-H134 PolarHBondContact O-N 3.24Å; Y132-H134 PolarHBondContact O-N 3.25Å
135I86.2Confident91.8Very high15 Ų1551.1 Ų51.18%0.07725%0.248CC..Hα-helixtrans-80.1-28.9-174.866.3164.9000114.3F131 Y132 Y161 K180F131-I135 HydrophobicContact CD1-CD1 4.19Å; F131-I135 HydrophobicContact CD1-CG1 4.48Å; F131-I135 HydrophobicContact CD1-CG2 4.23Å; F131-I135 HydrophobicContact CD2-CG2 4.43Å; F131-I135 HydrophobicContact CE1-CD1 3.8Å; F131-I135 HydrophobicContact CE1-CG1 4.36Å; F131-I135 HydrophobicContact CE1-CG2 3.75Å; F131-I135 HydrophobicContact CE2-CG2 3.96Å; F131-I135 HydrophobicContact CZ-CG2 3.59Å; F131-I135 WeakPolarHBondContact O-CG1 3.35Å; F131-I135 PolarHBondContact O-N 2.6Å; Y132-I135 WeakPolarHBondContact O-CG1 3.24Å; Y132-I135 PolarHBondContact O-N 3.21Å; Y132-I135 VanDerWaalsContact O-N 3.14Å; I135-Y161 HydrophobicContact CD1-CD2 4.18Å; I135-Y161 HydrophobicContact CD1-CE2 4Å; I135-K180 HydrophobicContact CB-CD 4.26Å; I135-K180 HydrophobicContact CG2-CD 4.45Å; I135-K180 WeakPolarHBondContact O-CE 3.34Å
136A87.4Confident91.9Very high24 Ų2447.7 Ų47.720%0.19823%0.231CC..Hα-helixtrans-94.8-9.5-176.700000112.3Y132 D138 R204Y132-A136 HydrophobicContact CD2-CB 3.94Å; Y132-A136 HydrophobicContact CE2-CB 3.6Å; Y132-A136 VanDerWaalsContact O-CB 3.24Å; Y132-A136 WeakPolarHBondContact O-CB 3.44Å; Y132-A136 PolarHBondContact O-N 2.9Å; A136-D138 HydrophobicContact CB-CB 4.24Å; A136-D138 PolarHBondContact O-N 3.37Å; A136-R204 HydrophobicContact CB-CB 4.31Å; A136-R204 HydrophobicContact CB-CG 4.28Å
137H84.6Confident92.1Very high140 Ų14042.6 Ų42.665%0.64821%0.207SC*.THydrogen-bonded Turntrans5338.1-170.8-54.9-65.6000112.1K133K133-H137 WeakPolarHBondContact O-CA 3.36Å; K133-H137 PolarHBondContact O-N 3.43Å
138D86.7Confident92.4Very high29 Ų2941.5 Ų41.516%0.15520%0.203CC..  trans-107.9146.5176.1-170.6-1.9000108.5Y132 K133 A136 N140Y132-D138 HydrophobicContact CE1-CB 3.7Å; Y132-D138 WeakPolarHBondContact CE1-OD2 3.39Å; Y132-D138 PolarHBondContact OH-OD2 2.95Å; K133-D138 WeakPolarHBondContact CA-O 3.38Å; K133-D138 WeakPolarHBondContact CB-O 3.49Å; K133-D138 VanDerWaalsContact CG-O 3.25Å; K133-D138 WeakPolarHBondContact CG-O 3.28Å; K133-D138 PolarHBondContact O-N 3.44Å; A136-D138 HydrophobicContact CB-CB 4.24Å; A136-D138 PolarHBondContact O-N 3.37Å; D138-N140 PolarHBondContact OD1-N 2.91Å; D138-N140 PolarHBondContact OD1-ND2 2.79Å; D138-N140 VanDerWaalsContact OD1-ND2 3.17Å
139F86.9Confident92.4Very high120 Ų12048.4 Ų48.453%0.52623%0.229SC..SBendtrans-99.1-15.4176.8-62-81.3000112V7 K133V7-F139 HydrophobicContact CG2-CD2 4.08Å; V7-F139 HydrophobicContact CG2-CE1 4.37Å; V7-F139 HydrophobicContact CG2-CE2 3.55Å; V7-F139 HydrophobicContact CG2-CZ 3.72Å; K133-F139 WeakPolarHBondContact CE-O 3.21Å
140N92.8Very high92.4Very high71 Ų7148 Ų4838%0.3823%0.23SC..SBendtrans-81.9156.9176.7-59.4-65000111.2Y132 D138 S164Y132-N140 VanDerWaalsContact CE1-O 3.3Å; Y132-N140 WeakPolarHBondContact CE1-O 3.5Å; D138-N140 PolarHBondContact OD1-N 2.91Å; D138-N140 PolarHBondContact OD1-ND2 2.79Å; D138-N140 VanDerWaalsContact OD1-ND2 3.17Å; N140-S164 WeakPolarHBondContact CB-OG 3.24Å
141D96.3Very high92.5Very high60 Ų6051.4 Ų51.432%0.32125%0.246SC..PPolyproline II helixtrans-71.3145.3168.3-74.3-1.8000109.8K129 K133 S164K129-D141 HydrophobicContact CD-CB 4.43Å; K129-D141 WeakPolarHBondContact CD-OD2 3.48Å; K129-D141 VanDerWaalsContact CE-OD2 3.28Å; K129-D141 WeakPolarHBondContact CE-OD2 3.3Å; K129-D141 HydrophobicContact CG-CB 4.46Å; K129-D141 IonicContact NZ-OD2 3.09Å; K129-D141 PolarHBondContact NZ-OD2 3.5Å; K133-D141 WeakPolarHBondContact CE-OD1 3.25Å; K133-D141 IonicContact NZ-OD1 3.78Å; K133-D141 PolarHBondContact NZ-OD1 2.97Å; D141-S164 VanDerWaalsContact O-CB 3.24Å; D141-S164 WeakPolarHBondContact O-CB 3.02Å; D141-S164 PolarHBondContact O-OG 2.92Å
142P97.2Very high92.5Very high7 Ų754.4 Ų54.45%0.04528%0.279CS..PPolyproline II helixtrans-68.3153171.931-32.8000110.3Y132 W145 Y161 I162Y132-P142 HydrophobicContact CD1-CB 3.95Å; Y132-P142 VanDerWaalsContact CD1-CD 3.46Å; Y132-P142 HydrophobicContact CD1-CG 3.89Å; Y132-P142 HydrophobicContact CD2-CB 4.08Å; Y132-P142 HydrophobicContact CD2-CG 4.42Å; Y132-P142 HydrophobicContact CE1-CB 4.08Å; Y132-P142 HydrophobicContact CE1-CG 4.46Å; Y132-P142 HydrophobicContact CE2-CB 4.19Å; Y132-P142 HydrophobicContact CG-CB 3.94Å; Y132-P142 HydrophobicContact CG-CG 3.85Å; P142-W145 HydrophobicContact CG-CE3 4.06Å; P142-W145 HydrophobicContact CG-CZ3 4.42Å; P142-Y161 HydrophobicContact CB-CD1 3.94Å; P142-Y161 HydrophobicContact CG-CD1 3.79Å; P142-Y161 HydrophobicContact CG-CE1 4.27Å; P142-I162 CarbonylContact C-O 3.6Å; P142-I162 WeakPolarHBondContact CA-O 3.45Å; P142-I162 WeakPolarHBondContact CB-O 3.36Å
143L97Very high92.3Very high12 Ų1263.3 Ų63.36%0.06332%0.317CS..SBendtrans-64-54.5170-68.5169000109.1I162 P163 K252 T255 F256L143-I162 HydrophobicContact CB-CG2 4.47Å; L143-I162 HydrophobicContact CD1-CG2 4.27Å; L143-I162 PolarHBondContact N-O 3.24Å; L143-P163 WeakPolarHBondContact CD1-O 3.16Å; L143-K252 HydrophobicContact CB-CG 4.45Å; L143-K252 HydrophobicContact CD2-CG 3.77Å; L143-K252 WeakPolarHBondContact O-CE 3.43Å; L143-K252 PolarHBondContact O-NZ 2.9Å; L143-T255 HydrophobicContact CD1-CG2 4.44Å; L143-T255 HydrophobicContact CD2-CG2 4.02Å; L143-F256 HydrophobicContact CD1-CB 3.75Å
144T98Very high92.3Very high27 Ų2762.5 Ų62.517%0.16631%0.314CS..EExtended strand (participates in β ladder)trans-150.7163.1-175.8-170.30000110.5Y161 I162 M241 L245T144-Y161 WeakPolarHBondContact O-CA 3.47Å; T144-I162 HydrophobicContact CG2-CB 3.98Å; T144-I162 HydrophobicContact CG2-CG1 3.7Å; T144-I162 PolarHBondContact O-N 3.43Å; T144-M241 HydrophobicContact CG2-CE 4.39Å; T144-M241 HydrophobicContact CG2-CG 3.79Å; T144-M241 HydrophobicContact CG2-SD 3.84Å; T144-L245 HydrophobicContact CG2-CD2 4.04Å
145W98Very high92.8Very high53 Ų5362.5 Ų62.520%0.20132%0.315CS..EExtended strand (participates in β ladder)trans-142.1157.5176.661.994.7000112.2D125 Y128 K129 P142 L160 Y161D125-W145 HydrophobicContact CB-CH2 3.92Å; D125-W145 HydrophobicContact CB-CZ2 4Å; D125-W145 WeakPolarHBondContact OD1-CZ2 3Å; Y128-W145 AromaticContact CD1-CD1 3.77Å; Y128-W145 AromaticContact CD1-NE1 3.76Å; Y128-W145 AromaticContact CD2-CE2 3.79Å; Y128-W145 HydrophobicContact CD2-CZ2 4Å; Y128-W145 AromaticContact CD2-NE1 3.26Å; Y128-W145 VanDerWaalsContact CD2-NE1 3.26Å; Y128-W145 AromaticContact CE2-NE1 3.65Å; Y128-W145 AromaticContact CG-CD1 3.8Å; Y128-W145 HydrophobicContact CG-CD2 4.46Å; Y128-W145 AromaticContact CG-CE2 3.8Å; Y128-W145 HydrophobicContact CG-CG 4.48Å; Y128-W145 HydrophobicContact CG-CZ2 4.28Å; Y128-W145 AromaticContact CG-NE1 3.33Å; Y128-W145 VanDerWaalsContact CG-NE1 3.33Å; K129-W145 HydrophobicContact CG-CZ3 4.4Å; P142-W145 HydrophobicContact CG-CE3 4.06Å; P142-W145 HydrophobicContact CG-CZ3 4.42Å; W145-L160 CarbonylContact C-O 3.47Å; W145-L160 WeakPolarHBondContact CA-O 3.49Å; W145-L160 VanDerWaalsContact CB-O 3.29Å; W145-L160 WeakPolarHBondContact CB-O 3.24Å; W145-Y161 HydrophobicContact CB-CD1 3.37Å; W145-Y161 HydrophobicContact CB-CE1 3.47Å; W145-Y161 VanDerWaalsContact CB-CE1 3.47Å; W145-Y161 HydrophobicContact CB-CG 4.18Å; W145-Y161 HydrophobicContact CD2-CE1 4.39Å; W145-Y161 HydrophobicContact CG-CD1 4.23Å; W145-Y161 AromaticContact CG-CE1 3.91Å; W145-Y161 HydrophobicContact CG-CE1 3.91Å
146S97.3Very high93.3Very high19 Ų1962.7 Ų62.713%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-132.9109.8173.4-158.20000109.6N148 L159 L160 R237 M241S146-N148 PolarHBondContact OG-ND2 3.35Å; S146-L159 WeakPolarHBondContact O-CA 3.45Å; S146-L160 PolarHBondContact N-O 3.12Å; S146-L160 PolarHBondContact O-N 3.06Å; S146-R237 WeakPolarHBondContact OG-CD 3.25Å; S146-M241 VanDerWaalsContact CB-SD 3.6Å; S146-M241 PolarHBondContact N-SD 3.18Å
147H97.3Very high93.7Very high14 Ų1462.5 Ų62.57%0.06531%0.311CS..EExtended strand (participates in β ladder)trans-95.1122169.7-170.3-178.8000108W116 K120 Y128 S158 L159W116-H147 PolarHBondContact O-NE2 3.37Å; W116-H147 VanDerWaalsContact O-NE2 3.14Å; K120-H147 HydrophobicContact CD-CB 4.34Å; K120-H147 WeakPolarHBondContact CE-O 3.13Å; K120-H147 PolarHBondContact NZ-O 3.13Å; Y128-H147 HydrophobicContact CE1-CB 3.94Å; Y128-H147 AromaticContact CE1-ND1 3.6Å; Y128-H147 AromaticContact CZ-ND1 3.67Å; Y128-H147 PolarHBondContact OH-ND1 3.34Å; H147-S158 CarbonylContact C-O 3.55Å; H147-S158 WeakPolarHBondContact CA-O 3.43Å; H147-L159 HydrophobicContact CB-CD1 3.74Å
148N95.7Very high94.3Very high16 Ų1655.9 Ų55.99%0.08628%0.28CS..EExtended strand (participates in β ladder)trans-137.4137.9179.6-58.2-80.5000111.3S146 T157 S158 R237S146-N148 PolarHBondContact OG-ND2 3.35Å; N148-T157 CarbonylContact O-C 3.6Å; N148-T157 VanDerWaalsContact O-CA 3.29Å; N148-T157 WeakPolarHBondContact O-CA 3.37Å; N148-T157 WeakPolarHBondContact O-CG2 3.41Å; N148-S158 PolarHBondContact N-O 3.19Å; N148-S158 PolarHBondContact O-N 2.93Å; N148-R237 VanDerWaalsContact ND2-CD 3.28Å; N148-R237 WeakPolarHBondContact ND2-CD 3.39Å; N148-R237 WeakPolarHBondContact ND2-CG 3.44Å; N148-R237 PolarHBondContact ND2-NE 2.87Å; N148-R237 PolarHBondContact OD1-NE 3.19Å
149R95.5Very high94.8Very high156 Ų15654.5 Ų54.559%0.58927%0.273SS*.EExtended strand (participates in β ladder)trans-112.1123.5167.3-179172169.2157.3-1.8107.3E151R149-E151 IonicContact CZ-OE1 3.93Å; R149-E151 VanDerWaalsContact CZ-OE1 3.31Å; R149-E151 IonicContact NE-OE1 3.56Å; R149-E151 PolarHBondContact NE-OE1 3.15Å; R149-E151 IonicContact NH2-OE1 2.92Å; R149-E151 PolarHBondContact NH2-OE1 3.14Å
150V95.8Very high95.4Very high41 Ų4148.8 Ų48.825%0.24825%0.248CC..EExtended strand (participates in β ladder)trans-116.8127.7-176.8179.80000107.9E155 Y156V150-E155 WeakPolarHBondContact O-CA 3.42Å; V150-Y156 HydrophobicContact CB-CD1 4.05Å; V150-Y156 HydrophobicContact CB-CE1 3.68Å; V150-Y156 HydrophobicContact CB-CE2 4.35Å; V150-Y156 HydrophobicContact CG1-CD1 4.37Å; V150-Y156 HydrophobicContact CG1-CE1 3.76Å; V150-Y156 HydrophobicContact CG2-CE1 4.06Å; V150-Y156 HydrophobicContact CG2-CE2 4.04Å; V150-Y156 PolarHBondContact N-O 2.94Å; V150-Y156 PolarHBondContact O-N 2.68Å; V150-Y156 VanDerWaalsContact O-N 3.1Å
151E91.5Very high95.7Very high129 Ų12945.4 Ų45.460%0.60323%0.23SC*.  trans-125145.4177.1-62.3179.9176.200108.2R149R149-E151 IonicContact CZ-OE1 3.93Å; R149-E151 VanDerWaalsContact CZ-OE1 3.31Å; R149-E151 IonicContact NE-OE1 3.56Å; R149-E151 PolarHBondContact NE-OE1 3.15Å; R149-E151 IonicContact NH2-OE1 2.92Å; R149-E151 PolarHBondContact NH2-OE1 3.14Å
152G90.3Very high95.7Very high69 Ų6942.5 Ų42.571%0.71121%0.214SC*.SBendtrans134.2-125179.600000112.8Q154G152-Q154 PolarHBondContact O-N 2.8Å
153K88.6Confident95.7Very high189 Ų18942.3 Ų42.382%0.82221%0.213SC*.SBendtrans-63.8-27.5-179.9-172.9179.8178.4-176.60112.9
154Q90.6Very high95.7Very high30 Ų3043.1 Ų43.114%0.1422%0.22CC..SBendtrans-131.3143.7169-57.5-67.4-13.500106.9G152 Y156 D211 N229 L230G152-Q154 PolarHBondContact O-N 2.8Å; Q154-Y156 HydrophobicContact CB-CD1 4Å; Q154-Y156 HydrophobicContact CB-CE1 4.09Å; Q154-D211 WeakPolarHBondContact CA-OD2 3.44Å; Q154-D211 PolarHBondContact OE1-OD2 3.31Å; Q154-N229 PolarHBondContact NE2-ND2 2.7Å; Q154-L230 HydrophobicContact CB-CD2 4.29Å
155E94.8Very high95.5Very high92 Ų9247.1 Ų47.143%0.4324%0.237SC..  trans-117.1112.8174.9-171.2-171.4139.300109.7V150 S210 D211V150-E155 WeakPolarHBondContact O-CA 3.42Å; E155-S210 PolarHBondContact O-N 3.23Å; E155-S210 PolarHBondContact OE1-OG 2.82Å; E155-D211 PolarHBondContact N-OD2 3.33Å
156Y96.4Very high95.3Very high18 Ų1845.5 Ų45.57%0.07123%0.234CC..EExtended strand (participates in β ladder)trans-159.8159.4177.566.7-82.6000111.9V150 Q154 I207 D208 L230 A233 L234V150-Y156 HydrophobicContact CB-CD1 4.05Å; V150-Y156 HydrophobicContact CB-CE1 3.68Å; V150-Y156 HydrophobicContact CB-CE2 4.35Å; V150-Y156 HydrophobicContact CG1-CD1 4.37Å; V150-Y156 HydrophobicContact CG1-CE1 3.76Å; V150-Y156 HydrophobicContact CG2-CE1 4.06Å; V150-Y156 HydrophobicContact CG2-CE2 4.04Å; V150-Y156 PolarHBondContact N-O 2.94Å; V150-Y156 PolarHBondContact O-N 2.68Å; V150-Y156 VanDerWaalsContact O-N 3.1Å; Q154-Y156 HydrophobicContact CB-CD1 4Å; Q154-Y156 HydrophobicContact CB-CE1 4.09Å; Y156-I207 HydrophobicContact CD2-CD1 3.92Å; Y156-I207 HydrophobicContact CD2-CG1 4.09Å; Y156-I207 HydrophobicContact CG-CD1 4.24Å; Y156-D208 CarbonylContact C-O 3.58Å; Y156-D208 WeakPolarHBondContact CA-O 3.19Å; Y156-D208 VanDerWaalsContact CB-O 3.32Å; Y156-D208 WeakPolarHBondContact CB-O 3.49Å; Y156-L230 HydrophobicContact CD1-CD2 3.27Å; Y156-L230 HydrophobicContact CD2-CD2 4.33Å; Y156-L230 HydrophobicContact CE1-CD2 3.49Å; Y156-L230 VanDerWaalsContact CE1-CD2 3.49Å; Y156-L230 HydrophobicContact CG-CD2 3.73Å; Y156-A233 VanDerWaalsContact OH-CB 3.28Å; Y156-A233 WeakPolarHBondContact OH-CB 3.38Å; Y156-L234 HydrophobicContact CE2-CD2 4.14Å
157T97Very high94.8Very high20 Ų2046.3 Ų46.312%0.12324%0.239CC..EExtended strand (participates in β ladder)trans-111.4134.7165.7-57.40000109.1W116 N148 I207 D208W116-T157 HydrophobicContact CB-CG2 4.03Å; W116-T157 WeakPolarHBondContact O-CG2 3.11Å; N148-T157 CarbonylContact O-C 3.6Å; N148-T157 VanDerWaalsContact O-CA 3.29Å; N148-T157 WeakPolarHBondContact O-CA 3.37Å; N148-T157 WeakPolarHBondContact O-CG2 3.41Å; T157-I207 CarbonylContact O-C 3.58Å; T157-I207 WeakPolarHBondContact O-CA 3.3Å; T157-D208 PolarHBondContact N-O 3.3Å; T157-D208 PolarHBondContact O-N 3.19Å
158S97.4Very high94.1Very high1 Ų153.9 Ų53.91%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-121.5139.5171.665.50000110.9H147 N148H147-S158 CarbonylContact C-O 3.55Å; H147-S158 WeakPolarHBondContact CA-O 3.43Å; N148-S158 PolarHBondContact N-O 3.19Å; N148-S158 PolarHBondContact O-N 2.93Å
159L97.5Very high93.6Very high0 Ų054.7 Ų54.70%027%0.271CS..EExtended strand (participates in β ladder)trans-132.2100.9172.4176.357.5000107.4L115 W116 Y128 F131 S146 H147 Y161 G205 L206L115-L159 HydrophobicContact CD2-CD2 3.58Å; W116-L159 HydrophobicContact CB-CB 4.42Å; W116-L159 HydrophobicContact CB-CD2 4.33Å; Y128-L159 HydrophobicContact CD1-CD1 3.88Å; Y128-L159 HydrophobicContact CD1-CD2 4.46Å; Y128-L159 HydrophobicContact CE1-CD1 3.77Å; Y128-L159 HydrophobicContact CE1-CD2 4.49Å; F131-L159 HydrophobicContact CD1-CD2 3.77Å; F131-L159 HydrophobicContact CE1-CD2 3.68Å; S146-L159 WeakPolarHBondContact O-CA 3.45Å; H147-L159 HydrophobicContact CB-CD1 3.74Å; L159-Y161 HydrophobicContact CD1-CE2 4.04Å; L159-Y161 HydrophobicContact CD2-CE2 4.05Å; L159-Y161 WeakPolarHBondContact CD2-OH 3.21Å; L159-Y161 HydrophobicContact CG-CE2 3.59Å; L159-G205 CarbonylContact O-C 3.59Å; L159-G205 WeakPolarHBondContact O-CA 3.5Å; L159-L206 HydrophobicContact CB-CD1 4.28Å; L159-L206 HydrophobicContact CB-CG 4.18Å; L159-L206 PolarHBondContact N-O 3.19Å; L159-L206 PolarHBondContact O-N 3.2Å
160L98.3Very high93.1Very high0 Ų047.4 Ų47.40%024%0.244CC..EExtended strand (participates in β ladder)trans-110.2142-171.6-53177.9000109.7W145 S146 L179 M196 V203 R204 L234 R237 V238W145-L160 CarbonylContact C-O 3.47Å; W145-L160 WeakPolarHBondContact CA-O 3.49Å; W145-L160 VanDerWaalsContact CB-O 3.29Å; W145-L160 WeakPolarHBondContact CB-O 3.24Å; S146-L160 PolarHBondContact N-O 3.12Å; S146-L160 PolarHBondContact O-N 3.06Å; L160-L179 HydrophobicContact CD2-CD1 3.69Å; L160-L179 HydrophobicContact CD2-CD2 3.9Å; L160-L179 HydrophobicContact CD2-CG 4.48Å; L160-M196 HydrophobicContact CD1-CE 3.94Å; L160-M196 HydrophobicContact CD2-CE 3.85Å; L160-V203 HydrophobicContact CB-CG1 4.21Å; L160-V203 HydrophobicContact CD2-CG1 4.33Å; L160-R204 CarbonylContact C-O 3.58Å; L160-L234 HydrophobicContact CD1-CD2 4.03Å; L160-L234 HydrophobicContact CD2-CD2 4.31Å; L160-R237 HydrophobicContact CD1-CB 4.45Å; L160-R237 HydrophobicContact CD1-CG 4.18Å; L160-V238 HydrophobicContact CD1-CG2 3.69Å
161Y98.3Very high92.6Very high0 Ų052 Ų520%026%0.257CS..EExtended strand (participates in β ladder)trans-129.3145.1-179.3-65.1-85.6000110.6Y128 F131 Y132 I135 P142 T144 W145 L159 R204Y128-Y161 PolarHBondContact O-OH 2.96Å; Y128-Y161 VanDerWaalsContact O-OH 3.1Å; F131-Y161 HydrophobicContact CD1-CE2 4.22Å; Y132-Y161 VanDerWaalsContact CD2-CB 3.49Å; Y132-Y161 AromaticContact CD2-CD1 3.83Å; Y132-Y161 HydrophobicContact CD2-CD1 3.83Å; Y132-Y161 AromaticContact CD2-CD2 3.95Å; Y132-Y161 HydrophobicContact CD2-CD2 3.95Å; Y132-Y161 AromaticContact CD2-CG 3.49Å; Y132-Y161 HydrophobicContact CD2-CG 3.49Å; Y132-Y161 VanDerWaalsContact CD2-CG 3.49Å; Y132-Y161 HydrophobicContact CE2-CG 4.34Å; Y132-Y161 HydrophobicContact CG-CD1 4.06Å; Y132-Y161 HydrophobicContact CG-CE1 4.49Å; Y132-Y161 HydrophobicContact CG-CG 4.17Å; I135-Y161 HydrophobicContact CD1-CD2 4.18Å; I135-Y161 HydrophobicContact CD1-CE2 4Å; P142-Y161 HydrophobicContact CB-CD1 3.94Å; P142-Y161 HydrophobicContact CG-CD1 3.79Å; P142-Y161 HydrophobicContact CG-CE1 4.27Å; T144-Y161 WeakPolarHBondContact O-CA 3.47Å; W145-Y161 HydrophobicContact CB-CD1 3.37Å; W145-Y161 HydrophobicContact CB-CE1 3.47Å; W145-Y161 VanDerWaalsContact CB-CE1 3.47Å; W145-Y161 HydrophobicContact CB-CG 4.18Å; W145-Y161 HydrophobicContact CD2-CE1 4.39Å; W145-Y161 HydrophobicContact CG-CD1 4.23Å; W145-Y161 AromaticContact CG-CE1 3.91Å; W145-Y161 HydrophobicContact CG-CE1 3.91Å; L159-Y161 HydrophobicContact CD1-CE2 4.04Å; L159-Y161 HydrophobicContact CD2-CE2 4.05Å; L159-Y161 WeakPolarHBondContact CD2-OH 3.21Å; L159-Y161 HydrophobicContact CG-CE2 3.59Å; Y161-R204 PolarHBondContact N-O 3.01Å; Y161-R204 PolarHBondContact O-N 2.94Å
162I97.9Very high92.3Very high0 Ų049.8 Ų49.80%025%0.25CC..EExtended strand (participates in β ladder)trans-105.8116.7165.6-54.4-52.8000107.8P142 L143 T144 F202 V203 V238 M241 L242 F256 F260P142-I162 CarbonylContact C-O 3.6Å; P142-I162 WeakPolarHBondContact CA-O 3.45Å; P142-I162 WeakPolarHBondContact CB-O 3.36Å; L143-I162 HydrophobicContact CB-CG2 4.47Å; L143-I162 HydrophobicContact CD1-CG2 4.27Å; L143-I162 PolarHBondContact N-O 3.24Å; T144-I162 HydrophobicContact CG2-CB 3.98Å; T144-I162 HydrophobicContact CG2-CG1 3.7Å; T144-I162 PolarHBondContact O-N 3.43Å; I162-F202 HydrophobicContact CD1-CD2 4.25Å; I162-F202 HydrophobicContact CD1-CE2 3.93Å; I162-V203 HydrophobicContact CD1-CG2 3.91Å; I162-V238 HydrophobicContact CD1-CG1 4.34Å; I162-M241 HydrophobicContact CD1-CE 3.46Å; I162-M241 VanDerWaalsContact CD1-CE 3.46Å; I162-M241 HydrophobicContact CG1-CE 3.38Å; I162-M241 HydrophobicContact CG1-SD 4.4Å; I162-L242 HydrophobicContact CD1-CD2 4.37Å; I162-L242 HydrophobicContact CG1-CD2 4.1Å; I162-F256 HydrophobicContact CG2-CD2 3.69Å; I162-F256 HydrophobicContact CG2-CE2 4.19Å; I162-F260 HydrophobicContact CG2-CD2 4.48Å; I162-F260 HydrophobicContact CG2-CE2 4.19Å
163P96.9Very high91.6Very high3 Ų358.1 Ų58.12%0.01926%0.259CS..  trans-58.8154.8174.6-23.134.1000112.1Y132 L143 Q165 F202 R204 F260Y132-P163 HydrophobicContact CE2-CG 4.47Å; Y132-P163 WeakPolarHBondContact OH-CA 3.42Å; Y132-P163 WeakPolarHBondContact OH-CB 3.32Å; Y132-P163 WeakPolarHBondContact OH-CG 3.32Å; L143-P163 WeakPolarHBondContact CD1-O 3.16Å; P163-Q165 WeakPolarHBondContact CB-O 3.47Å; P163-F202 VanDerWaalsContact CD-O 3.25Å; P163-F202 WeakPolarHBondContact CD-O 3.22Å; P163-F202 WeakPolarHBondContact CG-O 3.25Å; P163-R204 HydrophobicContact CG-CG 4Å; P163-F260 HydrophobicContact CB-CZ 4.01Å; P163-F260 HydrophobicContact CG-CZ 4.44Å; P163-F260 VanDerWaalsContact O-CE2 3.23Å; P163-F260 WeakPolarHBondContact O-CE2 3.42Å
164S96.4Very high91.1Very high29 Ų2956.1 Ų56.120%0.20326%0.258CS..SBendtrans-84-15.6172.453.20000114.7N140 D141N140-S164 WeakPolarHBondContact CB-OG 3.24Å; D141-S164 VanDerWaalsContact O-CB 3.24Å; D141-S164 WeakPolarHBondContact O-CB 3.02Å; D141-S164 PolarHBondContact O-OG 2.92Å
165Q94.5Very high90.6Very high111 Ų11155.6 Ų55.652%0.51926%0.255SS..SBendtrans-136.3143.1174.5-168.5175.23.800109.7P163P163-Q165 WeakPolarHBondContact CB-O 3.47Å
166A92.8Very high90Very high18 Ų1858.6 Ų58.615%0.14927%0.267CS..  trans-65.8131.3170.900000110.3M170 Q259 F260A166-M170 HydrophobicContact CB-CE 3.79Å; A166-M170 HydrophobicContact CB-SD 4.36Å; A166-Q259 HydrophobicContact CB-CB 4.34Å; A166-F260 HydrophobicContact CB-CD1 4.33Å; A166-F260 HydrophobicContact CB-CE1 3.85Å; A166-F260 HydrophobicContact CB-CZ 4.45Å
167P87.6Confident89.6Confident36 Ų3659.1 Ų59.123%0.23427%0.27CS..  trans-58.2140.7168.822.1-34.5000110.9D169 M170P167-D169 PolarHBondContact O-N 2.86Å; P167-D169 VanDerWaalsContact O-N 3.12Å; P167-M170 HydrophobicContact CG-CB 4.23Å; P167-M170 HydrophobicContact CG-CE 3.88Å; P167-M170 VanDerWaalsContact O-CB 3.32Å; P167-M170 WeakPolarHBondContact O-CB 3.31Å; P167-M170 PolarHBondContact O-N 3.46Å
168W83.3Confident89.4Confident173 Ų17358.5 Ų58.566%0.65527%0.267SS*.THydrogen-bonded Turntrans-59.8-26.6-174.968.3-90.6000113.4
169D84.3Confident89.4Confident33 Ų3358.4 Ų58.418%0.17627%0.267CS..THydrogen-bonded Turntrans-95.45.6-178.565.5-31.2000113.5P167 W171 N172 H175P167-D169 PolarHBondContact O-N 2.86Å; P167-D169 VanDerWaalsContact O-N 3.12Å; D169-W171 PolarHBondContact O-N 3.39Å; D169-N172 HydrophobicContact CB-CB 4.48Å; D169-N172 WeakPolarHBondContact CB-ND2 3.12Å; D169-N172 VanDerWaalsContact O-CB 3.27Å; D169-N172 WeakPolarHBondContact O-CB 3.27Å; D169-N172 PolarHBondContact O-N 2.88Å; D169-H175 VanDerWaalsContact O-CB 3.31Å; D169-H175 WeakPolarHBondContact O-CB 3.42Å; D169-H175 IonicContact OD1-CE1 2.81Å; D169-H175 PolarHBondContact OD1-CE1 2.89Å; D169-H175 VanDerWaalsContact OD1-CE1 3.24Å; D169-H175 IonicContact OD1-ND1 3.93Å; D169-H175 PolarHBondContact OD1-ND1 3.48Å; D169-H175 IonicContact OD2-CE1 3.87Å; D169-H175 PolarHBondContact OD2-CE1 2.88Å; D169-H175 IonicContact OD2-CG 3.44Å; D169-H175 IonicContact OD2-ND1 2.66Å; D169-H175 PolarHBondContact OD2-ND1 3.03Å
170M85.5Confident89.2Confident4 Ų460.2 Ų60.22%0.0228%0.275CS..THydrogen-bonded Turntrans-51.7-33-179.7179.8174.7-61.600114.1A166 P167 F202 F260 V263A166-M170 HydrophobicContact CB-CE 3.79Å; A166-M170 HydrophobicContact CB-SD 4.36Å; P167-M170 HydrophobicContact CG-CB 4.23Å; P167-M170 HydrophobicContact CG-CE 3.88Å; P167-M170 VanDerWaalsContact O-CB 3.32Å; P167-M170 WeakPolarHBondContact O-CB 3.31Å; P167-M170 PolarHBondContact O-N 3.46Å; M170-F202 HydrophobicContact CE-CB 3.68Å; M170-F260 HydrophobicContact CE-CD1 3.65Å; M170-F260 HydrophobicContact CE-CE1 3.53Å; M170-F260 HydrophobicContact SD-CD1 4.23Å; M170-V263 HydrophobicContact CG-CG2 4.49Å; M170-V263 HydrophobicContact SD-CG2 3.59Å; M170-V263 VanDerWaalsContact SD-CG2 3.59Å
171W84.1Confident89Confident138 Ų13860.2 Ų60.252%0.52328%0.275SS..THydrogen-bonded Turntrans-88.5-5.7-177.2-53.3106.7000113.1D169 L262 V263D169-W171 PolarHBondContact O-N 3.39Å; W171-L262 HydrophobicContact CH2-CB 3.62Å; W171-L262 HydrophobicContact CH2-CD1 4.25Å; W171-L262 HydrophobicContact CZ2-CB 4.26Å; W171-L262 HydrophobicContact CZ2-CD1 4.29Å; W171-V263 HydrophobicContact CH2-CG2 3.33Å; W171-V263 HydrophobicContact CZ2-CG2 4.04Å; W171-V263 HydrophobicContact CZ3-CG2 3.72Å
172N85Confident88.8Confident82 Ų8261.6 Ų61.644%0.43928%0.28SS..SBendtrans-76.2134.5176.4-66-19000109.5D169 D174 H175D169-N172 HydrophobicContact CB-CB 4.48Å; D169-N172 WeakPolarHBondContact CB-ND2 3.12Å; D169-N172 VanDerWaalsContact O-CB 3.27Å; D169-N172 WeakPolarHBondContact O-CB 3.27Å; D169-N172 PolarHBondContact O-N 2.88Å; N172-D174 PolarHBondContact O-N 3.19Å; N172-H175 HydrophobicContact CB-CB 4.48Å; N172-H175 WeakPolarHBondContact O-CB 3.41Å; N172-H175 PolarHBondContact O-N 2.91Å
173R76.4Confident88.4Confident243 Ų24361.6 Ų61.692%0.91728%0.28SS*.THydrogen-bonded Turntrans-59.1-33.4178.5-178.5177.5168.1-178.1-3.2113.2H175R173-H175 VanDerWaalsContact C-N 3.27Å; R173-H175 PolarHBondContact O-N 2.78Å
174D78.3Confident88Confident148 Ų14867 Ų6779%0.79131%0.305SS*.THydrogen-bonded Turntrans-89.712-180-55.7-43.4000112.6N172 K176N172-D174 PolarHBondContact O-N 3.19Å; D174-K176 PolarHBondContact O-N 3.15Å
175H80.5Confident87.5Confident18 Ų1873.8 Ų73.88%0.08333%0.326CS..  trans-61.9119.2180-179.259.6000111.2D169 N172 R173 H177 R204D169-H175 VanDerWaalsContact O-CB 3.31Å; D169-H175 WeakPolarHBondContact O-CB 3.42Å; D169-H175 IonicContact OD1-CE1 2.81Å; D169-H175 PolarHBondContact OD1-CE1 2.89Å; D169-H175 VanDerWaalsContact OD1-CE1 3.24Å; D169-H175 IonicContact OD1-ND1 3.93Å; D169-H175 PolarHBondContact OD1-ND1 3.48Å; D169-H175 IonicContact OD2-CE1 3.87Å; D169-H175 PolarHBondContact OD2-CE1 2.88Å; D169-H175 IonicContact OD2-CG 3.44Å; D169-H175 IonicContact OD2-ND1 2.66Å; D169-H175 PolarHBondContact OD2-ND1 3.03Å; N172-H175 HydrophobicContact CB-CB 4.48Å; N172-H175 WeakPolarHBondContact O-CB 3.41Å; N172-H175 PolarHBondContact O-N 2.91Å; R173-H175 VanDerWaalsContact C-N 3.27Å; R173-H175 PolarHBondContact O-N 2.78Å; H175-H177 PolarHBondContact O-N 2.69Å; H175-H177 PolarHBondContact O-ND1 3.43Å; H175-H177 VanDerWaalsContact O-ND1 3.13Å; H175-R204 PolarHBondContact CE1-NH2 3Å; H175-R204 PolarHBondContact NE2-NH2 3.43Å
176K81.2Confident86.9Confident155 Ų15572.2 Ų72.267%0.67432%0.324SS*.  trans-71.9123.3173.4-66.6-173.5-180-177.20109.6D174D174-K176 PolarHBondContact O-N 3.15Å
177H89.6Confident86.6Confident29 Ų2975.8 Ų75.813%0.13434%0.337CS..  trans-145.7164.8179.768.1-79.3000110.3H175 D191 E193 R201H175-H177 PolarHBondContact O-N 2.69Å; H175-H177 PolarHBondContact O-ND1 3.43Å; H175-H177 VanDerWaalsContact O-ND1 3.13Å; H177-D191 CarbonylContact O-C 3.42Å; H177-D191 WeakPolarHBondContact O-CA 3.42Å; H177-D191 WeakPolarHBondContact O-CB 3.35Å; H177-E193 IonicContact CE1-OE2 2.86Å; H177-R201 HydrophobicContact CB-CB 4.23Å; H177-R201 VanDerWaalsContact CD2-CB 3.49Å; H177-R201 WeakPolarHBondContact CD2-CB 3.45Å
178G92.5Very high86.6Confident7 Ų775.9 Ų75.97%0.07234%0.335CS..SBendtrans125.6-176.7-178.500000111.8
179L95.9Very high86.8Confident0 Ų068.7 Ų68.70%031%0.309CS..EExtended strand (participates in β ladder)trans-95.4152.5-179.3-56.7-175.9000110.7L160 L181 A192 F195 M196 V203 I207 L234L160-L179 HydrophobicContact CD2-CD1 3.69Å; L160-L179 HydrophobicContact CD2-CD2 3.9Å; L160-L179 HydrophobicContact CD2-CG 4.48Å; L179-L181 PolarHBondContact O-N 3.48Å; L179-A192 PolarHBondContact N-O 3.08Å; L179-A192 VanDerWaalsContact O-CB 3.25Å; L179-A192 WeakPolarHBondContact O-CB 3.45Å; L179-A192 PolarHBondContact O-N 3.19Å; L179-F195 HydrophobicContact CD1-CB 4.1Å; L179-M196 HydrophobicContact CD1-CE 3.9Å; L179-M196 HydrophobicContact CD2-CE 4.36Å; L179-M196 HydrophobicContact CG-CE 4.45Å; L179-M196 HydrophobicContact CG-CG 4.38Å; L179-V203 HydrophobicContact CD2-CG1 4.19Å; L179-I207 HydrophobicContact CB-CG2 4.49Å; L179-I207 HydrophobicContact CD1-CB 4.4Å; L179-I207 HydrophobicContact CD1-CG2 4.31Å; L179-L234 HydrophobicContact CD1-CD1 3.79Å
180K94.4Very high87.1Confident38 Ų3869.9 Ų69.917%0.16532%0.315CS..EExtended strand (participates in β ladder)trans-69.1127.9162-60.1-171178.3-91.40108.7I135 Y182 D190 G205 L206 I207I135-K180 HydrophobicContact CB-CD 4.26Å; I135-K180 HydrophobicContact CG2-CD 4.45Å; I135-K180 WeakPolarHBondContact O-CE 3.34Å; K180-Y182 HydrophobicContact CB-CD2 4.49Å; K180-Y182 HydrophobicContact CB-CE2 3.92Å; K180-D190 WeakPolarHBondContact CE-OD1 3.47Å; K180-D190 WeakPolarHBondContact CG-OD1 3.37Å; K180-D190 IonicContact NZ-OD1 2.96Å; K180-D190 PolarHBondContact NZ-OD1 3.02Å; K180-D190 IonicContact NZ-OD2 2.76Å; K180-G205 PolarHBondContact N-O 3.49Å; K180-L206 HydrophobicContact CB-CB 4.05Å; K180-L206 WeakPolarHBondContact O-CA 3.32Å; K180-L206 WeakPolarHBondContact O-CB 3.16Å; K180-I207 PolarHBondContact O-N 3.28Å
181L94.1Very high87.3Confident0 Ų072 Ų720%033%0.327CS..EExtended strand (participates in β ladder)trans-98125.4178.3176.162.7000110.2L179 V183 I188 M189 A192 F195 I207 L212 V216 L221L179-L181 PolarHBondContact O-N 3.48Å; L181-V183 HydrophobicContact CD1-CG2 4.39Å; L181-V183 HydrophobicContact CG-CG2 4.46Å; L181-I188 HydrophobicContact CD2-CB 4.22Å; L181-I188 HydrophobicContact CD2-CG2 4.24Å; L181-I188 HydrophobicContact CG-CB 4.15Å; L181-I188 HydrophobicContact CG-CG1 4.4Å; L181-I188 PolarHBondContact O-N 3.19Å; L181-M189 HydrophobicContact CB-CG 4Å; L181-M189 HydrophobicContact CD2-CE 4.24Å; L181-M189 HydrophobicContact CD2-CG 4.32Å; L181-M189 PolarHBondContact N-O 3.43Å; L181-M189 PolarHBondContact O-N 3.23Å; L181-A192 HydrophobicContact CB-CB 4.22Å; L181-F195 HydrophobicContact CB-CE2 4.44Å; L181-F195 HydrophobicContact CD1-CE2 3.86Å; L181-F195 HydrophobicContact CD1-CZ 3.91Å; L181-F195 HydrophobicContact CD2-CE2 4.11Å; L181-F195 HydrophobicContact CD2-CZ 4.38Å; L181-F195 HydrophobicContact CG-CE2 4.36Å; L181-I207 HydrophobicContact CD1-CG2 3.84Å; L181-L212 HydrophobicContact CD1-CD1 4.01Å; L181-V216 HydrophobicContact CD2-CG1 3.93Å; L181-L221 HydrophobicContact CD2-CD1 3.95Å; L181-L221 HydrophobicContact CD2-CD2 4.18Å
182Y92.9Very high87.7Confident28 Ų2865.5 Ų65.511%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-114.9146.3166.4-67.4-102000109.3W116 K180 V186 F187 L206 I207 D208 S209W116-Y182 AromaticContact CH2-CD1 3.9Å; W116-Y182 HydrophobicContact CH2-CD1 3.9Å; W116-Y182 HydrophobicContact CH2-CD2 4.28Å; W116-Y182 AromaticContact CH2-CE1 3.51Å; W116-Y182 HydrophobicContact CH2-CE1 3.51Å; W116-Y182 AromaticContact CH2-CE2 3.94Å; W116-Y182 HydrophobicContact CH2-CE2 3.94Å; W116-Y182 HydrophobicContact CH2-CG 4.28Å; W116-Y182 AromaticContact CH2-CZ 3.55Å; W116-Y182 AromaticContact CZ2-CD1 3.59Å; W116-Y182 HydrophobicContact CZ2-CD1 3.59Å; W116-Y182 HydrophobicContact CZ2-CD2 4.11Å; W116-Y182 AromaticContact CZ2-CE1 3.73Å; W116-Y182 HydrophobicContact CZ2-CE1 3.73Å; W116-Y182 HydrophobicContact CZ2-CE2 4.24Å; W116-Y182 AromaticContact CZ2-CG 3.8Å; W116-Y182 HydrophobicContact CZ2-CG 3.8Å; K180-Y182 HydrophobicContact CB-CD2 4.49Å; K180-Y182 HydrophobicContact CB-CE2 3.92Å; Y182-V186 CarbonylContact C-O 3.59Å; Y182-V186 VanDerWaalsContact CA-O 3.22Å; Y182-V186 WeakPolarHBondContact CA-O 3.32Å; Y182-F187 HydrophobicContact CD1-CB 4.01Å; Y182-F187 HydrophobicContact CE1-CB 3.59Å; Y182-F187 HydrophobicContact CE1-CD2 4.18Å; Y182-F187 HydrophobicContact CE1-CG 4.39Å; Y182-F187 HydrophobicContact CE2-CD2 4.2Å; Y182-F187 AromaticContact CZ-CD2 3.85Å; Y182-L206 HydrophobicContact CD2-CB 4.2Å; Y182-L206 HydrophobicContact CE2-CB 4.25Å; Y182-L206 HydrophobicContact CE2-CD2 4.29Å; Y182-I207 PolarHBondContact N-O 3.13Å; Y182-D208 CarbonylContact O-C 3.53Å; Y182-D208 VanDerWaalsContact O-CA 3.3Å; Y182-D208 WeakPolarHBondContact O-CA 3.32Å; Y182-S209 PolarHBondContact O-N 3Å
183V90.8Very high88.1Confident0 Ų065.5 Ų65.50%030%0.299CS..EExtended strand (participates in β ladder)trans-127.9119.9171.1170.90000107.6L181 R185 V186 I188 S209 L212 L214 V216L181-V183 HydrophobicContact CD1-CG2 4.39Å; L181-V183 HydrophobicContact CG-CG2 4.46Å; V183-R185 PolarHBondContact O-N 3.43Å; V183-V186 PolarHBondContact N-O 2.88Å; V183-V186 WeakPolarHBondContact O-CB 3.38Å; V183-V186 PolarHBondContact O-N 2.63Å; V183-I188 HydrophobicContact CB-CD1 4.09Å; V183-I188 HydrophobicContact CB-CG1 3.87Å; V183-I188 HydrophobicContact CG2-CD1 4.37Å; V183-I188 HydrophobicContact CG2-CG1 3.72Å; V183-S209 WeakPolarHBondContact CA-O 3.38Å; V183-L212 WeakPolarHBondContact CG1-O 2.74Å; V183-L212 HydrophobicContact CG2-CB 3.8Å; V183-L214 HydrophobicContact CB-CD2 4.06Å; V183-L214 HydrophobicContact CG1-CD2 3.77Å; V183-L214 HydrophobicContact CG1-CG 4.14Å; V183-L214 WeakPolarHBondContact O-CD2 3.38Å; V183-V216 HydrophobicContact CG2-CG1 4.14Å
