A0A087XZ50_POEFO Loading...

Phospholysine phosphohistidine inorganic pyrophosphate phosphatase

Phosphatase that hydrolyzes imidodiphosphate, 3-phosphohistidine and 6-phospholysine. Has broad substrate specificity and can also hydrolyze inorganic diphosphate, but with lower efficiency.

AlphaFold DB , UniProt , Accession A0A087XZ50, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 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
1M34Very low53.4Low241 Ų24182.3 Ų82.3100%1.18750%0.499SS*.  0105.90-75.7-178-80.600105.8D3M1-D3 PolarHBondContact O-N 2.69Å
2A34.8Very low56Low95 Ų9581.3 Ų81.379%0.78550%0.499SS*.  trans-61.3122.6179.300000107.9T4A2-T4 PolarHBondContact O-N 2.92Å; A2-T4 VanDerWaalsContact O-N 3.11Å
3D37.9Very low58.7Low151 Ų15175.3 Ų75.381%0.80746%0.462SS*.  trans-60.8114.7179.4-161.12.5000107.8M1 G5M1-D3 PolarHBondContact O-N 2.69Å; D3-G5 PolarHBondContact O-N 2.88Å
4T42Very low61.4Low117 Ų11777.5 Ų77.572%0.71846%0.462SS*.  trans-78.437.8-174.4450000110.8A2 W6 P7A2-T4 PolarHBondContact O-N 2.92Å; A2-T4 VanDerWaalsContact O-N 3.11Å; T4-W6 PolarHBondContact O-N 3.13Å; T4-P7 WeakPolarHBondContact O-CD 3.16Å
5G49Very low63.7Low40 Ų4072.3 Ų72.341%0.41243%0.431SS..  trans-81.9-6.4-167.100000116.1D3 G8D3-G5 PolarHBondContact O-N 2.88Å; G5-G8 PolarHBondContact O-N 2.87Å; G5-G8 VanDerWaalsContact O-N 3.17Å
6W61.2Low65.9Low31 Ų3167.8 Ų67.812%0.11740%0.404CS..Hα-helixtrans-66.5-28.417885.3-90.1000115.8T4 G8 C9 V233 A254 V256 V265 I266T4-W6 PolarHBondContact O-N 3.13Å; W6-G8 PolarHBondContact O-N 2.95Å; W6-C9 PolarHBondContact O-N 3.12Å; W6-C9 PolarHBondContact O-SG 2.7Å; W6-V233 HydrophobicContact CE3-CG2 4.27Å; W6-V233 HydrophobicContact CZ3-CG2 4.4Å; W6-A254 HydrophobicContact CB-CB 4.32Å; W6-A254 HydrophobicContact CD2-CB 3.91Å; W6-A254 HydrophobicContact CG-CB 3.6Å; W6-A254 HydrophobicContact CZ2-CB 4.42Å; W6-A254 VanDerWaalsContact NE1-CB 3.28Å; W6-V256 HydrophobicContact CH2-CG1 4.5Å; W6-V256 HydrophobicContact CZ2-CG1 3.89Å; W6-V265 HydrophobicContact CH2-CB 3.45Å; W6-V265 VanDerWaalsContact CH2-CB 3.45Å; W6-V265 HydrophobicContact CH2-CG1 3.31Å; W6-V265 HydrophobicContact CH2-CG2 4.25Å; W6-V265 HydrophobicContact CZ2-CB 3.66Å; W6-V265 HydrophobicContact CZ2-CG1 3.31Å; W6-V265 HydrophobicContact CZ2-CG2 4.02Å; W6-V265 HydrophobicContact CZ3-CB 4.35Å; W6-V265 HydrophobicContact CZ3-CG1 3.92Å; W6-I266 HydrophobicContact CH2-CG1 4.36Å; W6-I266 HydrophobicContact CZ3-CG1 3.88Å
7P59.1Low67.8Low28 Ų2863.8 Ų63.818%0.18238%0.38CS..Hα-helixtrans-60.8-27.7171-21.135.7000111.9T4 C9 A10 V265 Q269T4-P7 WeakPolarHBondContact O-CD 3.16Å; P7-C9 PolarHBondContact O-N 2.81Å; P7-A10 VanDerWaalsContact O-CB 3.29Å; P7-A10 WeakPolarHBondContact O-CB 3.48Å; P7-A10 PolarHBondContact O-N 3.19Å; P7-V265 HydrophobicContact CG-CG1 4.45Å; P7-Q269 HydrophobicContact CB-CG 3.83Å
8G60.7Low69.5Low62 Ų6260.3 Ų60.364%0.63936%0.359SS*.Hα-helixtrans-67.7-31.1-179.600000113.8G5 W6G5-G8 PolarHBondContact O-N 2.87Å; G5-G8 VanDerWaalsContact O-N 3.17Å; W6-G8 PolarHBondContact O-N 2.95Å
9C67.3Low71Confident13 Ų1357.5 Ų57.59%0.08834%0.342CS..Hα-helixtrans-84.8-13.5174.165.90000113.2W6 P7 K11 S12 L13 K231W6-C9 PolarHBondContact O-N 3.12Å; W6-C9 PolarHBondContact O-SG 2.7Å; P7-C9 PolarHBondContact O-N 2.81Å; C9-K11 PolarHBondContact O-N 3.25Å; C9-S12 PolarHBondContact O-N 2.95Å; C9-S12 PolarHBondContact O-OG 2.77Å; C9-L13 WeakPolarHBondContact O-CG 3.46Å; C9-L13 PolarHBondContact O-N 2.71Å; C9-L13 VanDerWaalsContact O-N 3.14Å; C9-K231 HydrophobicContact CB-CD 4Å; C9-K231 WeakPolarHBondContact SG-CD 3.49Å; C9-K231 VanDerWaalsContact SG-CE 3.57Å; C9-K231 PolarHBondContact SG-NZ 3.36Å
10A70.2Confident72.2Confident0 Ų054.7 Ų54.70%033%0.325CS..THydrogen-bonded Turntrans-56.9-27.1-178.600000112.7P7 Q269 R270P7-A10 VanDerWaalsContact O-CB 3.29Å; P7-A10 WeakPolarHBondContact O-CB 3.48Å; P7-A10 PolarHBondContact O-N 3.19Å; A10-Q269 HydrophobicContact CB-CB 3.89Å; A10-Q269 HydrophobicContact CB-CG 4.45Å; A10-R270 PolarHBondContact O-NH1 3.3Å
11K71.3Confident73.2Confident127 Ų12754 Ų5455%0.55232%0.323SS*.THydrogen-bonded Turntrans-75.2-27.9174.2-67.3-172177.1-173.30114.3C9 Q269C9-K11 PolarHBondContact O-N 3.25Å; K11-Q269 WeakPolarHBondContact CE-O 3.29Å
12S84.1Confident76Confident71 Ų7142.6 Ų42.650%0.49727%0.267SS..THydrogen-bonded Turntrans-92.5-9.7-179.661.10000113.3C9C9-S12 PolarHBondContact O-N 2.95Å; C9-S12 PolarHBondContact O-OG 2.77Å
13L91.4Very high79Confident3 Ų338.1 Ų38.12%0.01623%0.23CC..  trans-63.3137.8174.8-66.7177.7000110.4C9 L50 E210 L212 R270C9-L13 WeakPolarHBondContact O-CG 3.46Å; C9-L13 PolarHBondContact O-N 2.71Å; C9-L13 VanDerWaalsContact O-N 3.14Å; L13-L50 HydrophobicContact CB-CD2 4.02Å; L13-L50 WeakPolarHBondContact O-CD2 3.42Å; L13-E210 WeakPolarHBondContact CA-O 3.41Å; L13-L212 HydrophobicContact CD1-CB 3.76Å; L13-L212 HydrophobicContact CD1-CD2 3.92Å; L13-L212 HydrophobicContact CD1-CG 4.37Å; L13-L212 HydrophobicContact CD2-CB 3.9Å; L13-L212 HydrophobicContact CG-CB 4.48Å; L13-R270 PolarHBondContact O-NH1 3.19Å; L13-R270 PolarHBondContact O-NH2 3.36Å
14K95.9Very high81.8Confident106 Ų10630.9 Ų30.946%0.46119%0.191SC..  trans-115.7-13.3171.5-63.3-178.2179.4170.80112L50 E51 L206 E210K14-L50 WeakPolarHBondContact O-CA 3.38Å; K14-E51 PolarHBondContact O-N 3.46Å; K14-L206 HydrophobicContact CB-CD1 4.1Å; K14-L206 HydrophobicContact CB-CD2 3.63Å; K14-L206 HydrophobicContact CD-CD2 4Å; K14-L206 HydrophobicContact CG-CD2 4.5Å; K14-E210 HydrophobicContact CB-CB 4.29Å; K14-E210 HydrophobicContact CD-CB 4.31Å; K14-E210 HydrophobicContact CD-CG 4.35Å; K14-E210 VanDerWaalsContact CE-OE1 3.29Å; K14-E210 WeakPolarHBondContact CE-OE1 3.35Å; K14-E210 HydrophobicContact CG-CB 4.37Å; K14-E210 PolarHBondContact N-O 2.77Å; K14-E210 IonicContact NZ-OE1 2.69Å; K14-E210 PolarHBondContact NZ-OE1 3.02Å
15G97Very high84.4Confident0 Ų025.6 Ų25.60%016%0.158CC..EExtended strand (participates in β ladder)trans-155.5162175.400000114.5E51 E210 A211 L212G15-E51 CarbonylContact C-O 3.59Å; G15-E51 WeakPolarHBondContact CA-O 3.47Å; G15-E210 PolarHBondContact N-O 3.27Å; G15-A211 WeakPolarHBondContact O-CA 3.42Å; G15-L212 PolarHBondContact O-N 3.34Å; G15-L212 VanDerWaalsContact O-N 3.12Å
16V97.8Very high86.3Confident0 Ų027.1 Ų27.10%016%0.157CC..EExtended strand (participates in β ladder)trans-128.6133.6177.5-179.20000108.3L18 L45 L50 E51 L52 R53 L212 I214V16-L18 HydrophobicContact CG1-CD2 3.47Å; V16-L18 VanDerWaalsContact CG1-CD2 3.47Å; V16-L18 HydrophobicContact CG1-CG 4.08Å; V16-L45 HydrophobicContact CG1-CD1 4.41Å; V16-L45 HydrophobicContact CG2-CD2 4.23Å; V16-L50 HydrophobicContact CG2-CD1 3.98Å; V16-E51 PolarHBondContact N-O 3.21Å; V16-L52 HydrophobicContact CB-CD1 4.16Å; V16-L52 HydrophobicContact CG1-CD1 4.37Å; V16-L52 WeakPolarHBondContact O-CA 3.29Å; V16-R53 PolarHBondContact O-N 2.91Å; V16-R53 VanDerWaalsContact O-N 3.08Å; V16-L212 WeakPolarHBondContact CA-O 3.28Å; V16-I214 HydrophobicContact CG1-CD1 3.89Å; V16-I214 HydrophobicContact CG1-CG1 4.34Å