184Q87.1Confident89Confident116 Ų11655 Ų5554%0.54226%0.261SS..THydrogen-bonded Turntrans48.743.7-175-58.5179.6-13.700111.9V186 D208 S209Q184-V186 PolarHBondContact O-N 2.9Å; Q184-D208 PolarHBondContact N-OD1 3.42Å; Q184-S209 PolarHBondContact N-O 3.36Å
185R86Confident89.8Confident173 Ų17348 Ų4865%0.65322%0.223SC*.THydrogen-bonded Turntrans68.62.2-177.6-47166.2-175.4174.60.6115.7T117 V183 D208T117-R185 HydrophobicContact CG2-CG 4.12Å; V183-R185 PolarHBondContact O-N 3.43Å; R185-D208 WeakPolarHBondContact CA-OD2 3.25Å; R185-D208 WeakPolarHBondContact CG-OD2 3.29Å; R185-D208 PolarHBondContact N-OD1 3.34Å; R185-D208 PolarHBondContact N-OD2 3.37Å
186V83.5Confident90.6Very high77 Ų7747.7 Ų47.747%0.46722%0.222SC..EExtended strand (participates in β ladder)trans-88.8125.6173.5-177.40000108.7Y182 V183 Q184 I188 L214Y182-V186 CarbonylContact C-O 3.59Å; Y182-V186 VanDerWaalsContact CA-O 3.22Å; Y182-V186 WeakPolarHBondContact CA-O 3.32Å; V183-V186 PolarHBondContact N-O 2.88Å; V183-V186 WeakPolarHBondContact O-CB 3.38Å; V183-V186 PolarHBondContact O-N 2.63Å; Q184-V186 PolarHBondContact O-N 2.9Å; V186-I188 HydrophobicContact CG1-CD1 4.34Å; V186-I188 PolarHBondContact O-N 3.03Å; V186-L214 HydrophobicContact CB-CD2 3.86Å; V186-L214 HydrophobicContact CG1-CD2 4.37Å; V186-L214 HydrophobicContact CG2-CD2 3.99Å
187F86.2Confident91.3Very high94 Ų9441.1 Ų41.141%0.41220%0.195SC..EExtended strand (participates in β ladder)trans-63130.5173.7172.4-101.9000110.2Y182Y182-F187 HydrophobicContact CD1-CB 4.01Å; Y182-F187 HydrophobicContact CE1-CB 3.59Å; Y182-F187 HydrophobicContact CE1-CD2 4.18Å; Y182-F187 HydrophobicContact CE1-CG 4.39Å; Y182-F187 HydrophobicContact CE2-CD2 4.2Å; Y182-F187 AromaticContact CZ-CD2 3.85Å
188I86.9Confident91.5Very high38 Ų3842.9 Ų42.920%0.19521%0.206CC..EExtended strand (participates in β ladder)trans-110.1-55.3179.5-54.8-54.8000111.3L181 V183 V186 L214 V216L181-I188 HydrophobicContact CD2-CB 4.22Å; L181-I188 HydrophobicContact CD2-CG2 4.24Å; L181-I188 HydrophobicContact CG-CB 4.15Å; L181-I188 HydrophobicContact CG-CG1 4.4Å; L181-I188 PolarHBondContact O-N 3.19Å; V183-I188 HydrophobicContact CB-CD1 4.09Å; V183-I188 HydrophobicContact CB-CG1 3.87Å; V183-I188 HydrophobicContact CG2-CD1 4.37Å; V183-I188 HydrophobicContact CG2-CG1 3.72Å; V186-I188 HydrophobicContact CG1-CD1 4.34Å; V186-I188 PolarHBondContact O-N 3.03Å; I188-L214 HydrophobicContact CD1-CD2 4.35Å; I188-V216 HydrophobicContact CG1-CG1 4.43Å; I188-V216 HydrophobicContact CG2-CG1 3.79Å; I188-V216 WeakPolarHBondContact CG2-O 2.94Å
189M88.6Confident91.7Very high22 Ų2242.6 Ų42.611%0.10820%0.202CC..EExtended strand (participates in β ladder)trans-159.5155.7-177.265.6-174.878.200112.6L181 A192 R218 L221L181-M189 HydrophobicContact CB-CG 4Å; L181-M189 HydrophobicContact CD2-CE 4.24Å; L181-M189 HydrophobicContact CD2-CG 4.32Å; L181-M189 PolarHBondContact N-O 3.43Å; L181-M189 PolarHBondContact O-N 3.23Å; M189-A192 HydrophobicContact CG-CB 4.33Å; M189-A192 HydrophobicContact SD-CB 4.43Å; M189-R218 HydrophobicContact CE-CG 4.34Å; M189-R218 HydrophobicContact SD-CG 3.66Å; M189-L221 HydrophobicContact CE-CD1 3.94Å; M189-L221 HydrophobicContact SD-CD1 3.74Å
190D89.6Confident91.8Very high58 Ų5842.6 Ų42.631%0.3120%0.202SC..EExtended strand (participates in β ladder)trans-85167.4166.2-71.4-50.5000111.6K180 A192 R218K180-D190 WeakPolarHBondContact CE-OD1 3.47Å; K180-D190 WeakPolarHBondContact CG-OD1 3.37Å; K180-D190 IonicContact NZ-OD1 2.96Å; K180-D190 PolarHBondContact NZ-OD1 3.02Å; K180-D190 IonicContact NZ-OD2 2.76Å; D190-A192 VanDerWaalsContact C-N 3.28Å; D190-A192 PolarHBondContact O-N 2.75Å; D190-A192 VanDerWaalsContact O-N 3.15Å; D190-R218 PolarHBondContact O-NH2 3.25Å
191D89.4Confident91.8Very high49 Ų4941.8 Ų41.826%0.26220%0.198SC..EExtended strand (participates in β ladder)trans51.143.8167.8-51.8-42.2000113.6H177 E193 R218H177-D191 CarbonylContact O-C 3.42Å; H177-D191 WeakPolarHBondContact O-CA 3.42Å; H177-D191 WeakPolarHBondContact O-CB 3.35Å; D191-E193 PolarHBondContact O-N 3.37Å; D191-R218 PolarHBondContact O-NH1 2.89Å
192A92.3Very high91.9Very high0 Ų041.8 Ų41.80%020%0.198CC..EExtended strand (participates in β ladder)trans-75.879.2175.600000109.6L179 L181 M189 D190 Q194 F195 L221L179-A192 PolarHBondContact N-O 3.08Å; L179-A192 VanDerWaalsContact O-CB 3.25Å; L179-A192 WeakPolarHBondContact O-CB 3.45Å; L179-A192 PolarHBondContact O-N 3.19Å; L181-A192 HydrophobicContact CB-CB 4.22Å; M189-A192 HydrophobicContact CG-CB 4.33Å; M189-A192 HydrophobicContact SD-CB 4.43Å; D190-A192 VanDerWaalsContact C-N 3.28Å; D190-A192 PolarHBondContact O-N 2.75Å; D190-A192 VanDerWaalsContact O-N 3.15Å; A192-Q194 PolarHBondContact O-N 2.92Å; A192-F195 HydrophobicContact CB-CD2 3.61Å; A192-F195 HydrophobicContact CB-CE2 3.8Å; A192-F195 PolarHBondContact O-N 2.82Å; A192-L221 HydrophobicContact CB-CD1 4.48Å
193E93.2Very high92.1Very high83 Ų8340.5 Ų40.539%0.38819%0.193SC..G310 helixtrans-57.1-26.3179.663.9-177.2-168.800112.9H177 D191 F195 M196H177-E193 IonicContact CE1-OE2 2.86Å; D191-E193 PolarHBondContact O-N 3.37Å; E193-F195 PolarHBondContact O-N 2.96Å; E193-M196 PolarHBondContact O-N 3.49Å; E193-M196 VanDerWaalsContact O-N 3.08Å
194Q95Very high92.3Very high23 Ų2342.2 Ų42.211%0.10720%0.2CC..G310 helixtrans-62.1-17.5-175.7-65.472.328.200113.5A192 L221 Q222 T227 R231A192-Q194 PolarHBondContact O-N 2.92Å; Q194-L221 HydrophobicContact CB-CB 4.33Å; Q194-L221 HydrophobicContact CG-CB 4.09Å; Q194-Q222 HydrophobicContact CG-CG 4.03Å; Q194-T227 HydrophobicContact CB-CG2 3.81Å; Q194-R231 VanDerWaalsContact O-CD 3.28Å; Q194-R231 WeakPolarHBondContact O-CD 3.23Å
195F96.4Very high92.8Very high0 Ų037 Ų370%018%0.176CC..G310 helixtrans-90.9-6.2-179.3-66.8-68.4000114.6L179 L181 A192 E193 I207 L212 L221 T227 L230 L234L179-F195 HydrophobicContact CD1-CB 4.1Å; L181-F195 HydrophobicContact CB-CE2 4.44Å; L181-F195 HydrophobicContact CD1-CE2 3.86Å; L181-F195 HydrophobicContact CD1-CZ 3.91Å; L181-F195 HydrophobicContact CD2-CE2 4.11Å; L181-F195 HydrophobicContact CD2-CZ 4.38Å; L181-F195 HydrophobicContact CG-CE2 4.36Å; A192-F195 HydrophobicContact CB-CD2 3.61Å; A192-F195 HydrophobicContact CB-CE2 3.8Å; A192-F195 PolarHBondContact O-N 2.82Å; E193-F195 PolarHBondContact O-N 2.96Å; F195-I207 HydrophobicContact CD1-CD1 4.34Å; F195-I207 HydrophobicContact CD1-CG2 4.48Å; F195-I207 HydrophobicContact CD2-CG2 4.03Å; F195-I207 HydrophobicContact CE1-CD1 4.35Å; F195-I207 HydrophobicContact CE2-CG2 4.13Å; F195-I207 HydrophobicContact CG-CG2 4.21Å; F195-I207 HydrophobicContact CZ-CG2 4.39Å; F195-L212 HydrophobicContact CE1-CD1 4.28Å; F195-L212 HydrophobicContact CZ-CD1 3.78Å; F195-L221 HydrophobicContact CE2-CD1 4.09Å; F195-L221 HydrophobicContact CE2-CD2 4.18Å; F195-L221 HydrophobicContact CZ-CD2 3.77Å; F195-T227 HydrophobicContact CD1-CG2 4.15Å; F195-T227 HydrophobicContact CE1-CG2 3.8Å; F195-T227 HydrophobicContact CZ-CG2 4.17Å; F195-L230 HydrophobicContact CD1-CB 3.95Å; F195-L230 HydrophobicContact CE1-CB 3.94Å; F195-L230 HydrophobicContact CE1-CD1 3.81Å; F195-L234 HydrophobicContact CB-CD1 3.76Å; F195-L234 HydrophobicContact CD1-CD1 4.24Å; F195-L234 HydrophobicContact CG-CD1 4.32Å
196M96.2Very high93.2Very high11 Ų1128.7 Ų28.75%0.05415%0.145CC..SBendtrans-132.5143.9175.9-72.6-64.817000110.8L160 L179 E193 L200 V203 L234 V238L160-M196 HydrophobicContact CD1-CE 3.94Å; L160-M196 HydrophobicContact CD2-CE 3.85Å; L179-M196 HydrophobicContact CD1-CE 3.9Å; L179-M196 HydrophobicContact CD2-CE 4.36Å; L179-M196 HydrophobicContact CG-CE 4.45Å; L179-M196 HydrophobicContact CG-CG 4.38Å; E193-M196 PolarHBondContact O-N 3.49Å; E193-M196 VanDerWaalsContact O-N 3.08Å; M196-L200 HydrophobicContact SD-CB 4.45Å; M196-L200 HydrophobicContact SD-CD1 4.47Å; M196-V203 HydrophobicContact CE-CB 4.5Å; M196-V203 HydrophobicContact CE-CG1 3.94Å; M196-L234 HydrophobicContact CE-CB 3.7Å; M196-L234 HydrophobicContact CE-CD1 4.33Å; M196-L234 HydrophobicContact CE-CG 4.47Å; M196-L234 HydrophobicContact SD-CB 4.41Å; M196-V238 HydrophobicContact CE-CG2 3.71Å; M196-V238 HydrophobicContact SD-CG2 4.1Å
197P96.1Very high93.9Very high18 Ų1825 Ų2512%0.11712%0.123CC..  trans-70.5158.5167.932.4-34.7000110.2Y199 L200 R201 T235P197-Y199 VanDerWaalsContact C-N 3.33Å; P197-Y199 HydrophobicContact CB-CD1 3.59Å; P197-Y199 HydrophobicContact CB-CE1 3.38Å; P197-Y199 HydrophobicContact CG-CD1 3.75Å; P197-Y199 HydrophobicContact CG-CE1 3.24Å; P197-Y199 HydrophobicContact CG-CE2 4.4Å; P197-Y199 HydrophobicContact CG-CG 4.48Å; P197-Y199 PolarHBondContact O-N 2.79Å; P197-L200 HydrophobicContact CG-CB 4.07Å; P197-L200 HydrophobicContact CG-CD1 3.8Å; P197-L200 HydrophobicContact CG-CG 3.92Å; P197-L200 CarbonylContact O-C 3.58Å; P197-L200 WeakPolarHBondContact O-CA 3.43Å; P197-L200 PolarHBondContact O-N 2.91Å; P197-R201 PolarHBondContact O-N 3.14Å; P197-T235 VanDerWaalsContact CD-OG1 3.28Å; P197-T235 WeakPolarHBondContact CD-OG1 3.44Å; P197-T235 HydrophobicContact CG-CG2 4.09Å
198N94.4Very high94.3Very high66 Ų6621 Ų2135%0.35311%0.106SC..G310 helixtrans-62.5-38-174.5172.759.7000112.3L200 R201 E266 E270N198-L200 PolarHBondContact O-N 2.89Å; N198-R201 PolarHBondContact ND2-NH1 3.04Å; N198-R201 VanDerWaalsContact O-CB 3.25Å; N198-R201 WeakPolarHBondContact O-CB 3.29Å; N198-R201 WeakPolarHBondContact O-CG 3.34Å; N198-R201 PolarHBondContact O-N 3.34Å; N198-R201 PolarHBondContact O-NH1 3.4Å; N198-R201 PolarHBondContact OD1-NH1 3.01Å; N198-E266 PolarHBondContact ND2-OE2 2.96Å; N198-E270 WeakPolarHBondContact CB-OE2 3.08Å; N198-E270 PolarHBondContact ND2-OE1 3.02Å
199Y96.4Very high94.7Very high0 Ų019.2 Ų19.20%010%0.097CC..G310 helixtrans-63.1-6.1172.478.6-92.1000115.2P197 F202 T235 L239 V263 L264 G267 E270 D271 I278P197-Y199 VanDerWaalsContact C-N 3.33Å; P197-Y199 HydrophobicContact CB-CD1 3.59Å; P197-Y199 HydrophobicContact CB-CE1 3.38Å; P197-Y199 HydrophobicContact CG-CD1 3.75Å; P197-Y199 HydrophobicContact CG-CE1 3.24Å; P197-Y199 HydrophobicContact CG-CE2 4.4Å; P197-Y199 HydrophobicContact CG-CG 4.48Å; P197-Y199 PolarHBondContact O-N 2.79Å; Y199-F202 VanDerWaalsContact O-CE1 3.26Å; Y199-F202 WeakPolarHBondContact O-CE1 3.25Å; Y199-T235 WeakPolarHBondContact OH-CG2 3.12Å; Y199-L239 HydrophobicContact CE2-CD2 4.24Å; Y199-V263 WeakPolarHBondContact O-CG1 3.37Å; Y199-L264 HydrophobicContact CD2-CD1 4.02Å; Y199-L264 HydrophobicContact CE2-CD1 4.36Å; Y199-G267 VanDerWaalsContact CG-CA 3.48Å; Y199-E270 HydrophobicContact CD1-CB 4.24Å; Y199-E270 PolarHBondContact N-OE2 2.82Å; Y199-D271 HydrophobicContact CD1-CB 4.33Å; Y199-D271 HydrophobicContact CE1-CB 3.47Å; Y199-D271 VanDerWaalsContact CE1-CB 3.47Å; Y199-D271 PolarHBondContact OH-OD2 2.81Å; Y199-I278 HydrophobicContact CE1-CD1 4.28Å; Y199-I278 HydrophobicContact CE2-CD1 3.81Å; Y199-I278 HydrophobicContact CE2-CG1 4.02Å
200L97.4Very high94.9Very high0 Ų020.1 Ų20.10%011%0.105CC..G310 helixtrans-118.419.1172.7-62-179.7000112.7M196 P197 N198 F202 V203 T235 V238 L264M196-L200 HydrophobicContact SD-CB 4.45Å; M196-L200 HydrophobicContact SD-CD1 4.47Å; P197-L200 HydrophobicContact CG-CB 4.07Å; P197-L200 HydrophobicContact CG-CD1 3.8Å; P197-L200 HydrophobicContact CG-CG 3.92Å; P197-L200 CarbonylContact O-C 3.58Å; P197-L200 WeakPolarHBondContact O-CA 3.43Å; P197-L200 PolarHBondContact O-N 2.91Å; N198-L200 PolarHBondContact O-N 2.89Å; L200-F202 HydrophobicContact CD2-CE1 4.27Å; L200-F202 HydrophobicContact CD2-CE2 4.36Å; L200-F202 HydrophobicContact CD2-CZ 3.67Å; L200-F202 PolarHBondContact O-N 2.96Å; L200-V203 HydrophobicContact CB-CG2 4.08Å; L200-V203 WeakPolarHBondContact O-CB 3.41Å; L200-V203 VanDerWaalsContact O-CG2 3.26Å; L200-V203 WeakPolarHBondContact O-CG2 3.43Å; L200-V203 PolarHBondContact O-N 2.81Å; L200-T235 HydrophobicContact CD1-CG2 4.04Å; L200-V238 HydrophobicContact CD1-CB 3.97Å; L200-V238 HydrophobicContact CD1-CG1 3.9Å; L200-V238 HydrophobicContact CD2-CG1 3.95Å; L200-V238 HydrophobicContact CG-CG1 4.46Å; L200-L264 HydrophobicContact CD2-CD1 4.05Å
201R95.6Very high95Very high21 Ų2120.5 Ų20.58%0.07911%0.107CC..THydrogen-bonded Turntrans-57.6-18.4-178.964.2-176.5169.6-88.66115.2H177 P197 N198 V203 R204 V263 E266H177-R201 HydrophobicContact CB-CB 4.23Å; H177-R201 VanDerWaalsContact CD2-CB 3.49Å; H177-R201 WeakPolarHBondContact CD2-CB 3.45Å; P197-R201 PolarHBondContact O-N 3.14Å; N198-R201 PolarHBondContact ND2-NH1 3.04Å; N198-R201 VanDerWaalsContact O-CB 3.25Å; N198-R201 WeakPolarHBondContact O-CB 3.29Å; N198-R201 WeakPolarHBondContact O-CG 3.34Å; N198-R201 PolarHBondContact O-N 3.34Å; N198-R201 PolarHBondContact O-NH1 3.4Å; N198-R201 PolarHBondContact OD1-NH1 3.01Å; R201-V203 VanDerWaalsContact C-N 3.27Å; R201-V203 PolarHBondContact O-N 2.8Å; R201-R204 PolarHBondContact O-NH1 2.97Å; R201-V263 HydrophobicContact CG-CG1 4.22Å; R201-V263 VanDerWaalsContact NH1-CG1 3.26Å; R201-V263 VanDerWaalsContact NH2-CG2 3.29Å; R201-E266 IonicContact CZ-OE1 3.54Å; R201-E266 IonicContact CZ-OE2 2.78Å; R201-E266 IonicContact NH1-OE1 3.25Å; R201-E266 PolarHBondContact NH1-OE1 2.68Å; R201-E266 IonicContact NH1-OE2 2.66Å; R201-E266 PolarHBondContact NH1-OE2 3.29Å; R201-E266 IonicContact NH2-OE1 3.48Å; R201-E266 PolarHBondContact NH2-OE1 2.67Å; R201-E266 IonicContact NH2-OE2 3.61Å
202F95.6Very high95.1Very high1 Ų118.5 Ų18.50%0.00410%0.096CC..THydrogen-bonded Turntrans-74.6-15.1175.855-102.8000113.7I162 P163 M170 Y199 L200 R204 F256 F260 V263I162-F202 HydrophobicContact CD1-CD2 4.25Å; I162-F202 HydrophobicContact CD1-CE2 3.93Å; P163-F202 VanDerWaalsContact CD-O 3.25Å; P163-F202 WeakPolarHBondContact CD-O 3.22Å; P163-F202 WeakPolarHBondContact CG-O 3.25Å; M170-F202 HydrophobicContact CE-CB 3.68Å; Y199-F202 VanDerWaalsContact O-CE1 3.26Å; Y199-F202 WeakPolarHBondContact O-CE1 3.25Å; L200-F202 HydrophobicContact CD2-CE1 4.27Å; L200-F202 HydrophobicContact CD2-CE2 4.36Å; L200-F202 HydrophobicContact CD2-CZ 3.67Å; L200-F202 PolarHBondContact O-N 2.96Å; F202-R204 PolarHBondContact O-N 3.5Å; F202-F256 AromaticContact CE2-CE2 3.72Å; F202-F256 HydrophobicContact CE2-CE2 3.72Å; F202-F256 HydrophobicContact CE2-CZ 4.39Å; F202-F256 AromaticContact CZ-CE2 3.76Å; F202-F256 HydrophobicContact CZ-CE2 3.76Å; F202-F256 HydrophobicContact CZ-CZ 4.02Å; F202-F260 HydrophobicContact CB-CD1 3.4Å; F202-F260 VanDerWaalsContact CB-CD1 3.4Å; F202-F260 HydrophobicContact CB-CE1 3.54Å; F202-F260 HydrophobicContact CB-CG 4.25Å; F202-F260 HydrophobicContact CB-CZ 4.49Å; F202-F260 HydrophobicContact CD1-CB 3.85Å; F202-F260 AromaticContact CD1-CD1 3.83Å; F202-F260 HydrophobicContact CD1-CD1 3.83Å; F202-F260 HydrophobicContact CD1-CG 4.04Å; F202-F260 HydrophobicContact CD2-CD1 4.17Å; F202-F260 HydrophobicContact CD2-CG 4.2Å; F202-F260 HydrophobicContact CE1-CB 3.88Å; F202-F260 HydrophobicContact CE1-CG 4.45Å; F202-F260 HydrophobicContact CG-CB 4.22Å; F202-F260 AromaticContact CG-CD1 3.54Å; F202-F260 HydrophobicContact CG-CD1 3.54Å; F202-F260 HydrophobicContact CG-CE1 4.08Å; F202-F260 AromaticContact CG-CG 3.9Å; F202-F260 HydrophobicContact CG-CG 3.9Å; F202-F260 HydrophobicContact CZ-CB 4.29Å; F202-V263 HydrophobicContact CD1-CB 4.3Å; F202-V263 HydrophobicContact CD1-CG1 3.95Å; F202-V263 HydrophobicContact CE1-CB 4.43Å; F202-V263 HydrophobicContact CE1-CG1 4.1Å
203V97.3Very high95.1Very high1 Ų121.5 Ų21.51%0.00612%0.116CC..  trans-65132.2178.3-179.90000109.3L160 I162 L179 M196 L200 R201 V238L160-V203 HydrophobicContact CB-CG1 4.21Å; L160-V203 HydrophobicContact CD2-CG1 4.33Å; I162-V203 HydrophobicContact CD1-CG2 3.91Å; L179-V203 HydrophobicContact CD2-CG1 4.19Å; M196-V203 HydrophobicContact CE-CB 4.5Å; M196-V203 HydrophobicContact CE-CG1 3.94Å; L200-V203 HydrophobicContact CB-CG2 4.08Å; L200-V203 WeakPolarHBondContact O-CB 3.41Å; L200-V203 VanDerWaalsContact O-CG2 3.26Å; L200-V203 WeakPolarHBondContact O-CG2 3.43Å; L200-V203 PolarHBondContact O-N 2.81Å; R201-V203 VanDerWaalsContact C-N 3.27Å; R201-V203 PolarHBondContact O-N 2.8Å; V203-V238 HydrophobicContact CG1-CG2 4.21Å; V203-V238 HydrophobicContact CG2-CG1 3.78Å; V203-V238 HydrophobicContact CG2-CG2 3.98Å
204R95.9Very high94.8Very high36 Ų3622 Ų2214%0.13612%0.121CC..EExtended strand (participates in β ladder)trans-114.7161.6174.1-63.7-63.3-179.5-115.18109.5Y132 A136 L160 Y161 P163 H175 R201 F202Y132-R204 HydrophobicContact CE2-CB 4.15Å; A136-R204 HydrophobicContact CB-CB 4.31Å; A136-R204 HydrophobicContact CB-CG 4.28Å; L160-R204 CarbonylContact C-O 3.58Å; Y161-R204 PolarHBondContact N-O 3.01Å; Y161-R204 PolarHBondContact O-N 2.94Å; P163-R204 HydrophobicContact CG-CG 4Å; H175-R204 PolarHBondContact CE1-NH2 3Å; H175-R204 PolarHBondContact NE2-NH2 3.43Å; R201-R204 PolarHBondContact O-NH1 2.97Å; F202-R204 PolarHBondContact O-N 3.5Å
205G96.2Very high94.4Very high5 Ų526.8 Ų26.85%0.05215%0.147CC..EExtended strand (participates in β ladder)trans136.5-154.9-179.400000113.7L159 K180L159-G205 CarbonylContact O-C 3.59Å; L159-G205 WeakPolarHBondContact O-CA 3.5Å; K180-G205 PolarHBondContact N-O 3.49Å
206L95.8Very high94Very high0 Ų027.2 Ų27.20%015%0.149CC..EExtended strand (participates in β ladder)trans-144.7160.6-17964.888.1000112.7W116 F131 L159 K180 Y182W116-L206 HydrophobicContact CB-CD1 4.12Å; W116-L206 HydrophobicContact CD2-CD1 3.77Å; W116-L206 HydrophobicContact CD2-CD2 3.76Å; W116-L206 HydrophobicContact CD2-CG 4.46Å; W116-L206 HydrophobicContact CE3-CD1 4.21Å; W116-L206 HydrophobicContact CE3-CD2 3.3Å; W116-L206 HydrophobicContact CE3-CG 4.41Å; W116-L206 HydrophobicContact CG-CD1 3.74Å; W116-L206 HydrophobicContact CG-CD2 4.42Å; W116-L206 HydrophobicContact CH2-CD2 4.24Å; W116-L206 HydrophobicContact CZ3-CD2 3.58Å; F131-L206 HydrophobicContact CE1-CD2 3.64Å; F131-L206 HydrophobicContact CZ-CD2 3.53Å; L159-L206 HydrophobicContact CB-CD1 4.28Å; L159-L206 HydrophobicContact CB-CG 4.18Å; L159-L206 PolarHBondContact N-O 3.19Å; L159-L206 PolarHBondContact O-N 3.2Å; K180-L206 HydrophobicContact CB-CB 4.05Å; K180-L206 WeakPolarHBondContact O-CA 3.32Å; K180-L206 WeakPolarHBondContact O-CB 3.16Å; Y182-L206 HydrophobicContact CD2-CB 4.2Å; Y182-L206 HydrophobicContact CE2-CB 4.25Å; Y182-L206 HydrophobicContact CE2-CD2 4.29Å
207I96.7Very high93.7Very high0 Ų028.8 Ų28.80%016%0.162CC..EExtended strand (participates in β ladder)trans-127.1131.5163.1-178.8173000108.7Y156 T157 L179 K180 L181 Y182 F195 L230 L234Y156-I207 HydrophobicContact CD2-CD1 3.92Å; Y156-I207 HydrophobicContact CD2-CG1 4.09Å; Y156-I207 HydrophobicContact CG-CD1 4.24Å; T157-I207 CarbonylContact O-C 3.58Å; T157-I207 WeakPolarHBondContact O-CA 3.3Å; L179-I207 HydrophobicContact CB-CG2 4.49Å; L179-I207 HydrophobicContact CD1-CB 4.4Å; L179-I207 HydrophobicContact CD1-CG2 4.31Å; K180-I207 PolarHBondContact O-N 3.28Å; L181-I207 HydrophobicContact CD1-CG2 3.84Å; Y182-I207 PolarHBondContact N-O 3.13Å; F195-I207 HydrophobicContact CD1-CD1 4.34Å; F195-I207 HydrophobicContact CD1-CG2 4.48Å; F195-I207 HydrophobicContact CD2-CG2 4.03Å; F195-I207 HydrophobicContact CE1-CD1 4.35Å; F195-I207 HydrophobicContact CE2-CG2 4.13Å; F195-I207 HydrophobicContact CG-CG2 4.21Å; F195-I207 HydrophobicContact CZ-CG2 4.39Å; I207-L230 HydrophobicContact CD1-CB 4.16Å; I207-L230 HydrophobicContact CD1-CD1 3.89Å; I207-L230 HydrophobicContact CD1-CD2 4.02Å; I207-L230 HydrophobicContact CD1-CG 4.24Å; I207-L234 HydrophobicContact CD1-CD1 3.92Å
208D94.8Very high93.2Very high10 Ų1032.8 Ų32.85%0.05317%0.174CC..EExtended strand (participates in β ladder)trans-112.6105.6170.9-172-0.3000108.6W116 Y156 T157 Y182 Q184 R185W116-D208 PolarHBondContact NE1-OD2 3.07Å; Y156-D208 CarbonylContact C-O 3.58Å; Y156-D208 WeakPolarHBondContact CA-O 3.19Å; Y156-D208 VanDerWaalsContact CB-O 3.32Å; Y156-D208 WeakPolarHBondContact CB-O 3.49Å; T157-D208 PolarHBondContact N-O 3.3Å; T157-D208 PolarHBondContact O-N 3.19Å; Y182-D208 CarbonylContact O-C 3.53Å; Y182-D208 VanDerWaalsContact O-CA 3.3Å; Y182-D208 WeakPolarHBondContact O-CA 3.32Å; Q184-D208 PolarHBondContact N-OD1 3.42Å; R185-D208 WeakPolarHBondContact CA-OD2 3.25Å; R185-D208 WeakPolarHBondContact CG-OD2 3.29Å; R185-D208 PolarHBondContact N-OD1 3.34Å; R185-D208 PolarHBondContact N-OD2 3.37Å
209S95.1Very high93Very high0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-104.5134.4-175.1-177.50000111.7Y182 V183 Q184 D211 L212Y182-S209 PolarHBondContact O-N 3Å; V183-S209 WeakPolarHBondContact CA-O 3.38Å; Q184-S209 PolarHBondContact N-O 3.36Å; S209-D211 PolarHBondContact OG-N 3.15Å; S209-L212 PolarHBondContact OG-N 3Å
210S93.2Very high92.5Very high41 Ų4140.5 Ų40.529%0.28721%0.21SC..SBendtrans-85.9-18.4171-61.30000112.4E155E155-S210 PolarHBondContact O-N 3.23Å; E155-S210 PolarHBondContact OE1-OG 2.82Å
211D91.8Very high92.2Very high66 Ų6640.6 Ų40.635%0.35321%0.21SC..SBendtrans-90.9-16.4-173.2-59.7-45.5000114.3Q154 E155 S209 V226Q154-D211 WeakPolarHBondContact CA-OD2 3.44Å; Q154-D211 PolarHBondContact OE1-OD2 3.31Å; E155-D211 PolarHBondContact N-OD2 3.33Å; S209-D211 PolarHBondContact OG-N 3.15Å; D211-V226 HydrophobicContact CB-CG1 3.98Å
212L92.7Very high92Very high7 Ų745.2 Ų45.24%0.03723%0.233CC..SBendtrans-86.2145.7176-69.4172.6000110.1L181 V183 F195 S209 L221 V226 L230L181-L212 HydrophobicContact CD1-CD1 4.01Å; V183-L212 WeakPolarHBondContact CG1-O 2.74Å; V183-L212 HydrophobicContact CG2-CB 3.8Å; F195-L212 HydrophobicContact CE1-CD1 4.28Å; F195-L212 HydrophobicContact CZ-CD1 3.78Å; S209-L212 PolarHBondContact OG-N 3Å; L212-L221 HydrophobicContact CD1-CD2 4.13Å; L212-L221 HydrophobicContact CD2-CD2 4.41Å; L212-V226 HydrophobicContact CD2-CB 4.07Å; L212-V226 HydrophobicContact CD2-CG1 3.76Å; L212-V226 HydrophobicContact CG-CG1 4.11Å; L212-L230 HydrophobicContact CD1-CD1 4.11Å; L212-L230 HydrophobicContact CG-CD1 4.42Å
213P90.5Very high91.5Very high63 Ų6352.1 Ų52.141%0.40927%0.27SS..  trans-78.9150.5177.134.3-36.4000111.3N215 V216P213-N215 WeakPolarHBondContact CB-OD1 3.24Å; P213-N215 PolarHBondContact O-N 3.35Å; P213-V216 HydrophobicContact CG-CB 4.29Å; P213-V216 WeakPolarHBondContact O-CB 3.21Å; P213-V216 VanDerWaalsContact O-CG1 3.24Å; P213-V216 WeakPolarHBondContact O-CG1 3.34Å; P213-V216 PolarHBondContact O-N 2.99Å; P213-V216 VanDerWaalsContact O-N 3.08Å
214L86.8Confident91.1Very high93 Ų9353.2 Ų53.249%0.48728%0.277SS..THydrogen-bonded Turntrans-62.4-24.4-179.1-74.5169.4000114.1V183 V186 I188 V216V183-L214 HydrophobicContact CB-CD2 4.06Å; V183-L214 HydrophobicContact CG1-CD2 3.77Å; V183-L214 HydrophobicContact CG1-CG 4.14Å; V183-L214 WeakPolarHBondContact O-CD2 3.38Å; V186-L214 HydrophobicContact CB-CD2 3.86Å; V186-L214 HydrophobicContact CG1-CD2 4.37Å; V186-L214 HydrophobicContact CG2-CD2 3.99Å; I188-L214 HydrophobicContact CD1-CD2 4.35Å; L214-V216 PolarHBondContact O-N 2.99Å
215N87.7Confident91Very high124 Ų12455.4 Ų55.466%0.66330%0.295SS*.THydrogen-bonded Turntrans-87.815.2177.768.1-18.8000113.1P213 S217P213-N215 WeakPolarHBondContact CB-OD1 3.24Å; P213-N215 PolarHBondContact O-N 3.35Å; N215-S217 PolarHBondContact O-N 3.15Å
216V88.8Confident91Very high8 Ų857 Ų575%0.04830%0.304CS..  trans-63.5130.2-179.268.60000111.3L181 V183 I188 P213 L214 I220 L221L181-V216 HydrophobicContact CD2-CG1 3.93Å; V183-V216 HydrophobicContact CG2-CG1 4.14Å; I188-V216 HydrophobicContact CG1-CG1 4.43Å; I188-V216 HydrophobicContact CG2-CG1 3.79Å; I188-V216 WeakPolarHBondContact CG2-O 2.94Å; P213-V216 HydrophobicContact CG-CB 4.29Å; P213-V216 WeakPolarHBondContact O-CB 3.21Å; P213-V216 VanDerWaalsContact O-CG1 3.24Å; P213-V216 WeakPolarHBondContact O-CG1 3.34Å; P213-V216 PolarHBondContact O-N 2.99Å; P213-V216 VanDerWaalsContact O-N 3.08Å; L214-V216 PolarHBondContact O-N 2.99Å; V216-I220 HydrophobicContact CG2-CB 4.11Å; V216-I220 HydrophobicContact CG2-CG2 3.92Å; V216-L221 HydrophobicContact CG2-CD2 3.49Å; V216-L221 VanDerWaalsContact CG2-CD2 3.49Å; V216-L221 HydrophobicContact CG2-CG 3.74Å
217S88.4Confident90.9Very high44 Ų4457.2 Ų57.231%0.30831%0.305SS..  trans-113.7170.6175.573.60000110.6N215 E219 I220 L221N215-S217 PolarHBondContact O-N 3.15Å; S217-E219 PolarHBondContact O-N 2.94Å; S217-I220 PolarHBondContact O-N 3.4Å; S217-I220 VanDerWaalsContact O-N 3.15Å; S217-I220 WeakPolarHBondContact OG-CG1 3.47Å; S217-I220 PolarHBondContact OG-N 3.22Å; S217-L221 WeakPolarHBondContact O-CG 3.41Å; S217-L221 PolarHBondContact O-N 2.86Å
218R86.5Confident90.8Very high103 Ų10362.8 Ų62.839%0.38933%0.326SS..Hα-helixtrans-57.1-38.7176.3-70.4-176.8-178-79-2.1112.5M189 D190 D191 L221 Q222M189-R218 HydrophobicContact CE-CG 4.34Å; M189-R218 HydrophobicContact SD-CG 3.66Å; D190-R218 PolarHBondContact O-NH2 3.25Å; D191-R218 PolarHBondContact O-NH1 2.89Å; R218-L221 PolarHBondContact O-N 3.38Å; R218-Q222 WeakPolarHBondContact O-CG 3.28Å; R218-Q222 PolarHBondContact O-N 3.47Å
219E89Confident90.9Very high151 Ų15164.9 Ų64.971%0.70634%0.337SS*.Hα-helixtrans-63.9-45.8176.3-63.6175.7176.700111.1S217 L221 Q222S217-E219 PolarHBondContact O-N 2.94Å; E219-L221 VanDerWaalsContact C-N 3.28Å; E219-L221 PolarHBondContact O-N 2.99Å; E219-Q222 PolarHBondContact O-N 3.38Å
220I87Confident90.9Very high77 Ų7764.9 Ų64.940%0.39534%0.337SS..Hα-helixtrans-63.4-35.9178.3-63.5170.3000111.2V216 S217 Q222 S224V216-I220 HydrophobicContact CG2-CB 4.11Å; V216-I220 HydrophobicContact CG2-CG2 3.92Å; S217-I220 PolarHBondContact O-N 3.4Å; S217-I220 VanDerWaalsContact O-N 3.15Å; S217-I220 WeakPolarHBondContact OG-CG1 3.47Å; S217-I220 PolarHBondContact OG-N 3.22Å; I220-Q222 VanDerWaalsContact C-N 3.33Å; I220-Q222 PolarHBondContact O-N 3.5Å; I220-S224 VanDerWaalsContact O-CB 3.3Å; I220-S224 WeakPolarHBondContact O-CB 3.39Å; I220-S224 PolarHBondContact O-N 3.43Å
221L91.4Very high91.1Very high1 Ų168 Ų681%0.00534%0.343CS..Hα-helixtrans-63.5-38178.2-71176.8000112.5L181 M189 A192 Q194 F195 L212 V216 S217 R218 E219 D223 S224 T227L181-L221 HydrophobicContact CD2-CD1 3.95Å; L181-L221 HydrophobicContact CD2-CD2 4.18Å; M189-L221 HydrophobicContact CE-CD1 3.94Å; M189-L221 HydrophobicContact SD-CD1 3.74Å; A192-L221 HydrophobicContact CB-CD1 4.48Å; Q194-L221 HydrophobicContact CB-CB 4.33Å; Q194-L221 HydrophobicContact CG-CB 4.09Å; F195-L221 HydrophobicContact CE2-CD1 4.09Å; F195-L221 HydrophobicContact CE2-CD2 4.18Å; F195-L221 HydrophobicContact CZ-CD2 3.77Å; L212-L221 HydrophobicContact CD1-CD2 4.13Å; L212-L221 HydrophobicContact CD2-CD2 4.41Å; V216-L221 HydrophobicContact CG2-CD2 3.49Å; V216-L221 VanDerWaalsContact CG2-CD2 3.49Å; V216-L221 HydrophobicContact CG2-CG 3.74Å; S217-L221 WeakPolarHBondContact O-CG 3.41Å; S217-L221 PolarHBondContact O-N 2.86Å; R218-L221 PolarHBondContact O-N 3.38Å; E219-L221 VanDerWaalsContact C-N 3.28Å; E219-L221 PolarHBondContact O-N 2.99Å; L221-D223 PolarHBondContact O-N 2.63Å; L221-S224 PolarHBondContact O-N 3.32Å; L221-T227 HydrophobicContact CB-CG2 4.3Å; L221-T227 HydrophobicContact CD2-CG2 4.32Å; L221-T227 WeakPolarHBondContact CD2-OG1 3.44Å; L221-T227 VanDerWaalsContact O-CB 3.24Å; L221-T227 WeakPolarHBondContact O-CB 3.46Å; L221-T227 WeakPolarHBondContact O-CG2 3.45Å; L221-T227 PolarHBondContact O-OG1 2.86Å
222Q90.2Very high91.3Very high119 Ų11968.1 Ų68.156%0.55634%0.343SS*.Hα-helixtrans-63.8-39.7-176.5-72.3174.5-7.900112.4Q194 R218 E219 I220Q194-Q222 HydrophobicContact CG-CG 4.03Å; R218-Q222 WeakPolarHBondContact O-CG 3.28Å; R218-Q222 PolarHBondContact O-N 3.47Å; E219-Q222 PolarHBondContact O-N 3.38Å; I220-Q222 VanDerWaalsContact C-N 3.33Å; I220-Q222 PolarHBondContact O-N 3.5Å
223D85.2Confident91.5Very high146 Ų14669.4 Ų69.478%0.78136%0.355SS*.THydrogen-bonded Turntrans-94.15.5-177.1-69.6-33.9000114.1L221L221-D223 PolarHBondContact O-N 2.63Å
224S90.5Very high91.8Very high23 Ų2366.4 Ų66.416%0.16134%0.335CS..  trans-88.4126-173.5171.10000113.7I220 L221 V226 T227 R228I220-S224 VanDerWaalsContact O-CB 3.3Å; I220-S224 WeakPolarHBondContact O-CB 3.39Å; I220-S224 PolarHBondContact O-N 3.43Å; L221-S224 PolarHBondContact O-N 3.32Å; S224-V226 VanDerWaalsContact C-N 3.27Å; S224-V226 PolarHBondContact O-N 2.87Å; S224-V226 PolarHBondContact OG-N 2.96Å; S224-T227 VanDerWaalsContact CB-OG1 3.28Å; S224-T227 WeakPolarHBondContact CB-OG1 3.34Å; S224-T227 PolarHBondContact O-N 2.81Å; S224-T227 PolarHBondContact OG-N 3.49Å; S224-T227 VanDerWaalsContact OG-N 3.14Å; S224-T227 PolarHBondContact OG-OG1 3.1Å; S224-R228 PolarHBondContact O-N 3.39Å
225T93.8Very high92.4Very high83 Ų8362 Ų6251%0.50931%0.313SS..Hα-helixtrans-64.7-32.1170.7-64.70000112R228 N229T225-R228 PolarHBondContact O-N 2.8Å; T225-R228 PolarHBondContact OG1-NH1 3.28Å; T225-N229 VanDerWaalsContact O-CG 3.23Å; T225-N229 PolarHBondContact O-N 2.91Å; T225-N229 VanDerWaalsContact O-N 3.08Å; T225-N229 PolarHBondContact O-ND2 2.91Å; T225-N229 VanDerWaalsContact O-ND2 3.1Å
226V94.4Very high92.9Very high38 Ų3861.8 Ų61.823%0.2331%0.306CS..Hα-helixtrans-63.7-48.9174.4176.60000109.5D211 L212 S224 R228 N229 L230D211-V226 HydrophobicContact CB-CG1 3.98Å; L212-V226 HydrophobicContact CD2-CB 4.07Å; L212-V226 HydrophobicContact CD2-CG1 3.76Å; L212-V226 HydrophobicContact CG-CG1 4.11Å; S224-V226 VanDerWaalsContact C-N 3.27Å; S224-V226 PolarHBondContact O-N 2.87Å; S224-V226 PolarHBondContact OG-N 2.96Å; V226-R228 VanDerWaalsContact C-N 3.34Å; V226-R228 PolarHBondContact O-N 2.84Å; V226-N229 PolarHBondContact O-N 3.07Å; V226-N229 VanDerWaalsContact O-N 3.12Å; V226-L230 HydrophobicContact CG1-CD1 3.85Å; V226-L230 HydrophobicContact CG1-CG 4.29Å; V226-L230 WeakPolarHBondContact O-CG 3.33Å; V226-L230 PolarHBondContact O-N 3.03Å
227T94.9Very high93.3Very high4 Ų465.3 Ų65.33%0.02532%0.318CS..Hα-helixtrans-58.3-44.3177.7-55.50000111.8Q194 F195 L221 S224 N229 L230 R231Q194-T227 HydrophobicContact CB-CG2 3.81Å; F195-T227 HydrophobicContact CD1-CG2 4.15Å; F195-T227 HydrophobicContact CE1-CG2 3.8Å; F195-T227 HydrophobicContact CZ-CG2 4.17Å; L221-T227 HydrophobicContact CB-CG2 4.3Å; L221-T227 HydrophobicContact CD2-CG2 4.32Å; L221-T227 WeakPolarHBondContact CD2-OG1 3.44Å; L221-T227 VanDerWaalsContact O-CB 3.24Å; L221-T227 WeakPolarHBondContact O-CB 3.46Å; L221-T227 WeakPolarHBondContact O-CG2 3.45Å; L221-T227 PolarHBondContact O-OG1 2.86Å; S224-T227 VanDerWaalsContact CB-OG1 3.28Å; S224-T227 WeakPolarHBondContact CB-OG1 3.34Å; S224-T227 PolarHBondContact O-N 2.81Å; S224-T227 PolarHBondContact OG-N 3.49Å; S224-T227 VanDerWaalsContact OG-N 3.14Å; S224-T227 PolarHBondContact OG-OG1 3.1Å; T227-N229 VanDerWaalsContact C-N 3.34Å; T227-N229 PolarHBondContact O-N 3.41Å; T227-L230 PolarHBondContact O-N 3.32Å; T227-R231 WeakPolarHBondContact O-CB 3.43Å; T227-R231 PolarHBondContact O-N 3.32Å
228R94.8Very high93.8Very high117 Ų11763.2 Ų63.244%0.44230%0.304SS..Hα-helixtrans-59.9-42.2176.3-167.4-176-53110.98.2112.7S224 T225 V226 N232S224-R228 PolarHBondContact O-N 3.39Å; T225-R228 PolarHBondContact O-N 2.8Å; T225-R228 PolarHBondContact OG1-NH1 3.28Å; V226-R228 VanDerWaalsContact C-N 3.34Å; V226-R228 PolarHBondContact O-N 2.84Å; R228-N232 VanDerWaalsContact O-CG 3.28Å; R228-N232 PolarHBondContact O-N 2.9Å; R228-N232 VanDerWaalsContact O-N 3.09Å
229N95.8Very high94.3Very high55 Ų5558.7 Ų58.729%0.29429%0.287SS..Hα-helixtrans-67.1-42.6177.5-69.7-32.3000111.7Q154 T225 V226 T227 N232 A233Q154-N229 PolarHBondContact NE2-ND2 2.7Å; T225-N229 VanDerWaalsContact O-CG 3.23Å; T225-N229 PolarHBondContact O-N 2.91Å; T225-N229 VanDerWaalsContact O-N 3.08Å; T225-N229 PolarHBondContact O-ND2 2.91Å; T225-N229 VanDerWaalsContact O-ND2 3.1Å; V226-N229 PolarHBondContact O-N 3.07Å; V226-N229 VanDerWaalsContact O-N 3.12Å; T227-N229 VanDerWaalsContact C-N 3.34Å; T227-N229 PolarHBondContact O-N 3.41Å; N229-N232 PolarHBondContact O-N 3.18Å; N229-A233 WeakPolarHBondContact O-CB 3.49Å; N229-A233 PolarHBondContact O-N 3.49Å
230L96.1Very high94.8Very high0 Ų056 Ų560%028%0.275CS..Hα-helixtrans-62.6-45.9175.8-69.4174.6000110.9Q154 Y156 F195 I207 L212 V226 T227 N232 A233 L234Q154-L230 HydrophobicContact CB-CD2 4.29Å; Y156-L230 HydrophobicContact CD1-CD2 3.27Å; Y156-L230 HydrophobicContact CD2-CD2 4.33Å; Y156-L230 HydrophobicContact CE1-CD2 3.49Å; Y156-L230 VanDerWaalsContact CE1-CD2 3.49Å; Y156-L230 HydrophobicContact CG-CD2 3.73Å; F195-L230 HydrophobicContact CD1-CB 3.95Å; F195-L230 HydrophobicContact CE1-CB 3.94Å; F195-L230 HydrophobicContact CE1-CD1 3.81Å; I207-L230 HydrophobicContact CD1-CB 4.16Å; I207-L230 HydrophobicContact CD1-CD1 3.89Å; I207-L230 HydrophobicContact CD1-CD2 4.02Å; I207-L230 HydrophobicContact CD1-CG 4.24Å; L212-L230 HydrophobicContact CD1-CD1 4.11Å; L212-L230 HydrophobicContact CG-CD1 4.42Å; V226-L230 HydrophobicContact CG1-CD1 3.85Å; V226-L230 HydrophobicContact CG1-CG 4.29Å; V226-L230 WeakPolarHBondContact O-CG 3.33Å; V226-L230 PolarHBondContact O-N 3.03Å; T227-L230 PolarHBondContact O-N 3.32Å; L230-N232 PolarHBondContact O-N 3Å; L230-A233 PolarHBondContact O-N 3.03Å; L230-L234 WeakPolarHBondContact O-CB 3.28Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.44Å; L230-L234 PolarHBondContact O-N 3.08Å
231R96.5Very high95.3Very high105 Ų10553 Ų5340%0.39626%0.259SS..Hα-helixtrans-51.9-54.1173.6-173-17780.5173.57.5111Q194 T227 A233 L234 T235Q194-R231 VanDerWaalsContact O-CD 3.28Å; Q194-R231 WeakPolarHBondContact O-CD 3.23Å; T227-R231 WeakPolarHBondContact O-CB 3.43Å; T227-R231 PolarHBondContact O-N 3.32Å; R231-A233 VanDerWaalsContact C-N 3.3Å; R231-A233 PolarHBondContact O-N 2.94Å; R231-L234 PolarHBondContact O-N 2.78Å; R231-T235 WeakPolarHBondContact O-CB 3.38Å; R231-T235 PolarHBondContact O-N 3.31Å; R231-T235 PolarHBondContact O-OG1 3.24Å
232N96.4Very high95.7Very high69 Ų6953 Ų5337%0.36926%0.259SS..Hα-helixtrans-60.9-38.3-179.3-68.4-10.3000112.9R228 N229 L230 K236R228-N232 VanDerWaalsContact O-CG 3.28Å; R228-N232 PolarHBondContact O-N 2.9Å; R228-N232 VanDerWaalsContact O-N 3.09Å; N229-N232 PolarHBondContact O-N 3.18Å; L230-N232 PolarHBondContact O-N 3Å; N232-K236 WeakPolarHBondContact O-CG 3.4Å; N232-K236 PolarHBondContact O-N 2.9Å
233A96.7Very high96.1Very high34 Ų3450.3 Ų50.328%0.28125%0.246SC..Hα-helixtrans-70-40.7178.400000112.1Y156 N229 L230 R231 R237Y156-A233 VanDerWaalsContact OH-CB 3.28Å; Y156-A233 WeakPolarHBondContact OH-CB 3.38Å; N229-A233 WeakPolarHBondContact O-CB 3.49Å; N229-A233 PolarHBondContact O-N 3.49Å; L230-A233 PolarHBondContact O-N 3.03Å; R231-A233 VanDerWaalsContact C-N 3.3Å; R231-A233 PolarHBondContact O-N 2.94Å; A233-R237 PolarHBondContact O-N 3.36Å
234L97.8Very high96.7Very high0 Ų049.6 Ų49.60%024%0.236CC..Hα-helixtrans-67.8-43.7176.5-69.6174.2000111.9Y156 L160 L179 F195 M196 I207 L230 R231 K236 R237 V238Y156-L234 HydrophobicContact CE2-CD2 4.14Å; L160-L234 HydrophobicContact CD1-CD2 4.03Å; L160-L234 HydrophobicContact CD2-CD2 4.31Å; L179-L234 HydrophobicContact CD1-CD1 3.79Å; F195-L234 HydrophobicContact CB-CD1 3.76Å; F195-L234 HydrophobicContact CD1-CD1 4.24Å; F195-L234 HydrophobicContact CG-CD1 4.32Å; M196-L234 HydrophobicContact CE-CB 3.7Å; M196-L234 HydrophobicContact CE-CD1 4.33Å; M196-L234 HydrophobicContact CE-CG 4.47Å; M196-L234 HydrophobicContact SD-CB 4.41Å; I207-L234 HydrophobicContact CD1-CD1 3.92Å; L230-L234 WeakPolarHBondContact O-CB 3.28Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.44Å; L230-L234 PolarHBondContact O-N 3.08Å; R231-L234 PolarHBondContact O-N 2.78Å; L234-K236 VanDerWaalsContact C-N 3.35Å; L234-K236 PolarHBondContact O-N 3.41Å; L234-R237 WeakPolarHBondContact O-CA 3.21Å; L234-R237 WeakPolarHBondContact O-CB 3.26Å; L234-R237 PolarHBondContact O-N 2.7Å; L234-V238 WeakPolarHBondContact O-CG2 3.14Å; L234-V238 PolarHBondContact O-N 2.93Å
235T98.2Very high97Very high2 Ų249.1 Ų49.11%0.01223%0.232CC..Hα-helixtrans-52.5-53.3173.1-60.40000110.7P197 Y199 L200 R231 R237 V238 L239P197-T235 VanDerWaalsContact CD-OG1 3.28Å; P197-T235 WeakPolarHBondContact CD-OG1 3.44Å; P197-T235 HydrophobicContact CG-CG2 4.09Å; Y199-T235 WeakPolarHBondContact OH-CG2 3.12Å; L200-T235 HydrophobicContact CD1-CG2 4.04Å; R231-T235 WeakPolarHBondContact O-CB 3.38Å; R231-T235 PolarHBondContact O-N 3.31Å; R231-T235 PolarHBondContact O-OG1 3.24Å; T235-R237 VanDerWaalsContact C-N 3.26Å; T235-R237 PolarHBondContact O-N 3.06Å; T235-V238 PolarHBondContact O-N 2.98Å; T235-V238 VanDerWaalsContact O-N 3.15Å; T235-L239 HydrophobicContact CG2-CD1 4.07Å; T235-L239 HydrophobicContact CG2-CG 4.47Å; T235-L239 WeakPolarHBondContact O-CG 3.49Å; T235-L239 PolarHBondContact O-N 3.26Å
236K97.8Very high97.2Very high119 Ų11946.1 Ų46.152%0.51722%0.216SC..Hα-helixtrans-58.6-39.2177.8-73.8-178.8178.9-170.80112.2N232 L234 L239 Q240N232-K236 WeakPolarHBondContact O-CG 3.4Å; N232-K236 PolarHBondContact O-N 2.9Å; L234-K236 VanDerWaalsContact C-N 3.35Å; L234-K236 PolarHBondContact O-N 3.41Å; K236-L239 PolarHBondContact O-N 2.87Å; K236-Q240 WeakPolarHBondContact O-CB 3.26Å; K236-Q240 VanDerWaalsContact O-CG 3.24Å; K236-Q240 WeakPolarHBondContact O-CG 3.5Å; K236-Q240 PolarHBondContact O-N 3.31Å
237R97.8Very high97.4Very high82 Ų8250.8 Ų50.831%0.30923%0.233SC..Hα-helixtrans-64-42.5177.8-177.85764.4-175.55.7112.1S146 N148 L160 A233 L234 T235 M241S146-R237 WeakPolarHBondContact OG-CD 3.25Å; N148-R237 VanDerWaalsContact ND2-CD 3.28Å; N148-R237 WeakPolarHBondContact ND2-CD 3.39Å; N148-R237 WeakPolarHBondContact ND2-CG 3.44Å; N148-R237 PolarHBondContact ND2-NE 2.87Å; N148-R237 PolarHBondContact OD1-NE 3.19Å; L160-R237 HydrophobicContact CD1-CB 4.45Å; L160-R237 HydrophobicContact CD1-CG 4.18Å; A233-R237 PolarHBondContact O-N 3.36Å; L234-R237 WeakPolarHBondContact O-CA 3.21Å; L234-R237 WeakPolarHBondContact O-CB 3.26Å; L234-R237 PolarHBondContact O-N 2.7Å; T235-R237 VanDerWaalsContact C-N 3.26Å; T235-R237 PolarHBondContact O-N 3.06Å; R237-M241 WeakPolarHBondContact O-CB 3.28Å; R237-M241 PolarHBondContact O-N 3.2Å
238V98.6Very high97.5Very high0 Ų056 Ų560%026%0.261CS..Hα-helixtrans-65-47.3177.2174.90000110.5L160 I162 M196 L200 V203 L234 T235 Q240 M241 L242L160-V238 HydrophobicContact CD1-CG2 3.69Å; I162-V238 HydrophobicContact CD1-CG1 4.34Å; M196-V238 HydrophobicContact CE-CG2 3.71Å; M196-V238 HydrophobicContact SD-CG2 4.1Å; L200-V238 HydrophobicContact CD1-CB 3.97Å; L200-V238 HydrophobicContact CD1-CG1 3.9Å; L200-V238 HydrophobicContact CD2-CG1 3.95Å; L200-V238 HydrophobicContact CG-CG1 4.46Å; V203-V238 HydrophobicContact CG1-CG2 4.21Å; V203-V238 HydrophobicContact CG2-CG1 3.78Å; V203-V238 HydrophobicContact CG2-CG2 3.98Å; L234-V238 WeakPolarHBondContact O-CG2 3.14Å; L234-V238 PolarHBondContact O-N 2.93Å; T235-V238 PolarHBondContact O-N 2.98Å; T235-V238 VanDerWaalsContact O-N 3.15Å; V238-Q240 VanDerWaalsContact C-N 3.32Å; V238-Q240 PolarHBondContact O-N 3.31Å; V238-M241 HydrophobicContact CG1-CE 4.35Å; V238-M241 WeakPolarHBondContact O-CB 3.36Å; V238-M241 PolarHBondContact O-N 3.42Å; V238-M241 VanDerWaalsContact O-N 3.09Å; V238-L242 HydrophobicContact CG1-CD1 4.09Å; V238-L242 HydrophobicContact CG1-CG 4.38Å; V238-L242 WeakPolarHBondContact O-CG 3.43Å; V238-L242 PolarHBondContact O-N 3.46Å
239L98.6Very high97.6Very high7 Ų753.5 Ų53.54%0.03726%0.256CS..Hα-helixtrans-59.3-43.1178.6-65.2176.1000111.8Y199 T235 K236 M241 L242 E243 N274 A277 I278 L281Y199-L239 HydrophobicContact CE2-CD2 4.24Å; T235-L239 HydrophobicContact CG2-CD1 4.07Å; T235-L239 HydrophobicContact CG2-CG 4.47Å; T235-L239 WeakPolarHBondContact O-CG 3.49Å; T235-L239 PolarHBondContact O-N 3.26Å; K236-L239 PolarHBondContact O-N 2.87Å; L239-M241 PolarHBondContact O-N 3.4Å; L239-L242 PolarHBondContact O-N 3.37Å; L239-E243 WeakPolarHBondContact O-CB 3.47Å; L239-E243 PolarHBondContact O-N 2.9Å; L239-N274 HydrophobicContact CD1-CB 3.58Å; L239-A277 HydrophobicContact CD1-CB 4.18Å; L239-I278 HydrophobicContact CD1-CG1 4.21Å; L239-I278 HydrophobicContact CD2-CG1 3.96Å; L239-L281 HydrophobicContact CB-CD1 4.48Å; L239-L281 HydrophobicContact CD2-CD1 3.65Å
240Q98.3Very high97.6Very high96 Ų9654.4 Ų54.445%0.44927%0.271SS..Hα-helixtrans-64-38.2174.2-74.2174.1-10.100113K236 V238 L242 E243 K244K236-Q240 WeakPolarHBondContact O-CB 3.26Å; K236-Q240 VanDerWaalsContact O-CG 3.24Å; K236-Q240 WeakPolarHBondContact O-CG 3.5Å; K236-Q240 PolarHBondContact O-N 3.31Å; V238-Q240 VanDerWaalsContact C-N 3.32Å; V238-Q240 PolarHBondContact O-N 3.31Å; Q240-L242 VanDerWaalsContact C-N 3.35Å; Q240-E243 PolarHBondContact O-N 3.14Å; Q240-K244 WeakPolarHBondContact O-CB 3.28Å; Q240-K244 PolarHBondContact O-N 3.15Å
241M98.3Very high97.6Very high14 Ų1462.2 Ų62.27%0.06931%0.307CS..Hα-helixtrans-64.2-41.6176.1177.2179.959.600111T144 S146 I162 R237 V238 L239 L245T144-M241 HydrophobicContact CG2-CE 4.39Å; T144-M241 HydrophobicContact CG2-CG 3.79Å; T144-M241 HydrophobicContact CG2-SD 3.84Å; S146-M241 VanDerWaalsContact CB-SD 3.6Å; S146-M241 PolarHBondContact N-SD 3.18Å; I162-M241 HydrophobicContact CD1-CE 3.46Å; I162-M241 VanDerWaalsContact CD1-CE 3.46Å; I162-M241 HydrophobicContact CG1-CE 3.38Å; I162-M241 HydrophobicContact CG1-SD 4.4Å; R237-M241 WeakPolarHBondContact O-CB 3.28Å; R237-M241 PolarHBondContact O-N 3.2Å; V238-M241 HydrophobicContact CG1-CE 4.35Å; V238-M241 WeakPolarHBondContact O-CB 3.36Å; V238-M241 PolarHBondContact O-N 3.42Å; V238-M241 VanDerWaalsContact O-N 3.09Å; L239-M241 PolarHBondContact O-N 3.4Å; M241-L245 WeakPolarHBondContact O-CB 3.28Å; M241-L245 PolarHBondContact O-N 3.47Å
242L98.6Very high97.7Very high0 Ų060.4 Ų60.40%030%0.302CS..Hα-helixtrans-69-39.8175.6-67.8175.7000112I162 V238 L239 Q240 K244 L245 A246 Y253 F256 L281I162-L242 HydrophobicContact CD1-CD2 4.37Å; I162-L242 HydrophobicContact CG1-CD2 4.1Å; V238-L242 HydrophobicContact CG1-CD1 4.09Å; V238-L242 HydrophobicContact CG1-CG 4.38Å; V238-L242 WeakPolarHBondContact O-CG 3.43Å; V238-L242 PolarHBondContact O-N 3.46Å; L239-L242 PolarHBondContact O-N 3.37Å; Q240-L242 VanDerWaalsContact C-N 3.35Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 3.17Å; L242-L245 WeakPolarHBondContact O-CB 3.33Å; L242-L245 PolarHBondContact O-N 3.38Å; L242-A246 PolarHBondContact O-N 2.91Å; L242-Y253 HydrophobicContact CB-CE2 4.38Å; L242-Y253 WeakPolarHBondContact O-CE2 3.17Å; L242-F256 HydrophobicContact CD1-CE1 4.23Å; L242-F256 HydrophobicContact CD1-CE2 4.11Å; L242-F256 HydrophobicContact CD1-CZ 3.62Å; L242-F256 HydrophobicContact CD2-CD1 4.19Å; L242-F256 HydrophobicContact CD2-CD2 3.79Å; L242-F256 HydrophobicContact CD2-CE1 3.96Å; L242-F256 HydrophobicContact CD2-CE2 3.54Å; L242-F256 HydrophobicContact CD2-CG 4.12Å; L242-F256 HydrophobicContact CD2-CZ 3.64Å; L242-F256 HydrophobicContact CG-CE2 4.5Å; L242-F256 HydrophobicContact CG-CZ 4.25Å; L242-L281 HydrophobicContact CB-CD1 3.84Å; L242-L281 HydrophobicContact CB-CD2 3.87Å; L242-L281 HydrophobicContact CD1-CD1 4.09Å
243E98.2Very high97.8Very high63 Ų6357.2 Ų57.229%0.29429%0.285SS..Hα-helixtrans-62.1-43.9175.8-174-171.8170.800111L239 Q240 A246 K247 L281L239-E243 WeakPolarHBondContact O-CB 3.47Å; L239-E243 PolarHBondContact O-N 2.9Å; Q240-E243 PolarHBondContact O-N 3.14Å; E243-A246 WeakPolarHBondContact O-CB 3.24Å; E243-A246 PolarHBondContact O-N 3.24Å; E243-K247 WeakPolarHBondContact O-CG 3.43Å; E243-K247 PolarHBondContact O-N 3.5Å; E243-K247 VanDerWaalsContact O-N 3.17Å; E243-K247 WeakPolarHBondContact OE1-CE 3.3Å; E243-K247 IonicContact OE1-NZ 3.3Å; E243-K247 PolarHBondContact OE1-NZ 3.03Å; E243-L281 HydrophobicContact CB-CD2 4.15Å
244K98.1Very high97.8Very high131 Ų13157.2 Ų57.257%0.5728%0.28SS*.Hα-helixtrans-62.1-44.6174.1-176.5178.8176.1-174.80111.3Q240 L242 A246 K247 D248Q240-K244 WeakPolarHBondContact O-CB 3.28Å; Q240-K244 PolarHBondContact O-N 3.15Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 3.17Å; K244-A246 VanDerWaalsContact C-N 3.29Å; K244-A246 PolarHBondContact O-N 2.94Å; K244-K247 PolarHBondContact O-N 3.45Å; K244-K247 VanDerWaalsContact O-N 3.15Å; K244-D248 WeakPolarHBondContact CE-OD2 3.22Å; K244-D248 VanDerWaalsContact CG-OD2 3.22Å; K244-D248 WeakPolarHBondContact CG-OD2 2.87Å; K244-D248 WeakPolarHBondContact O-CB 3.4Å; K244-D248 PolarHBondContact O-N 3.16Å
245L98.1Very high97.8Very high12 Ų1259.7 Ų59.76%0.06330%0.295CS..Hα-helixtrans-57.8-43.4176.8-175.567.6000111.4T144 M241 L242 K247 D249 K252 Y253 F256T144-L245 HydrophobicContact CG2-CD2 4.04Å; M241-L245 WeakPolarHBondContact O-CB 3.28Å; M241-L245 PolarHBondContact O-N 3.47Å; L242-L245 WeakPolarHBondContact O-CB 3.33Å; L242-L245 PolarHBondContact O-N 3.38Å; L245-K247 VanDerWaalsContact C-N 3.3Å; L245-K247 PolarHBondContact O-N 3.33Å; L245-D249 CarbonylContact O-C 3.59Å; L245-D249 PolarHBondContact O-N 3.18Å; L245-D249 VanDerWaalsContact O-O 3.1Å; L245-K252 HydrophobicContact CD1-CB 4.17Å; L245-K252 HydrophobicContact CD1-CD 3.82Å; L245-K252 HydrophobicContact CD1-CG 3.94Å; L245-Y253 HydrophobicContact CB-CD2 4.17Å; L245-Y253 HydrophobicContact CD2-CD2 4.13Å; L245-Y253 HydrophobicContact CG-CD2 4.09Å; L245-F256 HydrophobicContact CD2-CB 4.35Å
246A98Very high97.9Very high21 Ų2159.6 Ų59.617%0.17429%0.294CS..Hα-helixtrans-60.7-36176.900000113.6L242 E243 K244 Y253L242-A246 PolarHBondContact O-N 2.91Å; E243-A246 WeakPolarHBondContact O-CB 3.24Å; E243-A246 PolarHBondContact O-N 3.24Å; K244-A246 VanDerWaalsContact C-N 3.29Å; K244-A246 PolarHBondContact O-N 2.94Å; A246-Y253 VanDerWaalsContact CA-CD2 3.49Å; A246-Y253 HydrophobicContact CB-CD1 4.12Å; A246-Y253 HydrophobicContact CB-CD2 3.55Å; A246-Y253 HydrophobicContact CB-CE1 4.23Å; A246-Y253 HydrophobicContact CB-CE2 3.68Å; A246-Y253 HydrophobicContact CB-CG 3.76Å
247K97Very high97.9Very high135 Ų13554.3 Ų54.359%0.58727%0.271SS*.Hα-helixtrans-81.5-39.3-178.8-69.8177.4-173.2174.10112.8E243 K244 L245E243-K247 WeakPolarHBondContact O-CG 3.43Å; E243-K247 PolarHBondContact O-N 3.5Å; E243-K247 VanDerWaalsContact O-N 3.17Å; E243-K247 WeakPolarHBondContact OE1-CE 3.3Å; E243-K247 IonicContact OE1-NZ 3.3Å; E243-K247 PolarHBondContact OE1-NZ 3.03Å; K244-K247 PolarHBondContact O-N 3.45Å; K244-K247 VanDerWaalsContact O-N 3.15Å; L245-K247 VanDerWaalsContact C-N 3.3Å; L245-K247 PolarHBondContact O-N 3.33Å
248D97.4Very high97.9Very high115 Ų11556.7 Ų56.762%0.61529%0.286SS*.Hα-helixtrans-87.2-31.7-172-67.1-5.8000112.5K244K244-D248 WeakPolarHBondContact CE-OD2 3.22Å; K244-D248 VanDerWaalsContact CG-OD2 3.22Å; K244-D248 WeakPolarHBondContact CG-OD2 2.87Å; K244-D248 WeakPolarHBondContact O-CB 3.4Å; K244-D248 PolarHBondContact O-N 3.16Å
249D97.2Very high97.8Very high64 Ų6459.5 Ų59.534%0.34230%0.299SS..  trans-150.589.6-174.1-171.2-21.6000111.7L245 E251 K252 Y253L245-D249 CarbonylContact O-C 3.59Å; L245-D249 PolarHBondContact O-N 3.18Å; L245-D249 VanDerWaalsContact O-O 3.1Å; D249-E251 VanDerWaalsContact C-N 3.34Å; D249-E251 PolarHBondContact O-N 3.11Å; D249-E251 PolarHBondContact OD1-N 3.03Å; D249-K252 HydrophobicContact CB-CB 3.95Å; D249-K252 PolarHBondContact O-N 3.31Å; D249-K252 VanDerWaalsContact OD1-CB 3.28Å; D249-K252 WeakPolarHBondContact OD1-CB 3.47Å; D249-K252 PolarHBondContact OD1-N 3.07Å; D249-K252 VanDerWaalsContact OD2-CB 3.32Å; D249-K252 WeakPolarHBondContact OD2-CB 3.45Å; D249-K252 WeakPolarHBondContact OD2-CD 3.39Å; D249-Y253 WeakPolarHBondContact O-CB 3.17Å; D249-Y253 PolarHBondContact O-N 3.48Å
250A95.8Very high97.7Very high73 Ų7359.2 Ų59.260%0.60330%0.297SS*.Hα-helixtrans-63.6-34.4-17700000113.4Y253 Q254A250-Y253 PolarHBondContact O-N 3.09Å; A250-Q254 WeakPolarHBondContact O-CB 3.5Å; A250-Q254 PolarHBondContact O-N 3.18Å
251E96.8Very high97.7Very high164 Ų16454.7 Ų54.777%0.76628%0.276SS*.Hα-helixtrans-69-42.6179.6-66.9-174.9175.700111D249 Y253 Q254 T255D249-E251 VanDerWaalsContact C-N 3.34Å; D249-E251 PolarHBondContact O-N 3.11Å; D249-E251 PolarHBondContact OD1-N 3.03Å; E251-Y253 VanDerWaalsContact C-N 3.35Å; E251-Q254 WeakPolarHBondContact O-CB 3.33Å; E251-Q254 PolarHBondContact O-N 3.3Å; E251-T255 PolarHBondContact O-N 2.71Å; E251-T255 PolarHBondContact O-OG1 2.84Å
252K97.4Very high97.6Very high67 Ų6757.6 Ų57.629%0.29129%0.292SS..Hα-helixtrans-69-36.4176.7-162.9170.7-174.4-174.90112.2L143 L245 D249 Q254 T255 F256L143-K252 HydrophobicContact CB-CG 4.45Å; L143-K252 HydrophobicContact CD2-CG 3.77Å; L143-K252 WeakPolarHBondContact O-CE 3.43Å; L143-K252 PolarHBondContact O-NZ 2.9Å; L245-K252 HydrophobicContact CD1-CB 4.17Å; L245-K252 HydrophobicContact CD1-CD 3.82Å; L245-K252 HydrophobicContact CD1-CG 3.94Å; D249-K252 HydrophobicContact CB-CB 3.95Å; D249-K252 PolarHBondContact O-N 3.31Å; D249-K252 VanDerWaalsContact OD1-CB 3.28Å; D249-K252 WeakPolarHBondContact OD1-CB 3.47Å; D249-K252 PolarHBondContact OD1-N 3.07Å; D249-K252 VanDerWaalsContact OD2-CB 3.32Å; D249-K252 WeakPolarHBondContact OD2-CB 3.45Å; D249-K252 WeakPolarHBondContact OD2-CD 3.39Å; K252-Q254 VanDerWaalsContact C-N 3.33Å; K252-T255 WeakPolarHBondContact O-CB 3.42Å; K252-T255 PolarHBondContact O-N 3.17Å; K252-F256 PolarHBondContact O-N 3.29Å
253Y98.5Very high97.5Very high2 Ų257.6 Ų57.61%0.00829%0.292CS..Hα-helixtrans-64.6-38.5170.4-166.9-95.5000112.4L242 L245 A246 D249 A250 E251 T255 F256 W257 L281 R283L242-Y253 HydrophobicContact CB-CE2 4.38Å; L242-Y253 WeakPolarHBondContact O-CE2 3.17Å; L245-Y253 HydrophobicContact CB-CD2 4.17Å; L245-Y253 HydrophobicContact CD2-CD2 4.13Å; L245-Y253 HydrophobicContact CG-CD2 4.09Å; A246-Y253 VanDerWaalsContact CA-CD2 3.49Å; A246-Y253 HydrophobicContact CB-CD1 4.12Å; A246-Y253 HydrophobicContact CB-CD2 3.55Å; A246-Y253 HydrophobicContact CB-CE1 4.23Å; A246-Y253 HydrophobicContact CB-CE2 3.68Å; A246-Y253 HydrophobicContact CB-CG 3.76Å; D249-Y253 WeakPolarHBondContact O-CB 3.17Å; D249-Y253 PolarHBondContact O-N 3.48Å; A250-Y253 PolarHBondContact O-N 3.09Å; E251-Y253 VanDerWaalsContact C-N 3.35Å; Y253-T255 VanDerWaalsContact C-N 3.28Å; Y253-T255 PolarHBondContact O-N 3.43Å; Y253-F256 HydrophobicContact CD2-CD1 4.11Å; Y253-F256 HydrophobicContact CE1-CD1 4.44Å; Y253-F256 AromaticContact CE2-CD1 3.71Å; Y253-F256 HydrophobicContact CE2-CD1 3.71Å; Y253-F256 HydrophobicContact CE2-CE1 4.03Å; Y253-F256 AromaticContact CZ-CD1 3.91Å; Y253-F256 WeakPolarHBondContact O-CB 3.49Å; Y253-F256 PolarHBondContact O-N 3.04Å; Y253-W257 PolarHBondContact O-N 3.2Å; Y253-L281 HydrophobicContact CE2-CD2 4.22Å; Y253-L281 WeakPolarHBondContact OH-CA 3.39Å; Y253-L281 WeakPolarHBondContact OH-CB 3.32Å; Y253-L281 WeakPolarHBondContact OH-CD2 3.39Å; Y253-L281 PolarHBondContact OH-O 2.97Å; Y253-R283 HydrophobicContact CE1-CG 4.03Å
254Q98Very high97.5Very high35 Ų3554.6 Ų54.616%0.16428%0.278CS..Hα-helixtrans-62.9-38.4174.9-169.561.230.300111.5A250 E251 K252 W257 Q258 Q294A250-Q254 WeakPolarHBondContact O-CB 3.5Å; A250-Q254 PolarHBondContact O-N 3.18Å; E251-Q254 WeakPolarHBondContact O-CB 3.33Å; E251-Q254 PolarHBondContact O-N 3.3Å; K252-Q254 VanDerWaalsContact C-N 3.33Å; Q254-W257 PolarHBondContact O-N 3.38Å; Q254-Q258 WeakPolarHBondContact O-CG 3.24Å; Q254-Q258 PolarHBondContact O-N 2.98Å; Q254-Q294 PolarHBondContact NE2-O 3.48Å; Q254-Q294 PolarHBondContact OE1-O 2.77Å
255T98Very high97.5Very high52 Ų5248.4 Ų48.432%0.31925%0.251SS..Hα-helixtrans-61.1-46.6172.5-56.10000111.1L143 E251 K252 Y253 W257 Q258 Q259L143-T255 HydrophobicContact CD1-CG2 4.44Å; L143-T255 HydrophobicContact CD2-CG2 4.02Å; E251-T255 PolarHBondContact O-N 2.71Å; E251-T255 PolarHBondContact O-OG1 2.84Å; K252-T255 WeakPolarHBondContact O-CB 3.42Å; K252-T255 PolarHBondContact O-N 3.17Å; Y253-T255 VanDerWaalsContact C-N 3.28Å; Y253-T255 PolarHBondContact O-N 3.43Å; T255-W257 VanDerWaalsContact C-N 3.34Å; T255-W257 PolarHBondContact O-N 3.36Å; T255-Q258 PolarHBondContact O-N 2.97Å; T255-Q259 WeakPolarHBondContact O-CG 3.39Å; T255-Q259 PolarHBondContact O-N 3.15Å
256F98.5Very high97.5Very high0 Ų049.1 Ų49.10%025%0.254CS..Hα-helixtrans-54.9-49.4172.4160.8-98.2000111.6L143 I162 F202 L242 L245 K252 Y253 Q258 Q259 F260 L264L143-F256 HydrophobicContact CD1-CB 3.75Å; I162-F256 HydrophobicContact CG2-CD2 3.69Å; I162-F256 HydrophobicContact CG2-CE2 4.19Å; F202-F256 AromaticContact CE2-CE2 3.72Å; F202-F256 HydrophobicContact CE2-CE2 3.72Å; F202-F256 HydrophobicContact CE2-CZ 4.39Å; F202-F256 AromaticContact CZ-CE2 3.76Å; F202-F256 HydrophobicContact CZ-CE2 3.76Å; F202-F256 HydrophobicContact CZ-CZ 4.02Å; L242-F256 HydrophobicContact CD1-CE1 4.23Å; L242-F256 HydrophobicContact CD1-CE2 4.11Å; L242-F256 HydrophobicContact CD1-CZ 3.62Å; L242-F256 HydrophobicContact CD2-CD1 4.19Å; L242-F256 HydrophobicContact CD2-CD2 3.79Å; L242-F256 HydrophobicContact CD2-CE1 3.96Å; L242-F256 HydrophobicContact CD2-CE2 3.54Å; L242-F256 HydrophobicContact CD2-CG 4.12Å; L242-F256 HydrophobicContact CD2-CZ 3.64Å; L242-F256 HydrophobicContact CG-CE2 4.5Å; L242-F256 HydrophobicContact CG-CZ 4.25Å; L245-F256 HydrophobicContact CD2-CB 4.35Å; K252-F256 PolarHBondContact O-N 3.29Å; Y253-F256 HydrophobicContact CD2-CD1 4.11Å; Y253-F256 HydrophobicContact CE1-CD1 4.44Å; Y253-F256 AromaticContact CE2-CD1 3.71Å; Y253-F256 HydrophobicContact CE2-CD1 3.71Å; Y253-F256 HydrophobicContact CE2-CE1 4.03Å; Y253-F256 AromaticContact CZ-CD1 3.91Å; Y253-F256 WeakPolarHBondContact O-CB 3.49Å; Y253-F256 PolarHBondContact O-N 3.04Å; F256-Q258 VanDerWaalsContact C-N 3.34Å; F256-Q258 PolarHBondContact O-N 3.23Å; F256-Q259 PolarHBondContact O-N 2.85Å; F256-Q259 VanDerWaalsContact O-N 3.14Å; F256-F260 HydrophobicContact CD2-CB 4.22Å; F256-F260 AromaticContact CD2-CD2 3.44Å; F256-F260 HydrophobicContact CD2-CD2 3.44Å; F256-F260 VanDerWaalsContact CD2-CD2 3.44Å; F256-F260 HydrophobicContact CD2-CE2 4.24Å; F256-F260 HydrophobicContact CD2-CG 4.23Å; F256-F260 HydrophobicContact CE2-CB 3.78Å; F256-F260 AromaticContact CE2-CD2 3.76Å; F256-F260 HydrophobicContact CE2-CD2 3.76Å; F256-F260 HydrophobicContact CE2-CG 4.1Å; F256-F260 HydrophobicContact CG-CD2 4.34Å; F256-F260 HydrophobicContact CZ-CB 4.26Å; F256-F260 WeakPolarHBondContact O-CD2 2.94Å; F256-F260 PolarHBondContact O-N 3.17Å; F256-L264 HydrophobicContact CE1-CD2 3.95Å; F256-L264 HydrophobicContact CZ-CD2 4.01Å
257W98.5Very high97.5Very high8 Ų848.1 Ų48.13%0.0325%0.245CC..Hα-helixtrans-60.9-42.1-177.5-178.2-100.5000112.2Y253 Q254 T255 Q259 G261 L264 K265 L281 L282 R283 Q294Y253-W257 PolarHBondContact O-N 3.2Å; Q254-W257 PolarHBondContact O-N 3.38Å; T255-W257 VanDerWaalsContact C-N 3.34Å; T255-W257 PolarHBondContact O-N 3.36Å; W257-Q259 VanDerWaalsContact C-N 3.27Å; W257-Q259 PolarHBondContact O-N 3.31Å; W257-G261 WeakPolarHBondContact O-CA 3.17Å; W257-G261 PolarHBondContact O-N 2.84Å; W257-L264 HydrophobicContact CZ3-CD2 4.08Å; W257-K265 HydrophobicContact CH2-CG 4.09Å; W257-L281 WeakPolarHBondContact CZ3-O 3.4Å; W257-L282 HydrophobicContact CH2-CB 4.15Å; W257-L282 HydrophobicContact CH2-CD2 3.81Å; W257-L282 HydrophobicContact CZ3-CB 4.43Å; W257-L282 HydrophobicContact CZ3-CD2 3.96Å; W257-R283 HydrophobicContact CB-CG 4.5Å; W257-R283 HydrophobicContact CD2-CB 3.69Å; W257-R283 HydrophobicContact CD2-CG 3.9Å; W257-R283 HydrophobicContact CE3-CB 4.26Å; W257-R283 HydrophobicContact CE3-CG 4.2Å; W257-R283 HydrophobicContact CG-CB 3.91Å; W257-R283 HydrophobicContact CG-CG 3.99Å; W257-R283 VanDerWaalsContact CH2-N 3.25Å; W257-R283 HydrophobicContact CZ2-CB 4.09Å; W257-R283 WeakPolarHBondContact CZ2-O 3.29Å; W257-Q294 VanDerWaalsContact NE1-CB 3.33Å
258Q97.1Very high97.5Very high132 Ų13241.7 Ų41.762%0.61722%0.217SC*.Hα-helixtrans-62.7-33177.2-73.8174.1-6.700113.1Q254 T255 F256Q254-Q258 WeakPolarHBondContact O-CG 3.24Å; Q254-Q258 PolarHBondContact O-N 2.98Å; T255-Q258 PolarHBondContact O-N 2.97Å; F256-Q258 VanDerWaalsContact C-N 3.34Å; F256-Q258 PolarHBondContact O-N 3.23Å
259Q97Very high97.4Very high59 Ų5936.8 Ų36.828%0.27619%0.193SC..Hα-helixtrans-86.4-37.9-177.9-63.9-60.7-4700112.8A166 T255 F256 W257A166-Q259 HydrophobicContact CB-CB 4.34Å; T255-Q259 WeakPolarHBondContact O-CG 3.39Å; T255-Q259 PolarHBondContact O-N 3.15Å; F256-Q259 PolarHBondContact O-N 2.85Å; F256-Q259 VanDerWaalsContact O-N 3.14Å; W257-Q259 VanDerWaalsContact C-N 3.27Å; W257-Q259 PolarHBondContact O-N 3.31Å
260F97.9Very high97.4Very high1 Ų137.7 Ų37.70%0.00420%0.195CC..Hα-helixtrans-126.6-2.1-167.2-49.5-71.9000114.3I162 P163 A166 M170 F202 F256 L262 V263 L264I162-F260 HydrophobicContact CG2-CD2 4.48Å; I162-F260 HydrophobicContact CG2-CE2 4.19Å; P163-F260 HydrophobicContact CB-CZ 4.01Å; P163-F260 HydrophobicContact CG-CZ 4.44Å; P163-F260 VanDerWaalsContact O-CE2 3.23Å; P163-F260 WeakPolarHBondContact O-CE2 3.42Å; A166-F260 HydrophobicContact CB-CD1 4.33Å; A166-F260 HydrophobicContact CB-CE1 3.85Å; A166-F260 HydrophobicContact CB-CZ 4.45Å; M170-F260 HydrophobicContact CE-CD1 3.65Å; M170-F260 HydrophobicContact CE-CE1 3.53Å; M170-F260 HydrophobicContact SD-CD1 4.23Å; F202-F260 HydrophobicContact CB-CD1 3.4Å; F202-F260 VanDerWaalsContact CB-CD1 3.4Å; F202-F260 HydrophobicContact CB-CE1 3.54Å; F202-F260 HydrophobicContact CB-CG 4.25Å; F202-F260 HydrophobicContact CB-CZ 4.49Å; F202-F260 HydrophobicContact CD1-CB 3.85Å; F202-F260 AromaticContact CD1-CD1 3.83Å; F202-F260 HydrophobicContact CD1-CD1 3.83Å; F202-F260 HydrophobicContact CD1-CG 4.04Å; F202-F260 HydrophobicContact CD2-CD1 4.17Å; F202-F260 HydrophobicContact CD2-CG 4.2Å; F202-F260 HydrophobicContact CE1-CB 3.88Å; F202-F260 HydrophobicContact CE1-CG 4.45Å; F202-F260 HydrophobicContact CG-CB 4.22Å; F202-F260 AromaticContact CG-CD1 3.54Å; F202-F260 HydrophobicContact CG-CD1 3.54Å; F202-F260 HydrophobicContact CG-CE1 4.08Å; F202-F260 AromaticContact CG-CG 3.9Å; F202-F260 HydrophobicContact CG-CG 3.9Å; F202-F260 HydrophobicContact CZ-CB 4.29Å; F256-F260 HydrophobicContact CD2-CB 4.22Å; F256-F260 AromaticContact CD2-CD2 3.44Å; F256-F260 HydrophobicContact CD2-CD2 3.44Å; F256-F260 VanDerWaalsContact CD2-CD2 3.44Å; F256-F260 HydrophobicContact CD2-CE2 4.24Å; F256-F260 HydrophobicContact CD2-CG 4.23Å; F256-F260 HydrophobicContact CE2-CB 3.78Å; F256-F260 AromaticContact CE2-CD2 3.76Å; F256-F260 HydrophobicContact CE2-CD2 3.76Å; F256-F260 HydrophobicContact CE2-CG 4.1Å; F256-F260 HydrophobicContact CG-CD2 4.34Å; F256-F260 HydrophobicContact CZ-CB 4.26Å; F256-F260 WeakPolarHBondContact O-CD2 2.94Å; F256-F260 PolarHBondContact O-N 3.17Å; F260-L262 VanDerWaalsContact C-N 3.32Å; F260-L262 PolarHBondContact O-N 3.31Å; F260-V263 WeakPolarHBondContact O-CB 3.42Å; F260-V263 PolarHBondContact O-N 3.21Å; F260-L264 PolarHBondContact O-N 3.03Å
261G97.8Very high97.5Very high1 Ų135.4 Ų35.41%0.0117%0.173CC..Hα-helixtrans-57.1-42.6-176.600000112.9W257 V263 L264 K265W257-G261 WeakPolarHBondContact O-CA 3.17Å; W257-G261 PolarHBondContact O-N 2.84Å; G261-V263 VanDerWaalsContact C-N 3.28Å; G261-V263 PolarHBondContact O-N 3.19Å; G261-L264 PolarHBondContact O-N 3.28Å; G261-K265 VanDerWaalsContact O-CG 3.31Å; G261-K265 WeakPolarHBondContact O-CG 3.28Å; G261-K265 PolarHBondContact O-N 3.36Å
262L96.4Very high97.4Very high75 Ų7534 Ų3439%0.39316%0.164SC..Hα-helixtrans-58.3-38.5175.3-71.1179.9000113W171 F260 D344 I346W171-L262 HydrophobicContact CH2-CB 3.62Å; W171-L262 HydrophobicContact CH2-CD1 4.25Å; W171-L262 HydrophobicContact CZ2-CB 4.26Å; W171-L262 HydrophobicContact CZ2-CD1 4.29Å; F260-L262 VanDerWaalsContact C-N 3.32Å; F260-L262 PolarHBondContact O-N 3.31Å; L262-D344 HydrophobicContact CD2-CB 3.65Å; L262-D344 VanDerWaalsContact CD2-CG 3.44Å; L262-I346 HydrophobicContact CD2-CG2 4.24Å; L262-I346 WeakPolarHBondContact O-CD1 3.46Å
263V96.2Very high97.4Very high0 Ų035.1 Ų35.10%019%0.186CC..Hα-helixtrans-73.7-41.7176.7176.70000110.9M170 W171 Y199 R201 F202 F260 G261 K265 E266M170-V263 HydrophobicContact CG-CG2 4.49Å; M170-V263 HydrophobicContact SD-CG2 3.59Å; M170-V263 VanDerWaalsContact SD-CG2 3.59Å; W171-V263 HydrophobicContact CH2-CG2 3.33Å; W171-V263 HydrophobicContact CZ2-CG2 4.04Å; W171-V263 HydrophobicContact CZ3-CG2 3.72Å; Y199-V263 WeakPolarHBondContact O-CG1 3.37Å; R201-V263 HydrophobicContact CG-CG1 4.22Å; R201-V263 VanDerWaalsContact NH1-CG1 3.26Å; R201-V263 VanDerWaalsContact NH2-CG2 3.29Å; F202-V263 HydrophobicContact CD1-CB 4.3Å; F202-V263 HydrophobicContact CD1-CG1 3.95Å; F202-V263 HydrophobicContact CE1-CB 4.43Å; F202-V263 HydrophobicContact CE1-CG1 4.1Å; F260-V263 WeakPolarHBondContact O-CB 3.42Å; F260-V263 PolarHBondContact O-N 3.21Å; G261-V263 VanDerWaalsContact C-N 3.28Å; G261-V263 PolarHBondContact O-N 3.19Å; V263-K265 PolarHBondContact O-N 2.91Å; V263-E266 VanDerWaalsContact O-CB 3.26Å; V263-E266 WeakPolarHBondContact O-CB 3.44Å; V263-E266 WeakPolarHBondContact O-CG 3.35Å; V263-E266 PolarHBondContact O-N 3.5Å
264L98.1Very high97.3Very high0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-63.3-30.8179.6-168.369000112.1Y199 L200 F256 W257 F260 G261 E266 G267 L281Y199-L264 HydrophobicContact CD2-CD1 4.02Å; Y199-L264 HydrophobicContact CE2-CD1 4.36Å; L200-L264 HydrophobicContact CD2-CD1 4.05Å; F256-L264 HydrophobicContact CE1-CD2 3.95Å; F256-L264 HydrophobicContact CZ-CD2 4.01Å; W257-L264 HydrophobicContact CZ3-CD2 4.08Å; F260-L264 PolarHBondContact O-N 3.03Å; G261-L264 PolarHBondContact O-N 3.28Å; L264-E266 PolarHBondContact O-N 3.35Å; L264-E266 VanDerWaalsContact O-N 3.15Å; L264-G267 PolarHBondContact O-N 2.83Å; L264-L281 HydrophobicContact CD2-CB 3.75Å
265K98.1Very high97.3Very high1 Ų135.8 Ų35.80%0.00419%0.19CC..THydrogen-bonded Turntrans-62-13173-74.4-178.6-179.8-174.20114W257 G261 V263 G267 P268 L282 D344 I346 D347 M350W257-K265 HydrophobicContact CH2-CG 4.09Å; G261-K265 VanDerWaalsContact O-CG 3.31Å; G261-K265 WeakPolarHBondContact O-CG 3.28Å; G261-K265 PolarHBondContact O-N 3.36Å; V263-K265 PolarHBondContact O-N 2.91Å; K265-G267 VanDerWaalsContact C-N 3.29Å; K265-P268 WeakPolarHBondContact O-CD 3.38Å; K265-L282 HydrophobicContact CG-CD2 4.1Å; K265-D344 IonicContact NZ-OD2 2.66Å; K265-D344 PolarHBondContact NZ-OD2 2.79Å; K265-I346 HydrophobicContact CB-CD1 3.94Å; K265-I346 HydrophobicContact CB-CG1 4.37Å; K265-I346 HydrophobicContact CB-CG2 3.83Å; K265-I346 HydrophobicContact CD-CG2 3.61Å; K265-I346 HydrophobicContact CG-CG2 4.37Å; K265-D347 VanDerWaalsContact CD-OD1 3.3Å; K265-D347 WeakPolarHBondContact CD-OD1 3.47Å; K265-D347 WeakPolarHBondContact CE-OD1 3.37Å; K265-D347 IonicContact NZ-OD1 2.85Å; K265-D347 PolarHBondContact NZ-OD1 2.92Å; K265-D347 IonicContact NZ-OD2 3.67Å; K265-M350 HydrophobicContact CB-SD 3.74Å; K265-M350 HydrophobicContact CD-SD 4.16Å; K265-M350 HydrophobicContact CG-SD 3.62Å; K265-M350 WeakPolarHBondContact O-CG 3.48Å