17I98.4Very high87.4Confident0 Ų028.4 Ų28.40%017%0.17CC..EExtended strand (participates in β ladder)trans-111.3123.2172.5-57.3-176.6000106.9R53 C55 V200 L201 M204 L212 M213 I214 M230I17-R53 WeakPolarHBondContact CA-O 3.44Å; I17-C55 HydrophobicContact CG2-CB 4.14Å; I17-C55 WeakPolarHBondContact CG2-SG 3.26Å; I17-V200 HydrophobicContact CD1-CB 4.06Å; I17-V200 HydrophobicContact CD1-CG1 3.53Å; I17-V200 HydrophobicContact CG1-CG1 4.11Å; I17-V200 HydrophobicContact CG2-CG1 4.4Å; I17-L201 HydrophobicContact CD1-CD2 4.29Å; I17-M204 HydrophobicContact CD1-SD 3.94Å; I17-M204 HydrophobicContact CG1-CE 4.36Å; I17-M204 HydrophobicContact CG1-SD 3.78Å; I17-L212 PolarHBondContact N-O 3.32Å; I17-M213 HydrophobicContact CB-SD 3.94Å; I17-M213 HydrophobicContact CG2-SD 3.61Å; I17-M213 CarbonylContact O-C 3.42Å; I17-M213 WeakPolarHBondContact O-CA 3.39Å; I17-M213 VanDerWaalsContact O-SD 3.41Å; I17-I214 PolarHBondContact O-N 3.14Å; I17-M230 HydrophobicContact CB-CE 4.44Å; I17-M230 HydrophobicContact CD1-CE 3.65Å; I17-M230 HydrophobicContact CD1-SD 4.43Å; I17-M230 HydrophobicContact CG1-CE 4.22Å
18L98.6Very high88.3Confident0 Ų028.6 Ų28.60%018%0.177CC..EExtended strand (participates in β ladder)trans-108.3132.8-179.3-58.7-176.3000110.2V16 L24 V42 L45 L52 R53 F54 C55 I214 L259V16-L18 HydrophobicContact CG1-CD2 3.47Å; V16-L18 VanDerWaalsContact CG1-CD2 3.47Å; V16-L18 HydrophobicContact CG1-CG 4.08Å; L18-L24 HydrophobicContact CB-CD1 4.13Å; L18-L24 HydrophobicContact CD1-CD1 4Å; L18-V42 HydrophobicContact CD1-CG2 4.27Å; L18-L45 HydrophobicContact CD1-CD1 3.99Å; L18-L52 HydrophobicContact CD1-CD1 3.79Å; L18-L52 HydrophobicContact CG-CD1 3.84Å; L18-R53 PolarHBondContact N-O 3.22Å; L18-F54 HydrophobicContact CB-CD1 4.04Å; L18-F54 HydrophobicContact CD1-CD1 4.3Å; L18-F54 HydrophobicContact CD1-CE1 3.93Å; L18-F54 CarbonylContact O-C 3.53Å; L18-F54 VanDerWaalsContact O-CA 3.31Å; L18-F54 WeakPolarHBondContact O-CA 3.4Å; L18-C55 PolarHBondContact O-N 2.88Å; L18-I214 HydrophobicContact CD2-CB 3.71Å; L18-I214 HydrophobicContact CD2-CD1 3.72Å; L18-I214 HydrophobicContact CD2-CG1 4.06Å; L18-I214 HydrophobicContact CD2-CG2 4.41Å; L18-L259 HydrophobicContact CD1-CD1 4.09Å; L18-L259 HydrophobicContact CD1-CD2 4.1Å; L18-L259 HydrophobicContact CD2-CD1 3.66Å
19D97.4Very high88.8Confident8 Ų834 Ų344%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-66164153.5179.860.3000110.4C21 V23 L24 C55 K191 M213 I214D19-C21 PolarHBondContact OD2-N 3.03Å; D19-V23 HydrophobicContact CB-CG2 3.8Å; D19-V23 WeakPolarHBondContact O-CB 3.26Å; D19-L24 VanDerWaalsContact O-CD1 3.27Å; D19-L24 WeakPolarHBondContact O-CD1 3.34Å; D19-C55 WeakPolarHBondContact CA-O 3.29Å; D19-K191 VanDerWaalsContact CG-NZ 3.35Å; D19-K191 IonicContact OD1-NZ 2.85Å; D19-K191 PolarHBondContact OD1-NZ 3.17Å; D19-M213 HydrophobicContact CB-CE 3.8Å; D19-I214 PolarHBondContact N-O 3.04Å
20L96Very high89.5Confident0 Ų036.9 Ų36.90%022%0.218CC..  trans-108.3-58.6-174.3-69.9166.6000113.3V23 L24 Y25 F54 T56 F66 L70 V82L20-V23 PolarHBondContact O-N 3.18Å; L20-L24 HydrophobicContact CD2-CD1 4.27Å; L20-L24 HydrophobicContact CD2-CD2 3.66Å; L20-L24 HydrophobicContact CD2-CG 4.39Å; L20-L24 WeakPolarHBondContact O-CB 2.84Å; L20-L24 PolarHBondContact O-N 3.44Å; L20-Y25 HydrophobicContact CB-CE1 4.28Å; L20-Y25 PolarHBondContact O-N 3.34Å; L20-F54 HydrophobicContact CD1-CB 4.02Å; L20-F54 HydrophobicContact CD2-CB 3.79Å; L20-F54 HydrophobicContact CD2-CD1 3.7Å; L20-F54 HydrophobicContact CD2-CG 4.02Å; L20-F54 HydrophobicContact CG-CB 4.02Å; L20-T56 HydrophobicContact CD1-CG2 3.98Å; L20-F66 HydrophobicContact CB-CZ 4.49Å; L20-F66 HydrophobicContact CD1-CE1 3.45Å; L20-F66 VanDerWaalsContact CD1-CE1 3.45Å; L20-F66 HydrophobicContact CD1-CZ 3.92Å; L20-L70 HydrophobicContact CD1-CD1 4.18Å; L20-L70 HydrophobicContact CD2-CD1 3.93Å; L20-V82 HydrophobicContact CD1-CG1 3.92Å
21C93.1Very high90.1Very high42 Ų4239.3 Ų39.328%0.28423%0.231SC..BIsolated β-bridgetrans-87.4118.9-173.7-175.10000110.2D19 V23 Y25D19-C21 PolarHBondContact OD2-N 3.03Å; C21-V23 VanDerWaalsContact C-N 3.35Å; C21-Y25 CarbonylContact C-O 3.52Å; C21-Y25 WeakPolarHBondContact CA-O 3.21Å; C21-Y25 HydrophobicContact CB-CE1 4.16Å
22G92.4Very high91Very high1 Ų133.9 Ų33.91%0.0121%0.211CC..THydrogen-bonded Turntrans91.8-5.2-170.300000113.4Y25 I35 T237G22-Y25 PolarHBondContact N-O 3.17Å; G22-I35 WeakPolarHBondContact O-CD1 3.49Å; G22-T237 CarbonylContact O-C 3.43Å; G22-T237 WeakPolarHBondContact O-CB 3.27Å; G22-T237 PolarHBondContact O-OG1 2.94Å
23V97.4Very high91.4Very high0 Ų035.5 Ų35.50%022%0.218CC..THydrogen-bonded Turntrans-119.5-53.5175.3-176.20000112.3D19 L20 C21 I214 D216 V235 L259D19-V23 HydrophobicContact CB-CG2 3.8Å; D19-V23 WeakPolarHBondContact O-CB 3.26Å; L20-V23 PolarHBondContact O-N 3.18Å; C21-V23 VanDerWaalsContact C-N 3.35Å; V23-I214 HydrophobicContact CG1-CG2 4.2Å; V23-D216 HydrophobicContact CG2-CB 4.18Å; V23-V235 HydrophobicContact CG2-CG2 3.85Å; V23-L259 HydrophobicContact CG1-CB 4.14Å; V23-L259 HydrophobicContact CG1-CD1 4.2Å; V23-L259 HydrophobicContact CG1-CD2 4.38Å; V23-L259 HydrophobicContact CG1-CG 4.47Å
24L97.6Very high91.7Very high0 Ų036.4 Ų36.40%023%0.226CC..THydrogen-bonded Turntrans-89.2-45.6174.6-89.172.6000111.2L18 D19 L20 I35 S38 V42 F54 F75 I77 L259L18-L24 HydrophobicContact CB-CD1 4.13Å; L18-L24 HydrophobicContact CD1-CD1 4Å; D19-L24 VanDerWaalsContact O-CD1 3.27Å; D19-L24 WeakPolarHBondContact O-CD1 3.34Å; L20-L24 HydrophobicContact CD2-CD1 4.27Å; L20-L24 HydrophobicContact CD2-CD2 3.66Å; L20-L24 HydrophobicContact CD2-CG 4.39Å; L20-L24 WeakPolarHBondContact O-CB 2.84Å; L20-L24 PolarHBondContact O-N 3.44Å; L24-I35 WeakPolarHBondContact O-CB 3.47Å; L24-I35 PolarHBondContact O-N 3.21Å; L24-S38 VanDerWaalsContact O-CB 3.3Å; L24-S38 WeakPolarHBondContact O-CB 3.04Å; L24-S38 PolarHBondContact O-OG 3.47Å; L24-V42 HydrophobicContact CD1-CG2 4.35Å; L24-V42 HydrophobicContact CD2-CG2 3.79Å; L24-V42 HydrophobicContact CG-CG2 3.96Å; L24-F54 HydrophobicContact CD2-CD1 4.11Å; L24-F54 HydrophobicContact CD2-CE1 3.92Å; L24-F75 HydrophobicContact CB-CE1 3.98Å; L24-F75 HydrophobicContact CB-CE2 4.29Å; L24-F75 HydrophobicContact CB-CZ 3.72Å; L24-F75 HydrophobicContact CD2-CD1 3.75Å; L24-F75 HydrophobicContact CD2-CE1 3.7Å; L24-F75 HydrophobicContact CD2-CG 4.2Å; L24-F75 HydrophobicContact CD2-CZ 4.13Å; L24-F75 HydrophobicContact CG-CD1 4.36Å; L24-F75 HydrophobicContact CG-CE1 3.8Å; L24-F75 HydrophobicContact CG-CZ 4.09Å; L24-F75 WeakPolarHBondContact O-CZ 3.36Å; L24-I77 HydrophobicContact CD2-CD1 3.8Å; L24-L259 HydrophobicContact CD1-CD2 3.79Å; L24-L259 HydrophobicContact CG-CD2 4.18Å
25Y95.6Very high91.7Very high6 Ų631.6 Ų31.62%0.02421%0.205CC..EExtended strand (participates in β ladder)trans-144.3155-175.680.5-79.9000110.6L20 C21 G22 V33 F66 K69 L70 L73L20-Y25 HydrophobicContact CB-CE1 4.28Å; L20-Y25 PolarHBondContact O-N 3.34Å; C21-Y25 CarbonylContact C-O 3.52Å; C21-Y25 WeakPolarHBondContact CA-O 3.21Å; C21-Y25 HydrophobicContact CB-CE1 4.16Å; G22-Y25 PolarHBondContact N-O 3.17Å; Y25-V33 CarbonylContact C-O 3.52Å; Y25-V33 VanDerWaalsContact CA-O 3.27Å; Y25-V33 WeakPolarHBondContact CA-O 3.4Å; Y25-V33 WeakPolarHBondContact CB-O 3.49Å; Y25-F66 HydrophobicContact CE1-CZ 4.41Å; Y25-K69 PolarHBondContact OH-NZ 3.27Å; Y25-L70 HydrophobicContact CD1-CD2 3.78Å; Y25-L70 HydrophobicContact CE1-CD2 3.79Å; Y25-L73 HydrophobicContact CD2-CD1 4.02Å; Y25-L73 HydrophobicContact CG-CD1 3.9Å
26D90.8Very high91.8Very high72 Ų7236.8 Ų36.839%0.38524%0.239SC..EExtended strand (participates in β ladder)trans-97.4132.6169.2-71.7-47.5000109.7G32 V33D26-G32 VanDerWaalsContact O-CA 3.27Å; D26-G32 WeakPolarHBondContact O-CA 3.45Å; D26-V33 PolarHBondContact N-O 2.88Å; D26-V33 PolarHBondContact O-N 3.47Å
27S84.3Confident91.8Very high57 Ų5738.8 Ų38.840%0.39926%0.26SS..  trans-63.1141171.4540000110.9
28G77.2Confident91.8Very high32 Ų3238.8 Ų38.833%0.3326%0.26SS..  trans-168-163.8-178.900000110.9G30G28-G30 PolarHBondContact O-N 3.2Å
29E70.4Confident91.8Very high175 Ų17542.1 Ų42.182%0.81828%0.277SS*.SBendtrans-56.5136.2173.2-69-170.2173.300111.2D31 G32 T164E29-D31 PolarHBondContact O-N 3.17Å; E29-G32 PolarHBondContact O-N 3.21Å; E29-T164 HydrophobicContact CG-CG2 4.31Å
30G82.3Confident91.8Very high74 Ų7446.2 Ų46.276%0.76330%0.295SS*.THydrogen-bonded Turntrans67.6-127-176.400000112.8G28 G32G28-G30 PolarHBondContact O-N 3.2Å; G30-G32 VanDerWaalsContact C-N 3.32Å
31D83.2Confident91.9Very high51 Ų5146.2 Ų46.227%0.27330%0.296SS..THydrogen-bonded Turntrans-83.8-6-178.1-74.2-31.5000113.1E29 K69 R72 L73E29-D31 PolarHBondContact O-N 3.17Å; D31-K69 HydrophobicContact CB-CG 3.96Å; D31-K69 WeakPolarHBondContact O-CE 3.3Å; D31-K69 WeakPolarHBondContact OD1-CG 3.43Å; D31-R72 VanDerWaalsContact CG-NH2 3.33Å; D31-R72 IonicContact OD1-CZ 2.8Å; D31-R72 IonicContact OD1-NH2 2.91Å; D31-R72 PolarHBondContact OD1-NH2 2.91Å; D31-R72 IonicContact OD2-CZ 3.3Å; D31-R72 VanDerWaalsContact OD2-CZ 3.3Å; D31-R72 IonicContact OD2-NE 2.66Å; D31-R72 PolarHBondContact OD2-NE 3.05Å; D31-R72 IonicContact OD2-NH2 2.82Å; D31-R72 PolarHBondContact OD2-NH2 3.43Å; D31-L73 HydrophobicContact CB-CD2 4.06Å; D31-L73 HydrophobicContact CB-CG 4.35Å
32G89.7Confident92.2Very high13 Ų1344.4 Ų44.413%0.13428%0.283CS..  trans84.2-164.8-172.100000113.1D26 E29 G30 L73D26-G32 VanDerWaalsContact O-CA 3.27Å; D26-G32 WeakPolarHBondContact O-CA 3.45Å; E29-G32 PolarHBondContact O-N 3.21Å; G30-G32 VanDerWaalsContact C-N 3.32Å; G32-L73 WeakPolarHBondContact O-CD2 3.5Å
33V93.6Very high92.5Very high105 Ų10549 Ų4964%0.63630%0.303SS*.EExtended strand (participates in β ladder)trans-134131.6-175.3-1770000110.4Y25 D26 I35Y25-V33 CarbonylContact C-O 3.52Å; Y25-V33 VanDerWaalsContact CA-O 3.27Å; Y25-V33 WeakPolarHBondContact CA-O 3.4Å; Y25-V33 WeakPolarHBondContact CB-O 3.49Å; D26-V33 PolarHBondContact N-O 2.88Å; D26-V33 PolarHBondContact O-N 3.47Å; V33-I35 PolarHBondContact O-N 3.26Å
34A96.9Very high92.5Very high23 Ų2352.4 Ų52.419%0.1932%0.316CS..EExtended strand (participates in β ladder)trans-61.1133.4174.200000110.9I39 F75A34-I39 HydrophobicContact CB-CD1 3.92Å; A34-I39 HydrophobicContact CB-CG1 4.09Å; A34-F75 HydrophobicContact CB-CE2 4.08Å; A34-F75 HydrophobicContact CB-CZ 3.94Å
35I96.9Very high92.4Very high5 Ų552.4 Ų52.43%0.02632%0.316CS..PPolyproline II helixtrans-65.4135.7175.7-73.3166.2000108.1G22 L24 V33 G37 S38 T237 N258G22-I35 WeakPolarHBondContact O-CD1 3.49Å; L24-I35 WeakPolarHBondContact O-CB 3.47Å; L24-I35 PolarHBondContact O-N 3.21Å; V33-I35 PolarHBondContact O-N 3.26Å; I35-G37 PolarHBondContact O-N 3.11Å; I35-S38 WeakPolarHBondContact O-CB 3.23Å; I35-S38 PolarHBondContact O-N 3.42Å; I35-S38 PolarHBondContact O-OG 3.28Å; I35-T237 HydrophobicContact CD1-CG2 4.38Å; I35-T237 HydrophobicContact CG2-CG2 4.06Å; I35-N258 HydrophobicContact CG2-CB 4.4Å
36P97.5Very high92.5Very high109 Ų10954.9 Ų54.971%0.70833%0.327SS*.THydrogen-bonded Turntrans-50.7126.7-177.3-30.536.2000113.3S38P36-S38 VanDerWaalsContact C-N 3.28Å; P36-S38 PolarHBondContact O-N 2.88Å
37G97.9Very high92.8Very high42 Ų4257.8 Ų57.843%0.43334%0.338SS..THydrogen-bonded Turntrans80.9-7.518000000115.7I35 I39 A41I35-G37 PolarHBondContact O-N 3.11Å; G37-I39 PolarHBondContact O-N 3.22Å; G37-A41 VanDerWaalsContact O-CB 3.29Å; G37-A41 WeakPolarHBondContact O-CB 3.09Å; G37-A41 PolarHBondContact O-N 3.42Å
38S98.4Very high93.2Very high0 Ų056.7 Ų56.70%033%0.33CS..Hα-helixtrans-63.3-41.8-178.359.60000113.7L24 I35 P36 E40 A41 V42 F75L24-S38 VanDerWaalsContact O-CB 3.3Å; L24-S38 WeakPolarHBondContact O-CB 3.04Å; L24-S38 PolarHBondContact O-OG 3.47Å; I35-S38 WeakPolarHBondContact O-CB 3.23Å; I35-S38 PolarHBondContact O-N 3.42Å; I35-S38 PolarHBondContact O-OG 3.28Å; P36-S38 VanDerWaalsContact C-N 3.28Å; P36-S38 PolarHBondContact O-N 2.88Å; S38-E40 PolarHBondContact O-N 3.41Å; S38-A41 WeakPolarHBondContact O-CB 3.3Å; S38-A41 PolarHBondContact O-N 3.41Å; S38-V42 WeakPolarHBondContact O-CG2 3.33Å; S38-V42 PolarHBondContact O-N 2.89Å; S38-F75 WeakPolarHBondContact OG-CZ 2.98Å
39I98.5Very high94Very high69 Ų6960.8 Ų60.835%0.35435%0.345SS..Hα-helixtrans-59.9-50-179.5-63170000110.2A34 G37 A41 V42 K43 L73 G74 F75A34-I39 HydrophobicContact CB-CD1 3.92Å; A34-I39 HydrophobicContact CB-CG1 4.09Å; G37-I39 PolarHBondContact O-N 3.22Å; I39-A41 VanDerWaalsContact C-N 3.32Å; I39-A41 PolarHBondContact O-N 2.97Å; I39-V42 PolarHBondContact O-N 2.96Å; I39-K43 PolarHBondContact O-N 3.43Å; I39-L73 VanDerWaalsContact CD1-O 3.3Å; I39-L73 WeakPolarHBondContact CD1-O 3.43Å; I39-G74 WeakPolarHBondContact CG2-O 3.41Å; I39-F75 HydrophobicContact CB-CD1 4.47Å; I39-F75 HydrophobicContact CB-CE1 4.25Å; I39-F75 HydrophobicContact CG1-CD1 4Å; I39-F75 HydrophobicContact CG1-CE1 3.63Å; I39-F75 HydrophobicContact CG1-CE2 4.35Å; I39-F75 HydrophobicContact CG1-CZ 3.8Å
40E98.4Very high95.2Very high94 Ų9453 Ų5344%0.43931%0.309SS..Hα-helixtrans-66.1-36.2177.8-176.857.1-153.300111.7S38 K43 R44S38-E40 PolarHBondContact O-N 3.41Å; E40-K43 PolarHBondContact O-N 3.49Å; E40-R44 HydrophobicContact CG-CG 4.45Å; E40-R44 WeakPolarHBondContact O-CB 3.35Å; E40-R44 VanDerWaalsContact O-CG 3.3Å; E40-R44 WeakPolarHBondContact O-CG 3.4Å; E40-R44 PolarHBondContact O-N 3.29Å; E40-R44 WeakPolarHBondContact OE1-CG 3.48Å
41A98.4Very high95.9Very high1 Ų153.8 Ų53.81%0.00829%0.292CS..Hα-helixtrans-62.8-44.1176.100000112.3G37 S38 I39 R44 L45 L259 V263G37-A41 VanDerWaalsContact O-CB 3.29Å; G37-A41 WeakPolarHBondContact O-CB 3.09Å; G37-A41 PolarHBondContact O-N 3.42Å; S38-A41 WeakPolarHBondContact O-CB 3.3Å; S38-A41 PolarHBondContact O-N 3.41Å; I39-A41 VanDerWaalsContact C-N 3.32Å; I39-A41 PolarHBondContact O-N 2.97Å; A41-R44 PolarHBondContact O-N 3.11Å; A41-L45 WeakPolarHBondContact O-CG 3.49Å; A41-L45 PolarHBondContact O-N 3.22Å; A41-L259 HydrophobicContact CB-CD2 4.12Å; A41-L259 HydrophobicContact CB-CG 3.88Å; A41-V263 HydrophobicContact CB-CB 4.14Å; A41-V263 HydrophobicContact CB-CG2 3.84Å