266E97.1Very high97.2Very high26 Ų2639.2 Ų39.212%0.12120%0.203CC..THydrogen-bonded Turntrans-73.5-24.7170.7-59.6167.2-160.800112.3N198 R201 V263 L264 A269 E270 I346 W349N198-E266 PolarHBondContact ND2-OE2 2.96Å; R201-E266 IonicContact CZ-OE1 3.54Å; R201-E266 IonicContact CZ-OE2 2.78Å; R201-E266 IonicContact NH1-OE1 3.25Å; R201-E266 PolarHBondContact NH1-OE1 2.68Å; R201-E266 IonicContact NH1-OE2 2.66Å; R201-E266 PolarHBondContact NH1-OE2 3.29Å; R201-E266 IonicContact NH2-OE1 3.48Å; R201-E266 PolarHBondContact NH2-OE1 2.67Å; R201-E266 IonicContact NH2-OE2 3.61Å; V263-E266 VanDerWaalsContact O-CB 3.26Å; V263-E266 WeakPolarHBondContact O-CB 3.44Å; V263-E266 WeakPolarHBondContact O-CG 3.35Å; V263-E266 PolarHBondContact O-N 3.5Å; L264-E266 PolarHBondContact O-N 3.35Å; L264-E266 VanDerWaalsContact O-N 3.15Å; E266-A269 PolarHBondContact O-N 2.8Å; E266-E270 PolarHBondContact O-N 2.77Å; E266-I346 HydrophobicContact CB-CD1 4.32Å; E266-I346 HydrophobicContact CG-CD1 3.4Å; E266-W349 HydrophobicContact CB-CZ3 4.33Å; E266-W349 HydrophobicContact CG-CZ3 4.36Å
267G97.9Very high97.2Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-56.8-44.6-17300000115.8Y199 L264 K265 A269 E270 D271Y199-G267 VanDerWaalsContact CG-CA 3.48Å; L264-G267 PolarHBondContact O-N 2.83Å; K265-G267 VanDerWaalsContact C-N 3.29Å; G267-A269 PolarHBondContact O-N 3.02Å; G267-A269 VanDerWaalsContact O-N 3.16Å; G267-E270 PolarHBondContact O-N 2.71Å; G267-D271 PolarHBondContact O-N 2.97Å
268P97.8Very high97.2Very high0 Ų040.6 Ų40.60%022%0.215CC..Hα-helixtrans-58.5-29.2-179.5-27.837.8000114.7K265 Q275 I278 L282 M350 L354K265-P268 WeakPolarHBondContact O-CD 3.38Å; P268-Q275 HydrophobicContact CB-CG 4.22Å; P268-Q275 PolarHBondContact O-NE2 3.15Å; P268-I278 HydrophobicContact CG-CG2 4.07Å; P268-L282 HydrophobicContact CG-CD1 4.32Å; P268-M350 HydrophobicContact CB-CG 4.36Å; P268-M350 HydrophobicContact CG-CG 3.99Å; P268-M350 HydrophobicContact CG-SD 4.44Å; P268-L354 HydrophobicContact CB-CB 4.22Å
269A96Very high97.3Very high13 Ų1334.3 Ų34.311%0.10719%0.186CC..Hα-helixtrans-88.2-33.5178.500000113E266 G267 F272 W349 Y353E266-A269 PolarHBondContact O-N 2.8Å; G267-A269 PolarHBondContact O-N 3.02Å; G267-A269 VanDerWaalsContact O-N 3.16Å; A269-F272 WeakPolarHBondContact O-CE2 3.34Å; A269-W349 HydrophobicContact CB-CH2 3.38Å; A269-W349 HydrophobicContact CB-CZ2 3.45Å; A269-W349 VanDerWaalsContact CB-CZ2 3.45Å; A269-W349 HydrophobicContact CB-CZ3 3.99Å; A269-Y353 HydrophobicContact CB-CD1 3.84Å; A269-Y353 HydrophobicContact CB-CD2 3.38Å; A269-Y353 HydrophobicContact CB-CE1 4.08Å; A269-Y353 HydrophobicContact CB-CE2 3.68Å; A269-Y353 HydrophobicContact CB-CG 3.47Å; A269-Y353 VanDerWaalsContact CB-CG 3.47Å
270E96.6Very high97.3Very high82 Ų8234.1 Ų34.138%0.38319%0.185SC..Hα-helixtrans-85.6-29.8-176.7-68.6-172.3174.200113.8N198 Y199 E266 G267N198-E270 WeakPolarHBondContact CB-OE2 3.08Å; N198-E270 PolarHBondContact ND2-OE1 3.02Å; Y199-E270 HydrophobicContact CD1-CB 4.24Å; Y199-E270 PolarHBondContact N-OE2 2.82Å; E266-E270 PolarHBondContact O-N 2.77Å; G267-E270 PolarHBondContact O-N 2.71Å
271D97.2Very high97.3Very high25 Ų2534.2 Ų34.213%0.13419%0.185CC..  trans-137.972.8-168.3-171.53000112.9Y199 G267 A273 N274 Q275 I278Y199-D271 HydrophobicContact CD1-CB 4.33Å; Y199-D271 HydrophobicContact CE1-CB 3.47Å; Y199-D271 VanDerWaalsContact CE1-CB 3.47Å; Y199-D271 PolarHBondContact OH-OD2 2.81Å; G267-D271 PolarHBondContact O-N 2.97Å; D271-A273 PolarHBondContact O-N 2.95Å; D271-A273 VanDerWaalsContact O-N 3.12Å; D271-A273 PolarHBondContact OD1-N 3.09Å; D271-N274 VanDerWaalsContact CG-ND2 3.34Å; D271-N274 CarbonylContact O-C 3.56Å; D271-N274 PolarHBondContact O-N 2.81Å; D271-N274 PolarHBondContact OD1-N 2.89Å; D271-N274 PolarHBondContact OD1-ND2 3.1Å; D271-N274 PolarHBondContact OD2-ND2 3.41Å; D271-Q275 PolarHBondContact O-N 3.41Å; D271-Q275 VanDerWaalsContact O-N 3.1Å; D271-I278 HydrophobicContact CB-CD1 4.13Å
272F95.8Very high97.4Very high134 Ų13434.2 Ų34.259%0.58819%0.185SC*.G310 helixtrans-52.9-32.2175.8-63.8-79.7000113.5A269 N274 Q275 Y353A269-F272 WeakPolarHBondContact O-CE2 3.34Å; F272-N274 VanDerWaalsContact C-N 3.25Å; F272-N274 PolarHBondContact O-N 3.27Å; F272-Q275 WeakPolarHBondContact O-CB 3.41Å; F272-Q275 PolarHBondContact O-N 3.41Å; F272-Y353 HydrophobicContact CE1-CD1 4.02Å; F272-Y353 AromaticContact CZ-CD1 3.75Å; F272-Y353 HydrophobicContact CZ-CD1 3.75Å; F272-Y353 HydrophobicContact CZ-CE1 4.2Å
273A96.3Very high97.5Very high91 Ų9131.8 Ų31.875%0.75217%0.17SC*.G310 helixtrans-69.3-23.8-177.800000113D271D271-A273 PolarHBondContact O-N 2.95Å; D271-A273 VanDerWaalsContact O-N 3.12Å; D271-A273 PolarHBondContact OD1-N 3.09Å
274N97.7Very high97.6Very high18 Ų1831.9 Ų31.910%0.09617%0.171CC..G310 helixtrans-116.513.7176.6-60.6-68.1000112.6L239 D271 F272 E276 A277 I278L239-N274 HydrophobicContact CD1-CB 3.58Å; D271-N274 VanDerWaalsContact CG-ND2 3.34Å; D271-N274 CarbonylContact O-C 3.56Å; D271-N274 PolarHBondContact O-N 2.81Å; D271-N274 PolarHBondContact OD1-N 2.89Å; D271-N274 PolarHBondContact OD1-ND2 3.1Å; D271-N274 PolarHBondContact OD2-ND2 3.41Å; F272-N274 VanDerWaalsContact C-N 3.25Å; F272-N274 PolarHBondContact O-N 3.27Å; N274-E276 VanDerWaalsContact C-N 3.31Å; N274-E276 PolarHBondContact O-N 3.12Å; N274-A277 WeakPolarHBondContact O-CB 3.43Å; N274-A277 PolarHBondContact O-N 3.08Å; N274-I278 HydrophobicContact CB-CD1 4.13Å; N274-I278 HydrophobicContact CB-CG1 4.43Å; N274-I278 WeakPolarHBondContact O-CG1 3.34Å; N274-I278 PolarHBondContact O-N 3.4Å
275Q97.1Very high97.6Very high34 Ų3432 Ų3216%0.15917%0.172CC..Hα-helixtrans-53.6-43.8-173.3-173.3-179.586.700112.9P268 D271 F272 I278 A279 Y353 L354P268-Q275 HydrophobicContact CB-CG 4.22Å; P268-Q275 PolarHBondContact O-NE2 3.15Å; D271-Q275 PolarHBondContact O-N 3.41Å; D271-Q275 VanDerWaalsContact O-N 3.1Å; F272-Q275 WeakPolarHBondContact O-CB 3.41Å; F272-Q275 PolarHBondContact O-N 3.41Å; Q275-I278 PolarHBondContact O-N 3.36Å; Q275-A279 WeakPolarHBondContact O-CB 3.3Å; Q275-A279 PolarHBondContact O-N 2.93Å; Q275-Y353 PolarHBondContact NE2-O 3Å; Q275-L354 HydrophobicContact CG-CD1 4.45Å
276E96.5Very high97.6Very high124 Ų12432 Ų3258%0.57917%0.171SC*.Hα-helixtrans-63.9-42.8177.9-167-161.5144.900112.3N274 I278 A279 K280N274-E276 VanDerWaalsContact C-N 3.31Å; N274-E276 PolarHBondContact O-N 3.12Å; E276-I278 VanDerWaalsContact C-N 3.31Å; E276-I278 PolarHBondContact O-N 3.2Å; E276-A279 PolarHBondContact O-N 3.07Å; E276-K280 WeakPolarHBondContact O-CG 3.41Å; E276-K280 PolarHBondContact O-N 3.24Å; E276-K280 WeakPolarHBondContact OE1-CE 3.26Å; E276-K280 IonicContact OE1-NZ 2.8Å; E276-K280 PolarHBondContact OE1-NZ 3.06Å
277A98Very high97.6Very high36 Ų3632 Ų3230%0.29817%0.174SC..Hα-helixtrans-65.5-37.9177.700000111.3L239 N274 L281L239-A277 HydrophobicContact CD1-CB 4.18Å; N274-A277 WeakPolarHBondContact O-CB 3.43Å; N274-A277 PolarHBondContact O-N 3.08Å; A277-L281 WeakPolarHBondContact O-CG 3.48Å
278I98.5Very high97.5Very high0 Ų037.4 Ų37.40%020%0.199CC..Hα-helixtrans-66.7-43.5175-62.8160.5000110.1Y199 L239 P268 D271 N274 Q275 E276 K280 L281 L282Y199-I278 HydrophobicContact CE1-CD1 4.28Å; Y199-I278 HydrophobicContact CE2-CD1 3.81Å; Y199-I278 HydrophobicContact CE2-CG1 4.02Å; L239-I278 HydrophobicContact CD1-CG1 4.21Å; L239-I278 HydrophobicContact CD2-CG1 3.96Å; P268-I278 HydrophobicContact CG-CG2 4.07Å; D271-I278 HydrophobicContact CB-CD1 4.13Å; N274-I278 HydrophobicContact CB-CD1 4.13Å; N274-I278 HydrophobicContact CB-CG1 4.43Å; N274-I278 WeakPolarHBondContact O-CG1 3.34Å; N274-I278 PolarHBondContact O-N 3.4Å; Q275-I278 PolarHBondContact O-N 3.36Å; E276-I278 VanDerWaalsContact C-N 3.31Å; E276-I278 PolarHBondContact O-N 3.2Å; I278-K280 VanDerWaalsContact C-N 3.29Å; I278-K280 PolarHBondContact O-N 3.49Å; I278-L281 WeakPolarHBondContact O-CA 3.1Å; I278-L281 WeakPolarHBondContact O-CB 3.47Å; I278-L281 PolarHBondContact O-N 3.44Å; I278-L282 PolarHBondContact O-N 3.43Å
279A98.5Very high97.2Very high1 Ų139.8 Ų39.81%0.00821%0.213CC..Hα-helixtrans-57.1-39.9179.200000112.6Q275 E276 L281 L282 L298 L354 F357Q275-A279 WeakPolarHBondContact O-CB 3.3Å; Q275-A279 PolarHBondContact O-N 2.93Å; E276-A279 PolarHBondContact O-N 3.07Å; A279-L281 PolarHBondContact O-N 3.19Å; A279-L282 PolarHBondContact O-N 2.65Å; A279-L282 VanDerWaalsContact O-N 3.11Å; A279-L298 HydrophobicContact CB-CD1 3.96Å; A279-L298 WeakPolarHBondContact O-CD1 3.31Å; A279-L354 HydrophobicContact CB-CD1 3.78Å; A279-F357 HydrophobicContact CB-CD2 3.75Å; A279-F357 HydrophobicContact CB-CE2 4.13Å
280K98.1Very high96.7Very high55 Ų5543 Ų4324%0.23923%0.229CC..Hα-helixtrans-61.9-25.5175.3-67.6177.5-175.1168.10113.5E276 I278 R283 F357E276-K280 WeakPolarHBondContact O-CG 3.41Å; E276-K280 PolarHBondContact O-N 3.24Å; E276-K280 WeakPolarHBondContact OE1-CE 3.26Å; E276-K280 IonicContact OE1-NZ 2.8Å; E276-K280 PolarHBondContact OE1-NZ 3.06Å; I278-K280 VanDerWaalsContact C-N 3.29Å; I278-K280 PolarHBondContact O-N 3.49Å; K280-R283 PolarHBondContact O-NH1 3.36Å; K280-F357 HydrophobicContact CG-CE2 3.67Å; K280-F357 HydrophobicContact CG-CZ 3.99Å
281L98.6Very high96.7Very high3 Ų341.6 Ų41.62%0.01623%0.228CC..Hα-helixtrans-87.9-12.4179.3-61.5177.1000112.8L239 L242 E243 Y253 W257 L264 A277 I278 A279 R283L239-L281 HydrophobicContact CB-CD1 4.48Å; L239-L281 HydrophobicContact CD2-CD1 3.65Å; L242-L281 HydrophobicContact CB-CD1 3.84Å; L242-L281 HydrophobicContact CB-CD2 3.87Å; L242-L281 HydrophobicContact CD1-CD1 4.09Å; E243-L281 HydrophobicContact CB-CD2 4.15Å; Y253-L281 HydrophobicContact CE2-CD2 4.22Å; Y253-L281 WeakPolarHBondContact OH-CA 3.39Å; Y253-L281 WeakPolarHBondContact OH-CB 3.32Å; Y253-L281 WeakPolarHBondContact OH-CD2 3.39Å; Y253-L281 PolarHBondContact OH-O 2.97Å; W257-L281 WeakPolarHBondContact CZ3-O 3.4Å; L264-L281 HydrophobicContact CD2-CB 3.75Å; A277-L281 WeakPolarHBondContact O-CG 3.48Å; I278-L281 WeakPolarHBondContact O-CA 3.1Å; I278-L281 WeakPolarHBondContact O-CB 3.47Å; I278-L281 PolarHBondContact O-N 3.44Å; A279-L281 PolarHBondContact O-N 3.19Å; L281-R283 PolarHBondContact O-NH1 3.26Å
282L98.6Very high96.6Very high0 Ų044.1 Ų44.10%025%0.247CC..  trans-70.4145.3178.8-57.8178.4000111W257 K265 P268 I278 A279 F284 M350 L354W257-L282 HydrophobicContact CH2-CB 4.15Å; W257-L282 HydrophobicContact CH2-CD2 3.81Å; W257-L282 HydrophobicContact CZ3-CB 4.43Å; W257-L282 HydrophobicContact CZ3-CD2 3.96Å; K265-L282 HydrophobicContact CG-CD2 4.1Å; P268-L282 HydrophobicContact CG-CD1 4.32Å; I278-L282 PolarHBondContact O-N 3.43Å; A279-L282 PolarHBondContact O-N 2.65Å; A279-L282 VanDerWaalsContact O-N 3.11Å; L282-F284 HydrophobicContact CB-CD2 4.47Å; L282-F284 HydrophobicContact CB-CE2 3.44Å; L282-F284 VanDerWaalsContact CB-CE2 3.44Å; L282-F284 HydrophobicContact CB-CZ 3.49Å; L282-F284 VanDerWaalsContact CB-CZ 3.49Å; L282-F284 HydrophobicContact CD1-CZ 3.83Å; L282-F284 HydrophobicContact CG-CZ 4.31Å; L282-M350 HydrophobicContact CD1-SD 3.82Å; L282-L354 HydrophobicContact CD1-CD2 3.79Å
283R98.5Very high96.6Very high25 Ų2539.7 Ų39.79%0.09424%0.236CC..  trans-123.1144.4170.1-57.7-69177.4-91.44.4110.5Y253 W257 K280 L281 Q294 V296Y253-R283 HydrophobicContact CE1-CG 4.03Å; W257-R283 HydrophobicContact CB-CG 4.5Å; W257-R283 HydrophobicContact CD2-CB 3.69Å; W257-R283 HydrophobicContact CD2-CG 3.9Å; W257-R283 HydrophobicContact CE3-CB 4.26Å; W257-R283 HydrophobicContact CE3-CG 4.2Å; W257-R283 HydrophobicContact CG-CB 3.91Å; W257-R283 HydrophobicContact CG-CG 3.99Å; W257-R283 VanDerWaalsContact CH2-N 3.25Å; W257-R283 HydrophobicContact CZ2-CB 4.09Å; W257-R283 WeakPolarHBondContact CZ2-O 3.29Å; K280-R283 PolarHBondContact O-NH1 3.36Å; L281-R283 PolarHBondContact O-NH1 3.26Å; R283-Q294 HydrophobicContact CB-CB 4.36Å; R283-Q294 WeakPolarHBondContact CB-O 3.45Å; R283-V296 CarbonylContact C-O 3.52Å; R283-V296 VanDerWaalsContact CA-O 3.32Å; R283-V296 WeakPolarHBondContact CA-O 2.91Å
284F98.4Very high96.6Very high2 Ų236.9 Ų36.91%0.00921%0.207CC..BIsolated β-bridgetrans-131.2152.7-173.4-57.4-87.7000110.5L282 Q294 T295 V296 L298 L340 L342 M350L282-F284 HydrophobicContact CB-CD2 4.47Å; L282-F284 HydrophobicContact CB-CE2 3.44Å; L282-F284 VanDerWaalsContact CB-CE2 3.44Å; L282-F284 HydrophobicContact CB-CZ 3.49Å; L282-F284 VanDerWaalsContact CB-CZ 3.49Å; L282-F284 HydrophobicContact CD1-CZ 3.83Å; L282-F284 HydrophobicContact CG-CZ 4.31Å; F284-Q294 CarbonylContact O-C 3.59Å; F284-Q294 WeakPolarHBondContact O-CA 3.42Å; F284-T295 PolarHBondContact O-N 3.28Å; F284-T295 VanDerWaalsContact O-N 3.11Å; F284-V296 PolarHBondContact N-O 3.14Å; F284-V296 WeakPolarHBondContact O-CB 3.47Å; F284-V296 PolarHBondContact O-N 3.3Å; F284-L298 HydrophobicContact CD2-CD2 4.03Å; F284-L298 HydrophobicContact CD2-CG 4.38Å; F284-L298 HydrophobicContact CE2-CD1 4.24Å; F284-L298 HydrophobicContact CE2-CD2 3.55Å; F284-L298 HydrophobicContact CE2-CG 3.67Å; F284-L298 HydrophobicContact CZ-CD2 4.15Å; F284-L298 HydrophobicContact CZ-CG 4.43Å; F284-L340 HydrophobicContact CB-CD2 3.89Å; F284-L340 HydrophobicContact CD1-CD1 4.25Å; F284-L340 HydrophobicContact CD2-CD1 4.31Å; F284-L340 HydrophobicContact CG-CD1 4.11Å; F284-L340 HydrophobicContact CG-CD2 4.26Å; F284-L342 HydrophobicContact CD1-CD2 3.9Å; F284-L342 HydrophobicContact CD1-CG 4.28Å; F284-L342 HydrophobicContact CE1-CD2 3.8Å; F284-M350 HydrophobicContact CE1-CE 4.01Å
285A98.2Very high96.6Very high2 Ų238.9 Ų38.92%0.01722%0.22CC..EExtended strand (participates in β ladder)trans-80.4149.7157.800000107.4Q294 Y320 L341A285-Q294 HydrophobicContact CB-CG 4.36Å; A285-Y320 HydrophobicContact CB-CD2 4.25Å; A285-Y320 HydrophobicContact CB-CE2 4.09Å; A285-L341 HydrophobicContact CB-CB 4.27Å; A285-L341 PolarHBondContact O-N 3.26Å
286S98Very high96.7Very high0 Ų037.5 Ų37.50%021%0.214CC..EExtended strand (participates in β ladder)trans-148.4163.8178.280.80000111.7H288 T289 D290 E338 V339S286-H288 PolarHBondContact O-N 2.9Å; S286-H288 VanDerWaalsContact O-N 3.14Å; S286-H288 WeakPolarHBondContact OG-CB 3.48Å; S286-H288 PolarHBondContact OG-N 3.48Å; S286-T289 PolarHBondContact O-N 3.01Å; S286-T289 PolarHBondContact O-OG1 3.22Å; S286-D290 PolarHBondContact O-N 3.49Å; S286-E338 WeakPolarHBondContact CB-OE1 3.37Å; S286-E338 PolarHBondContact OG-OE1 3.03Å; S286-V339 VanDerWaalsContact CA-O 3.27Å; S286-V339 WeakPolarHBondContact CA-O 3.25Å; S286-V339 WeakPolarHBondContact CB-O 3.48Å
287T97.3Very high96.7Very high27 Ų2731.9 Ų31.917%0.16619%0.188CC..THydrogen-bonded Turntrans-62.6-15.2174.255.10000113.5L329 E338 V339 L341T287-L329 HydrophobicContact CG2-CD1 4.05Å; T287-E338 WeakPolarHBondContact OG1-CA 3.44Å; T287-V339 HydrophobicContact CG2-CB 4.07Å; T287-V339 PolarHBondContact N-O 3.38Å; T287-V339 PolarHBondContact OG1-N 2.95Å; T287-L341 HydrophobicContact CG2-CD1 4.3Å; T287-L341 HydrophobicContact CG2-CD2 3.99Å; T287-L341 HydrophobicContact CG2-CG 4.33Å
288H95.7Very high96.8Very high114 Ų11430.2 Ų30.253%0.52817%0.174SC..THydrogen-bonded Turntrans-75.3-40176.7175.8-92.3000112.8S286 E338S286-H288 PolarHBondContact O-N 2.9Å; S286-H288 VanDerWaalsContact O-N 3.14Å; S286-H288 WeakPolarHBondContact OG-CB 3.48Å; S286-H288 PolarHBondContact OG-N 3.48Å; H288-E338 HydrophobicContact CB-CG 3.82Å; H288-E338 WeakPolarHBondContact CB-OE1 3.27Å; H288-E338 IonicContact CG-OE2 3.17Å
289T91.6Very high96.7Very high50 Ų5034.6 Ų34.631%0.30720%0.195SC..THydrogen-bonded Turntrans-85.8-20.9179.9530000112.9S286 S291 V296S286-T289 PolarHBondContact O-N 3.01Å; S286-T289 PolarHBondContact O-OG1 3.22Å; T289-S291 PolarHBondContact O-N 3.19Å; T289-V296 HydrophobicContact CG2-CG2 3.59Å
290D86.5Confident96.7Very high80 Ų8037.9 Ų37.943%0.42821%0.212SC..  trans52.224.8-177.8-154.446.5000114.4S286 Y320 K324S286-D290 PolarHBondContact O-N 3.49Å; D290-Y320 PolarHBondContact O-OH 3Å; D290-K324 PolarHBondContact O-NZ 3.37Å; D290-K324 WeakPolarHBondContact OD1-CE 3.42Å; D290-K324 IonicContact OD1-NZ 3.51Å; D290-K324 PolarHBondContact OD1-NZ 3.33Å; D290-K324 IonicContact OD2-NZ 3.8Å; D290-K324 PolarHBondContact OD2-NZ 3.42Å
291S94.9Very high96.7Very high52 Ų5235.3 Ų35.336%0.36420%0.201SC..SBendtrans-123.4152.8180177.70000111.1T289 A293 Y320T289-S291 PolarHBondContact O-N 3.19Å; S291-A293 PolarHBondContact O-N 2.65Å; S291-A293 WeakPolarHBondContact OG-CB 3.41Å; S291-A293 PolarHBondContact OG-N 3.29Å; S291-Y320 WeakPolarHBondContact CA-OH 3.49Å; S291-Y320 PolarHBondContact N-OH 2.99Å; S291-Y320 WeakPolarHBondContact O-CE2 3.44Å; S291-Y320 PolarHBondContact O-OH 3.19Å
292S95.2Very high96.7Very high78 Ų7836.6 Ų36.655%0.54521%0.209SC..SBendtrans-74.4-11.1172.364.20000112.9Q294S292-Q294 PolarHBondContact O-N 2.67Å
293A95.9Very high96.6Very high42 Ų4240.9 Ų40.935%0.34724%0.239SC..SBendtrans-66124.8176.400000110.3S291 T295S291-A293 PolarHBondContact O-N 2.65Å; S291-A293 WeakPolarHBondContact OG-CB 3.41Å; S291-A293 PolarHBondContact OG-N 3.29Å; A293-T295 HydrophobicContact CB-CG2 4.05Å; A293-T295 PolarHBondContact O-N 3.24Å
294Q97.8Very high96.6Very high31 Ų3142.8 Ų42.815%0.14525%0.246CC..  trans-82.893.1176.7-65.7178.8-2.700109.6Q254 W257 R283 F284 A285 S292 D344Q254-Q294 PolarHBondContact NE2-O 3.48Å; Q254-Q294 PolarHBondContact OE1-O 2.77Å; W257-Q294 VanDerWaalsContact NE1-CB 3.33Å; R283-Q294 HydrophobicContact CB-CB 4.36Å; R283-Q294 WeakPolarHBondContact CB-O 3.45Å; F284-Q294 CarbonylContact O-C 3.59Å; F284-Q294 WeakPolarHBondContact O-CA 3.42Å; A285-Q294 HydrophobicContact CB-CG 4.36Å; S292-Q294 PolarHBondContact O-N 2.67Å; Q294-D344 PolarHBondContact NE2-OD2 2.85Å
295T97.2Very high96.5Very high61 Ų6144.3 Ų44.337%0.37425%0.254SS..  trans-124.7-9.7-176.262.60000113.4F284 A293F284-T295 PolarHBondContact O-N 3.28Å; F284-T295 VanDerWaalsContact O-N 3.11Å; A293-T295 HydrophobicContact CB-CG2 4.05Å; A293-T295 PolarHBondContact O-N 3.24Å
296V98Very high96.3Very high5 Ų549.1 Ų49.13%0.0327%0.274CS..BIsolated β-bridgetrans-87.8122.9-174.8176.30000110.1R283 F284 T289 D300R283-V296 CarbonylContact C-O 3.52Å; R283-V296 VanDerWaalsContact CA-O 3.32Å; R283-V296 WeakPolarHBondContact CA-O 2.91Å; F284-V296 PolarHBondContact N-O 3.14Å; F284-V296 WeakPolarHBondContact O-CB 3.47Å; F284-V296 PolarHBondContact O-N 3.3Å; T289-V296 HydrophobicContact CG2-CG2 3.59Å; V296-D300 HydrophobicContact CG1-CB 4.3Å
297S98.2Very high95.9Very high6 Ų658.9 Ų58.94%0.04232%0.32CS..  trans-81.5163.7168.6730000111.7E299 D300 Y301S297-E299 VanDerWaalsContact C-N 3.32Å; S297-D300 WeakPolarHBondContact CB-OD2 3.27Å; S297-D300 PolarHBondContact N-OD2 3.11Å; S297-D300 WeakPolarHBondContact O-CB 3.24Å; S297-D300 PolarHBondContact O-N 2.96Å; S297-D300 VanDerWaalsContact OG-CB 3.31Å; S297-D300 WeakPolarHBondContact OG-CB 3.41Å; S297-D300 PolarHBondContact OG-N 3Å; S297-D300 PolarHBondContact OG-OD2 3.33Å; S297-Y301 PolarHBondContact O-N 3.23Å
298L98.5Very high95.4Very high0 Ų060.7 Ų60.70%034%0.344CS..Hα-helixtrans-68.2-33.6173.4-64.4173.7000112.2A279 F284 D300 Y301 V302 L340 F357 F362A279-L298 HydrophobicContact CB-CD1 3.96Å; A279-L298 WeakPolarHBondContact O-CD1 3.31Å; F284-L298 HydrophobicContact CD2-CD2 4.03Å; F284-L298 HydrophobicContact CD2-CG 4.38Å; F284-L298 HydrophobicContact CE2-CD1 4.24Å; F284-L298 HydrophobicContact CE2-CD2 3.55Å; F284-L298 HydrophobicContact CE2-CG 3.67Å; F284-L298 HydrophobicContact CZ-CD2 4.15Å; F284-L298 HydrophobicContact CZ-CG 4.43Å; L298-D300 VanDerWaalsContact C-N 3.33Å; L298-Y301 PolarHBondContact O-N 2.95Å; L298-V302 WeakPolarHBondContact O-CB 3.37Å; L298-V302 VanDerWaalsContact O-CG2 3.29Å; L298-V302 WeakPolarHBondContact O-CG2 3.47Å; L298-V302 PolarHBondContact O-N 2.6Å; L298-L340 HydrophobicContact CD2-CD1 3.85Å; L298-F357 HydrophobicContact CB-CD1 3.52Å; L298-F357 HydrophobicContact CB-CD2 4.05Å; L298-F357 HydrophobicContact CB-CE1 3.44Å; L298-F357 VanDerWaalsContact CB-CE1 3.44Å; L298-F357 HydrophobicContact CB-CE2 3.97Å; L298-F357 HydrophobicContact CB-CG 3.83Å; L298-F357 HydrophobicContact CB-CZ 3.68Å; L298-F357 HydrophobicContact CD1-CB 3.99Å; L298-F357 HydrophobicContact CD1-CD1 4.25Å; L298-F357 HydrophobicContact CD1-CD2 3.54Å; L298-F357 HydrophobicContact CD1-CE2 4.02Å; L298-F357 HydrophobicContact CD1-CG 3.65Å; L298-F357 HydrophobicContact CG-CD1 4.45Å; L298-F357 HydrophobicContact CG-CD2 4.45Å; L298-F357 HydrophobicContact CG-CG 4.33Å; L298-F362 HydrophobicContact CD1-CZ 3.84Å; L298-F362 HydrophobicContact CD2-CE1 3.84Å; L298-F362 HydrophobicContact CD2-CZ 3.73Å; L298-F362 HydrophobicContact CG-CZ 4.45Å
299E98.1Very high95.2Very high93 Ų9355.7 Ų55.744%0.43532%0.321SS..Hα-helixtrans-62.1-43.4174.2-63.1-178.9153.300110.7S297 V302 S303 F357S297-E299 VanDerWaalsContact C-N 3.32Å; E299-V302 PolarHBondContact O-N 3.25Å; E299-S303 WeakPolarHBondContact O-CB 3.32Å; E299-S303 PolarHBondContact O-N 2.83Å; E299-F357 HydrophobicContact CG-CE1 4.22Å; E299-F357 HydrophobicContact CG-CZ 3.78Å
300D97.6Very high95.3Very high69 Ų6959.3 Ų59.337%0.36933%0.334SS..Hα-helixtrans-59.4-47.5174.1-74.8-42.2000111.7V296 S297 L298 S303 R304V296-D300 HydrophobicContact CG1-CB 4.3Å; S297-D300 WeakPolarHBondContact CB-OD2 3.27Å; S297-D300 PolarHBondContact N-OD2 3.11Å; S297-D300 WeakPolarHBondContact O-CB 3.24Å; S297-D300 PolarHBondContact O-N 2.96Å; S297-D300 VanDerWaalsContact OG-CB 3.31Å; S297-D300 WeakPolarHBondContact OG-CB 3.41Å; S297-D300 PolarHBondContact OG-N 3Å; S297-D300 PolarHBondContact OG-OD2 3.33Å; L298-D300 VanDerWaalsContact C-N 3.33Å; D300-S303 PolarHBondContact O-N 3.45Å; D300-S303 PolarHBondContact O-OG 3.29Å; D300-R304 PolarHBondContact O-N 2.81Å; D300-R304 PolarHBondContact O-NH1 2.93Å; D300-R304 VanDerWaalsContact O-NH1 3.1Å
301Y98.5Very high95.8Very high1 Ų157.2 Ų57.20%0.00432%0.321CS..Hα-helixtrans-59.3-50.4176.8179.6-76000111S297 L298 S303 R304 M305 Q309 I312 Y313 E338 L340S297-Y301 PolarHBondContact O-N 3.23Å; L298-Y301 PolarHBondContact O-N 2.95Å; Y301-S303 VanDerWaalsContact C-N 3.27Å; Y301-S303 PolarHBondContact O-N 3.19Å; Y301-R304 CarbonylContact O-C 3.51Å; Y301-R304 PolarHBondContact O-N 2.84Å; Y301-M305 HydrophobicContact CD1-CG 4.06Å; Y301-M305 HydrophobicContact CD1-SD 4.48Å; Y301-M305 HydrophobicContact CE1-CG 3.8Å; Y301-M305 HydrophobicContact CE1-SD 4.26Å; Y301-M305 PolarHBondContact O-N 2.97Å; Y301-Q309 PolarHBondContact OH-NE2 3.32Å; Y301-I312 HydrophobicContact CD1-CB 4.46Å; Y301-I312 HydrophobicContact CD1-CG1 4.04Å; Y301-I312 HydrophobicContact CD1-CG2 3.95Å; Y301-I312 HydrophobicContact CE1-CB 3.96Å; Y301-I312 HydrophobicContact CE1-CG1 3.81Å; Y301-I312 HydrophobicContact CE1-CG2 3.66Å; Y301-I312 HydrophobicContact CE2-CG2 4.28Å; Y301-I312 HydrophobicContact CG-CG2 4.43Å; Y301-Y313 PolarHBondContact OH-N 3.38Å; Y301-E338 HydrophobicContact CD2-CB 4.1Å; Y301-E338 HydrophobicContact CD2-CG 3.71Å; Y301-E338 HydrophobicContact CE2-CB 3.74Å; Y301-E338 HydrophobicContact CE2-CG 3.7Å; Y301-E338 WeakPolarHBondContact CE2-O 3.37Å; Y301-E338 PolarHBondContact OH-O 3.41Å; Y301-L340 HydrophobicContact CD2-CD2 3.54Å; Y301-L340 HydrophobicContact CD2-CG 4.05Å; Y301-L340 HydrophobicContact CE2-CD2 4.06Å; Y301-L340 HydrophobicContact CE2-CG 4.13Å; Y301-L340 HydrophobicContact CG-CD2 4.34Å
302V98Very high95.9Very high30 Ų3054.7 Ų54.718%0.18230%0.304CS..Hα-helixtrans-59.4-40.3-179170.60000110.8L298 E299 R304 M305 I312 F357L298-V302 WeakPolarHBondContact O-CB 3.37Å; L298-V302 VanDerWaalsContact O-CG2 3.29Å; L298-V302 WeakPolarHBondContact O-CG2 3.47Å; L298-V302 PolarHBondContact O-N 2.6Å; E299-V302 PolarHBondContact O-N 3.25Å; V302-R304 PolarHBondContact O-N 3.47Å; V302-M305 HydrophobicContact CB-SD 4.31Å; V302-M305 HydrophobicContact CG1-SD 4.27Å; V302-M305 HydrophobicContact CG2-SD 4.13Å; V302-M305 WeakPolarHBondContact O-CB 3.46Å; V302-M305 PolarHBondContact O-N 3.29Å; V302-I312 HydrophobicContact CG2-CD1 4.14Å; V302-F357 HydrophobicContact CG2-CD1 3.86Å; V302-F357 HydrophobicContact CG2-CE1 4.07Å
303S97.4Very high96.1Very high90 Ų9051.1 Ų51.163%0.62928%0.279SS*.Hα-helixtrans-62.5-22.217779.80000114.2E299 D300 Y301E299-S303 WeakPolarHBondContact O-CB 3.32Å; E299-S303 PolarHBondContact O-N 2.83Å; D300-S303 PolarHBondContact O-N 3.45Å; D300-S303 PolarHBondContact O-OG 3.29Å; Y301-S303 VanDerWaalsContact C-N 3.27Å; Y301-S303 PolarHBondContact O-N 3.19Å
304R97.3Very high96.2Very high65 Ų6550.2 Ų50.225%0.24527%0.266CS..THydrogen-bonded Turntrans-103.30.7-179.7-69.6-171.8-63.3-82.5-1114D300 Y301 V302 E338D300-R304 PolarHBondContact O-N 2.81Å; D300-R304 PolarHBondContact O-NH1 2.93Å; D300-R304 VanDerWaalsContact O-NH1 3.1Å; Y301-R304 CarbonylContact O-C 3.51Å; Y301-R304 PolarHBondContact O-N 2.84Å; V302-R304 PolarHBondContact O-N 3.47Å; R304-E338 IonicContact CZ-OE2 2.75Å; R304-E338 IonicContact NE-OE2 2.67Å; R304-E338 PolarHBondContact NE-OE2 3.31Å; R304-E338 IonicContact NH2-OE1 3.9Å; R304-E338 PolarHBondContact NH2-OE1 2.93Å; R304-E338 VanDerWaalsContact NH2-OE1 3.11Å; R304-E338 IonicContact NH2-OE2 2.82Å; R304-E338 PolarHBondContact NH2-OE2 3.26Å; R304-E338 VanDerWaalsContact NH2-OE2 3.16Å
305M96.8Very high96.1Very high34 Ų3449 Ų4917%0.16726%0.261CS..PPolyproline II helixtrans-56.3140.4178-74.4178.973.800111Y301 V302 Q309 K360Y301-M305 HydrophobicContact CD1-CG 4.06Å; Y301-M305 HydrophobicContact CD1-SD 4.48Å; Y301-M305 HydrophobicContact CE1-CG 3.8Å; Y301-M305 HydrophobicContact CE1-SD 4.26Å; Y301-M305 PolarHBondContact O-N 2.97Å; V302-M305 HydrophobicContact CB-SD 4.31Å; V302-M305 HydrophobicContact CG1-SD 4.27Å; V302-M305 HydrophobicContact CG2-SD 4.13Å; V302-M305 WeakPolarHBondContact O-CB 3.46Å; V302-M305 PolarHBondContact O-N 3.29Å; M305-Q309 HydrophobicContact CB-CB 4.43Å; M305-Q309 HydrophobicContact CE-CB 3.97Å; M305-Q309 HydrophobicContact CE-CG 3.63Å; M305-Q309 WeakPolarHBondContact CE-O 3.45Å; M305-K360 HydrophobicContact CE-CD 4.02Å; M305-K360 HydrophobicContact CE-CG 4.26Å; M305-K360 HydrophobicContact SD-CD 4.46Å; M305-K360 HydrophobicContact SD-CG 4.19Å
306K93.5Very high96.1Very high104 Ų10446.6 Ų46.645%0.45225%0.246SC..PPolyproline II helixtrans-78158.1178.6-57.2-54.3-177.3-170.10111.1G308 Q309 G336 I337K306-G308 PolarHBondContact O-N 3.42Å; K306-Q309 WeakPolarHBondContact O-CB 3.5Å; K306-Q309 PolarHBondContact O-N 2.95Å; K306-G336 WeakPolarHBondContact CE-O 3.46Å; K306-I337 HydrophobicContact CB-CG1 4.48Å; K306-I337 HydrophobicContact CG-CG1 3.96Å
307E89.2Confident95.9Very high204 Ų20447 Ų4795%0.95325%0.25SC*.THydrogen-bonded Turntrans-58.2136171.4-171.9175.7-177.500110.1Q309E307-Q309 PolarHBondContact O-N 3.34Å
308G86.5Confident95.6Very high66 Ų6651.5 Ų51.568%0.6827%0.274SS*.THydrogen-bonded Turntrans78.2-5.6-17400000115K306 E310K306-G308 PolarHBondContact O-N 3.42Å; G308-E310 PolarHBondContact O-N 2.86Å
309Q93.2Very high95.4Very high9 Ų954 Ų544%0.04229%0.291CS..  trans-75.2113.7175-167.6-177.6-20.100110.9Y301 M305 K306 E307 K311 Y313 K360Y301-Q309 PolarHBondContact OH-NE2 3.32Å; M305-Q309 HydrophobicContact CB-CB 4.43Å; M305-Q309 HydrophobicContact CE-CB 3.97Å; M305-Q309 HydrophobicContact CE-CG 3.63Å; M305-Q309 WeakPolarHBondContact CE-O 3.45Å; K306-Q309 WeakPolarHBondContact O-CB 3.5Å; K306-Q309 PolarHBondContact O-N 2.95Å; E307-Q309 PolarHBondContact O-N 3.34Å; Q309-K311 PolarHBondContact NE2-O 2.98Å; Q309-Y313 HydrophobicContact CG-CE2 3.91Å; Q309-K360 PolarHBondContact O-NZ 2.91Å
310E92.2Very high95.3Very high125 Ų12551.5 Ų51.558%0.58428%0.278SS*.  trans-95.9-20.4-177.5-66.1179.6172.900113.4G308 K360G308-E310 PolarHBondContact O-N 2.86Å; E310-K360 VanDerWaalsContact O-CD 3.31Å; E310-K360 WeakPolarHBondContact O-CD 3.46Å
311K97Very high95.3Very high36 Ų3651.1 Ų51.116%0.15728%0.284CS..SBendtrans-127.8156.4-170.2-51.2-161.1178.4174.30113.2Q309 Y313 P361 Q363 D369Q309-K311 PolarHBondContact NE2-O 2.98Å; K311-Y313 HydrophobicContact CB-CE1 4.03Å; K311-P361 WeakPolarHBondContact CA-O 3.18Å; K311-P361 WeakPolarHBondContact CB-O 3.49Å; K311-P361 HydrophobicContact CD-CG 4.13Å; K311-P361 HydrophobicContact CG-CG 3.93Å; K311-Q363 HydrophobicContact CB-CB 4.08Å; K311-Q363 HydrophobicContact CD-CB 3.73Å; K311-Q363 HydrophobicContact CD-CG 4.16Å; K311-D369 IonicContact NZ-OD1 3.78Å; K311-D369 PolarHBondContact NZ-OD1 2.96Å; K311-D369 IonicContact NZ-OD2 3.25Å; K311-D369 PolarHBondContact NZ-OD2 3.06Å
312I98.1Very high95.1Very high0 Ų053.1 Ų53.10%030%0.301CS..EExtended strand (participates in β ladder)trans-89.7113.1169.2-59.7174.1000107.9Y301 V302 L340 F357 K360 P361 F362 Q363Y301-I312 HydrophobicContact CD1-CB 4.46Å; Y301-I312 HydrophobicContact CD1-CG1 4.04Å; Y301-I312 HydrophobicContact CD1-CG2 3.95Å; Y301-I312 HydrophobicContact CE1-CB 3.96Å; Y301-I312 HydrophobicContact CE1-CG1 3.81Å; Y301-I312 HydrophobicContact CE1-CG2 3.66Å; Y301-I312 HydrophobicContact CE2-CG2 4.28Å; Y301-I312 HydrophobicContact CG-CG2 4.43Å; V302-I312 HydrophobicContact CG2-CD1 4.14Å; I312-L340 HydrophobicContact CG2-CD1 3.82Å; I312-L340 HydrophobicContact CG2-CG 4.32Å; I312-F357 HydrophobicContact CD1-CB 3.88Å; I312-F357 HydrophobicContact CD1-CD1 4.29Å; I312-K360 HydrophobicContact CD1-CB 4.12Å; I312-K360 HydrophobicContact CG1-CB 3.95Å; I312-P361 PolarHBondContact N-O 3.34Å; I312-F362 HydrophobicContact CB-CD1 3.78Å; I312-F362 HydrophobicContact CB-CE1 3.96Å; I312-F362 HydrophobicContact CB-CG 4.38Å; I312-F362 HydrophobicContact CD1-CE1 4.09Å; I312-F362 HydrophobicContact CD1-CE2 4.45Å; I312-F362 HydrophobicContact CD1-CZ 4.01Å; I312-F362 HydrophobicContact CG2-CD1 3.57Å; I312-F362 HydrophobicContact CG2-CE1 3.46Å; I312-F362 VanDerWaalsContact CG2-CE1 3.46Å; I312-F362 HydrophobicContact CG2-CZ 4.4Å; I312-F362 CarbonylContact O-C 3.56Å; I312-F362 WeakPolarHBondContact O-CA 3.16Å; I312-Q363 PolarHBondContact O-N 3.37Å
313Y98.1Very high95Very high3 Ų351.7 Ų51.71%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-88.4137.9-176.1-63.3-61.7000110.8Y301 Q309 K311 L332 I337 V339 L340 Q363 V365 S371 L372 L375Y301-Y313 PolarHBondContact OH-N 3.38Å; Q309-Y313 HydrophobicContact CG-CE2 3.91Å; K311-Y313 HydrophobicContact CB-CE1 4.03Å; Y313-L332 HydrophobicContact CD2-CD2 3.93Å; Y313-L332 HydrophobicContact CE2-CD2 4.13Å; Y313-L332 HydrophobicContact CG-CD2 4.37Å; Y313-I337 HydrophobicContact CD2-CG2 3.63Å; Y313-I337 HydrophobicContact CE2-CG2 3.97Å; Y313-V339 WeakPolarHBondContact O-CA 3.42Å; Y313-L340 PolarHBondContact O-N 3.34Å; Y313-Q363 WeakPolarHBondContact CA-O 3.48Å; Y313-Q363 HydrophobicContact CD1-CB 3.82Å; Y313-Q363 HydrophobicContact CD1-CG 3.97Å; Y313-Q363 HydrophobicContact CE1-CB 4.01Å; Y313-Q363 HydrophobicContact CE1-CG 3.97Å; Y313-V365 HydrophobicContact CD1-CG1 4.39Å; Y313-V365 HydrophobicContact CG-CG1 4.46Å; Y313-S371 PolarHBondContact OH-OG 2.79Å; Y313-L372 HydrophobicContact CD1-CD2 3.68Å; Y313-L372 HydrophobicContact CE1-CD2 3.41Å; Y313-L372 VanDerWaalsContact CE1-CD2 3.41Å; Y313-L372 HydrophobicContact CE1-CG 4.05Å; Y313-L372 HydrophobicContact CG-CD2 4.46Å; Y313-L375 HydrophobicContact CE2-CD1 3.94Å
314Y98.1Very high95Very high23 Ų2350.1 Ų50.19%0.0927%0.274CS..EExtended strand (participates in β ladder)trans-143.9160.717976.8-91.8000112.5T316 L340 L342 M351 F362 Q363 S364 V365Y314-T316 HydrophobicContact CD2-CG2 4.18Å; Y314-T316 HydrophobicContact CE2-CG2 4.07Å; Y314-L340 CarbonylContact C-O 3.55Å; Y314-L340 WeakPolarHBondContact CA-O 3.42Å; Y314-L342 VanDerWaalsContact CB-CD1 3.49Å; Y314-L342 HydrophobicContact CD2-CD1 3.69Å; Y314-L342 HydrophobicContact CG-CD1 3.94Å; Y314-M351 HydrophobicContact CD1-CE 3.84Å; Y314-M351 HydrophobicContact CD2-CG 4.2Å; Y314-M351 HydrophobicContact CE1-CE 3.65Å; Y314-M351 HydrophobicContact CE2-CB 4.08Å; Y314-M351 HydrophobicContact CE2-CE 4.4Å; Y314-M351 HydrophobicContact CE2-CG 3.82Å; Y314-M351 HydrophobicContact CG-CE 4.29Å; Y314-F362 HydrophobicContact CD1-CB 3.97Å; Y314-F362 HydrophobicContact CD1-CD1 4.24Å; Y314-F362 HydrophobicContact CE1-CB 3.8Å; Y314-Q363 VanDerWaalsContact CD1-O 3.3Å; Y314-Q363 WeakPolarHBondContact CD1-O 3.37Å; Y314-Q363 PolarHBondContact N-O 3.35Å; Y314-S364 CarbonylContact O-C 3.52Å; Y314-S364 WeakPolarHBondContact O-CA 3.41Å; Y314-V365 WeakPolarHBondContact O-CG2 3.4Å; Y314-V365 PolarHBondContact O-N 3.1Å
315I97.2Very high94.9Very high6 Ų651.4 Ų51.43%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-134.7140.2168.3-169.5168.1000110A323 S326 H328 L329 V339 L340 L341 L342 V365I315-A323 HydrophobicContact CG2-CB 3.98Å; I315-S326 WeakPolarHBondContact CD1-OG 3.47Å; I315-H328 HydrophobicContact CD1-CB 4.47Å; I315-L329 HydrophobicContact CG2-CD2 4.35Å; I315-V339 HydrophobicContact CG2-CG1 4.49Å; I315-L340 PolarHBondContact N-O 2.98Å; I315-L341 HydrophobicContact CG2-CD2 3.64Å; I315-L342 WeakPolarHBondContact O-CB 3.31Å; I315-L342 PolarHBondContact O-N 3.03Å; I315-V365 HydrophobicContact CB-CG2 3.69Å; I315-V365 HydrophobicContact CD1-CG2 4Å; I315-V365 HydrophobicContact CG1-CG2 4.04Å
316T95.8Very high94.8Very high9 Ų950.4 Ų50.46%0.05529%0.29CS..EExtended strand (participates in β ladder)trans-106.9135.4170.848.50000109.9Y314 L342 D347 E348 Q431Y314-T316 HydrophobicContact CD2-CG2 4.18Å; Y314-T316 HydrophobicContact CE2-CG2 4.07Å; T316-L342 CarbonylContact C-O 3.53Å; T316-L342 WeakPolarHBondContact CA-O 3.43Å; T316-L342 HydrophobicContact CG2-CB 3.86Å; T316-D347 HydrophobicContact CG2-CB 4.36Å; T316-E348 WeakPolarHBondContact CB-OE2 3.32Å; T316-E348 HydrophobicContact CG2-CB 4.44Å; T316-E348 VanDerWaalsContact CG2-OE2 3.29Å; T316-E348 WeakPolarHBondContact CG2-OE2 3.32Å; T316-E348 PolarHBondContact OG1-OE2 3.12Å; T316-Q431 WeakPolarHBondContact O-CG 3.42Å; T316-Q431 WeakPolarHBondContact OG1-CG 3.29Å
317A94.6Very high95Very high14 Ų1446.3 Ų46.312%0.11627%0.273CS..  trans-149.6167177.800000112.2S319 A322 A323 L342 S343A317-S319 PolarHBondContact O-N 3.45Å; A317-A322 HydrophobicContact CB-CB 3.95Å; A317-A323 HydrophobicContact CB-CB 3.82Å; A317-L342 PolarHBondContact N-O 3.2Å; A317-S343 VanDerWaalsContact O-CA 3.29Å; A317-S343 WeakPolarHBondContact O-CA 3.18Å
318D91.8Very high95.3Very high101 Ų10137.2 Ų37.254%0.5423%0.231SC..SBendtrans-67.8-17.6-180-63.3-47.5000113.6Q431 K434D318-Q431 PolarHBondContact OD1-OE1 3.47Å; D318-K434 IonicContact OD1-NZ 3.31Å; D318-K434 IonicContact OD2-NZ 2.84Å; D318-K434 PolarHBondContact OD2-NZ 2.99Å
319S94.8Very high95.8Very high52 Ų5234 Ų3436%0.36420%0.198SC..SBendtrans-154.9157.8178.368.90000111.2A317 A321 A322 A323A317-S319 PolarHBondContact O-N 3.45Å; S319-A321 PolarHBondContact O-N 2.84Å; S319-A322 PolarHBondContact O-N 3.38Å; S319-A322 WeakPolarHBondContact OG-CB 3.3Å; S319-A322 PolarHBondContact OG-N 3.21Å; S319-A323 PolarHBondContact O-N 2.97Å
320Y96.3Very high95.9Very high40 Ų4035 Ų3516%0.15720%0.203CC..Hα-helixtrans-54.5-40.6173172.2-100.8000112.5A285 D290 S291 A322 A323 K324 L341 S343A285-Y320 HydrophobicContact CB-CD2 4.25Å; A285-Y320 HydrophobicContact CB-CE2 4.09Å; D290-Y320 PolarHBondContact O-OH 3Å; S291-Y320 WeakPolarHBondContact CA-OH 3.49Å; S291-Y320 PolarHBondContact N-OH 2.99Å; S291-Y320 WeakPolarHBondContact O-CE2 3.44Å; S291-Y320 PolarHBondContact O-OH 3.19Å; Y320-A322 PolarHBondContact O-N 3.16Å; Y320-A323 PolarHBondContact O-N 2.89Å; Y320-K324 HydrophobicContact CE1-CB 4.28Å; Y320-K324 HydrophobicContact CE1-CD 3.7Å; Y320-K324 VanDerWaalsContact O-CB 3.24Å; Y320-K324 WeakPolarHBondContact O-CB 3.45Å; Y320-K324 PolarHBondContact O-N 3.21Å; Y320-L341 HydrophobicContact CD2-CB 4.47Å; Y320-L341 HydrophobicContact CD2-CD1 4.36Å; Y320-L341 HydrophobicContact CE2-CB 4.42Å; Y320-L341 HydrophobicContact CE2-CD1 3.64Å; Y320-S343 PolarHBondContact N-OG 3.33Å
321A96.2Very high95.9Very high62 Ų6229.5 Ų29.551%0.51218%0.177SC..Hα-helixtrans-61.8-46.5179.800000111.1S319 K324 S325S319-A321 PolarHBondContact O-N 2.84Å; A321-K324 PolarHBondContact O-N 2.83Å; A321-S325 WeakPolarHBondContact O-CB 3.42Å; A321-S325 PolarHBondContact O-N 2.84Å; A321-S325 PolarHBondContact O-OG 3.47Å
322A94.8Very high95.8Very high42 Ų4228 Ų2835%0.34717%0.171SC..Hα-helixtrans-63.5-41.5177.200000112.3A317 S319 Y320 S326A317-A322 HydrophobicContact CB-CB 3.95Å; S319-A322 PolarHBondContact O-N 3.38Å; S319-A322 WeakPolarHBondContact OG-CB 3.3Å; S319-A322 PolarHBondContact OG-N 3.21Å; Y320-A322 PolarHBondContact O-N 3.16Å; A322-S326 PolarHBondContact O-N 3.34Å
323A96.5Very high95.6Very high0 Ų033.4 Ų33.40%019%0.192CC..Hα-helixtrans-61.6-50.6173.800000111.1I315 A317 S319 Y320 S325 S326 L329 L341I315-A323 HydrophobicContact CG2-CB 3.98Å; A317-A323 HydrophobicContact CB-CB 3.82Å; S319-A323 PolarHBondContact O-N 2.97Å; Y320-A323 PolarHBondContact O-N 2.89Å; A323-S325 PolarHBondContact O-N 2.71Å; A323-S326 WeakPolarHBondContact O-CB 3.14Å; A323-S326 PolarHBondContact O-N 2.9Å; A323-L329 WeakPolarHBondContact O-CD1 3.18Å; A323-L341 HydrophobicContact CB-CB 4.19Å; A323-L341 HydrophobicContact CB-CD2 4.24Å
324K96.6Very high95.3Very high57 Ų5739.4 Ų39.425%0.24822%0.218CC..Hα-helixtrans-61.8-40-177.2179180179.5151.90112.7D290 Y320 A321 L329 R333 L341D290-K324 PolarHBondContact O-NZ 3.37Å; D290-K324 WeakPolarHBondContact OD1-CE 3.42Å; D290-K324 IonicContact OD1-NZ 3.51Å; D290-K324 PolarHBondContact OD1-NZ 3.33Å; D290-K324 IonicContact OD2-NZ 3.8Å; D290-K324 PolarHBondContact OD2-NZ 3.42Å; Y320-K324 HydrophobicContact CE1-CB 4.28Å; Y320-K324 HydrophobicContact CE1-CD 3.7Å; Y320-K324 VanDerWaalsContact O-CB 3.24Å; Y320-K324 WeakPolarHBondContact O-CB 3.45Å; Y320-K324 PolarHBondContact O-N 3.21Å; A321-K324 PolarHBondContact O-N 2.83Å; K324-L329 WeakPolarHBondContact O-CD1 3.24Å; K324-R333 PolarHBondContact O-NH2 2.97Å; K324-L341 HydrophobicContact CB-CD1 4.24Å
325S94.5Very high95Very high92 Ų9241.9 Ų41.964%0.64323%0.229SC*.THydrogen-bonded Turntrans-92.48.7-17769.30000113.8A321 A323A321-S325 WeakPolarHBondContact O-CB 3.42Å; A321-S325 PolarHBondContact O-N 2.84Å; A321-S325 PolarHBondContact O-OG 3.47Å; A323-S325 PolarHBondContact O-N 2.71Å
326S96.4Very high94.9Very high14 Ų1443.7 Ų43.710%0.09825%0.249CC..  trans-65131.6-177.6178.90000111.6I315 A322 A323 H328 L329I315-S326 WeakPolarHBondContact CD1-OG 3.47Å; A322-S326 PolarHBondContact O-N 3.34Å; A323-S326 WeakPolarHBondContact O-CB 3.14Å; A323-S326 PolarHBondContact O-N 2.9Å; S326-H328 PolarHBondContact O-N 3Å; S326-H328 PolarHBondContact OG-CD2 3.35Å; S326-H328 PolarHBondContact OG-N 3.48Å; S326-L329 WeakPolarHBondContact O-CB 3.37Å; S326-L329 PolarHBondContact O-N 3.31Å
327P96.7Very high94.9Very high17 Ų1743.7 Ų43.711%0.1125%0.248CC..G310 helixtrans-58.8-24.6174.2-2736.2000114.1L329 E330 L414 T417 I420 A485P327-L329 PolarHBondContact O-N 3.44Å; P327-E330 WeakPolarHBondContact O-CB 3.46Å; P327-E330 WeakPolarHBondContact O-CG 3.5Å; P327-E330 PolarHBondContact O-N 3.47Å; P327-L414 HydrophobicContact CB-CD2 4.17Å; P327-T417 HydrophobicContact CB-CG2 3.79Å; P327-T417 HydrophobicContact CG-CG2 3.91Å; P327-I420 HydrophobicContact CB-CG2 3.57Å; P327-I420 HydrophobicContact CG-CG2 4.39Å; P327-A485 HydrophobicContact CG-CB 4.36Å
328H96Very high95Very high13 Ų1343.7 Ų43.76%0.0625%0.246CC..G310 helixtrans-60.7-14.1175.2-63.4-64000113.4I315 S326 V365 V421 E486I315-H328 HydrophobicContact CD1-CB 4.47Å; S326-H328 PolarHBondContact O-N 3Å; S326-H328 PolarHBondContact OG-CD2 3.35Å; S326-H328 PolarHBondContact OG-N 3.48Å; H328-V365 HydrophobicContact CB-CB 4.27Å; H328-V365 HydrophobicContact CB-CG2 3.74Å; H328-V421 PolarHBondContact CE1-O 3.45Å; H328-V421 PolarHBondContact NE2-O 3.32Å; H328-E486 IonicContact CD2-OE2 3.24Å; H328-E486 IonicContact CE1-OE2 3.93Å; H328-E486 IonicContact NE2-OE2 2.76Å; H328-E486 PolarHBondContact NE2-OE2 2.96Å
329L96.3Very high95.3Very high0 Ų039 Ų390%022%0.22CC..G310 helixtrans-89.3-10.8177.8-56.8-176.6000113.9T287 I315 A323 K324 S326 P327 L332 R333 V339 L341 V365T287-L329 HydrophobicContact CG2-CD1 4.05Å; I315-L329 HydrophobicContact CG2-CD2 4.35Å; A323-L329 WeakPolarHBondContact O-CD1 3.18Å; K324-L329 WeakPolarHBondContact O-CD1 3.24Å; S326-L329 WeakPolarHBondContact O-CB 3.37Å; S326-L329 PolarHBondContact O-N 3.31Å; P327-L329 PolarHBondContact O-N 3.44Å; L329-L332 PolarHBondContact O-N 3.35Å; L329-R333 HydrophobicContact CB-CG 4.29Å; L329-R333 VanDerWaalsContact O-CB 3.32Å; L329-R333 WeakPolarHBondContact O-CB 3.4Å; L329-R333 VanDerWaalsContact O-CG 3.28Å; L329-R333 WeakPolarHBondContact O-CG 3.49Å; L329-R333 PolarHBondContact O-N 3.25Å; L329-V339 HydrophobicContact CD2-CB 3.86Å; L329-V339 HydrophobicContact CD2-CG1 3.63Å; L329-V339 HydrophobicContact CD2-CG2 3.91Å; L329-L341 HydrophobicContact CD1-CD2 3.89Å; L329-V365 HydrophobicContact CD2-CG2 4.21Å
330E95.3Very high95.5Very high28 Ų2836.5 Ų36.513%0.13120%0.203CC..Hα-helixtrans-58.3-55.6-169.5-76178.2-157.200113P327 L332 R333 K334 L414 T415 D416 T417P327-E330 WeakPolarHBondContact O-CB 3.46Å; P327-E330 WeakPolarHBondContact O-CG 3.5Å; P327-E330 PolarHBondContact O-N 3.47Å; E330-L332 PolarHBondContact O-N 3.44Å; E330-R333 PolarHBondContact O-N 2.97Å; E330-K334 WeakPolarHBondContact O-CB 3.44Å; E330-K334 PolarHBondContact O-N 3.43Å; E330-L414 WeakPolarHBondContact OE2-CA 3.23Å; E330-T415 HydrophobicContact CB-CG2 4.49Å; E330-T415 PolarHBondContact OE2-N 3.07Å; E330-T415 PolarHBondContact OE2-OG1 3.28Å; E330-D416 PolarHBondContact OE2-N 3.17Å; E330-T417 WeakPolarHBondContact OE1-CB 3.14Å; E330-T417 PolarHBondContact OE1-N 3.47Å; E330-T417 PolarHBondContact OE1-OG1 3.46Å; E330-T417 PolarHBondContact OE2-N 2.99Å
331L92.6Very high95.6Very high10 Ų1034.6 Ų34.65%0.05220%0.196CC..Hα-helixtrans-59.4-45.1176.3175.664.4000112.3R333 K334 K335 L375 A376 R413L331-R333 VanDerWaalsContact C-N 3.34Å; L331-R333 PolarHBondContact O-N 3.14Å; L331-K334 WeakPolarHBondContact O-CB 3.3Å; L331-K334 PolarHBondContact O-N 3.27Å; L331-K335 HydrophobicContact CD1-CG 4.09Å; L331-K335 HydrophobicContact CG-CG 4.49Å; L331-K335 WeakPolarHBondContact O-CG 3.46Å; L331-K335 PolarHBondContact O-N 3.03Å; L331-L375 HydrophobicContact CD2-CB 4.12Å; L331-A376 HydrophobicContact CD2-CB 4.38Å; L331-R413 HydrophobicContact CB-CB 4.36Å; L331-R413 WeakPolarHBondContact CB-O 3.43Å; L331-R413 HydrophobicContact CD2-CB 4.3Å; L331-R413 HydrophobicContact CD2-CG 3.99Å; L331-R413 PolarHBondContact N-O 2.93Å; L331-R413 VanDerWaalsContact N-O 3.11Å
332L94.8Very high95.7Very high4 Ų431.7 Ų31.72%0.02117%0.172CC..Hα-helixtrans-64-41-177.9-68.2160.7000111Y313 L329 E330 K335 G336 I337 V339 V365 L372 L375Y313-L332 HydrophobicContact CD2-CD2 3.93Å; Y313-L332 HydrophobicContact CE2-CD2 4.13Å; Y313-L332 HydrophobicContact CG-CD2 4.37Å; L329-L332 PolarHBondContact O-N 3.35Å; E330-L332 PolarHBondContact O-N 3.44Å; L332-K335 CarbonylContact O-C 3.56Å; L332-K335 PolarHBondContact O-N 3.49Å; L332-G336 PolarHBondContact O-N 3.42Å; L332-I337 HydrophobicContact CB-CB 4.4Å; L332-I337 HydrophobicContact CD2-CB 3.86Å; L332-I337 HydrophobicContact CD2-CD1 4.14Å; L332-I337 HydrophobicContact CD2-CG2 3.67Å; L332-I337 PolarHBondContact O-N 3.01Å; L332-V339 HydrophobicContact CB-CG2 3.87Å; L332-V339 HydrophobicContact CD1-CG2 3.58Å; L332-V339 HydrophobicContact CG-CG2 4.22Å; L332-V365 HydrophobicContact CD1-CB 4.13Å; L332-V365 HydrophobicContact CD1-CG1 3.38Å; L332-L372 HydrophobicContact CD1-CD2 4.18Å; L332-L372 HydrophobicContact CD2-CD2 4.28Å; L332-L375 HydrophobicContact CD2-CD1 3.63Å
333R94.3Very high95.7Very high115 Ų11531.1 Ų31.143%0.43417%0.165SC..Hα-helixtrans-61.9-46.5171.9-76.1173.3176.3-102.70.7111.5K324 L329 E330 L331 K335 G336K324-R333 PolarHBondContact O-NH2 2.97Å; L329-R333 HydrophobicContact CB-CG 4.29Å; L329-R333 VanDerWaalsContact O-CB 3.32Å; L329-R333 WeakPolarHBondContact O-CB 3.4Å; L329-R333 VanDerWaalsContact O-CG 3.28Å; L329-R333 WeakPolarHBondContact O-CG 3.49Å; L329-R333 PolarHBondContact O-N 3.25Å; E330-R333 PolarHBondContact O-N 2.97Å; L331-R333 VanDerWaalsContact C-N 3.34Å; L331-R333 PolarHBondContact O-N 3.14Å; R333-K335 PolarHBondContact O-N 3.23Å; R333-G336 PolarHBondContact O-N 2.95Å
334K92.6Very high95.7Very high129 Ų12933.3 Ų33.356%0.56118%0.177SC*.Hα-helixtrans-57.7-37.7176.3-175-171.8178.9-162.20111.6E330 L331 G336 D377 T415E330-K334 WeakPolarHBondContact O-CB 3.44Å; E330-K334 PolarHBondContact O-N 3.43Å; L331-K334 WeakPolarHBondContact O-CB 3.3Å; L331-K334 PolarHBondContact O-N 3.27Å; K334-G336 VanDerWaalsContact C-N 3.34Å; K334-D377 IonicContact NZ-OD2 3.32Å; K334-D377 PolarHBondContact NZ-OD2 3.24Å; K334-D377 VanDerWaalsContact NZ-OD2 3.09Å; K334-T415 HydrophobicContact CD-CG2 3.98Å
335K92.1Very high95.4Very high75 Ų7541.7 Ų41.733%0.32621%0.207SC..THydrogen-bonded Turntrans-83.3-4.4176.6-64.6-56.6-166.7177.60114.3L331 L332 R333 I337 L375 D377L331-K335 HydrophobicContact CD1-CG 4.09Å; L331-K335 HydrophobicContact CG-CG 4.49Å; L331-K335 WeakPolarHBondContact O-CG 3.46Å; L331-K335 PolarHBondContact O-N 3.03Å; L332-K335 CarbonylContact O-C 3.56Å; L332-K335 PolarHBondContact O-N 3.49Å; R333-K335 PolarHBondContact O-N 3.23Å; K335-I337 HydrophobicContact CB-CD1 3.8Å; K335-I337 HydrophobicContact CB-CG1 3.95Å; K335-I337 PolarHBondContact O-N 3.3Å; K335-L375 WeakPolarHBondContact CE-O 3.3Å; K335-D377 VanDerWaalsContact NZ-CG 3.35Å; K335-D377 IonicContact NZ-OD1 2.91Å; K335-D377 PolarHBondContact NZ-OD1 3.41Å; K335-D377 IonicContact NZ-OD2 3.77Å
336G93.6Very high95.4Very high43 Ų4338.7 Ų38.744%0.44318%0.184SC..THydrogen-bonded Turntrans62.927.7-175.500000113.5K306 L332 R333 K334K306-G336 WeakPolarHBondContact CE-O 3.46Å; L332-G336 PolarHBondContact O-N 3.42Å; R333-G336 PolarHBondContact O-N 2.95Å; K334-G336 VanDerWaalsContact C-N 3.34Å
337I95.8Very high95.4Very high9 Ų938.1 Ų38.15%0.04618%0.179CC..  trans-87.2127176.3-65.2170.3000108.4K306 Y313 L332 K335 L375K306-I337 HydrophobicContact CB-CG1 4.48Å; K306-I337 HydrophobicContact CG-CG1 3.96Å; Y313-I337 HydrophobicContact CD2-CG2 3.63Å; Y313-I337 HydrophobicContact CE2-CG2 3.97Å; L332-I337 HydrophobicContact CB-CB 4.4Å; L332-I337 HydrophobicContact CD2-CB 3.86Å; L332-I337 HydrophobicContact CD2-CD1 4.14Å; L332-I337 HydrophobicContact CD2-CG2 3.67Å; L332-I337 PolarHBondContact O-N 3.01Å; K335-I337 HydrophobicContact CB-CD1 3.8Å; K335-I337 HydrophobicContact CB-CG1 3.95Å; K335-I337 PolarHBondContact O-N 3.3Å; I337-L375 HydrophobicContact CD1-CD1 3.65Å; I337-L375 HydrophobicContact CD1-CD2 3.52Å; I337-L375 HydrophobicContact CD1-CG 4.14Å
338E97.6Very high95.2Very high15 Ų1538 Ų387%0.0718%0.177CC..  trans-69.2143.6179.2-171.5171.317200110.5S286 T287 H288 Y301 R304S286-E338 WeakPolarHBondContact CB-OE1 3.37Å; S286-E338 PolarHBondContact OG-OE1 3.03Å; T287-E338 WeakPolarHBondContact OG1-CA 3.44Å; H288-E338 HydrophobicContact CB-CG 3.82Å; H288-E338 WeakPolarHBondContact CB-OE1 3.27Å; H288-E338 IonicContact CG-OE2 3.17Å; Y301-E338 HydrophobicContact CD2-CB 4.1Å; Y301-E338 HydrophobicContact CD2-CG 3.71Å; Y301-E338 HydrophobicContact CE2-CB 3.74Å; Y301-E338 HydrophobicContact CE2-CG 3.7Å; Y301-E338 WeakPolarHBondContact CE2-O 3.37Å; Y301-E338 PolarHBondContact OH-O 3.41Å; R304-E338 IonicContact CZ-OE2 2.75Å; R304-E338 IonicContact NE-OE2 2.67Å; R304-E338 PolarHBondContact NE-OE2 3.31Å; R304-E338 IonicContact NH2-OE1 3.9Å; R304-E338 PolarHBondContact NH2-OE1 2.93Å; R304-E338 VanDerWaalsContact NH2-OE1 3.11Å; R304-E338 IonicContact NH2-OE2 2.82Å; R304-E338 PolarHBondContact NH2-OE2 3.26Å; R304-E338 VanDerWaalsContact NH2-OE2 3.16Å
339V98.2Very high95Very high1 Ų141.4 Ų41.41%0.00619%0.19CC..  trans-132.8132.4175.2-174.20000108.4S286 T287 Y313 I315 L329 L332 V365S286-V339 VanDerWaalsContact CA-O 3.27Å; S286-V339 WeakPolarHBondContact CA-O 3.25Å; S286-V339 WeakPolarHBondContact CB-O 3.48Å; T287-V339 HydrophobicContact CG2-CB 4.07Å; T287-V339 PolarHBondContact N-O 3.38Å; T287-V339 PolarHBondContact OG1-N 2.95Å; Y313-V339 WeakPolarHBondContact O-CA 3.42Å; I315-V339 HydrophobicContact CG2-CG1 4.49Å; L329-V339 HydrophobicContact CD2-CB 3.86Å; L329-V339 HydrophobicContact CD2-CG1 3.63Å; L329-V339 HydrophobicContact CD2-CG2 3.91Å; L332-V339 HydrophobicContact CB-CG2 3.87Å; L332-V339 HydrophobicContact CD1-CG2 3.58Å; L332-V339 HydrophobicContact CG-CG2 4.22Å; V339-V365 HydrophobicContact CG1-CG1 4.01Å
340L98.6Very high95Very high0 Ų041.4 Ų41.40%019%0.19CC..EExtended strand (participates in β ladder)trans-73131.1173.6-57-177.6000110.1F284 L298 Y301 I312 Y313 Y314 I315 L342 F362F284-L340 HydrophobicContact CB-CD2 3.89Å; F284-L340 HydrophobicContact CD1-CD1 4.25Å; F284-L340 HydrophobicContact CD2-CD1 4.31Å; F284-L340 HydrophobicContact CG-CD1 4.11Å; F284-L340 HydrophobicContact CG-CD2 4.26Å; L298-L340 HydrophobicContact CD2-CD1 3.85Å; Y301-L340 HydrophobicContact CD2-CD2 3.54Å; Y301-L340 HydrophobicContact CD2-CG 4.05Å; Y301-L340 HydrophobicContact CE2-CD2 4.06Å; Y301-L340 HydrophobicContact CE2-CG 4.13Å; Y301-L340 HydrophobicContact CG-CD2 4.34Å; I312-L340 HydrophobicContact CG2-CD1 3.82Å; I312-L340 HydrophobicContact CG2-CG 4.32Å; Y313-L340 PolarHBondContact O-N 3.34Å; Y314-L340 CarbonylContact C-O 3.55Å; Y314-L340 WeakPolarHBondContact CA-O 3.42Å; I315-L340 PolarHBondContact N-O 2.98Å; L340-L342 HydrophobicContact CB-CD1 4.01Å; L340-F362 HydrophobicContact CD1-CE1 4.06Å
341L98.3Very high95Very high1 Ų140.5 Ų40.51%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-105.897.9-177.6-56.8178.9000109A285 T287 I315 Y320 A323 K324 L329A285-L341 HydrophobicContact CB-CB 4.27Å; A285-L341 PolarHBondContact O-N 3.26Å; T287-L341 HydrophobicContact CG2-CD1 4.3Å; T287-L341 HydrophobicContact CG2-CD2 3.99Å; T287-L341 HydrophobicContact CG2-CG 4.33Å; I315-L341 HydrophobicContact CG2-CD2 3.64Å; Y320-L341 HydrophobicContact CD2-CB 4.47Å; Y320-L341 HydrophobicContact CD2-CD1 4.36Å; Y320-L341 HydrophobicContact CE2-CB 4.42Å; Y320-L341 HydrophobicContact CE2-CD1 3.64Å; A323-L341 HydrophobicContact CB-CB 4.19Å; A323-L341 HydrophobicContact CB-CD2 4.24Å; K324-L341 HydrophobicContact CB-CD1 4.24Å; L329-L341 HydrophobicContact CD1-CD2 3.89Å
342L98Very high95Very high1 Ų143.9 Ų43.91%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-100.4129-177.3-64.6111000110.2F284 Y314 I315 T316 A317 L340 D347 M350 M351F284-L342 HydrophobicContact CD1-CD2 3.9Å; F284-L342 HydrophobicContact CD1-CG 4.28Å; F284-L342 HydrophobicContact CE1-CD2 3.8Å; Y314-L342 VanDerWaalsContact CB-CD1 3.49Å; Y314-L342 HydrophobicContact CD2-CD1 3.69Å; Y314-L342 HydrophobicContact CG-CD1 3.94Å; I315-L342 WeakPolarHBondContact O-CB 3.31Å; I315-L342 PolarHBondContact O-N 3.03Å; T316-L342 CarbonylContact C-O 3.53Å; T316-L342 WeakPolarHBondContact CA-O 3.43Å; T316-L342 HydrophobicContact CG2-CB 3.86Å; A317-L342 PolarHBondContact N-O 3.2Å; L340-L342 HydrophobicContact CB-CD1 4.01Å; L342-D347 WeakPolarHBondContact CA-OD2 3.48Å; L342-D347 HydrophobicContact CB-CB 3.68Å; L342-D347 WeakPolarHBondContact CB-OD2 3.28Å; L342-D347 HydrophobicContact CD2-CB 3.75Å; L342-D347 HydrophobicContact CG-CB 4.33Å; L342-M350 HydrophobicContact CD2-CE 3.84Å; L342-M351 HydrophobicContact CD2-CG 4.21Å; L342-M351 HydrophobicContact CD2-SD 4.14Å
343S96Very high95.1Very high30 Ų3047.6 Ų47.621%0.2122%0.218CC..  trans-146.24.4-175.156.80000114.7A317 Y320 D347A317-S343 VanDerWaalsContact O-CA 3.29Å; A317-S343 WeakPolarHBondContact O-CA 3.18Å; Y320-S343 PolarHBondContact N-OG 3.33Å; S343-D347 PolarHBondContact N-OD2 3.36Å
344D95.4Very high95.2Very high46 Ų4642.1 Ų42.125%0.24620%0.197CC..SBendtrans-79.4146.6168.8-62.7-47.1000109.5L262 K265 Q294 I346 D347L262-D344 HydrophobicContact CD2-CB 3.65Å; L262-D344 VanDerWaalsContact CD2-CG 3.44Å; K265-D344 IonicContact NZ-OD2 2.66Å; K265-D344 PolarHBondContact NZ-OD2 2.79Å; Q294-D344 PolarHBondContact NE2-OD2 2.85Å; D344-I346 HydrophobicContact CB-CG2 4.15Å; D344-I346 PolarHBondContact O-N 3.25Å; D344-D347 WeakPolarHBondContact CB-OD2 3.44Å; D344-D347 PolarHBondContact N-OD2 3.16Å; D344-D347 VanDerWaalsContact O-CB 3.25Å; D344-D347 WeakPolarHBondContact O-CB 3.46Å; D344-D347 PolarHBondContact O-N 3.1Å
345R91.3Very high95.3Very high232 Ų23239.9 Ų39.988%0.87520%0.195SC*.THydrogen-bonded Turntrans-57.9-28.1-178.4-66.6-177.6179.4178.6-0.4114D347R345-D347 VanDerWaalsContact C-N 3.32Å
346I93.2Very high95.5Very high30 Ų3041.4 Ų41.415%0.15420%0.203CC..THydrogen-bonded Turntrans-77.7-18.6179.6-166.8168.6000112.5L262 K265 E266 D344 E348 W349 M350L262-I346 HydrophobicContact CD2-CG2 4.24Å; L262-I346 WeakPolarHBondContact O-CD1 3.46Å; K265-I346 HydrophobicContact CB-CD1 3.94Å; K265-I346 HydrophobicContact CB-CG1 4.37Å; K265-I346 HydrophobicContact CB-CG2 3.83Å; K265-I346 HydrophobicContact CD-CG2 3.61Å; K265-I346 HydrophobicContact CG-CG2 4.37Å; E266-I346 HydrophobicContact CB-CD1 4.32Å; E266-I346 HydrophobicContact CG-CD1 3.4Å; D344-I346 HydrophobicContact CB-CG2 4.15Å; D344-I346 PolarHBondContact O-N 3.25Å; I346-E348 PolarHBondContact O-N 3.11Å; I346-W349 HydrophobicContact CD1-CE3 4.16Å; I346-W349 HydrophobicContact CD1-CZ3 4.09Å; I346-W349 HydrophobicContact CG1-CE3 3.71Å; I346-W349 HydrophobicContact CG1-CZ3 4.15Å; I346-W349 PolarHBondContact O-N 2.69Å; I346-M350 WeakPolarHBondContact O-CB 3.2Å; I346-M350 PolarHBondContact O-N 3.37Å
347D96.6Very high95.7Very high2 Ų239.9 Ų39.91%0.01118%0.184CC..Hα-helixtrans-63.5-47.6-167.7-73.9-25.3000112.7K265 T316 L342 S343 D344 R345 W349 M350 M351K265-D347 VanDerWaalsContact CD-OD1 3.3Å; K265-D347 WeakPolarHBondContact CD-OD1 3.47Å; K265-D347 WeakPolarHBondContact CE-OD1 3.37Å; K265-D347 IonicContact NZ-OD1 2.85Å; K265-D347 PolarHBondContact NZ-OD1 2.92Å; K265-D347 IonicContact NZ-OD2 3.67Å; T316-D347 HydrophobicContact CG2-CB 4.36Å; L342-D347 WeakPolarHBondContact CA-OD2 3.48Å; L342-D347 HydrophobicContact CB-CB 3.68Å; L342-D347 WeakPolarHBondContact CB-OD2 3.28Å; L342-D347 HydrophobicContact CD2-CB 3.75Å; L342-D347 HydrophobicContact CG-CB 4.33Å; S343-D347 PolarHBondContact N-OD2 3.36Å; D344-D347 WeakPolarHBondContact CB-OD2 3.44Å; D344-D347 PolarHBondContact N-OD2 3.16Å; D344-D347 VanDerWaalsContact O-CB 3.25Å; D344-D347 WeakPolarHBondContact O-CB 3.46Å; D344-D347 PolarHBondContact O-N 3.1Å; R345-D347 VanDerWaalsContact C-N 3.32Å; D347-W349 PolarHBondContact O-N 3.4Å; D347-M350 PolarHBondContact O-N 3.4Å; D347-M351 VanDerWaalsContact O-CG 3.3Å; D347-M351 WeakPolarHBondContact O-CG 3.29Å; D347-M351 PolarHBondContact O-N 3.04Å
348E93.7Very high95.7Very high14 Ų1445.1 Ų45.17%0.06521%0.212CC..Hα-helixtrans-59.1-40.6178.1-177.165.2-160.400111.4T316 I346 N352 S429 Q431 M432 L435T316-E348 WeakPolarHBondContact CB-OE2 3.32Å; T316-E348 HydrophobicContact CG2-CB 4.44Å; T316-E348 VanDerWaalsContact CG2-OE2 3.29Å; T316-E348 WeakPolarHBondContact CG2-OE2 3.32Å; T316-E348 PolarHBondContact OG1-OE2 3.12Å; I346-E348 PolarHBondContact O-N 3.11Å; E348-N352 PolarHBondContact O-ND2 3.05Å; E348-S429 VanDerWaalsContact CD-OG 3.27Å; E348-S429 WeakPolarHBondContact OE1-CB 3.22Å; E348-S429 PolarHBondContact OE1-OG 3.45Å; E348-Q431 HydrophobicContact CB-CB 4.19Å; E348-Q431 HydrophobicContact CG-CB 3.82Å; E348-M432 HydrophobicContact CG-CB 4.01Å; E348-M432 HydrophobicContact CG-SD 4.22Å; E348-L435 HydrophobicContact CB-CD1 3.76Å; E348-L435 HydrophobicContact CG-CD1 3.98Å
349W91.9Very high95.6Very high84 Ų8447 Ų4732%0.31824%0.236SC..Hα-helixtrans-67.3-46.9176.8176.772.9000111.4E266 A269 I346 D347 M351 N352 Y353E266-W349 HydrophobicContact CB-CZ3 4.33Å; E266-W349 HydrophobicContact CG-CZ3 4.36Å; A269-W349 HydrophobicContact CB-CH2 3.38Å; A269-W349 HydrophobicContact CB-CZ2 3.45Å; A269-W349 VanDerWaalsContact CB-CZ2 3.45Å; A269-W349 HydrophobicContact CB-CZ3 3.99Å; I346-W349 HydrophobicContact CD1-CE3 4.16Å; I346-W349 HydrophobicContact CD1-CZ3 4.09Å; I346-W349 HydrophobicContact CG1-CE3 3.71Å; I346-W349 HydrophobicContact CG1-CZ3 4.15Å; I346-W349 PolarHBondContact O-N 2.69Å; D347-W349 PolarHBondContact O-N 3.4Å; W349-M351 VanDerWaalsContact C-N 3.32Å; W349-M351 PolarHBondContact O-N 3.3Å; W349-N352 WeakPolarHBondContact O-CB 3.37Å; W349-N352 PolarHBondContact O-N 2.87Å; W349-N352 VanDerWaalsContact O-N 3.17Å; W349-Y353 AromaticContact CD1-CE2 3.88Å; W349-Y353 HydrophobicContact CD2-CE2 4.27Å; W349-Y353 AromaticContact CE2-CE2 3.68Å; W349-Y353 HydrophobicContact CG-CE2 4.4Å; W349-Y353 HydrophobicContact CZ2-CE2 4.13Å; W349-Y353 AromaticContact NE1-CE2 3.39Å; W349-Y353 AromaticContact NE1-CZ 3.96Å; W349-Y353 VanDerWaalsContact O-CD2 3.24Å; W349-Y353 WeakPolarHBondContact O-CD2 3.39Å
350M96.1Very high95.6Very high0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-57.2-43.3177.4177-168.967.400111.9K265 P268 L282 F284 L342 I346 D347 N352 Y353 L354K265-M350 HydrophobicContact CB-SD 3.74Å; K265-M350 HydrophobicContact CD-SD 4.16Å; K265-M350 HydrophobicContact CG-SD 3.62Å; K265-M350 WeakPolarHBondContact O-CG 3.48Å; P268-M350 HydrophobicContact CB-CG 4.36Å; P268-M350 HydrophobicContact CG-CG 3.99Å; P268-M350 HydrophobicContact CG-SD 4.44Å; L282-M350 HydrophobicContact CD1-SD 3.82Å; F284-M350 HydrophobicContact CE1-CE 4.01Å; L342-M350 HydrophobicContact CD2-CE 3.84Å; I346-M350 WeakPolarHBondContact O-CB 3.2Å; I346-M350 PolarHBondContact O-N 3.37Å; D347-M350 PolarHBondContact O-N 3.4Å; M350-N352 PolarHBondContact O-N 2.76Å; M350-Y353 PolarHBondContact O-N 2.75Å; M350-L354 PolarHBondContact O-N 3.02Å
351M95.5Very high95.5Very high10 Ų1052.4 Ų52.45%0.04926%0.264CS..Hα-helixtrans-65.7-18.1-178.4-69.9-46.7-55.600113.7Y314 L342 D347 W349 Y353 L354 F362Y314-M351 HydrophobicContact CD1-CE 3.84Å; Y314-M351 HydrophobicContact CD2-CG 4.2Å; Y314-M351 HydrophobicContact CE1-CE 3.65Å; Y314-M351 HydrophobicContact CE2-CB 4.08Å; Y314-M351 HydrophobicContact CE2-CE 4.4Å; Y314-M351 HydrophobicContact CE2-CG 3.82Å; Y314-M351 HydrophobicContact CG-CE 4.29Å; L342-M351 HydrophobicContact CD2-CG 4.21Å; L342-M351 HydrophobicContact CD2-SD 4.14Å; D347-M351 VanDerWaalsContact O-CG 3.3Å; D347-M351 WeakPolarHBondContact O-CG 3.29Å; D347-M351 PolarHBondContact O-N 3.04Å; W349-M351 VanDerWaalsContact C-N 3.32Å; W349-M351 PolarHBondContact O-N 3.3Å; M351-Y353 PolarHBondContact O-N 2.94Å; M351-L354 HydrophobicContact SD-CD2 4.25Å; M351-F362 HydrophobicContact CE-CB 3.56Å; M351-F362 HydrophobicContact CE-CD1 3.45Å; M351-F362 VanDerWaalsContact CE-CD1 3.45Å; M351-F362 HydrophobicContact CE-CD2 4.08Å; M351-F362 HydrophobicContact CE-CE1 4.08Å; M351-F362 HydrophobicContact CE-CG 3.43Å; M351-F362 VanDerWaalsContact CE-CG 3.43Å
352N91.9Very high95.5Very high80 Ų8053.3 Ų53.343%0.42827%0.269SS..THydrogen-bonded Turntrans-72.2-17.4171.1-69.6-53.9000113.3E348 W349 M350E348-N352 PolarHBondContact O-ND2 3.05Å; W349-N352 WeakPolarHBondContact O-CB 3.37Å; W349-N352 PolarHBondContact O-N 2.87Å; W349-N352 VanDerWaalsContact O-N 3.17Å; M350-N352 PolarHBondContact O-N 2.76Å
353Y95.7Very high95.4Very high82 Ų8254.2 Ų54.232%0.32227%0.273SS..THydrogen-bonded Turntrans-110.1-30.1179.7-60.4-90.8000112.5A269 F272 Q275 W349 M350 M351 T355A269-Y353 HydrophobicContact CB-CD1 3.84Å; A269-Y353 HydrophobicContact CB-CD2 3.38Å; A269-Y353 HydrophobicContact CB-CE1 4.08Å; A269-Y353 HydrophobicContact CB-CE2 3.68Å; A269-Y353 HydrophobicContact CB-CG 3.47Å; A269-Y353 VanDerWaalsContact CB-CG 3.47Å; F272-Y353 HydrophobicContact CE1-CD1 4.02Å; F272-Y353 AromaticContact CZ-CD1 3.75Å; F272-Y353 HydrophobicContact CZ-CD1 3.75Å; F272-Y353 HydrophobicContact CZ-CE1 4.2Å; Q275-Y353 PolarHBondContact NE2-O 3Å; W349-Y353 AromaticContact CD1-CE2 3.88Å; W349-Y353 HydrophobicContact CD2-CE2 4.27Å; W349-Y353 AromaticContact CE2-CE2 3.68Å; W349-Y353 HydrophobicContact CG-CE2 4.4Å; W349-Y353 HydrophobicContact CZ2-CE2 4.13Å; W349-Y353 AromaticContact NE1-CE2 3.39Å; W349-Y353 AromaticContact NE1-CZ 3.96Å; W349-Y353 VanDerWaalsContact O-CD2 3.24Å; W349-Y353 WeakPolarHBondContact O-CD2 3.39Å; M350-Y353 PolarHBondContact O-N 2.75Å; M351-Y353 PolarHBondContact O-N 2.94Å; Y353-T355 PolarHBondContact O-N 2.9Å
354L96.8Very high95.4Very high1 Ų153 Ų531%0.00526%0.264CS..  trans-84.981.9175.4-17465.2000110.3P268 Q275 A279 L282 M350 M351 F362P268-L354 HydrophobicContact CB-CB 4.22Å; Q275-L354 HydrophobicContact CG-CD1 4.45Å; A279-L354 HydrophobicContact CB-CD1 3.78Å; L282-L354 HydrophobicContact CD1-CD2 3.79Å; M350-L354 PolarHBondContact O-N 3.02Å; M351-L354 HydrophobicContact SD-CD2 4.25Å; L354-F362 HydrophobicContact CD1-CE2 4.19Å; L354-F362 HydrophobicContact CD2-CE2 3.94Å; L354-F362 HydrophobicContact CD2-CZ 3.84Å; L354-F362 HydrophobicContact CG-CD2 4.15Å; L354-F362 HydrophobicContact CG-CE2 3.6Å; L354-F362 HydrophobicContact CG-CZ 4.05Å; L354-F362 VanDerWaalsContact O-CD2 3.24Å; L354-F362 WeakPolarHBondContact O-CD2 3.35Å
355T94.3Very high95.4Very high82 Ų8250.8 Ų50.850%0.50325%0.252SS..  trans-83.1-31.4-171.255.40000114.2Y353 P361 F362Y353-T355 PolarHBondContact O-N 2.9Å; T355-P361 WeakPolarHBondContact O-CA 3.34Å; T355-F362 PolarHBondContact O-N 2.9Å
356E97.2Very high95.6Very high107 Ų10740 Ų4050%0.521%0.212SC..EExtended strand (participates in β ladder)trans-151.7162.6-179.664.2178.5-144.800112.5K360E356-K360 CarbonylContact C-O 3.54Å; E356-K360 VanDerWaalsContact CA-O 3.23Å; E356-K360 WeakPolarHBondContact CA-O 3.3Å; E356-K360 WeakPolarHBondContact CB-O 3.24Å
357F98Very high95.6Very high10 Ų1040.4 Ų40.44%0.04421%0.213CC..EExtended strand (participates in β ladder)trans-145.1131.6171.1178.6-95.6000109.5A279 K280 L298 E299 V302 I312 G359 K360 F362A279-F357 HydrophobicContact CB-CD2 3.75Å; A279-F357 HydrophobicContact CB-CE2 4.13Å; K280-F357 HydrophobicContact CG-CE2 3.67Å; K280-F357 HydrophobicContact CG-CZ 3.99Å; L298-F357 HydrophobicContact CB-CD1 3.52Å; L298-F357 HydrophobicContact CB-CD2 4.05Å; L298-F357 HydrophobicContact CB-CE1 3.44Å; L298-F357 VanDerWaalsContact CB-CE1 3.44Å; L298-F357 HydrophobicContact CB-CE2 3.97Å; L298-F357 HydrophobicContact CB-CG 3.83Å; L298-F357 HydrophobicContact CB-CZ 3.68Å; L298-F357 HydrophobicContact CD1-CB 3.99Å; L298-F357 HydrophobicContact CD1-CD1 4.25Å; L298-F357 HydrophobicContact CD1-CD2 3.54Å; L298-F357 HydrophobicContact CD1-CE2 4.02Å; L298-F357 HydrophobicContact CD1-CG 3.65Å; L298-F357 HydrophobicContact CG-CD1 4.45Å; L298-F357 HydrophobicContact CG-CD2 4.45Å; L298-F357 HydrophobicContact CG-CG 4.33Å; E299-F357 HydrophobicContact CG-CE1 4.22Å; E299-F357 HydrophobicContact CG-CZ 3.78Å; V302-F357 HydrophobicContact CG2-CD1 3.86Å; V302-F357 HydrophobicContact CG2-CE1 4.07Å; I312-F357 HydrophobicContact CD1-CB 3.88Å; I312-F357 HydrophobicContact CD1-CD1 4.29Å; F357-G359 PolarHBondContact O-N 3.21Å; F357-K360 PolarHBondContact N-O 3.26Å; F357-K360 WeakPolarHBondContact O-CB 3.49Å; F357-K360 PolarHBondContact O-N 3.06Å; F357-F362 HydrophobicContact CB-CE2 3.82Å; F357-F362 HydrophobicContact CB-CZ 3.98Å
358D95.7Very high95.4Very high119 Ų11941.3 Ų41.364%0.63622%0.219SC*.THydrogen-bonded Turntrans51.339.6-177.4-16230.7000113.2K360D358-K360 PolarHBondContact O-N 3.18Å
359G95.4Very high95.3Very high56 Ų5641.9 Ų41.958%0.57722%0.222SC*.THydrogen-bonded Turntrans70.96.4-176.600000115.3F357F357-G359 PolarHBondContact O-N 3.21Å