42V98.4Very high96.7Very high3 Ų351.7 Ų51.72%0.01828%0.281CS..Hα-helixtrans-61.7-46.3174.5169.70000110.7L18 L24 S38 I39 R44 L45 K46 L52 F54 F75 L259L18-V42 HydrophobicContact CD1-CG2 4.27Å; L24-V42 HydrophobicContact CD1-CG2 4.35Å; L24-V42 HydrophobicContact CD2-CG2 3.79Å; L24-V42 HydrophobicContact CG-CG2 3.96Å; S38-V42 WeakPolarHBondContact O-CG2 3.33Å; S38-V42 PolarHBondContact O-N 2.89Å; I39-V42 PolarHBondContact O-N 2.96Å; V42-R44 PolarHBondContact O-N 2.8Å; V42-L45 PolarHBondContact O-N 3.12Å; V42-K46 PolarHBondContact O-N 2.91Å; V42-L52 HydrophobicContact CG1-CD2 4.19Å; V42-F54 HydrophobicContact CG1-CE1 4.22Å; V42-F54 HydrophobicContact CG1-CZ 3.89Å; V42-F54 HydrophobicContact CG2-CE1 4.19Å; V42-F75 HydrophobicContact CB-CD1 4.37Å; V42-F75 HydrophobicContact CG2-CD1 4.08Å; V42-F75 HydrophobicContact CG2-CE1 4.21Å; V42-L259 HydrophobicContact CG2-CD2 4.09Å
43K98.3Very high97.1Very high98 Ų9852.6 Ų52.643%0.42628%0.281SS..Hα-helixtrans-57.2-48.8177.4-178.6-176.4169.2-166.80111.7I39 E40 L45 K46 E47I39-K43 PolarHBondContact O-N 3.43Å; E40-K43 PolarHBondContact O-N 3.49Å; K43-L45 VanDerWaalsContact C-N 3.31Å; K43-L45 PolarHBondContact O-N 2.94Å; K43-K46 WeakPolarHBondContact O-CB 3.46Å; K43-K46 PolarHBondContact O-N 3.49Å; K43-K46 VanDerWaalsContact O-N 3.13Å; K43-E47 WeakPolarHBondContact CE-OE1 3.41Å; K43-E47 IonicContact NZ-OE1 3.89Å; K43-E47 WeakPolarHBondContact O-CG 3.45Å; K43-E47 PolarHBondContact O-N 3.41Å
44R97.9Very high97.3Very high71 Ų7147.6 Ų47.627%0.26825%0.25SS..Hα-helixtrans-62.6-34.7178.5-73.8169.959.9-162.5-0.7113.2E40 A41 V42 S48 V263 D264 L267E40-R44 HydrophobicContact CG-CG 4.45Å; E40-R44 WeakPolarHBondContact O-CB 3.35Å; E40-R44 VanDerWaalsContact O-CG 3.3Å; E40-R44 WeakPolarHBondContact O-CG 3.4Å; E40-R44 PolarHBondContact O-N 3.29Å; E40-R44 WeakPolarHBondContact OE1-CG 3.48Å; A41-R44 PolarHBondContact O-N 3.11Å; V42-R44 PolarHBondContact O-N 2.8Å; R44-S48 PolarHBondContact O-N 3.17Å; R44-V263 HydrophobicContact CB-CG1 4.21Å; R44-D264 IonicContact CZ-OD1 3.84Å; R44-D264 VanDerWaalsContact CZ-OD1 3.25Å; R44-D264 IonicContact NH1-OD1 3.02Å; R44-D264 PolarHBondContact NH1-OD1 3.28Å; R44-D264 IonicContact NH2-OD1 3.79Å; R44-D264 PolarHBondContact NH2-OD1 2.65Å; R44-L267 HydrophobicContact CB-CD1 3.88Å
45L96.9Very high97.2Very high0 Ų046.5 Ų46.50%024%0.241CC..Hα-helixtrans-66.9-44173-74.7172000111.2V16 L18 A41 V42 K43 E47 S48 L50 L52 V263V16-L45 HydrophobicContact CG1-CD1 4.41Å; V16-L45 HydrophobicContact CG2-CD2 4.23Å; L18-L45 HydrophobicContact CD1-CD1 3.99Å; A41-L45 WeakPolarHBondContact O-CG 3.49Å; A41-L45 PolarHBondContact O-N 3.22Å; V42-L45 PolarHBondContact O-N 3.12Å; K43-L45 VanDerWaalsContact C-N 3.31Å; K43-L45 PolarHBondContact O-N 2.94Å; L45-E47 VanDerWaalsContact C-N 3.3Å; L45-E47 PolarHBondContact O-N 3.48Å; L45-S48 WeakPolarHBondContact O-CB 3.25Å; L45-S48 PolarHBondContact O-N 3.01Å; L45-S48 VanDerWaalsContact O-N 3.11Å; L45-S48 PolarHBondContact O-OG 3.41Å; L45-L50 HydrophobicContact CD2-CD1 4.05Å; L45-L52 HydrophobicContact CB-CD1 4.48Å; L45-L52 HydrophobicContact CB-CD2 4.03Å; L45-L52 HydrophobicContact CD1-CD1 4.07Å; L45-V263 HydrophobicContact CD1-CG2 3.61Å; L45-V263 HydrophobicContact CD2-CG1 4.45Å; L45-V263 HydrophobicContact CD2-CG2 4.06Å; L45-V263 HydrophobicContact CG-CG1 4.28Å; L45-V263 HydrophobicContact CG-CG2 3.69Å
46K96.4Very high97Very high58 Ų5846.6 Ų46.625%0.25224%0.242SC..Hα-helixtrans-63.6-33.2176.2-74.1-166.3161-158.50113.7V42 K43 S48 L52 D76 E81V42-K46 PolarHBondContact O-N 2.91Å; K43-K46 WeakPolarHBondContact O-CB 3.46Å; K43-K46 PolarHBondContact O-N 3.49Å; K43-K46 VanDerWaalsContact O-N 3.13Å; K46-S48 PolarHBondContact O-N 3.07Å; K46-L52 HydrophobicContact CG-CD2 3.76Å; K46-D76 WeakPolarHBondContact CE-O 3.44Å; K46-D76 PolarHBondContact NZ-O 3.32Å; K46-E81 WeakPolarHBondContact CE-OE1 3.25Å; K46-E81 VanDerWaalsContact NZ-CD 3.28Å; K46-E81 IonicContact NZ-OE1 2.88Å; K46-E81 PolarHBondContact NZ-OE1 3.13Å; K46-E81 IonicContact NZ-OE2 3.02Å; K46-E81 PolarHBondContact NZ-OE2 3.47Å
47E96.4Very high96.4Very high134 Ų13443.8 Ų43.863%0.62622%0.221SC*.THydrogen-bonded Turntrans-79.7-5.6176.3-70175171.800113.1K43 L45K43-E47 WeakPolarHBondContact CE-OE1 3.41Å; K43-E47 IonicContact NZ-OE1 3.89Å; K43-E47 WeakPolarHBondContact O-CG 3.45Å; K43-E47 PolarHBondContact O-N 3.41Å; L45-E47 VanDerWaalsContact C-N 3.3Å; L45-E47 PolarHBondContact O-N 3.48Å
48S94.8Very high96Very high33 Ų3343.5 Ų43.523%0.23121%0.208CC..THydrogen-bonded Turntrans-90.2-178177.380.70000112.4R44 L45 K46 L50R44-S48 PolarHBondContact O-N 3.17Å; L45-S48 WeakPolarHBondContact O-CB 3.25Å; L45-S48 PolarHBondContact O-N 3.01Å; L45-S48 VanDerWaalsContact O-N 3.11Å; L45-S48 PolarHBondContact O-OG 3.41Å; K46-S48 PolarHBondContact O-N 3.07Å; S48-L50 PolarHBondContact O-N 2.9Å; S48-L50 WeakPolarHBondContact OG-CB 3.38Å; S48-L50 PolarHBondContact OG-N 3.46Å
49D93.4Very high95.6Very high119 Ų11943.8 Ų43.864%0.63621%0.21SC*.THydrogen-bonded Turntrans-85.912.1175.767.9-37.1000113.6R270D49-R270 IonicContact OD1-CZ 3.36Å; D49-R270 IonicContact OD1-NE 3.02Å; D49-R270 PolarHBondContact OD1-NE 3.17Å; D49-R270 IonicContact OD1-NH2 2.95Å; D49-R270 PolarHBondContact OD1-NH2 3.13Å; D49-R270 IonicContact OD2-CZ 3.71Å; D49-R270 IonicContact OD2-NE 3.96Å; D49-R270 IonicContact OD2-NH2 2.7Å; D49-R270 PolarHBondContact OD2-NH2 3.49Å
50L95.6Very high95.3Very high12 Ų1243 Ų436%0.06321%0.205CC..SBendtrans-95.8132.1-178.7-64.6166.9000111.2L13 K14 V16 L45 S48 I266 L267L13-L50 HydrophobicContact CB-CD2 4.02Å; L13-L50 WeakPolarHBondContact O-CD2 3.42Å; K14-L50 WeakPolarHBondContact O-CA 3.38Å; V16-L50 HydrophobicContact CG2-CD1 3.98Å; L45-L50 HydrophobicContact CD2-CD1 4.05Å; S48-L50 PolarHBondContact O-N 2.9Å; S48-L50 WeakPolarHBondContact OG-CB 3.38Å; S48-L50 PolarHBondContact OG-N 3.46Å; L50-I266 HydrophobicContact CD1-CG2 3.8Å; L50-L267 HydrophobicContact CD1-CD2 4.35Å
51E97.3Very high95.1Very high89 Ų8939.8 Ų39.842%0.41620%0.195SC..EExtended strand (participates in β ladder)trans-64.5134.3164.5-75.6-64.214800110.1K14 G15 V16 R53 M204 L206K14-E51 PolarHBondContact O-N 3.46Å; G15-E51 CarbonylContact C-O 3.59Å; G15-E51 WeakPolarHBondContact CA-O 3.47Å; V16-E51 PolarHBondContact N-O 3.21Å; E51-R53 IonicContact OE2-CZ 3.2Å; E51-R53 IonicContact OE2-NH1 2.73Å; E51-R53 PolarHBondContact OE2-NH1 2.91Å; E51-R53 IonicContact OE2-NH2 2.81Å; E51-M204 HydrophobicContact CB-CE 3.54Å; E51-M204 VanDerWaalsContact O-CE 3.27Å; E51-M204 WeakPolarHBondContact O-CE 3.22Å; E51-L206 HydrophobicContact CB-CD1 4.46Å
52L98.2Very high95.1Very high7 Ų740.3 Ų40.34%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-120.5129.7-178.6-175.161.1000110.5V16 L18 V42 L45 K46 F54V16-L52 HydrophobicContact CB-CD1 4.16Å; V16-L52 HydrophobicContact CG1-CD1 4.37Å; V16-L52 WeakPolarHBondContact O-CA 3.29Å; L18-L52 HydrophobicContact CD1-CD1 3.79Å; L18-L52 HydrophobicContact CG-CD1 3.84Å; V42-L52 HydrophobicContact CG1-CD2 4.19Å; L45-L52 HydrophobicContact CB-CD1 4.48Å; L45-L52 HydrophobicContact CB-CD2 4.03Å; L45-L52 HydrophobicContact CD1-CD1 4.07Å; K46-L52 HydrophobicContact CG-CD2 3.76Å; L52-F54 HydrophobicContact CD2-CE1 4.14Å; L52-F54 HydrophobicContact CD2-CE2 4.21Å; L52-F54 HydrophobicContact CD2-CZ 3.52Å; L52-F54 HydrophobicContact CG-CE1 4.33Å; L52-F54 HydrophobicContact CG-CE2 4.19Å; L52-F54 HydrophobicContact CG-CZ 3.84Å