360K97.2Very high95Very high63 Ų6344 Ų4427%0.27424%0.235SC..EExtended strand (participates in β ladder)trans-100.7118.7177-56.8-65.6-171.7157.40109.9M305 Q309 E310 I312 E356 F357 D358M305-K360 HydrophobicContact CE-CD 4.02Å; M305-K360 HydrophobicContact CE-CG 4.26Å; M305-K360 HydrophobicContact SD-CD 4.46Å; M305-K360 HydrophobicContact SD-CG 4.19Å; Q309-K360 PolarHBondContact O-NZ 2.91Å; E310-K360 VanDerWaalsContact O-CD 3.31Å; E310-K360 WeakPolarHBondContact O-CD 3.46Å; I312-K360 HydrophobicContact CD1-CB 4.12Å; I312-K360 HydrophobicContact CG1-CB 3.95Å; E356-K360 CarbonylContact C-O 3.54Å; E356-K360 VanDerWaalsContact CA-O 3.23Å; E356-K360 WeakPolarHBondContact CA-O 3.3Å; E356-K360 WeakPolarHBondContact CB-O 3.24Å; F357-K360 PolarHBondContact N-O 3.26Å; F357-K360 WeakPolarHBondContact O-CB 3.49Å; F357-K360 PolarHBondContact O-N 3.06Å; D358-K360 PolarHBondContact O-N 3.18Å
361P97.3Very high94.6Very high50 Ų5044.6 Ų44.633%0.32524%0.24SC..EExtended strand (participates in β ladder)trans-71.2149.5178.229.6-34.2000111.2K311 I312 T355K311-P361 WeakPolarHBondContact CA-O 3.18Å; K311-P361 WeakPolarHBondContact CB-O 3.49Å; K311-P361 HydrophobicContact CD-CG 4.13Å; K311-P361 HydrophobicContact CG-CG 3.93Å; I312-P361 PolarHBondContact N-O 3.34Å; T355-P361 WeakPolarHBondContact O-CA 3.34Å
362F97.4Very high94.1Very high21 Ų2144.4 Ų44.49%0.09224%0.239CC..EExtended strand (participates in β ladder)trans-81.2138.5171.4-73.9-88.5000111L298 I312 Y314 L340 M351 L354 T355 F357L298-F362 HydrophobicContact CD1-CZ 3.84Å; L298-F362 HydrophobicContact CD2-CE1 3.84Å; L298-F362 HydrophobicContact CD2-CZ 3.73Å; L298-F362 HydrophobicContact CG-CZ 4.45Å; I312-F362 HydrophobicContact CB-CD1 3.78Å; I312-F362 HydrophobicContact CB-CE1 3.96Å; I312-F362 HydrophobicContact CB-CG 4.38Å; I312-F362 HydrophobicContact CD1-CE1 4.09Å; I312-F362 HydrophobicContact CD1-CE2 4.45Å; I312-F362 HydrophobicContact CD1-CZ 4.01Å; I312-F362 HydrophobicContact CG2-CD1 3.57Å; I312-F362 HydrophobicContact CG2-CE1 3.46Å; I312-F362 VanDerWaalsContact CG2-CE1 3.46Å; I312-F362 HydrophobicContact CG2-CZ 4.4Å; I312-F362 CarbonylContact O-C 3.56Å; I312-F362 WeakPolarHBondContact O-CA 3.16Å; Y314-F362 HydrophobicContact CD1-CB 3.97Å; Y314-F362 HydrophobicContact CD1-CD1 4.24Å; Y314-F362 HydrophobicContact CE1-CB 3.8Å; L340-F362 HydrophobicContact CD1-CE1 4.06Å; M351-F362 HydrophobicContact CE-CB 3.56Å; M351-F362 HydrophobicContact CE-CD1 3.45Å; M351-F362 VanDerWaalsContact CE-CD1 3.45Å; M351-F362 HydrophobicContact CE-CD2 4.08Å; M351-F362 HydrophobicContact CE-CE1 4.08Å; M351-F362 HydrophobicContact CE-CG 3.43Å; M351-F362 VanDerWaalsContact CE-CG 3.43Å; L354-F362 HydrophobicContact CD1-CE2 4.19Å; L354-F362 HydrophobicContact CD2-CE2 3.94Å; L354-F362 HydrophobicContact CD2-CZ 3.84Å; L354-F362 HydrophobicContact CG-CD2 4.15Å; L354-F362 HydrophobicContact CG-CE2 3.6Å; L354-F362 HydrophobicContact CG-CZ 4.05Å; L354-F362 VanDerWaalsContact O-CD2 3.24Å; L354-F362 WeakPolarHBondContact O-CD2 3.35Å; T355-F362 PolarHBondContact O-N 2.9Å; F357-F362 HydrophobicContact CB-CE2 3.82Å; F357-F362 HydrophobicContact CB-CZ 3.98Å
363Q96.4Very high93.6Very high19 Ų1944.6 Ų44.69%0.08924%0.237CC..EExtended strand (participates in β ladder)trans-131.3120.1-180-179.959.755.600111.1K311 I312 Y313 Y314 V365 D369 L372K311-Q363 HydrophobicContact CB-CB 4.08Å; K311-Q363 HydrophobicContact CD-CB 3.73Å; K311-Q363 HydrophobicContact CD-CG 4.16Å; I312-Q363 PolarHBondContact O-N 3.37Å; Y313-Q363 WeakPolarHBondContact CA-O 3.48Å; Y313-Q363 HydrophobicContact CD1-CB 3.82Å; Y313-Q363 HydrophobicContact CD1-CG 3.97Å; Y313-Q363 HydrophobicContact CE1-CB 4.01Å; Y313-Q363 HydrophobicContact CE1-CG 3.97Å; Y314-Q363 VanDerWaalsContact CD1-O 3.3Å; Y314-Q363 WeakPolarHBondContact CD1-O 3.37Å; Y314-Q363 PolarHBondContact N-O 3.35Å; Q363-V365 PolarHBondContact O-N 3.36Å; Q363-D369 VanDerWaalsContact CD-CB 3.46Å; Q363-D369 HydrophobicContact CG-CB 4.1Å; Q363-D369 PolarHBondContact OE1-OD2 2.54Å; Q363-L372 HydrophobicContact CG-CD1 4.4Å
364S96.4Very high93Very high4 Ų447.8 Ų47.83%0.02825%0.253CS..EExtended strand (participates in β ladder)trans-70130.5169.2178.80000109.6Y314 S366 K367Y314-S364 CarbonylContact O-C 3.52Å; Y314-S364 WeakPolarHBondContact O-CA 3.41Å; S364-S366 VanDerWaalsContact C-N 3.26Å; S364-S366 PolarHBondContact O-N 3.43Å; S364-S366 PolarHBondContact OG-N 2.96Å; S364-S366 PolarHBondContact OG-OG 3.2Å; S364-K367 PolarHBondContact O-N 3.17Å
365V95.9Very high92.3Very high1 Ų149.2 Ų49.21%0.00626%0.26CS..THydrogen-bonded Turntrans-73.8-17.9177.7-57.50000113Y313 Y314 I315 H328 L329 L332 V339 Q363 K367 L372 R413Y313-V365 HydrophobicContact CD1-CG1 4.39Å; Y313-V365 HydrophobicContact CG-CG1 4.46Å; Y314-V365 WeakPolarHBondContact O-CG2 3.4Å; Y314-V365 PolarHBondContact O-N 3.1Å; I315-V365 HydrophobicContact CB-CG2 3.69Å; I315-V365 HydrophobicContact CD1-CG2 4Å; I315-V365 HydrophobicContact CG1-CG2 4.04Å; H328-V365 HydrophobicContact CB-CB 4.27Å; H328-V365 HydrophobicContact CB-CG2 3.74Å; L329-V365 HydrophobicContact CD2-CG2 4.21Å; L332-V365 HydrophobicContact CD1-CB 4.13Å; L332-V365 HydrophobicContact CD1-CG1 3.38Å; V339-V365 HydrophobicContact CG1-CG1 4.01Å; Q363-V365 PolarHBondContact O-N 3.36Å; V365-K367 VanDerWaalsContact C-N 3.32Å; V365-L372 HydrophobicContact CG1-CD2 4.49Å; V365-R413 PolarHBondContact O-NH1 2.97Å
366S94Very high91.4Very high4 Ų446.5 Ų46.53%0.02825%0.246CC..THydrogen-bonded Turntrans-82.8-9.5174.863.20000113.4S364 S422 T423S364-S366 VanDerWaalsContact C-N 3.26Å; S364-S366 PolarHBondContact O-N 3.43Å; S364-S366 PolarHBondContact OG-N 2.96Å; S364-S366 PolarHBondContact OG-OG 3.2Å; S366-S422 VanDerWaalsContact O-CA 3.25Å; S366-S422 WeakPolarHBondContact O-CA 3.35Å; S366-S422 WeakPolarHBondContact O-CB 3.3Å; S366-S422 PolarHBondContact O-OG 3.42Å; S366-T423 PolarHBondContact O-N 2.93Å
367K94.2Very high90.3Very high40 Ų4045.3 Ų45.317%0.17424%0.243CC..BIsolated β-bridgetrans-95.4145.9173.8-71.2-168.1164.4-161.30111.3S364 V365 D369 T423 A425 E427S364-K367 PolarHBondContact O-N 3.17Å; V365-K367 VanDerWaalsContact C-N 3.32Å; K367-D369 PolarHBondContact O-N 2.86Å; K367-T423 WeakPolarHBondContact CA-O 3.29Å; K367-A425 PolarHBondContact NZ-O 3.19Å; K367-E427 WeakPolarHBondContact CE-O 3.48Å; K367-E427 PolarHBondContact NZ-O 3.29Å
368V91.5Very high88.9Confident21 Ų2154.2 Ų54.213%0.12729%0.285CS..  trans-63.8131.8170.4176.90000109.5T423 I449V368-T423 PolarHBondContact N-O 3.3Å; V368-I449 HydrophobicContact CG2-CD1 3.61Å
369D91.5Very high87.5Confident25 Ų2550.5 Ų50.513%0.13427%0.266CS..  trans-157.5136.3176.5-176-114.5000111.1K311 Q363 K367 S371 L372 E373K311-D369 IonicContact NZ-OD1 3.78Å; K311-D369 PolarHBondContact NZ-OD1 2.96Å; K311-D369 IonicContact NZ-OD2 3.25Å; K311-D369 PolarHBondContact NZ-OD2 3.06Å; Q363-D369 VanDerWaalsContact CD-CB 3.46Å; Q363-D369 HydrophobicContact CG-CB 4.1Å; Q363-D369 PolarHBondContact OE1-OD2 2.54Å; K367-D369 PolarHBondContact O-N 2.86Å; D369-S371 PolarHBondContact O-N 2.94Å; D369-S371 WeakPolarHBondContact OD1-CB 3.43Å; D369-S371 PolarHBondContact OD1-N 3.48Å; D369-S371 PolarHBondContact OD1-OG 3.27Å; D369-L372 HydrophobicContact CB-CD1 4.22Å; D369-L372 HydrophobicContact CB-CG 4.4Å; D369-L372 PolarHBondContact O-N 3.09Å; D369-L372 VanDerWaalsContact O-N 3.09Å; D369-E373 PolarHBondContact O-N 2.65Å
370E87.3Confident86.5Confident129 Ų12952.1 Ų52.160%0.60326%0.262SS*.Hα-helixtrans-60.3-30.6-179.4-67.1-172.8-177.500112.8L372 E373 K374E370-L372 VanDerWaalsContact C-N 3.25Å; E370-L372 PolarHBondContact O-N 3.41Å; E370-E373 PolarHBondContact O-N 3.19Å; E370-K374 VanDerWaalsContact O-CG 3.31Å; E370-K374 WeakPolarHBondContact O-CG 3.4Å; E370-K374 PolarHBondContact O-N 3.32Å; E370-K374 IonicContact OE2-NZ 2.65Å; E370-K374 PolarHBondContact OE2-NZ 3.44Å
371S86.8Confident85.5Confident13 Ų1357 Ų579%0.09129%0.285CS..Hα-helixtrans-66.9-30.7179.879.30000111.6Y313 D369 L375Y313-S371 PolarHBondContact OH-OG 2.79Å; D369-S371 PolarHBondContact O-N 2.94Å; D369-S371 WeakPolarHBondContact OD1-CB 3.43Å; D369-S371 PolarHBondContact OD1-N 3.48Å; D369-S371 PolarHBondContact OD1-OG 3.27Å; S371-L375 WeakPolarHBondContact O-CG 3.39Å
372L86.1Confident84.2Confident5 Ų558.3 Ų58.33%0.02630%0.296CS..Hα-helixtrans-73.7-36.3175.6-65.7170.8000111.4Y313 L332 Q363 V365 D369 E370 L375Y313-L372 HydrophobicContact CD1-CD2 3.68Å; Y313-L372 HydrophobicContact CE1-CD2 3.41Å; Y313-L372 VanDerWaalsContact CE1-CD2 3.41Å; Y313-L372 HydrophobicContact CE1-CG 4.05Å; Y313-L372 HydrophobicContact CG-CD2 4.46Å; L332-L372 HydrophobicContact CD1-CD2 4.18Å; L332-L372 HydrophobicContact CD2-CD2 4.28Å; Q363-L372 HydrophobicContact CG-CD1 4.4Å; V365-L372 HydrophobicContact CG1-CD2 4.49Å; D369-L372 HydrophobicContact CB-CD1 4.22Å; D369-L372 HydrophobicContact CB-CG 4.4Å; D369-L372 PolarHBondContact O-N 3.09Å; D369-L372 VanDerWaalsContact O-N 3.09Å; E370-L372 VanDerWaalsContact C-N 3.25Å; E370-L372 PolarHBondContact O-N 3.41Å; L372-L375 HydrophobicContact CD2-CD1 4.43Å; L372-L375 WeakPolarHBondContact O-CB 3.28Å; L372-L375 PolarHBondContact O-N 2.98Å
373E80Confident83.1Confident85 Ų8558.3 Ų58.340%0.39730%0.3SS..Hα-helixtrans-67.6-39177.3-64.9-178.1178.600111.5D369 E370 L375 A376 R409D369-E373 PolarHBondContact O-N 2.65Å; E370-E373 PolarHBondContact O-N 3.19Å; E373-L375 PolarHBondContact O-N 2.98Å; E373-A376 WeakPolarHBondContact O-CB 3.31Å; E373-A376 PolarHBondContact O-N 3.32Å; E373-A376 VanDerWaalsContact O-N 3.13Å; E373-R409 IonicContact OE1-CZ 3.44Å; E373-R409 IonicContact OE1-NH1 3.37Å; E373-R409 PolarHBondContact OE1-NH1 3.01Å; E373-R409 IonicContact OE1-NH2 3.74Å; E373-R409 PolarHBondContact OE1-NH2 2.52Å
374K83.8Confident82.3Confident148 Ų14862.7 Ų62.764%0.64332%0.318SS*.THydrogen-bonded Turntrans-66.2-15.2175.5-70.3169.9-169.8165.50114E370E370-K374 VanDerWaalsContact O-CG 3.31Å; E370-K374 WeakPolarHBondContact O-CG 3.4Å; E370-K374 PolarHBondContact O-N 3.32Å; E370-K374 IonicContact OE2-NZ 2.65Å; E370-K374 PolarHBondContact OE2-NZ 3.44Å
375L82.8Confident81.4Confident32 Ų3269.2 Ų69.217%0.16835%0.348CS..THydrogen-bonded Turntrans-82.5-15175.3-67.9173.3000113Y313 L331 L332 K335 I337 S371 L372 E373Y313-L375 HydrophobicContact CE2-CD1 3.94Å; L331-L375 HydrophobicContact CD2-CB 4.12Å; L332-L375 HydrophobicContact CD2-CD1 3.63Å; K335-L375 WeakPolarHBondContact CE-O 3.3Å; I337-L375 HydrophobicContact CD1-CD1 3.65Å; I337-L375 HydrophobicContact CD1-CD2 3.52Å; I337-L375 HydrophobicContact CD1-CG 4.14Å; S371-L375 WeakPolarHBondContact O-CG 3.39Å; L372-L375 HydrophobicContact CD2-CD1 4.43Å; L372-L375 WeakPolarHBondContact O-CB 3.28Å; L372-L375 PolarHBondContact O-N 2.98Å; E373-L375 PolarHBondContact O-N 2.98Å
376A74.2Confident80.4Confident24 Ų2470.9 Ų70.920%0.19836%0.363CS..SBendtrans-63.7147.5172.300000109.7L331 E373 H412L331-A376 HydrophobicContact CD2-CB 4.38Å; E373-A376 WeakPolarHBondContact O-CB 3.31Å; E373-A376 PolarHBondContact O-N 3.32Å; E373-A376 VanDerWaalsContact O-N 3.13Å; A376-H412 HydrophobicContact CB-CB 4.15Å
377D74.5Confident79.9Confident83 Ų8373.8 Ų73.844%0.44438%0.376SS..PPolyproline II helixtrans-55.9146.4170.9-68.8-52.7000109.4K334 K335 V379K334-D377 IonicContact NZ-OD2 3.32Å; K334-D377 PolarHBondContact NZ-OD2 3.24Å; K334-D377 VanDerWaalsContact NZ-OD2 3.09Å; K335-D377 VanDerWaalsContact NZ-CG 3.35Å; K335-D377 IonicContact NZ-OD1 2.91Å; K335-D377 PolarHBondContact NZ-OD1 3.41Å; K335-D377 IonicContact NZ-OD2 3.77Å; D377-V379 PolarHBondContact O-N 2.99Å
378E68.9Low79.4Confident196 Ų19679.3 Ų79.392%0.91640%0.4SS*.PPolyproline II helixtrans-53.1121.8172.3-81.9-167.9166.300108.9D380E378-D380 PolarHBondContact O-N 2.93Å
379V64.9Low79.1Confident41 Ų4181.9 Ų81.925%0.24842%0.423CS..  trans-63.2107.9179.7-170.50000107.7D377 A383 K384D377-V379 PolarHBondContact O-N 2.99Å; V379-A383 HydrophobicContact CG1-CB 3.35Å; V379-K384 HydrophobicContact CB-CG 4.32Å; V379-K384 HydrophobicContact CG1-CG 3.81Å; V379-K384 VanDerWaalsContact O-CE 3.3Å; V379-K384 WeakPolarHBondContact O-CE 3.35Å; V379-K384 PolarHBondContact O-NZ 2.92Å
380D75.8Confident79Confident91 Ų9181.7 Ų81.749%0.48742%0.422SS..  trans-63167.5177.870.928.8000111.1E378 S382 A383 K384E378-D380 PolarHBondContact O-N 2.93Å; D380-S382 PolarHBondContact O-N 3.46Å; D380-S382 WeakPolarHBondContact OD1-CA 3.45Å; D380-S382 WeakPolarHBondContact OD1-CB 3.46Å; D380-S382 PolarHBondContact OD1-N 3.46Å; D380-S382 PolarHBondContact OD1-OG 3.41Å; D380-S382 PolarHBondContact OD2-OG 2.81Å; D380-A383 PolarHBondContact O-N 3.44Å; D380-A383 PolarHBondContact OD1-N 2.85Å; D380-K384 PolarHBondContact O-N 2.99Å
381E75Confident79.1Confident165 Ų16578.9 Ų78.977%0.77141%0.414SS*.Hα-helixtrans-57.7-31.7-179.6-73.5-167.7152.900112.4K384 E385E381-K384 PolarHBondContact O-N 3.44Å; E381-E385 WeakPolarHBondContact O-CG 3.33Å; E381-E385 PolarHBondContact O-N 2.85Å
382S71.7Confident79.4Confident78 Ų7882.3 Ų82.355%0.54544%0.436SS..Hα-helixtrans-71-39.4-179.778.90000112.4D380 E385 A386D380-S382 PolarHBondContact O-N 3.46Å; D380-S382 WeakPolarHBondContact OD1-CA 3.45Å; D380-S382 WeakPolarHBondContact OD1-CB 3.46Å; D380-S382 PolarHBondContact OD1-N 3.46Å; D380-S382 PolarHBondContact OD1-OG 3.41Å; D380-S382 PolarHBondContact OD2-OG 2.81Å; S382-E385 PolarHBondContact O-N 2.78Å; S382-A386 WeakPolarHBondContact O-CB 3.32Å; S382-A386 PolarHBondContact O-N 2.66Å
383A73.6Confident79.8Confident21 Ų2182.7 Ų82.717%0.17444%0.437CS..Hα-helixtrans-70.6-35.2175.500000111.3V379 D380 E385 A386 E387V379-A383 HydrophobicContact CG1-CB 3.35Å; D380-A383 PolarHBondContact O-N 3.44Å; D380-A383 PolarHBondContact OD1-N 2.85Å; A383-E385 VanDerWaalsContact C-N 3.34Å; A383-E385 PolarHBondContact O-N 3.27Å; A383-A386 PolarHBondContact O-N 3.17Å; A383-E387 WeakPolarHBondContact O-CG 3.41Å; A383-E387 PolarHBondContact O-N 3.35Å
384K78.8Confident80.5Confident110 Ų11079.3 Ų79.348%0.47842%0.422SS..Hα-helixtrans-64-37.5170.8-74.2174.8-177.5158.40112.7V379 D380 E381 K388V379-K384 HydrophobicContact CB-CG 4.32Å; V379-K384 HydrophobicContact CG1-CG 3.81Å; V379-K384 VanDerWaalsContact O-CE 3.3Å; V379-K384 WeakPolarHBondContact O-CE 3.35Å; V379-K384 PolarHBondContact O-NZ 2.92Å; D380-K384 PolarHBondContact O-N 2.99Å; E381-K384 PolarHBondContact O-N 3.44Å; K384-K388 WeakPolarHBondContact O-CG 3.34Å; K384-K388 PolarHBondContact O-N 3.33Å; K384-K388 VanDerWaalsContact O-N 3.16Å
385E77.7Confident81.1Confident141 Ų14176.6 Ų76.666%0.65941%0.414SS*.Hα-helixtrans-67.9-41.5173.3-75.5-174166.700111.5E381 S382 A383 K388 A389E381-E385 WeakPolarHBondContact O-CG 3.33Å; E381-E385 PolarHBondContact O-N 2.85Å; S382-E385 PolarHBondContact O-N 2.78Å; A383-E385 VanDerWaalsContact C-N 3.34Å; A383-E385 PolarHBondContact O-N 3.27Å; E385-K388 PolarHBondContact O-N 3.19Å; E385-A389 WeakPolarHBondContact O-CB 3.42Å; E385-A389 PolarHBondContact O-N 2.99Å
386A76.4Confident81.7Confident37 Ų3777.8 Ų77.831%0.30642%0.417SS..Hα-helixtrans-62.3-42.2175.400000112.3S382 A383 A389 L390S382-A386 WeakPolarHBondContact O-CB 3.32Å; S382-A386 PolarHBondContact O-N 2.66Å; A383-A386 PolarHBondContact O-N 3.17Å; A386-A389 PolarHBondContact O-N 2.98Å; A386-L390 WeakPolarHBondContact O-CG 3.49Å; A386-L390 PolarHBondContact O-N 3.31Å
387E82.6Confident82.8Confident64 Ų6476.7 Ų76.730%0.29941%0.407SS..Hα-helixtrans-59.3-47.6173.6-76.7-178.1172.800111.9A383 A389 L390 T391 L410 H412A383-E387 WeakPolarHBondContact O-CG 3.41Å; A383-E387 PolarHBondContact O-N 3.35Å; E387-A389 VanDerWaalsContact C-N 3.27Å; E387-A389 PolarHBondContact O-N 2.85Å; E387-L390 CarbonylContact O-C 3.53Å; E387-L390 PolarHBondContact O-N 2.92Å; E387-T391 PolarHBondContact O-N 3.37Å; E387-T391 PolarHBondContact O-OG1 3.2Å; E387-L410 HydrophobicContact CB-CD1 4.08Å; E387-L410 HydrophobicContact CG-CD1 3.85Å; E387-H412 IonicContact OE1-CD2 2.78Å; E387-H412 IonicContact OE1-CE1 2.67Å; E387-H412 IonicContact OE1-NE2 3.59Å; E387-H412 PolarHBondContact OE1-NE2 3.49Å
388K84.5Confident83.9Confident157 Ų15776.5 Ų76.568%0.68340%0.403SS*.Hα-helixtrans-61.6-36.8177.1-74.5174.9-177.2173.70112.2K384 E385 L390 T391K384-K388 WeakPolarHBondContact O-CG 3.34Å; K384-K388 PolarHBondContact O-N 3.33Å; K384-K388 VanDerWaalsContact O-N 3.16Å; E385-K388 PolarHBondContact O-N 3.19Å; K388-L390 VanDerWaalsContact C-N 3.27Å; K388-L390 PolarHBondContact O-N 3.19Å; K388-T391 PolarHBondContact O-N 2.81Å; K388-T391 PolarHBondContact O-OG1 3.23Å
389A85Confident85.1Confident75 Ų7571.3 Ų71.362%0.6239%0.393SS*.Hα-helixtrans-68-29.117600000112.2E385 A386 E387 P392E385-A389 WeakPolarHBondContact O-CB 3.42Å; E385-A389 PolarHBondContact O-N 2.99Å; A386-A389 PolarHBondContact O-N 2.98Å; E387-A389 VanDerWaalsContact C-N 3.27Å; E387-A389 PolarHBondContact O-N 2.85Å; A389-P392 WeakPolarHBondContact O-CD 3.45Å
390L89.3Confident86.6Confident20 Ų2072.3 Ų72.311%0.10540%0.397CS..Hα-helixtrans-89.3-7178-70.9172.7000114A386 E387 K388 F393 I394 L410 P454 A463A386-L390 WeakPolarHBondContact O-CG 3.49Å; A386-L390 PolarHBondContact O-N 3.31Å; E387-L390 CarbonylContact O-C 3.53Å; E387-L390 PolarHBondContact O-N 2.92Å; K388-L390 VanDerWaalsContact C-N 3.27Å; K388-L390 PolarHBondContact O-N 3.19Å; L390-F393 HydrophobicContact CD2-CB 4.26Å; L390-F393 HydrophobicContact CD2-CD1 4.02Å; L390-F393 HydrophobicContact CD2-CG 4.38Å; L390-F393 WeakPolarHBondContact O-CA 2.91Å; L390-F393 VanDerWaalsContact O-CB 3.3Å; L390-F393 WeakPolarHBondContact O-CB 3.43Å; L390-F393 PolarHBondContact O-N 3.43Å; L390-I394 PolarHBondContact O-N 2.92Å; L390-L410 HydrophobicContact CB-CD1 3.93Å; L390-L410 HydrophobicContact CD1-CD1 4.17Å; L390-L410 HydrophobicContact CD1-CD2 4.15Å; L390-P454 HydrophobicContact CD1-CB 3.53Å; L390-A463 HydrophobicContact CD2-CB 3.61Å
391T89.5Confident87.6Confident70 Ų7068.1 Ų68.143%0.42937%0.374SS..Hα-helixtrans-52.4-47.3176-51.70000113E387 K388 F393 I394 D395E387-T391 PolarHBondContact O-N 3.37Å; E387-T391 PolarHBondContact O-OG1 3.2Å; K388-T391 PolarHBondContact O-N 2.81Å; K388-T391 PolarHBondContact O-OG1 3.23Å; T391-F393 VanDerWaalsContact C-N 3.27Å; T391-F393 PolarHBondContact O-N 3.29Å; T391-I394 PolarHBondContact O-N 2.92Å; T391-D395 PolarHBondContact O-N 3.19Å
392P91.9Very high88.5Confident86 Ų8662.3 Ų62.356%0.55836%0.359SS*.Hα-helixtrans-62.9-33.2176.7-21.134.2000113.1A389 R396A389-P392 WeakPolarHBondContact O-CD 3.45Å; P392-R396 WeakPolarHBondContact O-CB 3.31Å; P392-R396 PolarHBondContact O-N 3.45Å
393F94.3Very high89.4Confident12 Ų1266.3 Ų66.35%0.05337%0.369CS..Hα-helixtrans-64.7-48.3174.4163.3-110.7000110.6L390 T391 D395 R396 V397 L452 V459 A462 A463 F471L390-F393 HydrophobicContact CD2-CB 4.26Å; L390-F393 HydrophobicContact CD2-CD1 4.02Å; L390-F393 HydrophobicContact CD2-CG 4.38Å; L390-F393 WeakPolarHBondContact O-CA 2.91Å; L390-F393 VanDerWaalsContact O-CB 3.3Å; L390-F393 WeakPolarHBondContact O-CB 3.43Å; L390-F393 PolarHBondContact O-N 3.43Å; T391-F393 VanDerWaalsContact C-N 3.27Å; T391-F393 PolarHBondContact O-N 3.29Å; F393-D395 VanDerWaalsContact C-N 3.34Å; F393-D395 PolarHBondContact O-N 2.93Å; F393-R396 WeakPolarHBondContact O-CB 3.48Å; F393-R396 PolarHBondContact O-N 2.96Å; F393-R396 VanDerWaalsContact O-N 3.15Å; F393-V397 HydrophobicContact CD2-CG2 4.01Å; F393-V397 HydrophobicContact CE1-CG2 4.28Å; F393-V397 HydrophobicContact CE2-CG2 3.62Å; F393-V397 HydrophobicContact CG-CG2 4.49Å; F393-V397 HydrophobicContact CZ-CG2 3.78Å; F393-V397 VanDerWaalsContact O-CG2 3.28Å; F393-V397 WeakPolarHBondContact O-CG2 3.43Å; F393-V397 PolarHBondContact O-N 2.9Å; F393-L452 HydrophobicContact CE1-CD1 3.85Å; F393-L452 HydrophobicContact CZ-CD1 4.16Å; F393-V459 HydrophobicContact CE1-CG1 3.75Å; F393-V459 HydrophobicContact CZ-CG1 4.19Å; F393-A462 HydrophobicContact CE2-CB 3.98Å; F393-A462 HydrophobicContact CZ-CB 4.15Å; F393-A463 HydrophobicContact CB-CB 4.03Å; F393-A463 HydrophobicContact CD1-CB 4.16Å; F393-A463 VanDerWaalsContact CD2-CA 3.47Å; F393-A463 HydrophobicContact CD2-CB 3.75Å; F393-A463 HydrophobicContact CE2-CB 4.21Å; F393-A463 HydrophobicContact CG-CB 3.71Å; F393-F471 AromaticContact CD2-CE2 3.71Å; F393-F471 HydrophobicContact CD2-CE2 3.71Å; F393-F471 HydrophobicContact CD2-CZ 4.31Å; F393-F471 AromaticContact CE2-CE2 3.67Å; F393-F471 HydrophobicContact CE2-CE2 3.67Å; F393-F471 HydrophobicContact CE2-CZ 4.29Å
394I96Very high90.3Very high14 Ų1470.6 Ų70.67%0.07238%0.381CS..Hα-helixtrans-58.8-44.5176.8-64.7-63.7000111.5L390 T391 R396 V397 K398 V408 L410 L452L390-I394 PolarHBondContact O-N 2.92Å; T391-I394 PolarHBondContact O-N 2.92Å; I394-R396 VanDerWaalsContact C-N 3.31Å; I394-R396 PolarHBondContact O-N 2.92Å; I394-V397 PolarHBondContact O-N 2.9Å; I394-K398 HydrophobicContact CG2-CD 4.32Å; I394-K398 HydrophobicContact CG2-CG 4.48Å; I394-K398 WeakPolarHBondContact O-CG 3.32Å; I394-K398 PolarHBondContact O-N 3.21Å; I394-V408 HydrophobicContact CD1-CG1 4.06Å; I394-V408 HydrophobicContact CG2-CB 4.4Å; I394-V408 HydrophobicContact CG2-CG1 4.27Å; I394-V408 WeakPolarHBondContact CG2-O 3.37Å; I394-L410 HydrophobicContact CD1-CD2 3.74Å; I394-L410 HydrophobicContact CD1-CG 3.94Å; I394-L410 HydrophobicContact CG1-CD2 4.21Å; I394-L410 HydrophobicContact CG1-CG 4.04Å; I394-L452 HydrophobicContact CD1-CD1 3.8Å
395D95.5Very high91.1Very high92 Ų9266 Ų6649%0.49236%0.361SS..Hα-helixtrans-62.5-39.2177.4-70-26.2000112T391 F393 K398 A399T391-D395 PolarHBondContact O-N 3.19Å; F393-D395 VanDerWaalsContact C-N 3.34Å; F393-D395 PolarHBondContact O-N 2.93Å; D395-K398 PolarHBondContact O-N 3.06Å; D395-A399 WeakPolarHBondContact O-CB 3.47Å; D395-A399 PolarHBondContact O-N 3.49Å
396R95.7Very high91.9Very high57 Ų5763 Ų6322%0.21535%0.346CS..Hα-helixtrans-65.6-39.5175.3-162.8-178171.9-163.3-2111.6P392 F393 I394 A399 L400 T465 E466 E468 F471P392-R396 WeakPolarHBondContact O-CB 3.31Å; P392-R396 PolarHBondContact O-N 3.45Å; F393-R396 WeakPolarHBondContact O-CB 3.48Å; F393-R396 PolarHBondContact O-N 2.96Å; F393-R396 VanDerWaalsContact O-N 3.15Å; I394-R396 VanDerWaalsContact C-N 3.31Å; I394-R396 PolarHBondContact O-N 2.92Å; R396-A399 PolarHBondContact O-N 3.48Å; R396-L400 PolarHBondContact O-N 3.05Å; R396-T465 PolarHBondContact NH1-O 3.33Å; R396-E466 PolarHBondContact NH2-O 2.88Å; R396-E466 VanDerWaalsContact NH2-O 3.13Å; R396-E468 IonicContact CZ-OE1 3.6Å; R396-E468 IonicContact CZ-OE2 3.41Å; R396-E468 IonicContact NE-OE1 2.68Å; R396-E468 PolarHBondContact NE-OE1 3.09Å; R396-E468 IonicContact NE-OE2 3.56Å; R396-E468 PolarHBondContact NE-OE2 2.94Å; R396-E468 IonicContact NH2-OE1 2.7Å; R396-E468 PolarHBondContact NH2-OE1 2.71Å; R396-E468 IonicContact NH2-OE2 3.58Å; R396-E468 PolarHBondContact NH2-OE2 2.52Å; R396-F471 HydrophobicContact CB-CE1 4.3Å; R396-F471 HydrophobicContact CB-CZ 3.9Å; R396-F471 HydrophobicContact CG-CD1 4.34Å; R396-F471 HydrophobicContact CG-CE1 3.6Å; R396-F471 HydrophobicContact CG-CE2 4.38Å; R396-F471 HydrophobicContact CG-CZ 3.63Å; R396-F471 VanDerWaalsContact CZ-CG 3.47Å
397V97.3Very high92.8Very high0 Ų064.2 Ų64.20%035%0.347CS..Hα-helixtrans-64.3-44.6173.6177.60000110.9F393 I394 A399 L400 L401 V408 F450 L452 F471 V475F393-V397 HydrophobicContact CD2-CG2 4.01Å; F393-V397 HydrophobicContact CE1-CG2 4.28Å; F393-V397 HydrophobicContact CE2-CG2 3.62Å; F393-V397 HydrophobicContact CG-CG2 4.49Å; F393-V397 HydrophobicContact CZ-CG2 3.78Å; F393-V397 VanDerWaalsContact O-CG2 3.28Å; F393-V397 WeakPolarHBondContact O-CG2 3.43Å; F393-V397 PolarHBondContact O-N 2.9Å; I394-V397 PolarHBondContact O-N 2.9Å; V397-A399 VanDerWaalsContact C-N 3.34Å; V397-A399 PolarHBondContact O-N 2.83Å; V397-L400 PolarHBondContact O-N 3.11Å; V397-L401 HydrophobicContact CG1-CD1 3.8Å; V397-L401 HydrophobicContact CG1-CG 4.28Å; V397-L401 WeakPolarHBondContact O-CG 3.49Å; V397-L401 PolarHBondContact O-N 2.94Å; V397-V408 HydrophobicContact CB-CG1 4.13Å; V397-V408 HydrophobicContact CG1-CB 4.38Å; V397-V408 HydrophobicContact CG1-CG1 3.64Å; V397-V408 HydrophobicContact CG1-CG2 3.99Å; V397-F450 HydrophobicContact CG1-CD1 4.2Å; V397-F450 HydrophobicContact CG1-CE1 4.23Å; V397-L452 HydrophobicContact CG1-CD1 4.47Å; V397-L452 HydrophobicContact CG2-CD1 4.44Å; V397-F471 HydrophobicContact CG2-CZ 3.92Å; V397-V475 HydrophobicContact CG1-CG1 3.76Å; V397-V475 HydrophobicContact CG2-CG1 4.43Å; V397-V475 HydrophobicContact CG2-CG2 3.82Å
398K96.9Very high93.5Very high80 Ų8061.2 Ų61.235%0.34833%0.334SS..Hα-helixtrans-58.7-44.8175.5-73.6-178.9176.9-165.90111.7I394 D395 L400 G402 D407 V408I394-K398 HydrophobicContact CG2-CD 4.32Å; I394-K398 HydrophobicContact CG2-CG 4.48Å; I394-K398 WeakPolarHBondContact O-CG 3.32Å; I394-K398 PolarHBondContact O-N 3.21Å; D395-K398 PolarHBondContact O-N 3.06Å; K398-L400 VanDerWaalsContact C-N 3.32Å; K398-L400 PolarHBondContact O-N 3.01Å; K398-G402 WeakPolarHBondContact O-CA 3.39Å; K398-G402 PolarHBondContact O-N 2.95Å; K398-D407 WeakPolarHBondContact CE-OD1 3.23Å; K398-D407 IonicContact NZ-OD1 2.69Å; K398-D407 PolarHBondContact NZ-OD1 3.46Å; K398-V408 WeakPolarHBondContact CE-O 3.33Å; K398-V408 HydrophobicContact CG-CB 3.7Å; K398-V408 HydrophobicContact CG-CG2 3.8Å; K398-V408 PolarHBondContact NZ-O 3.28Å
399A95.8Very high94Very high86 Ų8656.5 Ų56.571%0.71131%0.312SS*.Hα-helixtrans-63.5-38.3178.100000112.3D395 R396 V397D395-A399 WeakPolarHBondContact O-CB 3.47Å; D395-A399 PolarHBondContact O-N 3.49Å; R396-A399 PolarHBondContact O-N 3.48Å; V397-A399 VanDerWaalsContact C-N 3.34Å; V397-A399 PolarHBondContact O-N 2.83Å
400L95.9Very high94.4Very high62 Ų6254.5 Ų54.533%0.32529%0.29SS..Hα-helixtrans-69.1-48.1178-177.772.3000112.4R396 V397 K398 F471 V475R396-L400 PolarHBondContact O-N 3.05Å; V397-L400 PolarHBondContact O-N 3.11Å; K398-L400 VanDerWaalsContact C-N 3.32Å; K398-L400 PolarHBondContact O-N 3.01Å; L400-F471 HydrophobicContact CD2-CE1 4.19Å; L400-V475 HydrophobicContact CD2-CB 3.72Å; L400-V475 HydrophobicContact CD2-CG1 3.78Å; L400-V475 HydrophobicContact CD2-CG2 4.19Å
401L95.9Very high94.5Very high4 Ų454 Ų542%0.02129%0.288CS..Hα-helixtrans-79.7-28.9-174.5-63.5-179.1000112.7V397 E403 R404 V405 V408 F450 V475 L479V397-L401 HydrophobicContact CG1-CD1 3.8Å; V397-L401 HydrophobicContact CG1-CG 4.28Å; V397-L401 WeakPolarHBondContact O-CG 3.49Å; V397-L401 PolarHBondContact O-N 2.94Å; L401-E403 PolarHBondContact O-N 3.11Å; L401-R404 VanDerWaalsContact O-CB 3.28Å; L401-R404 WeakPolarHBondContact O-CB 3.43Å; L401-R404 WeakPolarHBondContact O-CG 3.46Å; L401-R404 PolarHBondContact O-N 3.42Å; L401-R404 VanDerWaalsContact O-N 3.16Å; L401-V405 HydrophobicContact CB-CG2 3.81Å; L401-V405 HydrophobicContact CD1-CG1 4.06Å; L401-V405 HydrophobicContact CD1-CG2 3.99Å; L401-V408 HydrophobicContact CD1-CG2 4.23Å; L401-F450 HydrophobicContact CD1-CD1 3.75Å; L401-F450 HydrophobicContact CD1-CE1 4.21Å; L401-V475 HydrophobicContact CD1-CG1 4.18Å; L401-V475 HydrophobicContact CD2-CG1 4.07Å; L401-V475 HydrophobicContact CG-CG1 4.12Å; L401-L479 HydrophobicContact CD1-CD2 4.06Å; L401-L479 HydrophobicContact CD2-CD2 3.66Å; L401-L479 HydrophobicContact CG-CD2 4.5Å
402G93.5Very high94.5Very high43 Ų4353 Ų5344%0.44328%0.278SS..G310 helixtrans53.1-128.4177.600000112.2K398 R404K398-G402 WeakPolarHBondContact O-CA 3.39Å; K398-G402 PolarHBondContact O-N 2.95Å; G402-R404 VanDerWaalsContact C-N 3.26Å; G402-R404 PolarHBondContact O-N 3.17Å
403E92Very high94.5Very high162 Ų16249.7 Ų49.776%0.75726%0.255SS*.G310 helixtrans-77.9-2.9-176.1-62.7-170.7173.800115.1L401 V405 K447L401-E403 PolarHBondContact O-N 3.11Å; E403-V405 VanDerWaalsContact C-N 3.26Å; E403-V405 PolarHBondContact O-N 3.34Å; E403-K447 WeakPolarHBondContact O-CE 3.16Å; E403-K447 PolarHBondContact O-NZ 2.81Å
404R92.2Very high94.4Very high111 Ų11149.6 Ų49.642%0.41926%0.255SS..G310 helixtrans-68.7-26.4-179.9-67.6169.758.6-160.80.4112.8L401 G402 E476L401-R404 VanDerWaalsContact O-CB 3.28Å; L401-R404 WeakPolarHBondContact O-CB 3.43Å; L401-R404 WeakPolarHBondContact O-CG 3.46Å; L401-R404 PolarHBondContact O-N 3.42Å; L401-R404 VanDerWaalsContact O-N 3.16Å; G402-R404 VanDerWaalsContact C-N 3.26Å; G402-R404 PolarHBondContact O-N 3.17Å; R404-E476 IonicContact CZ-OE1 2.55Å; R404-E476 IonicContact CZ-OE2 3.27Å; R404-E476 VanDerWaalsContact NH1-CD 3.33Å; R404-E476 IonicContact NH1-OE1 3.67Å; R404-E476 PolarHBondContact NH1-OE1 3.41Å; R404-E476 IonicContact NH1-OE2 2.65Å; R404-E476 PolarHBondContact NH1-OE2 3.26Å; R404-E476 IonicContact NH2-OE1 3.09Å; R404-E476 IonicContact NH2-OE2 2.67Å; R404-E476 PolarHBondContact NH2-OE2 3.41Å
405V95.2Very high94.2Very high12 Ų1251.7 Ų51.77%0.07327%0.268CS..SBendtrans-121.3154.3174.5-62.10000108.7L401 E403 V408 Y448 F450 L479L401-V405 HydrophobicContact CB-CG2 3.81Å; L401-V405 HydrophobicContact CD1-CG1 4.06Å; L401-V405 HydrophobicContact CD1-CG2 3.99Å; E403-V405 VanDerWaalsContact C-N 3.26Å; E403-V405 PolarHBondContact O-N 3.34Å; V405-V408 HydrophobicContact CG2-CG2 3.74Å; V405-Y448 CarbonylContact C-O 3.44Å; V405-Y448 WeakPolarHBondContact CA-O 3.44Å; V405-Y448 WeakPolarHBondContact CB-O 3.37Å; V405-F450 HydrophobicContact CG1-CB 4.25Å; V405-L479 HydrophobicContact CG1-CD1 4.11Å; V405-L479 HydrophobicContact CG1-CD2 4.29Å
406K94.6Very high94Very high80 Ų8053.3 Ų53.335%0.34828%0.277SS..SBendtrans-73.9-43.4176.5-179.5169.8175.4173.20111.6D424 E427 K447 Y448 I449K406-D424 WeakPolarHBondContact CE-OD2 3.4Å; K406-D424 IonicContact NZ-OD2 2.9Å; K406-D424 PolarHBondContact NZ-OD2 2.94Å; K406-E427 IonicContact NZ-OE1 2.88Å; K406-E427 PolarHBondContact NZ-OE1 3.34Å; K406-E427 IonicContact NZ-OE2 2.85Å; K406-E427 PolarHBondContact NZ-OE2 2.78Å; K406-K447 HydrophobicContact CB-CB 3.96Å; K406-K447 WeakPolarHBondContact CB-O 3.12Å; K406-Y448 PolarHBondContact N-O 2.82Å; K406-I449 HydrophobicContact CB-CG1 4.25Å; K406-I449 HydrophobicContact CD-CG1 4.31Å; K406-I449 HydrophobicContact CG-CG1 4.4Å
407D96Very high94Very high61 Ų6152 Ų5233%0.32628%0.275SS..EExtended strand (participates in β ladder)trans-155.9165.4177.1-167.921.6000109.9K398 I449 F450K398-D407 WeakPolarHBondContact CE-OD1 3.23Å; K398-D407 IonicContact NZ-OD1 2.69Å; K398-D407 PolarHBondContact NZ-OD1 3.46Å; D407-I449 HydrophobicContact CB-CG1 4.35Å; D407-I449 HydrophobicContact CB-CG2 4.3Å; D407-I449 WeakPolarHBondContact O-CA 3.47Å; D407-F450 PolarHBondContact O-N 2.99Å
408V97.1Very high94Very high2 Ų252.7 Ų52.71%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-129127.4172.2-175.30000108I394 V397 K398 L401 V405 F450 L452I394-V408 HydrophobicContact CD1-CG1 4.06Å; I394-V408 HydrophobicContact CG2-CB 4.4Å; I394-V408 HydrophobicContact CG2-CG1 4.27Å; I394-V408 WeakPolarHBondContact CG2-O 3.37Å; V397-V408 HydrophobicContact CB-CG1 4.13Å; V397-V408 HydrophobicContact CG1-CB 4.38Å; V397-V408 HydrophobicContact CG1-CG1 3.64Å; V397-V408 HydrophobicContact CG1-CG2 3.99Å; K398-V408 WeakPolarHBondContact CE-O 3.33Å; K398-V408 HydrophobicContact CG-CB 3.7Å; K398-V408 HydrophobicContact CG-CG2 3.8Å; K398-V408 PolarHBondContact NZ-O 3.28Å; L401-V408 HydrophobicContact CD1-CG2 4.23Å; V405-V408 HydrophobicContact CG2-CG2 3.74Å; V408-F450 CarbonylContact C-O 3.4Å; V408-F450 VanDerWaalsContact CA-O 3.27Å; V408-F450 WeakPolarHBondContact CA-O 3.21Å; V408-F450 HydrophobicContact CG1-CD1 4.1Å; V408-F450 HydrophobicContact CG2-CB 4.37Å; V408-F450 HydrophobicContact CG2-CD1 4.43Å; V408-L452 HydrophobicContact CG1-CD1 3.85Å