53R98.4Very high94.9Very high33 Ų3342.4 Ų42.413%0.12521%0.205CC..EExtended strand (participates in β ladder)trans-133.7155169.4-65.6-59.1-174.3-79.8-8110.9V16 I17 L18 E51 F83 V200 D203 M204V16-R53 PolarHBondContact O-N 2.91Å; V16-R53 VanDerWaalsContact O-N 3.08Å; I17-R53 WeakPolarHBondContact CA-O 3.44Å; L18-R53 PolarHBondContact N-O 3.22Å; E51-R53 IonicContact OE2-CZ 3.2Å; E51-R53 IonicContact OE2-NH1 2.73Å; E51-R53 PolarHBondContact OE2-NH1 2.91Å; E51-R53 IonicContact OE2-NH2 2.81Å; R53-F83 HydrophobicContact CB-CD2 4.48Å; R53-F83 HydrophobicContact CG-CE2 4.23Å; R53-V200 HydrophobicContact CB-CG1 3.75Å; R53-V200 HydrophobicContact CG-CG1 4.08Å; R53-D203 IonicContact CZ-OD2 2.64Å; R53-D203 IonicContact NE-OD2 3.3Å; R53-D203 PolarHBondContact NE-OD2 3Å; R53-D203 IonicContact NH2-OD2 3.41Å; R53-D203 PolarHBondContact NH2-OD2 3.34Å; R53-M204 HydrophobicContact CB-SD 4.1Å; R53-M204 HydrophobicContact CG-CE 4.28Å; R53-M204 HydrophobicContact CG-CG 3.47Å; R53-M204 VanDerWaalsContact CG-CG 3.47Å; R53-M204 HydrophobicContact CG-SD 3.68Å
54F98.3Very high94.9Very high0 Ų042.6 Ų42.60%021%0.207CC..EExtended strand (participates in β ladder)trans-118.2132.4-180-51.8-88.4000109.6L18 L20 L24 V42 L52 I77 E81 V82 F83L18-F54 HydrophobicContact CB-CD1 4.04Å; L18-F54 HydrophobicContact CD1-CD1 4.3Å; L18-F54 HydrophobicContact CD1-CE1 3.93Å; L18-F54 CarbonylContact O-C 3.53Å; L18-F54 VanDerWaalsContact O-CA 3.31Å; L18-F54 WeakPolarHBondContact O-CA 3.4Å; L20-F54 HydrophobicContact CD1-CB 4.02Å; L20-F54 HydrophobicContact CD2-CB 3.79Å; L20-F54 HydrophobicContact CD2-CD1 3.7Å; L20-F54 HydrophobicContact CD2-CG 4.02Å; L20-F54 HydrophobicContact CG-CB 4.02Å; L24-F54 HydrophobicContact CD2-CD1 4.11Å; L24-F54 HydrophobicContact CD2-CE1 3.92Å; V42-F54 HydrophobicContact CG1-CE1 4.22Å; V42-F54 HydrophobicContact CG1-CZ 3.89Å; V42-F54 HydrophobicContact CG2-CE1 4.19Å; L52-F54 HydrophobicContact CD2-CE1 4.14Å; L52-F54 HydrophobicContact CD2-CE2 4.21Å; L52-F54 HydrophobicContact CD2-CZ 3.52Å; L52-F54 HydrophobicContact CG-CE1 4.33Å; L52-F54 HydrophobicContact CG-CE2 4.19Å; L52-F54 HydrophobicContact CG-CZ 3.84Å; F54-I77 HydrophobicContact CD1-CD1 4.04Å; F54-I77 HydrophobicContact CD2-CD1 4.24Å; F54-I77 HydrophobicContact CD2-CG1 4.36Å; F54-I77 HydrophobicContact CD2-CG2 3.96Å; F54-I77 HydrophobicContact CE1-CD1 3.67Å; F54-I77 HydrophobicContact CE1-CG1 4.21Å; F54-I77 HydrophobicContact CE2-CB 4.39Å; F54-I77 HydrophobicContact CE2-CD1 3.91Å; F54-I77 HydrophobicContact CE2-CG1 3.7Å; F54-I77 HydrophobicContact CE2-CG2 3.93Å; F54-I77 HydrophobicContact CG-CD1 4.31Å; F54-I77 HydrophobicContact CZ-CD1 3.61Å; F54-I77 HydrophobicContact CZ-CG1 3.61Å; F54-E81 HydrophobicContact CD2-CB 3.8Å; F54-E81 HydrophobicContact CE2-CB 3.93Å; F54-E81 PolarHBondContact N-O 3.01Å; F54-V82 HydrophobicContact CB-CG2 4.15Å; F54-V82 HydrophobicContact CD2-CG2 4.21Å; F54-V82 CarbonylContact O-C 3.58Å; F54-V82 WeakPolarHBondContact O-CA 3.48Å; F54-F83 PolarHBondContact O-N 2.83Å
55C95.1Very high94.8Very high0 Ų044.9 Ų44.90%022%0.22CC..EExtended strand (participates in β ladder)trans-115.7142.1178.3-70.80000109.6I17 L18 D19 K191 F196I17-C55 HydrophobicContact CG2-CB 4.14Å; I17-C55 WeakPolarHBondContact CG2-SG 3.26Å; L18-C55 PolarHBondContact O-N 2.88Å; D19-C55 WeakPolarHBondContact CA-O 3.29Å; C55-K191 HydrophobicContact CB-CD 4.06Å; C55-F196 HydrophobicContact CB-CE1 3.72Å; C55-F196 HydrophobicContact CB-CZ 3.84Å; C55-F196 VanDerWaalsContact SG-CE1 3.54Å
56T91.9Very high94.7Very high7 Ų745.1 Ų45.14%0.04322%0.22CC..  trans-145.8155.6178.5-176.80000110.8L20 E58 F66 V82 F83 P84 P85L20-T56 HydrophobicContact CD1-CG2 3.98Å; T56-E58 VanDerWaalsContact C-N 3.33Å; T56-E58 HydrophobicContact CG2-CB 3.78Å; T56-E58 WeakPolarHBondContact OG1-CB 3.32Å; T56-E58 PolarHBondContact OG1-N 2.98Å; T56-F66 HydrophobicContact CG2-CD1 4.43Å; T56-F66 HydrophobicContact CG2-CE1 3.91Å; T56-F66 HydrophobicContact CG2-CZ 4.45Å; T56-V82 HydrophobicContact CG2-CG1 4.15Å; T56-F83 PolarHBondContact N-O 3.28Å; T56-P84 HydrophobicContact CG2-CB 3.86Å; T56-P85 WeakPolarHBondContact O-CD 3.43Å
57N85.8Confident94.7Very high49 Ų4942.4 Ų42.426%0.26221%0.209SC..  trans-99.321.9167.2-70.6-8.4000111.2T59 K191N57-T59 PolarHBondContact O-N 3.28Å; N57-K191 WeakPolarHBondContact OD1-CE 3.32Å; N57-K191 PolarHBondContact OD1-N 3.14Å
58E88.8Confident94.8Very high36 Ų3637.5 Ų37.517%0.16819%0.191CC..  trans-59.7123174.4176.961.3-103.400111T56 Q60 F66 P85T56-E58 VanDerWaalsContact C-N 3.33Å; T56-E58 HydrophobicContact CG2-CB 3.78Å; T56-E58 WeakPolarHBondContact OG1-CB 3.32Å; T56-E58 PolarHBondContact OG1-N 2.98Å; E58-Q60 WeakPolarHBondContact OE1-CA 2.94Å; E58-Q60 WeakPolarHBondContact OE1-CB 3.43Å; E58-Q60 PolarHBondContact OE1-N 3.17Å; E58-F66 HydrophobicContact CB-CD2 4.18Å; E58-F66 HydrophobicContact CB-CE1 4.49Å; E58-F66 HydrophobicContact CB-CE2 4.09Å; E58-F66 HydrophobicContact CB-CG 4.41Å; E58-F66 HydrophobicContact CB-CZ 4.26Å; E58-F66 HydrophobicContact CG-CB 4.31Å; E58-F66 HydrophobicContact CG-CD1 4.44Å; E58-F66 HydrophobicContact CG-CD2 3.54Å; E58-F66 HydrophobicContact CG-CE2 3.9Å; E58-F66 HydrophobicContact CG-CG 3.84Å; E58-F66 HydrophobicContact CG-CZ 4.49Å; E58-F66 WeakPolarHBondContact OE2-CD2 3.48Å; E58-F66 WeakPolarHBondContact OE2-CE2 3.3Å; E58-P85 WeakPolarHBondContact O-CD 3.49Å
59T91Very high94.8Very high7 Ų737.6 Ų37.64%0.04319%0.188CC..  trans-135.711.8-178.959.60000113.1N57 P85 L108 D127 L155N57-T59 PolarHBondContact O-N 3.28Å; T59-P85 HydrophobicContact CG2-CG 3.5Å; T59-P85 VanDerWaalsContact CG2-CG 3.5Å; T59-L108 WeakPolarHBondContact O-CB 3.42Å; T59-L108 VanDerWaalsContact O-CD2 3.3Å; T59-L108 WeakPolarHBondContact O-CD2 3.36Å; T59-D127 WeakPolarHBondContact OG1-CB 3.5Å; T59-D127 PolarHBondContact OG1-N 2.86Å; T59-L155 HydrophobicContact CG2-CB 3.44Å; T59-L155 VanDerWaalsContact CG2-CB 3.44Å; T59-L155 HydrophobicContact CG2-CD1 4.06Å; T59-L155 HydrophobicContact CG2-CG 4.41Å
60Q92.5Very high95Very high52 Ų5231.9 Ų31.924%0.24316%0.157CC..SBendtrans-102.6-17.1179.5-60.7-172.18.100113.4E58 H105 G107 L108 D127E58-Q60 WeakPolarHBondContact OE1-CA 2.94Å; E58-Q60 WeakPolarHBondContact OE1-CB 3.43Å; E58-Q60 PolarHBondContact OE1-N 3.17Å; Q60-H105 HydrophobicContact CB-CB 4.09Å; Q60-H105 HydrophobicContact CG-CB 4.2Å; Q60-H105 PolarHBondContact O-ND1 3.32Å; Q60-G107 CarbonylContact O-C 3.58Å; Q60-G107 VanDerWaalsContact O-CA 3.22Å; Q60-G107 WeakPolarHBondContact O-CA 3.5Å; Q60-L108 PolarHBondContact O-N 3.36Å; Q60-D127 HydrophobicContact CG-CB 4.23Å; Q60-D127 PolarHBondContact NE2-OD2 2.87Å
61A94.3Very high95.1Very high27 Ų2736.2 Ų36.222%0.22318%0.177CC..SBendtrans-137.2154.3-178.800000112.4K65 L108A61-K65 HydrophobicContact CB-CB 4.35Å; A61-L108 VanDerWaalsContact O-CD1 3.29Å; A61-L108 WeakPolarHBondContact O-CD1 3.5Å