409R95.1Very high94Very high58 Ų5849 Ų4922%0.21926%0.264CS..EExtended strand (participates in β ladder)trans-144.7166-179.665-174.5-173.6153.79.7112.1E373 I449 F450 E451 L452E373-R409 IonicContact OE1-CZ 3.44Å; E373-R409 IonicContact OE1-NH1 3.37Å; E373-R409 PolarHBondContact OE1-NH1 3.01Å; E373-R409 IonicContact OE1-NH2 3.74Å; E373-R409 PolarHBondContact OE1-NH2 2.52Å; R409-I449 HydrophobicContact CG-CG2 4.02Å; R409-F450 PolarHBondContact N-O 3.46Å; R409-E451 HydrophobicContact CG-CG 3.83Å; R409-E451 IonicContact CZ-OE1 3.52Å; R409-E451 IonicContact NE-OE1 2.72Å; R409-E451 PolarHBondContact NE-OE1 3.29Å; R409-E451 IonicContact NH2-OE1 3.48Å; R409-E451 PolarHBondContact NH2-OE1 3.27Å; R409-E451 IonicContact NH2-OE2 3.27Å; R409-E451 CarbonylContact O-C 3.55Å; R409-E451 VanDerWaalsContact O-CA 3.29Å; R409-E451 WeakPolarHBondContact O-CA 3.13Å; R409-L452 PolarHBondContact O-N 3.4Å
410L93.3Very high94.1Very high33 Ų3345.1 Ų45.117%0.17323%0.232CC..EExtended strand (participates in β ladder)trans-83.7152.6169-64.2173000110E387 L390 I394 L452 P454E387-L410 HydrophobicContact CB-CD1 4.08Å; E387-L410 HydrophobicContact CG-CD1 3.85Å; L390-L410 HydrophobicContact CB-CD1 3.93Å; L390-L410 HydrophobicContact CD1-CD1 4.17Å; L390-L410 HydrophobicContact CD1-CD2 4.15Å; I394-L410 HydrophobicContact CD1-CD2 3.74Å; I394-L410 HydrophobicContact CD1-CG 3.94Å; I394-L410 HydrophobicContact CG1-CD2 4.21Å; I394-L410 HydrophobicContact CG1-CG 4.04Å; L410-L452 CarbonylContact C-O 3.51Å; L410-L452 VanDerWaalsContact CA-O 3.31Å; L410-L452 WeakPolarHBondContact CA-O 3.46Å; L410-L452 HydrophobicContact CD2-CB 4.15Å; L410-P454 HydrophobicContact CD1-CB 4.39Å; L410-P454 HydrophobicContact CD2-CB 4.08Å
411T91.5Very high94.1Very high8 Ų842.2 Ų42.25%0.04922%0.216CC..  trans-142.3138177.6-164.90000111.6R413 L414 E451 L452 P454T411-R413 WeakPolarHBondContact OG1-CG 3.4Å; T411-R413 PolarHBondContact OG1-N 2.93Å; T411-L414 HydrophobicContact CG2-CD1 4.06Å; T411-L414 HydrophobicContact CG2-CG 4.02Å; T411-E451 WeakPolarHBondContact CB-OE2 3.34Å; T411-E451 HydrophobicContact CG2-CB 3.55Å; T411-E451 PolarHBondContact OG1-OE2 2.71Å; T411-L452 PolarHBondContact N-O 3.23Å; T411-P454 VanDerWaalsContact O-CD 3.25Å; T411-P454 WeakPolarHBondContact O-CD 3.15Å
412H89.7Confident94.1Very high49 Ų4942 Ų4223%0.22722%0.215CC..SBendtrans-100.514173-61.3-71.1000111.9A376 E387 L414A376-H412 HydrophobicContact CB-CB 4.15Å; E387-H412 IonicContact OE1-CD2 2.78Å; E387-H412 IonicContact OE1-CE1 2.67Å; E387-H412 IonicContact OE1-NE2 3.59Å; E387-H412 PolarHBondContact OE1-NE2 3.49Å; H412-L414 VanDerWaalsContact C-N 3.28Å
413R91.4Very high94.2Very high18 Ų1840 Ų407%0.06819%0.194CC..SBendtrans-79.4-11.7177.2-61.5-167.3-65.9154.6-2.7113.4L331 V365 T411 S422 E451L331-R413 HydrophobicContact CB-CB 4.36Å; L331-R413 WeakPolarHBondContact CB-O 3.43Å; L331-R413 HydrophobicContact CD2-CB 4.3Å; L331-R413 HydrophobicContact CD2-CG 3.99Å; L331-R413 PolarHBondContact N-O 2.93Å; L331-R413 VanDerWaalsContact N-O 3.11Å; V365-R413 PolarHBondContact O-NH1 2.97Å; T411-R413 WeakPolarHBondContact OG1-CG 3.4Å; T411-R413 PolarHBondContact OG1-N 2.93Å; R413-S422 PolarHBondContact NH2-OG 2.97Å; R413-E451 IonicContact CZ-OE1 3.31Å; R413-E451 IonicContact CZ-OE2 2.76Å; R413-E451 IonicContact NE-OE2 3.43Å; R413-E451 PolarHBondContact NE-OE2 3.48Å; R413-E451 IonicContact NH2-OE1 2.79Å; R413-E451 PolarHBondContact NH2-OE1 2.85Å; R413-E451 IonicContact NH2-OE2 3.54Å; R413-E451 PolarHBondContact NH2-OE2 2.92Å
414L93Very high94.1Very high10 Ų1034.9 Ų34.95%0.05217%0.172CC..  trans-106.7144.1-177.5-54.6-177.8000110.6P327 E330 T411 H412 T417 I420 N453P327-L414 HydrophobicContact CB-CD2 4.17Å; E330-L414 WeakPolarHBondContact OE2-CA 3.23Å; T411-L414 HydrophobicContact CG2-CD1 4.06Å; T411-L414 HydrophobicContact CG2-CG 4.02Å; H412-L414 VanDerWaalsContact C-N 3.28Å; L414-T417 WeakPolarHBondContact CB-O 3.47Å; L414-T417 HydrophobicContact CD1-CG2 4.24Å; L414-T417 WeakPolarHBondContact CD1-O 3.34Å; L414-I420 HydrophobicContact CD1-CB 4.41Å; L414-I420 HydrophobicContact CD1-CG1 4.15Å; L414-I420 HydrophobicContact CD1-CG2 3.87Å; L414-I420 HydrophobicContact CD2-CD1 4.11Å; L414-I420 HydrophobicContact CD2-CG1 4.36Å; L414-I420 HydrophobicContact CD2-CG2 3.6Å; L414-I420 HydrophobicContact CG-CG2 4.34Å; L414-N453 HydrophobicContact CB-CB 4.01Å; L414-N453 HydrophobicContact CD1-CB 4.15Å; L414-N453 PolarHBondContact O-ND2 3.24Å
415T89.9Confident93.9Very high57 Ų5731.6 Ų31.635%0.3517%0.169SC..SBendtrans-104.6-55.8172.155.80000110.5E330 K334 N453E330-T415 HydrophobicContact CB-CG2 4.49Å; E330-T415 PolarHBondContact OE2-N 3.07Å; E330-T415 PolarHBondContact OE2-OG1 3.28Å; K334-T415 HydrophobicContact CD-CG2 3.98Å; T415-N453 PolarHBondContact O-ND2 2.76Å
416D91.4Very high93.4Very high126 Ų12638.9 Ų38.967%0.67421%0.207SC*.SBendtrans-116.7-18.6-169.3-57.1-68.3000112.2E330 H456E330-D416 PolarHBondContact OE2-N 3.17Å; D416-H456 PolarHBondContact O-CD2 2.87Å; D416-H456 PolarHBondContact O-NE2 2.76Å; D416-H456 VanDerWaalsContact O-NE2 3.09Å
417T96.5Very high93.1Very high31 Ų3138 Ų3819%0.1920%0.204CC..  trans-85137.6177.2-66.90000110.9P327 E330 L414 A419 N453P327-T417 HydrophobicContact CB-CG2 3.79Å; P327-T417 HydrophobicContact CG-CG2 3.91Å; E330-T417 WeakPolarHBondContact OE1-CB 3.14Å; E330-T417 PolarHBondContact OE1-N 3.47Å; E330-T417 PolarHBondContact OE1-OG1 3.46Å; E330-T417 PolarHBondContact OE2-N 2.99Å; L414-T417 WeakPolarHBondContact CB-O 3.47Å; L414-T417 HydrophobicContact CD1-CG2 4.24Å; L414-T417 WeakPolarHBondContact CD1-O 3.34Å; T417-A419 VanDerWaalsContact CG2-O 3.24Å; T417-A419 WeakPolarHBondContact CG2-O 3.45Å; T417-N453 WeakPolarHBondContact O-CB 3.39Å; T417-N453 PolarHBondContact O-ND2 2.93Å; T417-N453 VanDerWaalsContact O-ND2 3.13Å
418P96.8Very high92.7Very high13 Ų1337.5 Ų37.58%0.08420%0.201CC..SBendtrans-71.5-33.8-18025.4-34.6000114N453 H456 V459 L478P418-N453 WeakPolarHBondContact O-CB 3.28Å; P418-N453 PolarHBondContact O-N 3.26Å; P418-H456 HydrophobicContact CB-CB 4.34Å; P418-H456 WeakPolarHBondContact CB-ND1 3.29Å; P418-V459 HydrophobicContact CB-CG2 4.09Å; P418-V459 VanDerWaalsContact O-CG2 3.3Å; P418-V459 WeakPolarHBondContact O-CG2 3.24Å; P418-L478 HydrophobicContact CB-CD2 3.59Å; P418-L478 HydrophobicContact CG-CD2 3.85Å
419A97.6Very high92.4Very high4 Ų437.6 Ų37.63%0.03320%0.202CC..EExtended strand (participates in β ladder)trans-158.1153.4-174.400000112.7T417 F450 E451 L452 A482T417-A419 VanDerWaalsContact CG2-O 3.24Å; T417-A419 WeakPolarHBondContact CG2-O 3.45Å; A419-F450 HydrophobicContact CB-CD2 4.38Å; A419-F450 HydrophobicContact CB-CE2 3.47Å; A419-F450 VanDerWaalsContact CB-CE2 3.47Å; A419-F450 HydrophobicContact CB-CZ 3.97Å; A419-E451 CarbonylContact C-O 3.58Å; A419-E451 WeakPolarHBondContact CA-O 3.3Å; A419-E451 WeakPolarHBondContact CB-O 3.39Å; A419-L452 HydrophobicContact CB-CD2 3.96Å; A419-A482 HydrophobicContact CB-CB 4.36Å
420I97.2Very high92.2Very high4 Ų435 Ų352%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-132166.2169.257.7175.6000110.3P327 L414 E451P327-I420 HydrophobicContact CB-CG2 3.57Å; P327-I420 HydrophobicContact CG-CG2 4.39Å; L414-I420 HydrophobicContact CD1-CB 4.41Å; L414-I420 HydrophobicContact CD1-CG1 4.15Å; L414-I420 HydrophobicContact CD1-CG2 3.87Å; L414-I420 HydrophobicContact CD2-CD1 4.11Å; L414-I420 HydrophobicContact CD2-CG1 4.36Å; L414-I420 HydrophobicContact CD2-CG2 3.6Å; L414-I420 HydrophobicContact CG-CG2 4.34Å; I420-E451 HydrophobicContact CG1-CB 3.82Å; I420-E451 HydrophobicContact CG1-CG 4.45Å; I420-E451 PolarHBondContact N-O 3.19Å; I420-E451 PolarHBondContact O-N 3.33Å
421V97.1Very high92.1Very high1 Ų134.4 Ų34.41%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-117.6136.3166.2-76.30000108.8H328 Y448 I449 F450 L479 A482 L483 E486H328-V421 PolarHBondContact CE1-O 3.45Å; H328-V421 PolarHBondContact NE2-O 3.32Å; V421-Y448 HydrophobicContact CB-CD1 3.79Å; V421-Y448 HydrophobicContact CB-CG 3.83Å; V421-Y448 HydrophobicContact CG1-CG 4.25Å; V421-Y448 HydrophobicContact CG2-CD1 4Å; V421-Y448 HydrophobicContact CG2-CE1 4.4Å; V421-Y448 HydrophobicContact CG2-CG 4.28Å; V421-I449 WeakPolarHBondContact CA-O 3.15Å; V421-F450 HydrophobicContact CG1-CD2 4.07Å; V421-L479 HydrophobicContact CG1-CD1 4.05Å; V421-A482 HydrophobicContact CG1-CB 3.95Å; V421-A482 HydrophobicContact CG2-CB 4.31Å; V421-L483 HydrophobicContact CG1-CD2 4.32Å; V421-L483 HydrophobicContact CG2-CD2 4.29Å; V421-E486 HydrophobicContact CG2-CB 3.39Å; V421-E486 HydrophobicContact CG2-CG 3.7Å
422S95.4Very high91.9Very high0 Ų035.7 Ų35.70%019%0.194CC..EExtended strand (participates in β ladder)trans-125.7154.7175.3-75.20000110.2S366 R413 Y448 I449S366-S422 VanDerWaalsContact O-CA 3.25Å; S366-S422 WeakPolarHBondContact O-CA 3.35Å; S366-S422 WeakPolarHBondContact O-CB 3.3Å; S366-S422 PolarHBondContact O-OG 3.42Å; R413-S422 PolarHBondContact NH2-OG 2.97Å; S422-Y448 WeakPolarHBondContact O-CA 3.18Å; S422-I449 PolarHBondContact N-O 3Å; S422-I449 PolarHBondContact O-N 2.96Å
423T94.4Very high91.9Very high0 Ų033.9 Ų33.90%019%0.188CC..BIsolated β-bridgetrans-95.7158.5167.865.90000109.5S366 K367 V368 V446 Y448S366-T423 PolarHBondContact O-N 2.93Å; K367-T423 WeakPolarHBondContact CA-O 3.29Å; V368-T423 PolarHBondContact N-O 3.3Å; T423-V446 HydrophobicContact CG2-CG1 3.66Å; T423-Y448 HydrophobicContact CG2-CD1 3.99Å; T423-Y448 HydrophobicContact CG2-CE1 3.95Å
424D91.5Very high91.9Very high54 Ų5435.7 Ų35.729%0.28920%0.196SC..  trans-65.8163.6171.9-153.6-21.5000111.3K406 D426 E427K406-D424 WeakPolarHBondContact CE-OD2 3.4Å; K406-D424 IonicContact NZ-OD2 2.9Å; K406-D424 PolarHBondContact NZ-OD2 2.94Å; D424-D426 VanDerWaalsContact C-N 3.33Å; D424-D426 PolarHBondContact O-N 3.49Å; D424-E427 HydrophobicContact CB-CB 4.16Å; D424-E427 HydrophobicContact CB-CG 3.96Å; D424-E427 WeakPolarHBondContact CB-OE2 3.25Å; D424-E427 PolarHBondContact N-OE2 3.36Å; D424-E427 PolarHBondContact O-N 3.46Å
425A86.6Confident91.5Very high43 Ų4338.1 Ų38.136%0.35521%0.209SC..THydrogen-bonded Turntrans-57.3-46.1-176.800000111.8K367 E427K367-A425 PolarHBondContact NZ-O 3.19Å; A425-E427 VanDerWaalsContact C-N 3.34Å
426D85.8Confident91.4Very high164 Ų16439.3 Ų39.388%0.87721%0.209SC*.THydrogen-bonded Turntrans-87-1.6-176.9-62.8-37.4000113.7D424D424-D426 VanDerWaalsContact C-N 3.33Å; D424-D426 PolarHBondContact O-N 3.49Å
427E88Confident91.3Very high61 Ų6136.1 Ų36.129%0.28520%0.2SC..SBendtrans-91.1159.6-177.8-77.6177.8170.600112.9K367 K406 D424 A425 S429K367-E427 WeakPolarHBondContact CE-O 3.48Å; K367-E427 PolarHBondContact NZ-O 3.29Å; K406-E427 IonicContact NZ-OE1 2.88Å; K406-E427 PolarHBondContact NZ-OE1 3.34Å; K406-E427 IonicContact NZ-OE2 2.85Å; K406-E427 PolarHBondContact NZ-OE2 2.78Å; D424-E427 HydrophobicContact CB-CB 4.16Å; D424-E427 HydrophobicContact CB-CG 3.96Å; D424-E427 WeakPolarHBondContact CB-OE2 3.25Å; D424-E427 PolarHBondContact N-OE2 3.36Å; D424-E427 PolarHBondContact O-N 3.46Å; A425-E427 VanDerWaalsContact C-N 3.34Å; E427-S429 PolarHBondContact O-N 3.07Å
428M87.6Confident90.8Very high52 Ų5239 Ų3926%0.25623%0.227SC..PPolyproline II helixtrans-67.6129.5176.2-175.1170.857.100110M432 A433 F436 V443 V446M428-M432 HydrophobicContact CG-CB 3.68Å; M428-M432 HydrophobicContact CG-CG 3.81Å; M428-M432 HydrophobicContact SD-CB 4.43Å; M428-M432 HydrophobicContact SD-CG 4.15Å; M428-A433 HydrophobicContact CE-CB 3.76Å; M428-A433 HydrophobicContact CG-CB 4.42Å; M428-A433 HydrophobicContact SD-CB 4.25Å; M428-F436 HydrophobicContact SD-CD2 3.49Å; M428-F436 WeakPolarHBondContact SD-CD2 3.21Å; M428-F436 HydrophobicContact SD-CE2 3.75Å; M428-V443 HydrophobicContact CE-CG1 3.43Å; M428-V443 VanDerWaalsContact CE-CG1 3.43Å; M428-V443 HydrophobicContact SD-CG1 4.42Å; M428-V446 HydrophobicContact CE-CG2 4.22Å
429S90Very high90.3Very high4 Ų441.7 Ų41.73%0.02825%0.251CS..PPolyproline II helixtrans-67.5161.5174.774.40000111.4E348 E427 Q431 M432 A433E348-S429 VanDerWaalsContact CD-OG 3.27Å; E348-S429 WeakPolarHBondContact OE1-CB 3.22Å; E348-S429 PolarHBondContact OE1-OG 3.45Å; E427-S429 PolarHBondContact O-N 3.07Å; S429-Q431 VanDerWaalsContact C-N 3.27Å; S429-Q431 PolarHBondContact O-N 3.25Å; S429-Q431 PolarHBondContact OG-N 2.78Å; S429-M432 PolarHBondContact O-N 2.66Å; S429-M432 VanDerWaalsContact OG-CB 3.31Å; S429-M432 WeakPolarHBondContact OG-CB 3.4Å; S429-M432 PolarHBondContact OG-N 3.32Å; S429-A433 WeakPolarHBondContact O-CB 3.32Å; S429-A433 PolarHBondContact O-N 2.9Å
430T91.9Very high89.8Confident3 Ų344.7 Ų44.72%0.01828%0.282CS..Hα-helixtrans-54.8-42.2171.3-520000112.6A433 K434 Y448 E486 R487T430-A433 WeakPolarHBondContact O-CB 3.3Å; T430-A433 PolarHBondContact O-N 3.29Å; T430-K434 WeakPolarHBondContact O-CG 3.49Å; T430-K434 PolarHBondContact O-N 3.45Å; T430-Y448 WeakPolarHBondContact OG1-CE1 3.42Å; T430-Y448 PolarHBondContact OG1-OH 2.92Å; T430-E486 VanDerWaalsContact CB-OE1 3.3Å; T430-E486 WeakPolarHBondContact CB-OE1 2.9Å; T430-E486 HydrophobicContact CG2-CG 4.23Å; T430-E486 VanDerWaalsContact OG1-CG 3.28Å; T430-E486 WeakPolarHBondContact OG1-CG 3.3Å; T430-E486 PolarHBondContact OG1-OE1 3.23Å; T430-R487 HydrophobicContact CG2-CB 4.24Å; T430-R487 HydrophobicContact CG2-CG 3.85Å
431Q90.1Very high89.4Confident21 Ų2150.4 Ų50.410%0.09831%0.309CS..Hα-helixtrans-69.1-40.8-178-60.2-54.8-3100111.3T316 D318 E348 S429 A433 K434 L435T316-Q431 WeakPolarHBondContact O-CG 3.42Å; T316-Q431 WeakPolarHBondContact OG1-CG 3.29Å; D318-Q431 PolarHBondContact OD1-OE1 3.47Å; E348-Q431 HydrophobicContact CB-CB 4.19Å; E348-Q431 HydrophobicContact CG-CB 3.82Å; S429-Q431 VanDerWaalsContact C-N 3.27Å; S429-Q431 PolarHBondContact O-N 3.25Å; S429-Q431 PolarHBondContact OG-N 2.78Å; Q431-A433 VanDerWaalsContact C-N 3.34Å; Q431-A433 PolarHBondContact O-N 3.02Å; Q431-K434 WeakPolarHBondContact O-CB 3.5Å; Q431-K434 PolarHBondContact O-N 3.28Å; Q431-L435 WeakPolarHBondContact O-CG 3.18Å; Q431-L435 PolarHBondContact O-N 3.13Å
432M87.8Confident88.8Confident34 Ų3460.3 Ų60.317%0.16735%0.352CS..Hα-helixtrans-66.3-39.7176.3-169.567.4-175.800111.2E348 M428 S429 K434 L435 F436E348-M432 HydrophobicContact CG-CB 4.01Å; E348-M432 HydrophobicContact CG-SD 4.22Å; M428-M432 HydrophobicContact CG-CB 3.68Å; M428-M432 HydrophobicContact CG-CG 3.81Å; M428-M432 HydrophobicContact SD-CB 4.43Å; M428-M432 HydrophobicContact SD-CG 4.15Å; S429-M432 PolarHBondContact O-N 2.66Å; S429-M432 VanDerWaalsContact OG-CB 3.31Å; S429-M432 WeakPolarHBondContact OG-CB 3.4Å; S429-M432 PolarHBondContact OG-N 3.32Å; M432-K434 VanDerWaalsContact C-N 3.33Å; M432-K434 PolarHBondContact O-N 3.01Å; M432-L435 PolarHBondContact O-N 3.48Å; M432-L435 HydrophobicContact SD-CD1 4.4Å; M432-F436 HydrophobicContact CE-CD2 4.08Å; M432-F436 HydrophobicContact CE-CE1 4.14Å; M432-F436 HydrophobicContact CE-CE2 3.29Å; M432-F436 HydrophobicContact CE-CZ 3.32Å; M432-F436 HydrophobicContact CG-CD2 3.99Å; M432-F436 HydrophobicContact CG-CE2 3.71Å; M432-F436 VanDerWaalsContact O-CD2 3.3Å; M432-F436 WeakPolarHBondContact O-CD2 3.46Å; M432-F436 PolarHBondContact O-N 3.31Å; M432-F436 HydrophobicContact SD-CE2 4.23Å
433A90.6Very high88.3Confident11 Ų1162.5 Ų62.59%0.09137%0.365CS..Hα-helixtrans-57.4-45.7173.500000111.6M428 S429 T430 Q431 F436 A437 V443 V446M428-A433 HydrophobicContact CE-CB 3.76Å; M428-A433 HydrophobicContact CG-CB 4.42Å; M428-A433 HydrophobicContact SD-CB 4.25Å; S429-A433 WeakPolarHBondContact O-CB 3.32Å; S429-A433 PolarHBondContact O-N 2.9Å; T430-A433 WeakPolarHBondContact O-CB 3.3Å; T430-A433 PolarHBondContact O-N 3.29Å; Q431-A433 VanDerWaalsContact C-N 3.34Å; Q431-A433 PolarHBondContact O-N 3.02Å; A433-F436 PolarHBondContact O-N 3.02Å; A433-A437 PolarHBondContact O-N 2.66Å; A433-V443 HydrophobicContact CB-CG1 3.71Å; A433-V443 WeakPolarHBondContact O-CG2 3.28Å; A433-V446 HydrophobicContact CB-CG2 3.65Å
434K89.6Confident87.7Confident56 Ų5666.9 Ų66.924%0.24339%0.394CS..Hα-helixtrans-62.4-42.7175.3-73.7172.8175.5176.80112.7D318 T430 Q431 M432 F436 A437 A438 R487D318-K434 IonicContact OD1-NZ 3.31Å; D318-K434 IonicContact OD2-NZ 2.84Å; D318-K434 PolarHBondContact OD2-NZ 2.99Å; T430-K434 WeakPolarHBondContact O-CG 3.49Å; T430-K434 PolarHBondContact O-N 3.45Å; Q431-K434 WeakPolarHBondContact O-CB 3.5Å; Q431-K434 PolarHBondContact O-N 3.28Å; M432-K434 VanDerWaalsContact C-N 3.33Å; M432-K434 PolarHBondContact O-N 3.01Å; K434-F436 PolarHBondContact O-N 3.28Å; K434-A437 PolarHBondContact O-N 3.23Å; K434-A438 WeakPolarHBondContact O-CB 3.41Å; K434-A438 PolarHBondContact O-N 3Å; K434-R487 WeakPolarHBondContact CE-O 3.37Å; K434-R487 PolarHBondContact NZ-O 3.5Å
435L86.1Confident87.4Confident62 Ų6271.5 Ų71.533%0.32541%0.414SS..Hα-helixtrans-60.2-44.9177.9-75.9175.7000111.6E348 Q431 M432 A438 A439E348-L435 HydrophobicContact CB-CD1 3.76Å; E348-L435 HydrophobicContact CG-CD1 3.98Å; Q431-L435 WeakPolarHBondContact O-CG 3.18Å; Q431-L435 PolarHBondContact O-N 3.13Å; M432-L435 PolarHBondContact O-N 3.48Å; M432-L435 HydrophobicContact SD-CD1 4.4Å; L435-A438 PolarHBondContact O-N 3.44Å; L435-A439 WeakPolarHBondContact O-CB 3.43Å; L435-A439 PolarHBondContact O-N 2.5Å
436F87.3Confident87.6Confident81 Ų8170.8 Ų70.836%0.35541%0.405SS..Hα-helixtrans-64.2-40.8175.6-78.2-58.5000112.6M428 M432 A433 K434 A438 A439 G440 Q441 V443M428-F436 HydrophobicContact SD-CD2 3.49Å; M428-F436 WeakPolarHBondContact SD-CD2 3.21Å; M428-F436 HydrophobicContact SD-CE2 3.75Å; M432-F436 HydrophobicContact CE-CD2 4.08Å; M432-F436 HydrophobicContact CE-CE1 4.14Å; M432-F436 HydrophobicContact CE-CE2 3.29Å; M432-F436 HydrophobicContact CE-CZ 3.32Å; M432-F436 HydrophobicContact CG-CD2 3.99Å; M432-F436 HydrophobicContact CG-CE2 3.71Å; M432-F436 VanDerWaalsContact O-CD2 3.3Å; M432-F436 WeakPolarHBondContact O-CD2 3.46Å; M432-F436 PolarHBondContact O-N 3.31Å; M432-F436 HydrophobicContact SD-CE2 4.23Å; A433-F436 PolarHBondContact O-N 3.02Å; K434-F436 PolarHBondContact O-N 3.28Å; F436-A438 VanDerWaalsContact C-N 3.34Å; F436-A438 PolarHBondContact O-N 3.07Å; F436-A439 CarbonylContact O-C 3.56Å; F436-A439 PolarHBondContact O-N 3.26Å; F436-G440 PolarHBondContact O-N 3.15Å; F436-Q441 HydrophobicContact CB-CB 4.19Å; F436-Q441 HydrophobicContact CD1-CB 4.24Å; F436-Q441 HydrophobicContact CD1-CG 4.18Å; F436-Q441 WeakPolarHBondContact O-CB 3.4Å; F436-Q441 PolarHBondContact O-N 2.85Å; F436-V443 HydrophobicContact CB-CG2 3.64Å
437A88.2Confident87.9Confident59 Ų5966.5 Ų66.549%0.48838%0.378SS..Hα-helixtrans-61.8-44.5177.100000111.1A433 K434 A439 G440 V443A433-A437 PolarHBondContact O-N 2.66Å; K434-A437 PolarHBondContact O-N 3.23Å; A437-A439 VanDerWaalsContact C-N 3.26Å; A437-A439 PolarHBondContact O-N 3.21Å; A437-G440 PolarHBondContact O-N 2.89Å; A437-V443 HydrophobicContact CB-CG2 3.71Å
438A87Confident88.3Confident91 Ų9164.3 Ų64.375%0.75237%0.368SS*.Hα-helixtrans-64.2-30.5176.900000112.7K434 L435 F436 G440K434-A438 WeakPolarHBondContact O-CB 3.41Å; K434-A438 PolarHBondContact O-N 3Å; L435-A438 PolarHBondContact O-N 3.44Å; F436-A438 VanDerWaalsContact C-N 3.34Å; F436-A438 PolarHBondContact O-N 3.07Å; A438-G440 PolarHBondContact O-N 2.99Å
439A86.7Confident88.7Confident71 Ų7162.5 Ų62.559%0.58736%0.359SS*.THydrogen-bonded Turntrans-77.81.9172.900000113.9L435 F436 A437 Q441L435-A439 WeakPolarHBondContact O-CB 3.43Å; L435-A439 PolarHBondContact O-N 2.5Å; F436-A439 CarbonylContact O-C 3.56Å; F436-A439 PolarHBondContact O-N 3.26Å; A437-A439 VanDerWaalsContact C-N 3.26Å; A437-A439 PolarHBondContact O-N 3.21Å; A439-Q441 VanDerWaalsContact C-N 3.27Å; A439-Q441 HydrophobicContact CB-CG 4.42Å; A439-Q441 PolarHBondContact O-N 2.99Å
440G87.7Confident89.1Confident67 Ų6762.3 Ų62.369%0.69136%0.358SS*.THydrogen-bonded Turntrans74.513.3-178.800000114.4F436 A437 A438F436-G440 PolarHBondContact O-N 3.15Å; A437-G440 PolarHBondContact O-N 2.89Å; A438-G440 PolarHBondContact O-N 2.99Å
441Q87.1Confident89.3Confident123 Ų12362.2 Ų62.258%0.57536%0.357SS*.  trans-79150.9175.2-63.6-64-33.500110.4F436 A439 V443F436-Q441 HydrophobicContact CB-CB 4.19Å; F436-Q441 HydrophobicContact CD1-CB 4.24Å; F436-Q441 HydrophobicContact CD1-CG 4.18Å; F436-Q441 WeakPolarHBondContact O-CB 3.4Å; F436-Q441 PolarHBondContact O-N 2.85Å; A439-Q441 VanDerWaalsContact C-N 3.27Å; A439-Q441 HydrophobicContact CB-CG 4.42Å; A439-Q441 PolarHBondContact O-N 2.99Å; Q441-V443 PolarHBondContact O-N 2.86Å
442K86.3Confident89.7Confident209 Ų20961.2 Ų61.291%0.90935%0.352SS*.  trans-72.7114.2168.9-73.6-173.5179.8-177.30108.7
443V83.3Confident90Very high46 Ų4659.7 Ų59.728%0.27935%0.345SS..PPolyproline II helixtrans-92.7124.1179.6-167.90000108.6M428 A433 F436 A437 Q441M428-V443 HydrophobicContact CE-CG1 3.43Å; M428-V443 VanDerWaalsContact CE-CG1 3.43Å; M428-V443 HydrophobicContact SD-CG1 4.42Å; A433-V443 HydrophobicContact CB-CG1 3.71Å; A433-V443 WeakPolarHBondContact O-CG2 3.28Å; F436-V443 HydrophobicContact CB-CG2 3.64Å; A437-V443 HydrophobicContact CB-CG2 3.71Å; Q441-V443 PolarHBondContact O-N 2.86Å
444P83.2Confident90.1Very high93 Ų9359.4 Ų59.460%0.60434%0.342SS*.PPolyproline II helixtrans-55.3147.4168.3-24.133.5000111.1V446P444-V446 PolarHBondContact O-N 2.84Å
445E85.2Confident90.2Very high150 Ų15061.2 Ų61.270%0.70135%0.354SS*.PPolyproline II helixtrans-60.9124.3172.5-172.9179.2-176.800109.8K447E445-K447 PolarHBondContact O-N 3.31Å
446V90.5Very high90.6Very high28 Ų2860.2 Ų60.217%0.1735%0.348CS..  trans-79.8108.3176.8-178.50000108.1T423 M428 A433 P444 Y448T423-V446 HydrophobicContact CG2-CG1 3.66Å; M428-V446 HydrophobicContact CE-CG2 4.22Å; A433-V446 HydrophobicContact CB-CG2 3.65Å; P444-V446 PolarHBondContact O-N 2.84Å; V446-Y448 HydrophobicContact CB-CE2 4.04Å; V446-Y448 HydrophobicContact CG1-CD1 4.14Å; V446-Y448 HydrophobicContact CG1-CD2 4.36Å; V446-Y448 HydrophobicContact CG1-CE1 3.67Å; V446-Y448 HydrophobicContact CG1-CE2 3.9Å; V446-Y448 HydrophobicContact CG1-CG 4.47Å; V446-Y448 WeakPolarHBondContact O-CD2 3.39Å; V446-Y448 WeakPolarHBondContact O-CE2 3.31Å; V446-Y448 PolarHBondContact O-N 2.76Å
447K91.6Very high90.9Very high74 Ų7461.6 Ų61.632%0.32236%0.362SS..  trans-87.2106.2175.2-65.7-161.3176.7-152.30110.1E403 K406 E445E403-K447 WeakPolarHBondContact O-CE 3.16Å; E403-K447 PolarHBondContact O-NZ 2.81Å; K406-K447 HydrophobicContact CB-CB 3.96Å; K406-K447 WeakPolarHBondContact CB-O 3.12Å; E445-K447 PolarHBondContact O-N 3.31Å
448Y96.2Very high91.2Very high16 Ų1661 Ų616%0.06335%0.351CS..  trans-79.7152.7-178-62.5-83.3000113.1V405 K406 V421 S422 T423 T430 V446 L483 E486V405-Y448 CarbonylContact C-O 3.44Å; V405-Y448 WeakPolarHBondContact CA-O 3.44Å; V405-Y448 WeakPolarHBondContact CB-O 3.37Å; K406-Y448 PolarHBondContact N-O 2.82Å; V421-Y448 HydrophobicContact CB-CD1 3.79Å; V421-Y448 HydrophobicContact CB-CG 3.83Å; V421-Y448 HydrophobicContact CG1-CG 4.25Å; V421-Y448 HydrophobicContact CG2-CD1 4Å; V421-Y448 HydrophobicContact CG2-CE1 4.4Å; V421-Y448 HydrophobicContact CG2-CG 4.28Å; S422-Y448 WeakPolarHBondContact O-CA 3.18Å; T423-Y448 HydrophobicContact CG2-CD1 3.99Å; T423-Y448 HydrophobicContact CG2-CE1 3.95Å; T430-Y448 WeakPolarHBondContact OG1-CE1 3.42Å; T430-Y448 PolarHBondContact OG1-OH 2.92Å; V446-Y448 HydrophobicContact CB-CE2 4.04Å; V446-Y448 HydrophobicContact CG1-CD1 4.14Å; V446-Y448 HydrophobicContact CG1-CD2 4.36Å; V446-Y448 HydrophobicContact CG1-CE1 3.67Å; V446-Y448 HydrophobicContact CG1-CE2 3.9Å; V446-Y448 HydrophobicContact CG1-CG 4.47Å; V446-Y448 WeakPolarHBondContact O-CD2 3.39Å; V446-Y448 WeakPolarHBondContact O-CE2 3.31Å; V446-Y448 PolarHBondContact O-N 2.76Å; Y448-L483 HydrophobicContact CD2-CD2 3.69Å; Y448-L483 HydrophobicContact CE2-CD2 3.75Å; Y448-L483 HydrophobicContact CG-CD2 4.42Å; Y448-E486 HydrophobicContact CE1-CG 3.95Å
449I97Very high91.6Very high13 Ų1356.6 Ų56.67%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-87.2116.8161.8-62.1165.4000106.9V368 K406 D407 R409 V421 S422 E451V368-I449 HydrophobicContact CG2-CD1 3.61Å; K406-I449 HydrophobicContact CB-CG1 4.25Å; K406-I449 HydrophobicContact CD-CG1 4.31Å; K406-I449 HydrophobicContact CG-CG1 4.4Å; D407-I449 HydrophobicContact CB-CG1 4.35Å; D407-I449 HydrophobicContact CB-CG2 4.3Å; D407-I449 WeakPolarHBondContact O-CA 3.47Å; R409-I449 HydrophobicContact CG-CG2 4.02Å; V421-I449 WeakPolarHBondContact CA-O 3.15Å; S422-I449 PolarHBondContact N-O 3Å; S422-I449 PolarHBondContact O-N 2.96Å; I449-E451 HydrophobicContact CG2-CG 4.07Å
450F97.9Very high91.9Very high1 Ų157.6 Ų57.60%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-87.9114.9180-177.8-140000109.9V397 L401 V405 D407 V408 R409 A419 V421 L452 L478 L479 A482V397-F450 HydrophobicContact CG1-CD1 4.2Å; V397-F450 HydrophobicContact CG1-CE1 4.23Å; L401-F450 HydrophobicContact CD1-CD1 3.75Å; L401-F450 HydrophobicContact CD1-CE1 4.21Å; V405-F450 HydrophobicContact CG1-CB 4.25Å; D407-F450 PolarHBondContact O-N 2.99Å; V408-F450 CarbonylContact C-O 3.4Å; V408-F450 VanDerWaalsContact CA-O 3.27Å; V408-F450 WeakPolarHBondContact CA-O 3.21Å; V408-F450 HydrophobicContact CG1-CD1 4.1Å; V408-F450 HydrophobicContact CG2-CB 4.37Å; V408-F450 HydrophobicContact CG2-CD1 4.43Å; R409-F450 PolarHBondContact N-O 3.46Å; A419-F450 HydrophobicContact CB-CD2 4.38Å; A419-F450 HydrophobicContact CB-CE2 3.47Å; A419-F450 VanDerWaalsContact CB-CE2 3.47Å; A419-F450 HydrophobicContact CB-CZ 3.97Å; V421-F450 HydrophobicContact CG1-CD2 4.07Å; F450-L452 HydrophobicContact CD1-CD1 4.33Å; F450-L452 HydrophobicContact CD1-CG 4.41Å; F450-L452 HydrophobicContact CE1-CD1 4.03Å; F450-L452 HydrophobicContact CE1-CD2 3.86Å; F450-L452 HydrophobicContact CE1-CG 4.02Å; F450-L452 HydrophobicContact CE2-CD2 4.33Å; F450-L452 HydrophobicContact CZ-CD2 3.65Å; F450-L452 HydrophobicContact CZ-CG 4.17Å; F450-L478 HydrophobicContact CZ-CB 3.81Å; F450-L479 HydrophobicContact CB-CD1 4.4Å; F450-L479 HydrophobicContact CD1-CD1 4.4Å; F450-L479 HydrophobicContact CD2-CD1 3.79Å; F450-L479 HydrophobicContact CE1-CB 4.35Å; F450-L479 HydrophobicContact CE2-CB 4.23Å; F450-L479 HydrophobicContact CE2-CD1 4.07Å; F450-L479 HydrophobicContact CG-CD1 3.97Å; F450-L479 HydrophobicContact CZ-CB 4.02Å; F450-L479 HydrophobicContact CZ-CD1 4.5Å; F450-A482 HydrophobicContact CD2-CB 4.49Å; F450-A482 HydrophobicContact CE2-CB 4.13Å
451E96.8Very high92.2Very high0 Ų060.1 Ų60.10%030%0.295CS..EExtended strand (participates in β ladder)trans-110.6127.3-175.7-56.8-172.7-160.800111.2R409 T411 R413 A419 I420 I449R409-E451 HydrophobicContact CG-CG 3.83Å; R409-E451 IonicContact CZ-OE1 3.52Å; R409-E451 IonicContact NE-OE1 2.72Å; R409-E451 PolarHBondContact NE-OE1 3.29Å; R409-E451 IonicContact NH2-OE1 3.48Å; R409-E451 PolarHBondContact NH2-OE1 3.27Å; R409-E451 IonicContact NH2-OE2 3.27Å; R409-E451 CarbonylContact O-C 3.55Å; R409-E451 VanDerWaalsContact O-CA 3.29Å; R409-E451 WeakPolarHBondContact O-CA 3.13Å; T411-E451 WeakPolarHBondContact CB-OE2 3.34Å; T411-E451 HydrophobicContact CG2-CB 3.55Å; T411-E451 PolarHBondContact OG1-OE2 2.71Å; R413-E451 IonicContact CZ-OE1 3.31Å; R413-E451 IonicContact CZ-OE2 2.76Å; R413-E451 IonicContact NE-OE2 3.43Å; R413-E451 PolarHBondContact NE-OE2 3.48Å; R413-E451 IonicContact NH2-OE1 2.79Å; R413-E451 PolarHBondContact NH2-OE1 2.85Å; R413-E451 IonicContact NH2-OE2 3.54Å; R413-E451 PolarHBondContact NH2-OE2 2.92Å; A419-E451 CarbonylContact C-O 3.58Å; A419-E451 WeakPolarHBondContact CA-O 3.3Å; A419-E451 WeakPolarHBondContact CB-O 3.39Å; I420-E451 HydrophobicContact CG1-CB 3.82Å; I420-E451 HydrophobicContact CG1-CG 4.45Å; I420-E451 PolarHBondContact N-O 3.19Å; I420-E451 PolarHBondContact O-N 3.33Å; I449-E451 HydrophobicContact CG2-CG 4.07Å
452L97.2Very high92.5Very high1 Ų154.3 Ų54.31%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-110.7132.8-174.8-71.1157000110.6F393 I394 V397 V408 R409 L410 T411 A419 F450 P454 V459 L478F393-L452 HydrophobicContact CE1-CD1 3.85Å; F393-L452 HydrophobicContact CZ-CD1 4.16Å; I394-L452 HydrophobicContact CD1-CD1 3.8Å; V397-L452 HydrophobicContact CG1-CD1 4.47Å; V397-L452 HydrophobicContact CG2-CD1 4.44Å; V408-L452 HydrophobicContact CG1-CD1 3.85Å; R409-L452 PolarHBondContact O-N 3.4Å; L410-L452 CarbonylContact C-O 3.51Å; L410-L452 VanDerWaalsContact CA-O 3.31Å; L410-L452 WeakPolarHBondContact CA-O 3.46Å; L410-L452 HydrophobicContact CD2-CB 4.15Å; T411-L452 PolarHBondContact N-O 3.23Å; A419-L452 HydrophobicContact CB-CD2 3.96Å; F450-L452 HydrophobicContact CD1-CD1 4.33Å; F450-L452 HydrophobicContact CD1-CG 4.41Å; F450-L452 HydrophobicContact CE1-CD1 4.03Å; F450-L452 HydrophobicContact CE1-CD2 3.86Å; F450-L452 HydrophobicContact CE1-CG 4.02Å; F450-L452 HydrophobicContact CE2-CD2 4.33Å; F450-L452 HydrophobicContact CZ-CD2 3.65Å; F450-L452 HydrophobicContact CZ-CG 4.17Å; L452-P454 VanDerWaalsContact O-CD 3.29Å; L452-P454 WeakPolarHBondContact O-CD 3.38Å; L452-V459 HydrophobicContact CB-CG1 4.3Å; L452-V459 HydrophobicContact CD2-CG2 4.07Å; L452-L478 HydrophobicContact CD2-CD1 3.87Å
453N94.8Very high92.9Very high2 Ų245.6 Ų45.61%0.01123%0.234CC..  trans-77.7109.1174.4-178.4-11.9000109.7L414 T415 T417 P418 D455 H456 V459L414-N453 HydrophobicContact CB-CB 4.01Å; L414-N453 HydrophobicContact CD1-CB 4.15Å; L414-N453 PolarHBondContact O-ND2 3.24Å; T415-N453 PolarHBondContact O-ND2 2.76Å; T417-N453 WeakPolarHBondContact O-CB 3.39Å; T417-N453 PolarHBondContact O-ND2 2.93Å; T417-N453 VanDerWaalsContact O-ND2 3.13Å; P418-N453 WeakPolarHBondContact O-CB 3.28Å; P418-N453 PolarHBondContact O-N 3.26Å; N453-D455 PolarHBondContact O-N 2.88Å; N453-D455 VanDerWaalsContact O-N 3.15Å; N453-D455 PolarHBondContact OD1-N 3.23Å; N453-H456 HydrophobicContact CB-CB 3.95Å; N453-H456 PolarHBondContact O-N 3.01Å; N453-V459 VanDerWaalsContact O-CB 3.25Å; N453-V459 WeakPolarHBondContact O-CB 3.25Å; N453-V459 WeakPolarHBondContact O-CG1 3.39Å; N453-V459 VanDerWaalsContact O-CG2 3.28Å; N453-V459 WeakPolarHBondContact O-CG2 3.3Å
454P93Very high93.4Very high4 Ų449.7 Ų49.73%0.02626%0.255CS..THydrogen-bonded Turntrans-62.6-23.9-177.325.8-32.7000112.9L390 L410 T411 L452 K460L390-P454 HydrophobicContact CD1-CB 3.53Å; L410-P454 HydrophobicContact CD1-CB 4.39Å; L410-P454 HydrophobicContact CD2-CB 4.08Å; T411-P454 VanDerWaalsContact O-CD 3.25Å; T411-P454 WeakPolarHBondContact O-CD 3.15Å; L452-P454 VanDerWaalsContact O-CD 3.29Å; L452-P454 WeakPolarHBondContact O-CD 3.38Å; P454-K460 WeakPolarHBondContact O-CE 3.49Å
455D90.5Very high93.9Very high95 Ų9546.3 Ų46.351%0.50823%0.232SC..THydrogen-bonded Turntrans-86.4-19.2-176.2-73.2-45.1000113.9N453 K460N453-D455 PolarHBondContact O-N 2.88Å; N453-D455 VanDerWaalsContact O-N 3.15Å; N453-D455 PolarHBondContact OD1-N 3.23Å; D455-K460 PolarHBondContact O-NZ 3.38Å; D455-K460 IonicContact OD1-NZ 3.56Å
456H94.9Very high94.2Very high40 Ų4047.5 Ų47.519%0.18524%0.238CC..SBendtrans-71.4136-173.8-167.5-84.3000112.4D416 P418 N453 L458 V459 K460D416-H456 PolarHBondContact O-CD2 2.87Å; D416-H456 PolarHBondContact O-NE2 2.76Å; D416-H456 VanDerWaalsContact O-NE2 3.09Å; P418-H456 HydrophobicContact CB-CB 4.34Å; P418-H456 WeakPolarHBondContact CB-ND1 3.29Å; N453-H456 HydrophobicContact CB-CB 3.95Å; N453-H456 PolarHBondContact O-N 3.01Å; H456-L458 VanDerWaalsContact C-N 3.28Å; H456-L458 PolarHBondContact ND1-N 2.85Å; H456-L458 VanDerWaalsContact ND1-N 3.11Å; H456-L458 PolarHBondContact O-N 3.36Å; H456-V459 HydrophobicContact CB-CG2 4.2Å; H456-V459 PolarHBondContact O-N 3.26Å; H456-K460 PolarHBondContact O-N 2.94Å
457V94.7Very high94.3Very high110 Ų11050.2 Ų50.267%0.66725%0.252SS*.Hα-helixtrans-57.5-39.1-174.91790000112.5R461V457-R461 WeakPolarHBondContact O-CB 3.5Å; V457-R461 PolarHBondContact O-N 2.76Å