62T96.4Very high95Very high11 Ų1139.1 Ų39.17%0.06718%0.184CC..  trans-55149.3167.262.30000111.5E64 K65 F66 G107 P110 E111T62-E64 PolarHBondContact O-N 3.3Å; T62-K65 PolarHBondContact O-N 3.22Å; T62-K65 VanDerWaalsContact O-N 3.17Å; T62-K65 VanDerWaalsContact OG1-CB 3.29Å; T62-K65 WeakPolarHBondContact OG1-CB 3.27Å; T62-K65 WeakPolarHBondContact OG1-CD 3.49Å; T62-K65 WeakPolarHBondContact OG1-CG 3.47Å; T62-K65 PolarHBondContact OG1-N 3.06Å; T62-F66 PolarHBondContact O-N 2.81Å; T62-G107 PolarHBondContact N-O 2.92Å; T62-P110 HydrophobicContact CG2-CB 3.83Å; T62-P110 HydrophobicContact CG2-CG 4.17Å; T62-E111 WeakPolarHBondContact CA-OE1 3.21Å; T62-E111 HydrophobicContact CG2-CG 4.14Å
63R95.9Very high94.9Very high47 Ų4740.2 Ų40.218%0.17719%0.19CC..Hα-helixtrans-50.9-42.6175.1-170.8-175179.51696.4111.7F66 V67 V79 S80 V82 P84 E111R63-F66 PolarHBondContact O-N 2.87Å; R63-V67 WeakPolarHBondContact O-CG2 3.39Å; R63-V67 PolarHBondContact O-N 2.85Å; R63-V79 HydrophobicContact CG-CG1 3.91Å; R63-V79 PolarHBondContact NE-O 3.49Å; R63-V79 PolarHBondContact NH2-O 2.79Å; R63-S80 VanDerWaalsContact NH2-CA 3.3Å; R63-S80 PolarHBondContact NH2-O 2.85Å; R63-V82 PolarHBondContact NE-O 2.94Å; R63-V82 PolarHBondContact NH2-O 3.41Å; R63-P84 HydrophobicContact CB-CG 4.04Å; R63-P84 HydrophobicContact CG-CG 3.92Å; R63-E111 WeakPolarHBondContact CB-OE1 3.46Å; R63-E111 PolarHBondContact N-OE1 2.83Å
64E96.8Very high94.9Very high102 Ų10240.7 Ų40.748%0.47721%0.205SC..Hα-helixtrans-64.1-50.3179.7-67.271.1-157.400112.1T62 F66 V67 A68 V79T62-E64 PolarHBondContact O-N 3.3Å; E64-F66 VanDerWaalsContact C-N 3.28Å; E64-F66 PolarHBondContact O-N 3.1Å; E64-V67 PolarHBondContact O-N 3.02Å; E64-A68 WeakPolarHBondContact O-CB 3.45Å; E64-A68 PolarHBondContact O-N 3.41Å; E64-V79 HydrophobicContact CG-CG1 4.48Å; E64-V79 HydrophobicContact CG-CG2 4.27Å
65K96.1Very high94.9Very high120 Ų12040.9 Ų40.952%0.52221%0.206SC..Hα-helixtrans-60.8-40.2177.2-73.2176.6-179.3175.60111.9A61 T62 A68 K69A61-K65 HydrophobicContact CB-CB 4.35Å; T62-K65 PolarHBondContact O-N 3.22Å; T62-K65 VanDerWaalsContact O-N 3.17Å; T62-K65 VanDerWaalsContact OG1-CB 3.29Å; T62-K65 WeakPolarHBondContact OG1-CB 3.27Å; T62-K65 WeakPolarHBondContact OG1-CD 3.49Å; T62-K65 WeakPolarHBondContact OG1-CG 3.47Å; T62-K65 PolarHBondContact OG1-N 3.06Å; K65-A68 PolarHBondContact O-N 3.1Å; K65-K69 PolarHBondContact O-N 3.45Å
66F95.5Very high94.9Very high4 Ų446.6 Ų46.62%0.01824%0.236CC..Hα-helixtrans-67.8-40.6178.9-177.4-105.3000111.9L20 Y25 T56 E58 T62 R63 E64 K69 L70 V82L20-F66 HydrophobicContact CB-CZ 4.49Å; L20-F66 HydrophobicContact CD1-CE1 3.45Å; L20-F66 VanDerWaalsContact CD1-CE1 3.45Å; L20-F66 HydrophobicContact CD1-CZ 3.92Å; Y25-F66 HydrophobicContact CE1-CZ 4.41Å; T56-F66 HydrophobicContact CG2-CD1 4.43Å; T56-F66 HydrophobicContact CG2-CE1 3.91Å; T56-F66 HydrophobicContact CG2-CZ 4.45Å; E58-F66 HydrophobicContact CB-CD2 4.18Å; E58-F66 HydrophobicContact CB-CE1 4.49Å; E58-F66 HydrophobicContact CB-CE2 4.09Å; E58-F66 HydrophobicContact CB-CG 4.41Å; E58-F66 HydrophobicContact CB-CZ 4.26Å; E58-F66 HydrophobicContact CG-CB 4.31Å; E58-F66 HydrophobicContact CG-CD1 4.44Å; E58-F66 HydrophobicContact CG-CD2 3.54Å; E58-F66 HydrophobicContact CG-CE2 3.9Å; E58-F66 HydrophobicContact CG-CG 3.84Å; E58-F66 HydrophobicContact CG-CZ 4.49Å; E58-F66 WeakPolarHBondContact OE2-CD2 3.48Å; E58-F66 WeakPolarHBondContact OE2-CE2 3.3Å; T62-F66 PolarHBondContact O-N 2.81Å; R63-F66 PolarHBondContact O-N 2.87Å; E64-F66 VanDerWaalsContact C-N 3.28Å; E64-F66 PolarHBondContact O-N 3.1Å; F66-K69 HydrophobicContact CD2-CD 4.41Å; F66-K69 WeakPolarHBondContact O-CB 3.45Å; F66-K69 PolarHBondContact O-N 2.91Å; F66-L70 HydrophobicContact CD1-CD1 4.28Å; F66-L70 HydrophobicContact CE1-CD1 3.84Å; F66-L70 HydrophobicContact CE1-CG 4.4Å; F66-L70 HydrophobicContact CZ-CD1 4.38Å; F66-L70 PolarHBondContact O-N 2.73Å; F66-L70 VanDerWaalsContact O-N 3.14Å; F66-V82 HydrophobicContact CD1-CG1 4.22Å; F66-V82 HydrophobicContact CE1-CG1 4.22Å
67V97.2Very high95.2Very high1 Ų146.3 Ų46.31%0.00623%0.234CC..Hα-helixtrans-65.3-41.1171.8169.60000112.1R63 E64 K69 L70 Q71 I77 V79 V82R63-V67 WeakPolarHBondContact O-CG2 3.39Å; R63-V67 PolarHBondContact O-N 2.85Å; E64-V67 PolarHBondContact O-N 3.02Å; V67-K69 PolarHBondContact O-N 2.93Å; V67-L70 PolarHBondContact O-N 3.42Å; V67-Q71 HydrophobicContact CG1-CG 4.28Å; V67-Q71 WeakPolarHBondContact O-CG 3.37Å; V67-Q71 PolarHBondContact O-N 3.01Å; V67-I77 HydrophobicContact CG1-CG2 4.47Å; V67-I77 WeakPolarHBondContact CG1-O 3.46Å; V67-V79 HydrophobicContact CB-CG2 4.21Å; V67-V79 HydrophobicContact CG1-CG2 4.19Å; V67-V79 HydrophobicContact CG2-CG2 4.45Å; V67-V82 HydrophobicContact CG2-CB 3.94Å; V67-V82 HydrophobicContact CG2-CG2 3.51Å
68A96.8Very high95.8Very high32 Ų3246 Ų4626%0.26424%0.236SC..Hα-helixtrans-59.7-33.9175.600000112.1E64 K65 R72E64-A68 WeakPolarHBondContact O-CB 3.45Å; E64-A68 PolarHBondContact O-N 3.41Å; K65-A68 PolarHBondContact O-N 3.1Å; A68-R72 WeakPolarHBondContact O-CG 3.38Å; A68-R72 PolarHBondContact O-N 2.98Å; A68-R72 VanDerWaalsContact O-N 3.12Å; A68-R72 PolarHBondContact O-NH1 3.45Å
69K95.7Very high96.2Very high34 Ų3446.6 Ų46.615%0.14824%0.242CC..Hα-helixtrans-62.7-50.2170.6164.1-176.4179.4-174.30111.6Y25 D31 K65 F66 V67 Q71 R72 L73Y25-K69 PolarHBondContact OH-NZ 3.27Å; D31-K69 HydrophobicContact CB-CG 3.96Å; D31-K69 WeakPolarHBondContact O-CE 3.3Å; D31-K69 WeakPolarHBondContact OD1-CG 3.43Å; K65-K69 PolarHBondContact O-N 3.45Å; F66-K69 HydrophobicContact CD2-CD 4.41Å; F66-K69 WeakPolarHBondContact O-CB 3.45Å; F66-K69 PolarHBondContact O-N 2.91Å; V67-K69 PolarHBondContact O-N 2.93Å; K69-Q71 VanDerWaalsContact C-N 3.27Å; K69-Q71 PolarHBondContact O-N 2.65Å; K69-R72 PolarHBondContact O-N 3.36Å; K69-R72 VanDerWaalsContact O-N 3.14Å; K69-L73 PolarHBondContact O-N 3.24Å; K69-L73 VanDerWaalsContact O-N 3.14Å
70L96.8Very high96.4Very high0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-59.6-38.8177.7-64174.8000112L20 Y25 F66 V67 R72 L73 G74 F75 I77L20-L70 HydrophobicContact CD1-CD1 4.18Å; L20-L70 HydrophobicContact CD2-CD1 3.93Å; Y25-L70 HydrophobicContact CD1-CD2 3.78Å; Y25-L70 HydrophobicContact CE1-CD2 3.79Å; F66-L70 HydrophobicContact CD1-CD1 4.28Å; F66-L70 HydrophobicContact CE1-CD1 3.84Å; F66-L70 HydrophobicContact CE1-CG 4.4Å; F66-L70 HydrophobicContact CZ-CD1 4.38Å; F66-L70 PolarHBondContact O-N 2.73Å; F66-L70 VanDerWaalsContact O-N 3.14Å; V67-L70 PolarHBondContact O-N 3.42Å; L70-R72 PolarHBondContact O-N 3.22Å; L70-L73 WeakPolarHBondContact O-CB 3.44Å; L70-L73 PolarHBondContact O-N 3.21Å; L70-L73 VanDerWaalsContact O-N 3.17Å; L70-G74 PolarHBondContact O-N 3.36Å; L70-F75 HydrophobicContact CB-CB 4.48Å; L70-F75 HydrophobicContact CB-CD2 4.42Å; L70-F75 HydrophobicContact CD2-CD2 4.47Å; L70-F75 WeakPolarHBondContact O-CD2 3.38Å; L70-F75 PolarHBondContact O-N 2.96Å; L70-F75 VanDerWaalsContact O-N 3.14Å; L70-I77 HydrophobicContact CB-CD1 4.47Å; L70-I77 HydrophobicContact CD1-CD1 4.1Å
71Q97.6Very high96.6Very high102 Ų10249 Ų4948%0.47726%0.262SS..Hα-helixtrans-63.8-39.9175.7-70.3172.7-14.500112.5V67 K69 L73 G74 F75 I77V67-Q71 HydrophobicContact CG1-CG 4.28Å; V67-Q71 WeakPolarHBondContact O-CG 3.37Å; V67-Q71 PolarHBondContact O-N 3.01Å; K69-Q71 VanDerWaalsContact C-N 3.27Å; K69-Q71 PolarHBondContact O-N 2.65Å; Q71-L73 PolarHBondContact O-N 3.08Å; Q71-G74 WeakPolarHBondContact O-CA 3.46Å; Q71-G74 PolarHBondContact O-N 3.13Å; Q71-F75 WeakPolarHBondContact CA-O 3.25Å; Q71-I77 PolarHBondContact NE2-O 3.33Å
72R96.7Very high96.8Very high151 Ų15147.7 Ų47.757%0.5725%0.251SS*.Hα-helixtrans-65-28.6174.1-72.7-171.4-55.7-86.85.2113D31 A68 K69 L70 G74D31-R72 VanDerWaalsContact CG-NH2 3.33Å; D31-R72 IonicContact OD1-CZ 2.8Å; D31-R72 IonicContact OD1-NH2 2.91Å; D31-R72 PolarHBondContact OD1-NH2 2.91Å; D31-R72 IonicContact OD2-CZ 3.3Å; D31-R72 VanDerWaalsContact OD2-CZ 3.3Å; D31-R72 IonicContact OD2-NE 2.66Å; D31-R72 PolarHBondContact OD2-NE 3.05Å; D31-R72 IonicContact OD2-NH2 2.82Å; D31-R72 PolarHBondContact OD2-NH2 3.43Å; A68-R72 WeakPolarHBondContact O-CG 3.38Å; A68-R72 PolarHBondContact O-N 2.98Å; A68-R72 VanDerWaalsContact O-N 3.12Å; A68-R72 PolarHBondContact O-NH1 3.45Å; K69-R72 PolarHBondContact O-N 3.36Å; K69-R72 VanDerWaalsContact O-N 3.14Å; L70-R72 PolarHBondContact O-N 3.22Å; R72-G74 PolarHBondContact O-N 3.3Å
73L96.3Very high96.8Very high29 Ų2948.7 Ų48.715%0.15225%0.254CS..THydrogen-bonded Turntrans-75.1-5172-65.2174.9000113.3Y25 D31 G32 I39 K69 L70 Q71 F75Y25-L73 HydrophobicContact CD2-CD1 4.02Å; Y25-L73 HydrophobicContact CG-CD1 3.9Å; D31-L73 HydrophobicContact CB-CD2 4.06Å; D31-L73 HydrophobicContact CB-CG 4.35Å; G32-L73 WeakPolarHBondContact O-CD2 3.5Å; I39-L73 VanDerWaalsContact CD1-O 3.3Å; I39-L73 WeakPolarHBondContact CD1-O 3.43Å; K69-L73 PolarHBondContact O-N 3.24Å; K69-L73 VanDerWaalsContact O-N 3.14Å; L70-L73 WeakPolarHBondContact O-CB 3.44Å; L70-L73 PolarHBondContact O-N 3.21Å; L70-L73 VanDerWaalsContact O-N 3.17Å; Q71-L73 PolarHBondContact O-N 3.08Å; L73-F75 HydrophobicContact CB-CD2 3.89Å; L73-F75 HydrophobicContact CB-CE2 3.92Å; L73-F75 HydrophobicContact CD1-CE2 4.45Å
74G97.1Very high96.8Very high43 Ų4346.9 Ų46.944%0.44325%0.249SC..THydrogen-bonded Turntrans98.38.5176.100000114.9I39 L70 Q71 R72I39-G74 WeakPolarHBondContact CG2-O 3.41Å; L70-G74 PolarHBondContact O-N 3.36Å; Q71-G74 WeakPolarHBondContact O-CA 3.46Å; Q71-G74 PolarHBondContact O-N 3.13Å; R72-G74 PolarHBondContact O-N 3.3Å
75F98.1Very high96.6Very high5 Ų542 Ų422%0.02223%0.226CC..  trans-83.5127.4176.2-62.4-78.3000111.4L24 A34 S38 I39 V42 L70 Q71 L73 I77L24-F75 HydrophobicContact CB-CE1 3.98Å; L24-F75 HydrophobicContact CB-CE2 4.29Å; L24-F75 HydrophobicContact CB-CZ 3.72Å; L24-F75 HydrophobicContact CD2-CD1 3.75Å; L24-F75 HydrophobicContact CD2-CE1 3.7Å; L24-F75 HydrophobicContact CD2-CG 4.2Å; L24-F75 HydrophobicContact CD2-CZ 4.13Å; L24-F75 HydrophobicContact CG-CD1 4.36Å; L24-F75 HydrophobicContact CG-CE1 3.8Å; L24-F75 HydrophobicContact CG-CZ 4.09Å; L24-F75 WeakPolarHBondContact O-CZ 3.36Å; A34-F75 HydrophobicContact CB-CE2 4.08Å; A34-F75 HydrophobicContact CB-CZ 3.94Å; S38-F75 WeakPolarHBondContact OG-CZ 2.98Å; I39-F75 HydrophobicContact CB-CD1 4.47Å; I39-F75 HydrophobicContact CB-CE1 4.25Å; I39-F75 HydrophobicContact CG1-CD1 4Å; I39-F75 HydrophobicContact CG1-CE1 3.63Å; I39-F75 HydrophobicContact CG1-CE2 4.35Å; I39-F75 HydrophobicContact CG1-CZ 3.8Å; V42-F75 HydrophobicContact CB-CD1 4.37Å; V42-F75 HydrophobicContact CG2-CD1 4.08Å; V42-F75 HydrophobicContact CG2-CE1 4.21Å; L70-F75 HydrophobicContact CB-CB 4.48Å; L70-F75 HydrophobicContact CB-CD2 4.42Å; L70-F75 HydrophobicContact CD2-CD2 4.47Å; L70-F75 WeakPolarHBondContact O-CD2 3.38Å; L70-F75 PolarHBondContact O-N 2.96Å; L70-F75 VanDerWaalsContact O-N 3.14Å; Q71-F75 WeakPolarHBondContact CA-O 3.25Å; L73-F75 HydrophobicContact CB-CD2 3.89Å; L73-F75 HydrophobicContact CB-CE2 3.92Å; L73-F75 HydrophobicContact CD1-CE2 4.45Å; F75-I77 HydrophobicContact CB-CD1 3.67Å; F75-I77 HydrophobicContact CB-CG1 3.87Å; F75-I77 HydrophobicContact CG-CD1 4.2Å; F75-I77 PolarHBondContact O-N 3.23Å
76D96.6Very high96.6Very high119 Ų11936.4 Ų36.464%0.63620%0.202SC*.  trans-76.189.6165.6178.123.3000108.8K46K46-D76 WeakPolarHBondContact CE-O 3.44Å; K46-D76 PolarHBondContact NZ-O 3.32Å
77I97.4Very high96.5Very high1 Ų138 Ų381%0.00521%0.213CC..  trans-134.8135.5-179.6-65.5175.2000108.8L24 F54 V67 L70 Q71 F75 V82L24-I77 HydrophobicContact CD2-CD1 3.8Å; F54-I77 HydrophobicContact CD1-CD1 4.04Å; F54-I77 HydrophobicContact CD2-CD1 4.24Å; F54-I77 HydrophobicContact CD2-CG1 4.36Å; F54-I77 HydrophobicContact CD2-CG2 3.96Å; F54-I77 HydrophobicContact CE1-CD1 3.67Å; F54-I77 HydrophobicContact CE1-CG1 4.21Å; F54-I77 HydrophobicContact CE2-CB 4.39Å; F54-I77 HydrophobicContact CE2-CD1 3.91Å; F54-I77 HydrophobicContact CE2-CG1 3.7Å; F54-I77 HydrophobicContact CE2-CG2 3.93Å; F54-I77 HydrophobicContact CG-CD1 4.31Å; F54-I77 HydrophobicContact CZ-CD1 3.61Å; F54-I77 HydrophobicContact CZ-CG1 3.61Å; V67-I77 HydrophobicContact CG1-CG2 4.47Å; V67-I77 WeakPolarHBondContact CG1-O 3.46Å; L70-I77 HydrophobicContact CB-CD1 4.47Å; L70-I77 HydrophobicContact CD1-CD1 4.1Å; Q71-I77 PolarHBondContact NE2-O 3.33Å; F75-I77 HydrophobicContact CB-CD1 3.67Å; F75-I77 HydrophobicContact CB-CG1 3.87Å; F75-I77 HydrophobicContact CG-CD1 4.2Å; F75-I77 PolarHBondContact O-N 3.23Å; I77-V82 HydrophobicContact CG2-CG2 3.4Å
78S97.3Very high96.2Very high42 Ų4239.5 Ų39.529%0.29423%0.225SC..  trans-101.1158.3175.768.30000111.4S80 E81S78-S80 VanDerWaalsContact C-N 3.3Å; S78-S80 PolarHBondContact O-N 2.88Å; S78-S80 PolarHBondContact OG-OG 2.7Å; S78-E81 WeakPolarHBondContact CB-OE2 3.37Å; S78-E81 PolarHBondContact N-OE2 2.82Å; S78-E81 PolarHBondContact O-N 3.43Å; S78-E81 VanDerWaalsContact O-N 3.15Å; S78-E81 VanDerWaalsContact OG-CG 3.23Å; S78-E81 WeakPolarHBondContact OG-CG 3.45Å; S78-E81 PolarHBondContact OG-OE2 3.38Å
79V97.2Very high96.2Very high50 Ų5038 Ų3830%0.30321%0.213SC..G310 helixtrans-54.2-48.8178.71770000110.6R63 E64 V67 E81 V82R63-V79 HydrophobicContact CG-CG1 3.91Å; R63-V79 PolarHBondContact NE-O 3.49Å; R63-V79 PolarHBondContact NH2-O 2.79Å; E64-V79 HydrophobicContact CG-CG1 4.48Å; E64-V79 HydrophobicContact CG-CG2 4.27Å; V67-V79 HydrophobicContact CB-CG2 4.21Å; V67-V79 HydrophobicContact CG1-CG2 4.19Å; V67-V79 HydrophobicContact CG2-CG2 4.45Å; V79-E81 PolarHBondContact O-N 3.31Å; V79-E81 VanDerWaalsContact O-N 3.08Å; V79-V82 PolarHBondContact O-N 3.34Å; V79-V82 VanDerWaalsContact O-N 3.11Å
80S96.4Very high96.2Very high79 Ų7937.2 Ų37.255%0.55221%0.21SC*.G310 helixtrans-58.2-23.4-178.543.80000114.9R63 S78R63-S80 VanDerWaalsContact NH2-CA 3.3Å; R63-S80 PolarHBondContact NH2-O 2.85Å; S78-S80 VanDerWaalsContact C-N 3.3Å; S78-S80 PolarHBondContact O-N 2.88Å; S78-S80 PolarHBondContact OG-OG 2.7Å