458L94.2Very high94.4Very high46 Ų4652.7 Ų52.724%0.24126%0.264CS..Hα-helixtrans-68.3-33.3177.6-63.5-179000113.2H456 A462 W474 L478H456-L458 VanDerWaalsContact C-N 3.28Å; H456-L458 PolarHBondContact ND1-N 2.85Å; H456-L458 VanDerWaalsContact ND1-N 3.11Å; H456-L458 PolarHBondContact O-N 3.36Å; L458-A462 WeakPolarHBondContact O-CB 3.46Å; L458-A462 PolarHBondContact O-N 2.83Å; L458-W474 HydrophobicContact CD2-CH2 3.98Å; L458-W474 HydrophobicContact CD2-CZ3 3.75Å; L458-L478 HydrophobicContact CB-CD2 4.24Å
459V95.3Very high94.2Very high0 Ų055.2 Ų55.20%029%0.288CS..Hα-helixtrans-70.8-43.9177177.30000109.7F393 P418 L452 N453 H456 R461 A462 A463 L478F393-V459 HydrophobicContact CE1-CG1 3.75Å; F393-V459 HydrophobicContact CZ-CG1 4.19Å; P418-V459 HydrophobicContact CB-CG2 4.09Å; P418-V459 VanDerWaalsContact O-CG2 3.3Å; P418-V459 WeakPolarHBondContact O-CG2 3.24Å; L452-V459 HydrophobicContact CB-CG1 4.3Å; L452-V459 HydrophobicContact CD2-CG2 4.07Å; N453-V459 VanDerWaalsContact O-CB 3.25Å; N453-V459 WeakPolarHBondContact O-CB 3.25Å; N453-V459 WeakPolarHBondContact O-CG1 3.39Å; N453-V459 VanDerWaalsContact O-CG2 3.28Å; N453-V459 WeakPolarHBondContact O-CG2 3.3Å; H456-V459 HydrophobicContact CB-CG2 4.2Å; H456-V459 PolarHBondContact O-N 3.26Å; V459-R461 PolarHBondContact O-N 3.27Å; V459-A462 WeakPolarHBondContact O-CB 3.27Å; V459-A462 PolarHBondContact O-N 2.89Å; V459-A463 WeakPolarHBondContact O-CB 3.48Å; V459-A463 PolarHBondContact O-N 2.98Å; V459-L478 HydrophobicContact CG2-CD1 4.21Å
460K93.4Very high94Very high92 Ų9259.6 Ų59.640%0.431%0.307SS..Hα-helixtrans-58.8-46.2172.6-68.7173.9177.1159.10111.7P454 D455 H456 A462 A463 D464P454-K460 WeakPolarHBondContact O-CE 3.49Å; D455-K460 PolarHBondContact O-NZ 3.38Å; D455-K460 IonicContact OD1-NZ 3.56Å; H456-K460 PolarHBondContact O-N 2.94Å; K460-A462 VanDerWaalsContact C-N 3.33Å; K460-A462 PolarHBondContact O-N 3.28Å; K460-A463 WeakPolarHBondContact O-CB 3.48Å; K460-A463 PolarHBondContact O-N 3.3Å; K460-A463 VanDerWaalsContact O-N 3.15Å; K460-D464 PolarHBondContact O-N 3.01Å
461R93.2Very high93.8Very high120 Ų12059.6 Ų59.645%0.45331%0.307SS..Hα-helixtrans-60.7-41.1176-176.9170.1-178.9157.6-6.8112.4V457 V459 T465 W474V457-R461 WeakPolarHBondContact O-CB 3.5Å; V457-R461 PolarHBondContact O-N 2.76Å; V459-R461 PolarHBondContact O-N 3.27Å; R461-T465 PolarHBondContact O-N 2.65Å; R461-T465 PolarHBondContact O-OG1 2.67Å; R461-W474 HydrophobicContact CG-CZ2 4.23Å; R461-W474 VanDerWaalsContact NE-CZ2 3.33Å
462A94.2Very high93.8Very high0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-63.8-42.817500000111.2F393 L458 V459 K460 D464 T465 F471 W474 L478F393-A462 HydrophobicContact CE2-CB 3.98Å; F393-A462 HydrophobicContact CZ-CB 4.15Å; L458-A462 WeakPolarHBondContact O-CB 3.46Å; L458-A462 PolarHBondContact O-N 2.83Å; V459-A462 WeakPolarHBondContact O-CB 3.27Å; V459-A462 PolarHBondContact O-N 2.89Å; K460-A462 VanDerWaalsContact C-N 3.33Å; K460-A462 PolarHBondContact O-N 3.28Å; A462-D464 PolarHBondContact O-N 2.95Å; A462-T465 WeakPolarHBondContact O-CB 3.39Å; A462-T465 PolarHBondContact O-N 3.45Å; A462-F471 WeakPolarHBondContact O-CD2 3.42Å; A462-W474 HydrophobicContact CB-CB 3.77Å; A462-W474 HydrophobicContact CB-CG 4.25Å; A462-L478 HydrophobicContact CB-CD1 4.28Å
463A93.8Very high93.7Very high26 Ų2663.2 Ų63.222%0.21533%0.327CS..Hα-helixtrans-63.3-39.2177.700000113.2L390 F393 V459 K460 T465L390-A463 HydrophobicContact CD2-CB 3.61Å; F393-A463 HydrophobicContact CB-CB 4.03Å; F393-A463 HydrophobicContact CD1-CB 4.16Å; F393-A463 VanDerWaalsContact CD2-CA 3.47Å; F393-A463 HydrophobicContact CD2-CB 3.75Å; F393-A463 HydrophobicContact CE2-CB 4.21Å; F393-A463 HydrophobicContact CG-CB 3.71Å; V459-A463 WeakPolarHBondContact O-CB 3.48Å; V459-A463 PolarHBondContact O-N 2.98Å; K460-A463 WeakPolarHBondContact O-CB 3.48Å; K460-A463 PolarHBondContact O-N 3.3Å; K460-A463 VanDerWaalsContact O-N 3.15Å; A463-T465 VanDerWaalsContact C-N 3.27Å; A463-T465 PolarHBondContact O-N 3.16Å
464D93.1Very high93.7Very high133 Ų13364 Ų6471%0.71133%0.33SS*.THydrogen-bonded Turntrans-78.9-5.8178.8-66.1-24.8000113.6K460 A462 E466K460-D464 PolarHBondContact O-N 3.01Å; A462-D464 PolarHBondContact O-N 2.95Å; D464-E466 PolarHBondContact O-N 3.32Å
465T93.6Very high93.9Very high21 Ų2163.8 Ų63.813%0.12933%0.329CS..  trans-79.8106.5-178.1-63.10000110.9R396 R461 A462 A463 K470 F471R396-T465 PolarHBondContact NH1-O 3.33Å; R461-T465 PolarHBondContact O-N 2.65Å; R461-T465 PolarHBondContact O-OG1 2.67Å; A462-T465 WeakPolarHBondContact O-CB 3.39Å; A462-T465 PolarHBondContact O-N 3.45Å; A463-T465 VanDerWaalsContact C-N 3.27Å; A463-T465 PolarHBondContact O-N 3.16Å; T465-K470 HydrophobicContact CG2-CB 3.61Å; T465-F471 HydrophobicContact CG2-CB 4.16Å
466E92.1Very high94.2Very high176 Ų17660.4 Ų60.482%0.82231%0.31SS*.  trans-73.5-40.4178.4-63.4-175.6170.500112.9R396 D464 E468R396-E466 PolarHBondContact NH2-O 2.88Å; R396-E466 VanDerWaalsContact NH2-O 3.13Å; D464-E466 PolarHBondContact O-N 3.32Å; E466-E468 PolarHBondContact O-N 3.09Å
467D93.2Very high94.3Very high85 Ų8558.9 Ų58.946%0.45530%0.303SS..SBendtrans-61.9117.5-179.6-178.8-70.3000111.4A469 K470 F471D467-A469 VanDerWaalsContact C-N 3.3Å; D467-A469 PolarHBondContact O-N 2.55Å; D467-A469 WeakPolarHBondContact OD1-CA 3.49Å; D467-A469 WeakPolarHBondContact OD1-CB 3.29Å; D467-A469 PolarHBondContact OD1-N 3.33Å; D467-K470 HydrophobicContact CB-CB 4.17Å; D467-K470 HydrophobicContact CB-CD 4.28Å; D467-K470 HydrophobicContact CB-CG 4.29Å; D467-K470 PolarHBondContact O-N 3.3Å; D467-K470 PolarHBondContact OD1-N 3Å; D467-F471 VanDerWaalsContact O-CB 3.29Å; D467-F471 WeakPolarHBondContact O-CB 3.42Å; D467-F471 PolarHBondContact O-N 3.37Å
468E92.5Very high94.4Very high126 Ų12653.7 Ų53.759%0.58927%0.271SS*.Hα-helixtrans-59.8-35.9-175.1-69.2-61156.600113.8R396 E466 S472R396-E468 IonicContact CZ-OE1 3.6Å; R396-E468 IonicContact CZ-OE2 3.41Å; R396-E468 IonicContact NE-OE1 2.68Å; R396-E468 PolarHBondContact NE-OE1 3.09Å; R396-E468 IonicContact NE-OE2 3.56Å; R396-E468 PolarHBondContact NE-OE2 2.94Å; R396-E468 IonicContact NH2-OE1 2.7Å; R396-E468 PolarHBondContact NH2-OE1 2.71Å; R396-E468 IonicContact NH2-OE2 3.58Å; R396-E468 PolarHBondContact NH2-OE2 2.52Å; E466-E468 PolarHBondContact O-N 3.09Å; E468-S472 WeakPolarHBondContact O-CB 3.38Å; E468-S472 PolarHBondContact O-N 3.27Å
469A92.3Very high94.6Very high68 Ų6851.7 Ų51.756%0.56226%0.261SS*.Hα-helixtrans-70.9-46-179.800000110.3D467 S472 E473D467-A469 VanDerWaalsContact C-N 3.3Å; D467-A469 PolarHBondContact O-N 2.55Å; D467-A469 WeakPolarHBondContact OD1-CA 3.49Å; D467-A469 WeakPolarHBondContact OD1-CB 3.29Å; D467-A469 PolarHBondContact OD1-N 3.33Å; A469-S472 PolarHBondContact O-N 3.13Å; A469-E473 WeakPolarHBondContact O-CG 3.35Å; A469-E473 PolarHBondContact O-N 3.21Å
470K92.7Very high94.7Very high105 Ų10552.6 Ų52.646%0.45727%0.266SS..Hα-helixtrans-65.8-38.9176.1-68.3-175.7179.4-176.50112.4T465 D467 S472 E473 W474T465-K470 HydrophobicContact CG2-CB 3.61Å; D467-K470 HydrophobicContact CB-CB 4.17Å; D467-K470 HydrophobicContact CB-CD 4.28Å; D467-K470 HydrophobicContact CB-CG 4.29Å; D467-K470 PolarHBondContact O-N 3.3Å; D467-K470 PolarHBondContact OD1-N 3Å; K470-S472 VanDerWaalsContact C-N 3.33Å; K470-E473 PolarHBondContact O-N 3.09Å; K470-W474 VanDerWaalsContact O-CD1 3.22Å; K470-W474 PolarHBondContact O-N 3.27Å
471F95Very high94.8Very high1 Ų151.1 Ų51.10%0.00426%0.26CS..Hα-helixtrans-57.5-48.9174.8171.5-97.9000110.6F393 R396 V397 L400 A462 T465 D467 E473 W474 V475F393-F471 AromaticContact CD2-CE2 3.71Å; F393-F471 HydrophobicContact CD2-CE2 3.71Å; F393-F471 HydrophobicContact CD2-CZ 4.31Å; F393-F471 AromaticContact CE2-CE2 3.67Å; F393-F471 HydrophobicContact CE2-CE2 3.67Å; F393-F471 HydrophobicContact CE2-CZ 4.29Å; R396-F471 HydrophobicContact CB-CE1 4.3Å; R396-F471 HydrophobicContact CB-CZ 3.9Å; R396-F471 HydrophobicContact CG-CD1 4.34Å; R396-F471 HydrophobicContact CG-CE1 3.6Å; R396-F471 HydrophobicContact CG-CE2 4.38Å; R396-F471 HydrophobicContact CG-CZ 3.63Å; R396-F471 VanDerWaalsContact CZ-CG 3.47Å; V397-F471 HydrophobicContact CG2-CZ 3.92Å; L400-F471 HydrophobicContact CD2-CE1 4.19Å; A462-F471 WeakPolarHBondContact O-CD2 3.42Å; T465-F471 HydrophobicContact CG2-CB 4.16Å; D467-F471 VanDerWaalsContact O-CB 3.29Å; D467-F471 WeakPolarHBondContact O-CB 3.42Å; D467-F471 PolarHBondContact O-N 3.37Å; F471-E473 PolarHBondContact O-N 3.2Å; F471-W474 PolarHBondContact O-N 2.76Å; F471-V475 HydrophobicContact CD1-CG2 4.41Å; F471-V475 HydrophobicContact CD2-CG2 4.41Å; F471-V475 HydrophobicContact CE1-CG2 3.89Å; F471-V475 HydrophobicContact CE2-CG2 3.91Å; F471-V475 HydrophobicContact CZ-CG2 3.61Å; F471-V475 WeakPolarHBondContact O-CG2 3.39Å; F471-V475 PolarHBondContact O-N 3.25Å
472S95.5Very high95Very high30 Ų3045.5 Ų45.521%0.2124%0.239CC..Hα-helixtrans-57.5-47.7176.6-175.90000111.8E468 A469 K470 W474 V475 E476E468-S472 WeakPolarHBondContact O-CB 3.38Å; E468-S472 PolarHBondContact O-N 3.27Å; A469-S472 PolarHBondContact O-N 3.13Å; K470-S472 VanDerWaalsContact C-N 3.33Å; S472-W474 VanDerWaalsContact C-N 3.31Å; S472-W474 PolarHBondContact O-N 3.49Å; S472-V475 PolarHBondContact O-N 2.86Å; S472-E476 WeakPolarHBondContact O-CB 3.49Å; S472-E476 WeakPolarHBondContact O-CG 3.5Å; S472-E476 PolarHBondContact O-N 3.39Å
473E95.3Very high95.1Very high48 Ų4846.5 Ų46.522%0.22425%0.245CC..Hα-helixtrans-61.1-36.9177.7-64.8-57.6160.100112.9A469 K470 F471 L477 R499 L503A469-E473 WeakPolarHBondContact O-CG 3.35Å; A469-E473 PolarHBondContact O-N 3.21Å; K470-E473 PolarHBondContact O-N 3.09Å; F471-E473 PolarHBondContact O-N 3.2Å; E473-L477 VanDerWaalsContact O-CB 3.3Å; E473-L477 WeakPolarHBondContact O-CB 3.31Å; E473-L477 PolarHBondContact O-N 2.91Å; E473-R499 WeakPolarHBondContact O-CD 3Å; E473-R499 WeakPolarHBondContact OE2-CD 3.48Å; E473-R499 VanDerWaalsContact OE2-CG 3.31Å; E473-R499 WeakPolarHBondContact OE2-CG 3.37Å; E473-R499 IonicContact OE2-CZ 3.24Å; E473-R499 IonicContact OE2-NE 3.96Å; E473-R499 PolarHBondContact OE2-NE 3.01Å; E473-R499 IonicContact OE2-NH2 3.42Å; E473-L503 HydrophobicContact CB-CD1 4.25Å; E473-L503 HydrophobicContact CB-CD2 4.04Å; E473-L503 HydrophobicContact CB-CG 4.32Å
474W95.6Very high95.1Very high17 Ų1748.4 Ų48.46%0.06425%0.251CS..Hα-helixtrans-65.1-48.5174.6-82.4117.7000112.4L458 R461 A462 K470 F471 S472 E476 L477 L478 L503L458-W474 HydrophobicContact CD2-CH2 3.98Å; L458-W474 HydrophobicContact CD2-CZ3 3.75Å; R461-W474 HydrophobicContact CG-CZ2 4.23Å; R461-W474 VanDerWaalsContact NE-CZ2 3.33Å; A462-W474 HydrophobicContact CB-CB 3.77Å; A462-W474 HydrophobicContact CB-CG 4.25Å; K470-W474 VanDerWaalsContact O-CD1 3.22Å; K470-W474 PolarHBondContact O-N 3.27Å; F471-W474 PolarHBondContact O-N 2.76Å; S472-W474 VanDerWaalsContact C-N 3.31Å; S472-W474 PolarHBondContact O-N 3.49Å; W474-E476 VanDerWaalsContact C-N 3.33Å; W474-E476 PolarHBondContact O-N 2.92Å; W474-L477 HydrophobicContact CE3-CD2 4.07Å; W474-L477 HydrophobicContact CZ3-CD2 3.84Å; W474-L477 PolarHBondContact O-N 3.15Å; W474-L478 VanDerWaalsContact O-CG 3.3Å; W474-L478 WeakPolarHBondContact O-CG 3.16Å; W474-L478 PolarHBondContact O-N 2.9Å; W474-L503 HydrophobicContact CD2-CD1 4.26Å; W474-L503 HydrophobicContact CD2-CD2 4.1Å; W474-L503 HydrophobicContact CE3-CD1 4.09Å; W474-L503 HydrophobicContact CG-CD2 4.39Å; W474-L503 HydrophobicContact CH2-CB 4.42Å; W474-L503 HydrophobicContact CZ2-CD2 4.05Å; W474-L503 HydrophobicContact CZ3-CD1 4.29Å
475V97.1Very high95.2Very high1 Ų145 Ų451%0.00624%0.241CC..Hα-helixtrans-62.2-44.3-179.7172.90000110.9V397 L400 L401 F471 S472 L477 L478 L479V397-V475 HydrophobicContact CG1-CG1 3.76Å; V397-V475 HydrophobicContact CG2-CG1 4.43Å; V397-V475 HydrophobicContact CG2-CG2 3.82Å; L400-V475 HydrophobicContact CD2-CB 3.72Å; L400-V475 HydrophobicContact CD2-CG1 3.78Å; L400-V475 HydrophobicContact CD2-CG2 4.19Å; L401-V475 HydrophobicContact CD1-CG1 4.18Å; L401-V475 HydrophobicContact CD2-CG1 4.07Å; L401-V475 HydrophobicContact CG-CG1 4.12Å; F471-V475 HydrophobicContact CD1-CG2 4.41Å; F471-V475 HydrophobicContact CD2-CG2 4.41Å; F471-V475 HydrophobicContact CE1-CG2 3.89Å; F471-V475 HydrophobicContact CE2-CG2 3.91Å; F471-V475 HydrophobicContact CZ-CG2 3.61Å; F471-V475 WeakPolarHBondContact O-CG2 3.39Å; F471-V475 PolarHBondContact O-N 3.25Å; S472-V475 PolarHBondContact O-N 2.86Å; V475-L477 VanDerWaalsContact C-N 3.35Å; V475-L477 PolarHBondContact O-N 3.15Å; V475-L478 PolarHBondContact O-N 2.9Å; V475-L479 WeakPolarHBondContact O-CB 3.49Å; V475-L479 PolarHBondContact O-N 3.42Å
476E96.4Very high95.2Very high23 Ų2344.9 Ų44.911%0.10724%0.239CC..Hα-helixtrans-64.2-39.3177.2-67-75.4-175.600112R404 S472 W474 L479 D480R404-E476 IonicContact CZ-OE1 2.55Å; R404-E476 IonicContact CZ-OE2 3.27Å; R404-E476 VanDerWaalsContact NH1-CD 3.33Å; R404-E476 IonicContact NH1-OE1 3.67Å; R404-E476 PolarHBondContact NH1-OE1 3.41Å; R404-E476 IonicContact NH1-OE2 2.65Å; R404-E476 PolarHBondContact NH1-OE2 3.26Å; R404-E476 IonicContact NH2-OE1 3.09Å; R404-E476 IonicContact NH2-OE2 2.67Å; R404-E476 PolarHBondContact NH2-OE2 3.41Å; S472-E476 WeakPolarHBondContact O-CB 3.49Å; S472-E476 WeakPolarHBondContact O-CG 3.5Å; S472-E476 PolarHBondContact O-N 3.39Å; W474-E476 VanDerWaalsContact C-N 3.33Å; W474-E476 PolarHBondContact O-N 2.92Å; E476-L479 PolarHBondContact O-N 3.21Å; E476-D480 WeakPolarHBondContact O-CB 3.29Å; E476-D480 VanDerWaalsContact O-CG 3.23Å; E476-D480 PolarHBondContact O-N 3.37Å
477L96.6Very high95.2Very high8 Ų838.5 Ų38.54%0.04221%0.207CC..Hα-helixtrans-61.4-45.9175178.971.5000110.9E473 W474 V475 D480 Q481 F496 R499 M500 L503E473-L477 VanDerWaalsContact O-CB 3.3Å; E473-L477 WeakPolarHBondContact O-CB 3.31Å; E473-L477 PolarHBondContact O-N 2.91Å; W474-L477 HydrophobicContact CE3-CD2 4.07Å; W474-L477 HydrophobicContact CZ3-CD2 3.84Å; W474-L477 PolarHBondContact O-N 3.15Å; V475-L477 VanDerWaalsContact C-N 3.35Å; V475-L477 PolarHBondContact O-N 3.15Å; L477-D480 PolarHBondContact O-N 2.72Å; L477-Q481 WeakPolarHBondContact O-CB 3.25Å; L477-Q481 VanDerWaalsContact O-CG 3.29Å; L477-Q481 WeakPolarHBondContact O-CG 3.31Å; L477-Q481 PolarHBondContact O-N 3.22Å; L477-F496 HydrophobicContact CD1-CD2 4.12Å; L477-F496 HydrophobicContact CD1-CE2 3.65Å; L477-F496 HydrophobicContact CD1-CZ 4.48Å; L477-R499 HydrophobicContact CB-CG 4.23Å; L477-R499 HydrophobicContact CD1-CG 4.49Å; L477-M500 HydrophobicContact CD1-CB 4.16Å; L477-L503 HydrophobicContact CB-CD1 3.9Å; L477-L503 HydrophobicContact CD2-CD1 3.6Å; L477-L503 HydrophobicContact CG-CD1 4.25Å
478L97.6Very high95.1Very high1 Ų137 Ų371%0.00521%0.213CC..Hα-helixtrans-63.9-42179.9-69178.8000111.5P418 F450 L452 L458 V459 A462 W474 V475 Q481 A482P418-L478 HydrophobicContact CB-CD2 3.59Å; P418-L478 HydrophobicContact CG-CD2 3.85Å; F450-L478 HydrophobicContact CZ-CB 3.81Å; L452-L478 HydrophobicContact CD2-CD1 3.87Å; L458-L478 HydrophobicContact CB-CD2 4.24Å; V459-L478 HydrophobicContact CG2-CD1 4.21Å; A462-L478 HydrophobicContact CB-CD1 4.28Å; W474-L478 VanDerWaalsContact O-CG 3.3Å; W474-L478 WeakPolarHBondContact O-CG 3.16Å; W474-L478 PolarHBondContact O-N 2.9Å; V475-L478 PolarHBondContact O-N 2.9Å; L478-Q481 PolarHBondContact O-N 2.86Å; L478-A482 PolarHBondContact O-N 2.91Å; L478-A482 VanDerWaalsContact O-N 3.09Å
479L97.5Very high95Very high4 Ų434.9 Ų34.92%0.02121%0.208CC..Hα-helixtrans-65.8-44.9176.2-17961.6000111.5L401 V405 V421 F450 V475 E476 Q481 A482 L483L401-L479 HydrophobicContact CD1-CD2 4.06Å; L401-L479 HydrophobicContact CD2-CD2 3.66Å; L401-L479 HydrophobicContact CG-CD2 4.5Å; V405-L479 HydrophobicContact CG1-CD1 4.11Å; V405-L479 HydrophobicContact CG1-CD2 4.29Å; V421-L479 HydrophobicContact CG1-CD1 4.05Å; F450-L479 HydrophobicContact CB-CD1 4.4Å; F450-L479 HydrophobicContact CD1-CD1 4.4Å; F450-L479 HydrophobicContact CD2-CD1 3.79Å; F450-L479 HydrophobicContact CE1-CB 4.35Å; F450-L479 HydrophobicContact CE2-CB 4.23Å; F450-L479 HydrophobicContact CE2-CD1 4.07Å; F450-L479 HydrophobicContact CG-CD1 3.97Å; F450-L479 HydrophobicContact CZ-CB 4.02Å; F450-L479 HydrophobicContact CZ-CD1 4.5Å; V475-L479 WeakPolarHBondContact O-CB 3.49Å; V475-L479 PolarHBondContact O-N 3.42Å; E476-L479 PolarHBondContact O-N 3.21Å; L479-Q481 VanDerWaalsContact C-N 3.35Å; L479-Q481 PolarHBondContact O-N 3.13Å; L479-A482 PolarHBondContact O-N 3.32Å; L479-L483 HydrophobicContact CD1-CD1 4.15Å; L479-L483 HydrophobicContact CD1-CG 4.17Å; L479-L483 HydrophobicContact CG-CD1 3.88Å; L479-L483 HydrophobicContact CG-CG 4.35Å; L479-L483 WeakPolarHBondContact O-CB 3.47Å; L479-L483 WeakPolarHBondContact O-CG 3.5Å; L479-L483 PolarHBondContact O-N 3.44Å
480D97.1Very high95.1Very high20 Ų2032.3 Ų32.311%0.10719%0.185CC..Hα-helixtrans-61.9-41.1176.8-76-24.4000111.8E476 L477 L483 L484 L490 F496 R499E476-D480 WeakPolarHBondContact O-CB 3.29Å; E476-D480 VanDerWaalsContact O-CG 3.23Å; E476-D480 PolarHBondContact O-N 3.37Å; L477-D480 PolarHBondContact O-N 2.72Å; D480-L483 PolarHBondContact O-N 3.45Å; D480-L484 WeakPolarHBondContact O-CB 3.41Å; D480-L484 PolarHBondContact O-N 2.94Å; D480-L490 HydrophobicContact CB-CD1 4.11Å; D480-L490 HydrophobicContact CB-CD2 4.42Å; D480-L490 WeakPolarHBondContact O-CD2 3.49Å; D480-F496 HydrophobicContact CB-CD2 3.38Å; D480-F496 HydrophobicContact CB-CE2 3.86Å; D480-F496 HydrophobicContact CB-CG 4.3Å; D480-R499 IonicContact OD2-CZ 2.65Å; D480-R499 IonicContact OD2-NH1 3.44Å; D480-R499 PolarHBondContact OD2-NH1 3.03Å
481Q96.4Very high94.9Very high60 Ų6035.6 Ų35.628%0.2820%0.202SC..Hα-helixtrans-60.7-45.8175.5-76179-3.600111.4L477 L478 L479 L484 A485 F496L477-Q481 WeakPolarHBondContact O-CB 3.25Å; L477-Q481 VanDerWaalsContact O-CG 3.29Å; L477-Q481 WeakPolarHBondContact O-CG 3.31Å; L477-Q481 PolarHBondContact O-N 3.22Å; L478-Q481 PolarHBondContact O-N 2.86Å; L479-Q481 VanDerWaalsContact C-N 3.35Å; L479-Q481 PolarHBondContact O-N 3.13Å; Q481-L484 PolarHBondContact O-N 2.85Å; Q481-A485 WeakPolarHBondContact O-CB 3.46Å; Q481-A485 PolarHBondContact O-N 3.47Å; Q481-F496 HydrophobicContact CG-CE2 3.92Å; Q481-F496 HydrophobicContact CG-CZ 4.16Å
482A97.1Very high94.8Very high2 Ų239.4 Ų39.42%0.01722%0.222CC..Hα-helixtrans-63.9-45.7177.800000111.9A419 V421 F450 L478 L479 L484 A485 E486A419-A482 HydrophobicContact CB-CB 4.36Å; V421-A482 HydrophobicContact CG1-CB 3.95Å; V421-A482 HydrophobicContact CG2-CB 4.31Å; F450-A482 HydrophobicContact CD2-CB 4.49Å; F450-A482 HydrophobicContact CE2-CB 4.13Å; L478-A482 PolarHBondContact O-N 2.91Å; L478-A482 VanDerWaalsContact O-N 3.09Å; L479-A482 PolarHBondContact O-N 3.32Å; A482-L484 VanDerWaalsContact C-N 3.35Å; A482-L484 PolarHBondContact O-N 3.44Å; A482-A485 PolarHBondContact O-N 3.35Å; A482-E486 WeakPolarHBondContact O-CB 3.48Å; A482-E486 PolarHBondContact O-N 3.06Å
483L95.7Very high94.8Very high22 Ų2240.9 Ų40.912%0.11523%0.231CC..Hα-helixtrans-64.7-37.2176.9-73.4171.9000112.4V421 Y448 L479 D480 R487 L490V421-L483 HydrophobicContact CG1-CD2 4.32Å; V421-L483 HydrophobicContact CG2-CD2 4.29Å; Y448-L483 HydrophobicContact CD2-CD2 3.69Å; Y448-L483 HydrophobicContact CE2-CD2 3.75Å; Y448-L483 HydrophobicContact CG-CD2 4.42Å; L479-L483 HydrophobicContact CD1-CD1 4.15Å; L479-L483 HydrophobicContact CD1-CG 4.17Å; L479-L483 HydrophobicContact CG-CD1 3.88Å; L479-L483 HydrophobicContact CG-CG 4.35Å; L479-L483 WeakPolarHBondContact O-CB 3.47Å; L479-L483 WeakPolarHBondContact O-CG 3.5Å; L479-L483 PolarHBondContact O-N 3.44Å; D480-L483 PolarHBondContact O-N 3.45Å; L483-R487 VanDerWaalsContact O-CB 3.23Å; L483-R487 WeakPolarHBondContact O-CB 3.05Å; L483-R487 WeakPolarHBondContact O-CG 3.39Å; L483-R487 PolarHBondContact O-N 3.42Å; L483-L490 HydrophobicContact CB-CD2 3.88Å
484L95.1Very high94.9Very high66 Ų6644.2 Ų44.235%0.34625%0.251SS..Hα-helixtrans-66-43.1175.317961000110.7D480 Q481 A482 G488 L490 F496D480-L484 WeakPolarHBondContact O-CB 3.41Å; D480-L484 PolarHBondContact O-N 2.94Å; Q481-L484 PolarHBondContact O-N 2.85Å; A482-L484 VanDerWaalsContact C-N 3.35Å; A482-L484 PolarHBondContact O-N 3.44Å; L484-G488 WeakPolarHBondContact O-CA 3.28Å; L484-G488 PolarHBondContact O-N 2.89Å; L484-L490 HydrophobicContact CB-CD1 4.21Å; L484-L490 HydrophobicContact CB-CD2 4.11Å; L484-L490 HydrophobicContact CB-CG 4.03Å; L484-L490 HydrophobicContact CD1-CG 4.21Å; L484-F496 HydrophobicContact CD2-CE1 4.17Å; L484-F496 HydrophobicContact CD2-CZ 4.4Å
485A94Very high94.8Very high60 Ų6046.7 Ų46.750%0.49627%0.265SS..Hα-helixtrans-64.2-41.7176.900000112.3P327 Q481 A482P327-A485 HydrophobicContact CG-CB 4.36Å; Q481-A485 WeakPolarHBondContact O-CB 3.46Å; Q481-A485 PolarHBondContact O-N 3.47Å; A482-A485 PolarHBondContact O-N 3.35Å
486E94.2Very high94.8Very high20 Ų2047.9 Ų47.99%0.09327%0.27CS..Hα-helixtrans-76.1-46.3-178.617962.1-154.300112.6H328 V421 T430 Y448 A482H328-E486 IonicContact CD2-OE2 3.24Å; H328-E486 IonicContact CE1-OE2 3.93Å; H328-E486 IonicContact NE2-OE2 2.76Å; H328-E486 PolarHBondContact NE2-OE2 2.96Å; V421-E486 HydrophobicContact CG2-CB 3.39Å; V421-E486 HydrophobicContact CG2-CG 3.7Å; T430-E486 VanDerWaalsContact CB-OE1 3.3Å; T430-E486 WeakPolarHBondContact CB-OE1 2.9Å; T430-E486 HydrophobicContact CG2-CG 4.23Å; T430-E486 VanDerWaalsContact OG1-CG 3.28Å; T430-E486 WeakPolarHBondContact OG1-CG 3.3Å; T430-E486 PolarHBondContact OG1-OE1 3.23Å; Y448-E486 HydrophobicContact CE1-CG 3.95Å; A482-E486 WeakPolarHBondContact O-CB 3.48Å; A482-E486 PolarHBondContact O-N 3.06Å
487R91.9Very high94.7Very high41 Ų4150.4 Ų50.416%0.15528%0.283CS..Hα-helixtrans-94.9-15.3-173.5-51.5-173.5-47.5177.610.9113.3T430 K434 L483 T489 E491T430-R487 HydrophobicContact CG2-CB 4.24Å; T430-R487 HydrophobicContact CG2-CG 3.85Å; K434-R487 WeakPolarHBondContact CE-O 3.37Å; K434-R487 PolarHBondContact NZ-O 3.5Å; L483-R487 VanDerWaalsContact O-CB 3.23Å; L483-R487 WeakPolarHBondContact O-CB 3.05Å; L483-R487 WeakPolarHBondContact O-CG 3.39Å; L483-R487 PolarHBondContact O-N 3.42Å; R487-T489 PolarHBondContact NE-O 3.05Å; R487-T489 PolarHBondContact NH2-O 3.37Å; R487-T489 PolarHBondContact O-N 2.99Å; R487-T489 VanDerWaalsContact O-N 3.14Å; R487-E491 IonicContact NH1-OE1 2.76Å; R487-E491 PolarHBondContact NH1-OE1 2.86Å
488G90.7Very high94.7Very high55 Ų5557.9 Ų57.957%0.56731%0.311SS*.SBendtrans68.60.9-17200000114.4L484L484-G488 WeakPolarHBondContact O-CA 3.28Å; L484-G488 PolarHBondContact O-N 2.89Å
489T91.9Very high94.5Very high81 Ų8158.7 Ų58.750%0.49731%0.314SS..  trans-154.1155.8-179.7-168.50000112.2R487R487-T489 PolarHBondContact NE-O 3.05Å; R487-T489 PolarHBondContact NH2-O 3.37Å; R487-T489 PolarHBondContact O-N 2.99Å; R487-T489 VanDerWaalsContact O-N 3.14Å
490L93.2Very high94.4Very high14 Ų1461.7 Ų61.77%0.07333%0.329CS..  trans-115.1153.9174.5-67177.1000110.6D480 L483 L484 P493 F496D480-L490 HydrophobicContact CB-CD1 4.11Å; D480-L490 HydrophobicContact CB-CD2 4.42Å; D480-L490 WeakPolarHBondContact O-CD2 3.49Å; L483-L490 HydrophobicContact CB-CD2 3.88Å; L484-L490 HydrophobicContact CB-CD1 4.21Å; L484-L490 HydrophobicContact CB-CD2 4.11Å; L484-L490 HydrophobicContact CB-CG 4.03Å; L484-L490 HydrophobicContact CD1-CG 4.21Å; L490-P493 HydrophobicContact CB-CG 4.27Å; L490-F496 HydrophobicContact CD1-CB 3.56Å; L490-F496 HydrophobicContact CD1-CD1 3.9Å; L490-F496 HydrophobicContact CD1-CD2 4Å; L490-F496 HydrophobicContact CD1-CG 3.54Å
491E88.9Confident94.3Very high173 Ų17364.7 Ų64.781%0.80835%0.345SS*.SBendtrans-68.7-41.1176.3-72.4173.2-156.700111.2R487R487-E491 IonicContact NH1-OE1 2.76Å; R487-E491 PolarHBondContact NH1-OE1 2.86Å
492D93.9Very high94.1Very high81 Ų8167.2 Ų67.243%0.43336%0.357SS..  trans-128.186.8171.5-170.8-13.9000110.8N494 L495 F496D492-N494 PolarHBondContact O-N 3.25Å; D492-N494 WeakPolarHBondContact OD1-CB 3.39Å; D492-N494 PolarHBondContact OD1-N 3.01Å; D492-L495 HydrophobicContact CB-CB 3.9Å; D492-L495 VanDerWaalsContact CG-CB 3.49Å; D492-L495 PolarHBondContact O-N 3.28Å; D492-L495 PolarHBondContact OD1-N 3.49Å; D492-F496 PolarHBondContact O-N 2.69Å
493P95.4Very high93.8Very high62 Ų6267.7 Ų67.740%0.40336%0.359SS..Hα-helixtrans-59.7-26.9175.8-24.334.5000113.6L490 I497L490-P493 HydrophobicContact CB-CG 4.27Å; P493-I497 WeakPolarHBondContact O-CD1 3.44Å; P493-I497 VanDerWaalsContact O-CG1 3.27Å; P493-I497 WeakPolarHBondContact O-CG1 3.43Å; P493-I497 PolarHBondContact O-N 3.5Å
494N95.8Very high93.6Very high117 Ų11772.9 Ų72.963%0.62639%0.386SS*.Hα-helixtrans-74.8-35.6-179.7-71.7-47.4000111.7D492 I497 R498D492-N494 PolarHBondContact O-N 3.25Å; D492-N494 WeakPolarHBondContact OD1-CB 3.39Å; D492-N494 PolarHBondContact OD1-N 3.01Å; N494-I497 PolarHBondContact O-N 3.38Å; N494-R498 WeakPolarHBondContact O-CB 3.38Å; N494-R498 PolarHBondContact O-N 3.2Å
495L95.1Very high93.3Very high69 Ų6976.1 Ų76.136%0.36141%0.408SS..Hα-helixtrans-61.1-46.9172.4-179.161.1000110.7D492 I497 R498 R499D492-L495 HydrophobicContact CB-CB 3.9Å; D492-L495 VanDerWaalsContact CG-CB 3.49Å; D492-L495 PolarHBondContact O-N 3.28Å; D492-L495 PolarHBondContact OD1-N 3.49Å; L495-I497 PolarHBondContact O-N 3.3Å; L495-R498 PolarHBondContact O-N 2.93Å; L495-R499 WeakPolarHBondContact O-CB 3.39Å; L495-R499 PolarHBondContact O-N 3.33Å
496F95.6Very high92.5Very high26 Ų2677.2 Ų77.211%0.11441%0.412CS..Hα-helixtrans-56.6-48.8175170.8-108.9000112.5L477 D480 Q481 L484 L490 D492 R498 R499 M500L477-F496 HydrophobicContact CD1-CD2 4.12Å; L477-F496 HydrophobicContact CD1-CE2 3.65Å; L477-F496 HydrophobicContact CD1-CZ 4.48Å; D480-F496 HydrophobicContact CB-CD2 3.38Å; D480-F496 HydrophobicContact CB-CE2 3.86Å; D480-F496 HydrophobicContact CB-CG 4.3Å; Q481-F496 HydrophobicContact CG-CE2 3.92Å; Q481-F496 HydrophobicContact CG-CZ 4.16Å; L484-F496 HydrophobicContact CD2-CE1 4.17Å; L484-F496 HydrophobicContact CD2-CZ 4.4Å; L490-F496 HydrophobicContact CD1-CB 3.56Å; L490-F496 HydrophobicContact CD1-CD1 3.9Å; L490-F496 HydrophobicContact CD1-CD2 4Å; L490-F496 HydrophobicContact CD1-CG 3.54Å; D492-F496 PolarHBondContact O-N 2.69Å; F496-R498 PolarHBondContact O-N 3.04Å; F496-R499 PolarHBondContact O-N 3.44Å; F496-M500 WeakPolarHBondContact O-CB 3.43Å; F496-M500 PolarHBondContact O-N 3.07Å
497I95.6Very high92.5Very high76 Ų7680.1 Ų80.139%0.3943%0.428SS..Hα-helixtrans-62.3-42.5178.5-68.5164.2000111.2P493 N494 L495 M500 N501P493-I497 WeakPolarHBondContact O-CD1 3.44Å; P493-I497 VanDerWaalsContact O-CG1 3.27Å; P493-I497 WeakPolarHBondContact O-CG1 3.43Å; P493-I497 PolarHBondContact O-N 3.5Å; N494-I497 PolarHBondContact O-N 3.38Å; L495-I497 PolarHBondContact O-N 3.3Å; I497-M500 PolarHBondContact O-N 2.98Å; I497-N501 WeakPolarHBondContact O-CB 3.3Å; I497-N501 PolarHBondContact O-N 2.78Å; I497-N501 PolarHBondContact O-ND2 3.32Å
498R95.3Very high92.5Very high165 Ų16582.1 Ų82.162%0.62344%0.442SS*.Hα-helixtrans-62.6-45.7178.5-173.4-175.3-58.6165.25.5111.4N494 L495 F496 N501 Q502N494-R498 WeakPolarHBondContact O-CB 3.38Å; N494-R498 PolarHBondContact O-N 3.2Å; L495-R498 PolarHBondContact O-N 2.93Å; F496-R498 PolarHBondContact O-N 3.04Å; R498-N501 PolarHBondContact O-N 2.58Å; R498-Q502 WeakPolarHBondContact O-CB 3.47Å; R498-Q502 PolarHBondContact O-N 3.18Å
499R95.1Very high92.6Very high18 Ų1883.6 Ų83.67%0.06844%0.435CS..Hα-helixtrans-59.3-48.3176.4174174.5-63.9139.3-5.4111.7E473 L477 D480 L495 F496 N501 Q502 L503E473-R499 WeakPolarHBondContact O-CD 3Å; E473-R499 WeakPolarHBondContact OE2-CD 3.48Å; E473-R499 VanDerWaalsContact OE2-CG 3.31Å; E473-R499 WeakPolarHBondContact OE2-CG 3.37Å; E473-R499 IonicContact OE2-CZ 3.24Å; E473-R499 IonicContact OE2-NE 3.96Å; E473-R499 PolarHBondContact OE2-NE 3.01Å; E473-R499 IonicContact OE2-NH2 3.42Å; L477-R499 HydrophobicContact CB-CG 4.23Å; L477-R499 HydrophobicContact CD1-CG 4.49Å; D480-R499 IonicContact OD2-CZ 2.65Å; D480-R499 IonicContact OD2-NH1 3.44Å; D480-R499 PolarHBondContact OD2-NH1 3.03Å; L495-R499 WeakPolarHBondContact O-CB 3.39Å; L495-R499 PolarHBondContact O-N 3.33Å; F496-R499 PolarHBondContact O-N 3.44Å; R499-N501 PolarHBondContact O-N 2.95Å; R499-Q502 PolarHBondContact O-N 3Å; R499-L503 HydrophobicContact CG-CD1 4.08Å; R499-L503 WeakPolarHBondContact O-CG 3.35Å; R499-L503 PolarHBondContact O-N 3.05Å
500M94.3Very high92.6Very high67 Ų6783.8 Ų83.833%0.3343%0.432SS..Hα-helixtrans-58.1-47.9175.8-175.1-177.867.100111.4L477 F496 I497 Q502 L503 L504L477-M500 HydrophobicContact CD1-CB 4.16Å; F496-M500 WeakPolarHBondContact O-CB 3.43Å; F496-M500 PolarHBondContact O-N 3.07Å; I497-M500 PolarHBondContact O-N 2.98Å; M500-Q502 VanDerWaalsContact C-N 3.33Å; M500-Q502 PolarHBondContact O-N 3.44Å; M500-L503 PolarHBondContact O-N 3.48Å; M500-L504 HydrophobicContact CG-CD1 4.07Å; M500-L504 VanDerWaalsContact O-CG 3.3Å; M500-L504 WeakPolarHBondContact O-CG 3.45Å; M500-L504 PolarHBondContact O-N 3.31Å
501N94.2Very high92.6Very high84 Ų8488.1 Ų88.145%0.44945%0.454SS..Hα-helixtrans-62.3-38.9178.4-70.4-21.2000112.5I497 R498 R499 L504 V505I497-N501 WeakPolarHBondContact O-CB 3.3Å; I497-N501 PolarHBondContact O-N 2.78Å; I497-N501 PolarHBondContact O-ND2 3.32Å; R498-N501 PolarHBondContact O-N 2.58Å; R499-N501 PolarHBondContact O-N 2.95Å; N501-L504 PolarHBondContact O-N 3.24Å; N501-V505 WeakPolarHBondContact O-CG2 3.34Å; N501-V505 PolarHBondContact O-N 2.91Å
502Q92.9Very high92.8Very high112 Ų11282.5 Ų82.552%0.52343%0.431SS..Hα-helixtrans-65.1-42.7177.6-179175.5-1900111.8R498 R499 M500 V505 S506R498-Q502 WeakPolarHBondContact O-CB 3.47Å; R498-Q502 PolarHBondContact O-N 3.18Å; R499-Q502 PolarHBondContact O-N 3Å; M500-Q502 VanDerWaalsContact C-N 3.33Å; M500-Q502 PolarHBondContact O-N 3.44Å; Q502-V505 PolarHBondContact O-N 3.16Å; Q502-S506 PolarHBondContact O-N 3.28Å
503L91.8Very high92.8Very high13 Ų1382.6 Ų82.67%0.06843%0.43CS..Hα-helixtrans-71.6-29.5178.5-71.5170000113.1E473 W474 L477 R499 M500 V505 S506E473-L503 HydrophobicContact CB-CD1 4.25Å; E473-L503 HydrophobicContact CB-CD2 4.04Å; E473-L503 HydrophobicContact CB-CG 4.32Å; W474-L503 HydrophobicContact CD2-CD1 4.26Å; W474-L503 HydrophobicContact CD2-CD2 4.1Å; W474-L503 HydrophobicContact CE3-CD1 4.09Å; W474-L503 HydrophobicContact CG-CD2 4.39Å; W474-L503 HydrophobicContact CH2-CB 4.42Å; W474-L503 HydrophobicContact CZ2-CD2 4.05Å; W474-L503 HydrophobicContact CZ3-CD1 4.29Å; L477-L503 HydrophobicContact CB-CD1 3.9Å; L477-L503 HydrophobicContact CD2-CD1 3.6Å; L477-L503 HydrophobicContact CG-CD1 4.25Å; R499-L503 HydrophobicContact CG-CD1 4.08Å; R499-L503 WeakPolarHBondContact O-CG 3.35Å; R499-L503 PolarHBondContact O-N 3.05Å; M500-L503 PolarHBondContact O-N 3.48Å; L503-V505 VanDerWaalsContact C-N 3.32Å; L503-S506 PolarHBondContact O-OG 2.92Å
504L90.2Very high92.6Very high131 Ų13184.2 Ų84.269%0.68643%0.433SS*.Hα-helixtrans-71.3-26.3175.6-75.1171.9000113.3M500 N501M500-L504 HydrophobicContact CG-CD1 4.07Å; M500-L504 VanDerWaalsContact O-CG 3.3Å; M500-L504 WeakPolarHBondContact O-CG 3.45Å; M500-L504 PolarHBondContact O-N 3.31Å; N501-L504 PolarHBondContact O-N 3.24Å
505V89.8Confident92.3Very high134 Ų13481.4 Ų81.481%0.81242%0.416SS*.Hα-helixtrans-87.5-21.5178.5176.40000112.1N501 Q502 L503N501-V505 WeakPolarHBondContact O-CG2 3.34Å; N501-V505 PolarHBondContact O-N 2.91Å; Q502-V505 PolarHBondContact O-N 3.16Å; L503-V505 VanDerWaalsContact C-N 3.32Å
506S77.9Confident92Very high82 Ų8282.5 Ų82.557%0.57342%0.421SS*.  trans-83.80-176.973.60000113.8Q502 L503Q502-S506 PolarHBondContact O-N 3.28Å; L503-S506 PolarHBondContact O-OG 2.92Å

Retrieved 506 of 506 residues in 654.5 ms (Link to these results)

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