81E97.3Very high96Very high30 Ų3039.9 Ų39.914%0.1423%0.232CC..G310 helixtrans-84-16-178.5-67.516513700113.3K46 F54 S78 V79K46-E81 WeakPolarHBondContact CE-OE1 3.25Å; K46-E81 VanDerWaalsContact NZ-CD 3.28Å; K46-E81 IonicContact NZ-OE1 2.88Å; K46-E81 PolarHBondContact NZ-OE1 3.13Å; K46-E81 IonicContact NZ-OE2 3.02Å; K46-E81 PolarHBondContact NZ-OE2 3.47Å; F54-E81 HydrophobicContact CD2-CB 3.8Å; F54-E81 HydrophobicContact CE2-CB 3.93Å; F54-E81 PolarHBondContact N-O 3.01Å; S78-E81 WeakPolarHBondContact CB-OE2 3.37Å; S78-E81 PolarHBondContact N-OE2 2.82Å; S78-E81 PolarHBondContact O-N 3.43Å; S78-E81 VanDerWaalsContact O-N 3.15Å; S78-E81 VanDerWaalsContact OG-CG 3.23Å; S78-E81 WeakPolarHBondContact OG-CG 3.45Å; S78-E81 PolarHBondContact OG-OE2 3.38Å; V79-E81 PolarHBondContact O-N 3.31Å; V79-E81 VanDerWaalsContact O-N 3.08Å
82V97.7Very high95.9Very high0 Ų036.2 Ų36.20%022%0.217CC..EExtended strand (participates in β ladder)trans-102.7127.5-173.8-175.50000112.4L20 F54 T56 R63 F66 V67 I77 V79 P84L20-V82 HydrophobicContact CD1-CG1 3.92Å; F54-V82 HydrophobicContact CB-CG2 4.15Å; F54-V82 HydrophobicContact CD2-CG2 4.21Å; F54-V82 CarbonylContact O-C 3.58Å; F54-V82 WeakPolarHBondContact O-CA 3.48Å; T56-V82 HydrophobicContact CG2-CG1 4.15Å; R63-V82 PolarHBondContact NE-O 2.94Å; R63-V82 PolarHBondContact NH2-O 3.41Å; F66-V82 HydrophobicContact CD1-CG1 4.22Å; F66-V82 HydrophobicContact CE1-CG1 4.22Å; V67-V82 HydrophobicContact CG2-CB 3.94Å; V67-V82 HydrophobicContact CG2-CG2 3.51Å; I77-V82 HydrophobicContact CG2-CG2 3.4Å; V79-V82 PolarHBondContact O-N 3.34Å; V79-V82 VanDerWaalsContact O-N 3.11Å; V82-P84 WeakPolarHBondContact O-CD 3.3Å
83F96.3Very high95.9Very high31 Ų3129.1 Ų29.114%0.13619%0.19CC..EExtended strand (participates in β ladder)trans-113.490.5-176-74.1-108.1000110.2R53 F54 T56 F196 V200 D203R53-F83 HydrophobicContact CB-CD2 4.48Å; R53-F83 HydrophobicContact CG-CE2 4.23Å; F54-F83 PolarHBondContact O-N 2.83Å; T56-F83 PolarHBondContact N-O 3.28Å; F83-F196 HydrophobicContact CB-CE2 4.27Å; F83-F196 HydrophobicContact CB-CZ 4.07Å; F83-F196 VanDerWaalsContact O-CZ 3.3Å; F83-F196 WeakPolarHBondContact O-CZ 3.25Å; F83-V200 HydrophobicContact CB-CG2 3.99Å; F83-V200 HydrophobicContact CD1-CB 4.46Å; F83-V200 HydrophobicContact CD1-CG2 3.71Å; F83-V200 HydrophobicContact CD2-CG1 4.47Å; F83-V200 HydrophobicContact CE1-CG2 4.38Å; F83-V200 HydrophobicContact CG-CG2 3.82Å; F83-D203 HydrophobicContact CE1-CB 4.11Å; F83-D203 HydrophobicContact CZ-CB 3.7Å
84P95.2Very high95.9Very high10 Ų1034.5 Ų34.57%0.06521%0.212CC..  trans-83.9166166.331.6-29.1000111.4T56 R63 V82 P87T56-P84 HydrophobicContact CG2-CB 3.86Å; R63-P84 HydrophobicContact CB-CG 4.04Å; R63-P84 HydrophobicContact CG-CG 3.92Å; V82-P84 WeakPolarHBondContact O-CD 3.3Å; P84-P87 HydrophobicContact CG-CG 4.02Å; P84-P87 WeakPolarHBondContact O-CD 3.1Å
85P94.3Very high95.8Very high0 Ų040.3 Ų40.30%023%0.228CC..Hα-helixtrans-70.4-28.4-179.327.9-37.7000114.2T56 E58 T59 A88 A89 L155 I189T56-P85 WeakPolarHBondContact O-CD 3.43Å; E58-P85 WeakPolarHBondContact O-CD 3.49Å; T59-P85 HydrophobicContact CG2-CG 3.5Å; T59-P85 VanDerWaalsContact CG2-CG 3.5Å; P85-A88 WeakPolarHBondContact O-CB 3.4Å; P85-A88 PolarHBondContact O-N 3.45Å; P85-A89 PolarHBondContact O-N 3.14Å; P85-L155 HydrophobicContact CB-CB 4.07Å; P85-L155 HydrophobicContact CB-CD2 4.32Å; P85-L155 WeakPolarHBondContact CB-O 3.41Å; P85-L155 HydrophobicContact CG-CB 4Å; P85-L155 WeakPolarHBondContact CG-O 3.22Å; P85-I189 HydrophobicContact CB-CG2 4.23Å; P85-I189 WeakPolarHBondContact O-CG2 3.48Å
86A95Very high95.7Very high1 Ų145.7 Ų45.71%0.00825%0.248CC..Hα-helixtrans-63.2-46.1-171.700000114.1A88 A89 I90 L108 E111 F112 L155A86-A88 VanDerWaalsContact C-N 3.27Å; A86-A88 PolarHBondContact O-N 3.18Å; A86-A89 WeakPolarHBondContact O-CB 3.12Å; A86-A89 PolarHBondContact O-N 2.95Å; A86-A89 VanDerWaalsContact O-N 3.12Å; A86-I90 WeakPolarHBondContact O-CG1 3.42Å; A86-I90 PolarHBondContact O-N 3.48Å; A86-L108 HydrophobicContact CB-CD1 3.9Å; A86-L108 HydrophobicContact CB-CD2 4.13Å; A86-L108 HydrophobicContact CB-CG 4.36Å; A86-E111 HydrophobicContact CB-CB 4.49Å; A86-E111 HydrophobicContact CB-CG 4.41Å; A86-F112 HydrophobicContact CB-CE2 4.05Å; A86-F112 HydrophobicContact CB-CZ 4.02Å; A86-L155 HydrophobicContact CB-CD1 4.47Å
87P93.2Very high95.7Very high39 Ų3942.5 Ų42.525%0.25324%0.244SC..Hα-helixtrans-58.7-36.4173.7-27.136.8000113.5P84 I90 A91P84-P87 HydrophobicContact CG-CG 4.02Å; P84-P87 WeakPolarHBondContact O-CD 3.1Å; P87-I90 PolarHBondContact O-N 2.95Å; P87-A91 PolarHBondContact O-N 2.81Å
88A92.4Very high95.8Very high31 Ų3143.8 Ų43.826%0.25625%0.25SS..Hα-helixtrans-66.8-41.2175.900000111.4P85 A86 I90 A91 V92 I189P85-A88 WeakPolarHBondContact O-CB 3.4Å; P85-A88 PolarHBondContact O-N 3.45Å; A86-A88 VanDerWaalsContact C-N 3.27Å; A86-A88 PolarHBondContact O-N 3.18Å; A88-I90 VanDerWaalsContact C-N 3.35Å; A88-I90 PolarHBondContact O-N 3.37Å; A88-A91 WeakPolarHBondContact O-CB 3.32Å; A88-A91 PolarHBondContact O-N 3.36Å; A88-V92 WeakPolarHBondContact O-CG2 3.31Å; A88-V92 PolarHBondContact O-N 2.95Å; A88-V92 VanDerWaalsContact O-N 3.11Å; A88-I189 HydrophobicContact CB-CG2 3.77Å
89A95.3Very high95.8Very high1 Ų144.8 Ų44.81%0.00825%0.248CC..Hα-helixtrans-62-42.9174.100000111.5P85 A86 A91 V92 L93 I124 L155 I189P85-A89 PolarHBondContact O-N 3.14Å; A86-A89 WeakPolarHBondContact O-CB 3.12Å; A86-A89 PolarHBondContact O-N 2.95Å; A86-A89 VanDerWaalsContact O-N 3.12Å; A89-A91 VanDerWaalsContact C-N 3.31Å; A89-A91 PolarHBondContact O-N 2.89Å; A89-V92 PolarHBondContact O-N 3.4Å; A89-L93 WeakPolarHBondContact O-CG 3.35Å; A89-L93 PolarHBondContact O-N 2.97Å; A89-I124 HydrophobicContact CB-CD1 4.1Å; A89-L155 HydrophobicContact CB-CD2 3.56Å; A89-I189 HydrophobicContact CB-CG1 4.41Å; A89-I189 HydrophobicContact CB-CG2 4.25Å
90I96Very high95.9Very high17 Ų1742.5 Ų42.59%0.08723%0.234CC..Hα-helixtrans-60.3-40.5176.4-67.1163.2000111.5A86 P87 A88 L93 K94 E111 F112 V115A86-I90 WeakPolarHBondContact O-CG1 3.42Å; A86-I90 PolarHBondContact O-N 3.48Å; P87-I90 PolarHBondContact O-N 2.95Å; A88-I90 VanDerWaalsContact C-N 3.35Å; A88-I90 PolarHBondContact O-N 3.37Å; I90-L93 PolarHBondContact O-N 3.24Å; I90-K94 HydrophobicContact CG2-CD 4.2Å; I90-K94 WeakPolarHBondContact O-CG 3.02Å; I90-K94 PolarHBondContact O-N 3.48Å; I90-E111 HydrophobicContact CD1-CB 4.22Å; I90-E111 WeakPolarHBondContact CD1-O 3.47Å; I90-F112 HydrophobicContact CD1-CD1 4.12Å; I90-F112 HydrophobicContact CD1-CE1 4.2Å; I90-F112 HydrophobicContact CD1-CG 4.48Å; I90-F112 HydrophobicContact CG1-CD1 3.65Å; I90-F112 HydrophobicContact CG1-CE1 3.58Å; I90-F112 HydrophobicContact CG1-CG 4.47Å; I90-F112 HydrophobicContact CG1-CZ 4.36Å; I90-V115 HydrophobicContact CG1-CG2 4.13Å; I90-V115 HydrophobicContact CG2-CG2 3.99Å
91A93.4Very high96Very high57 Ų5740.7 Ų40.747%0.47122%0.217SC..Hα-helixtrans-60.8-45.9175.700000111.5P87 A88 A89 L93 K94 E95P87-A91 PolarHBondContact O-N 2.81Å; A88-A91 WeakPolarHBondContact O-CB 3.32Å; A88-A91 PolarHBondContact O-N 3.36Å; A89-A91 VanDerWaalsContact C-N 3.31Å; A89-A91 PolarHBondContact O-N 2.89Å; A91-L93 PolarHBondContact O-N 3.21Å; A91-K94 PolarHBondContact O-N 2.8Å; A91-E95 WeakPolarHBondContact O-CB 3.45Å; A91-E95 PolarHBondContact O-N 3.04Å
92V94.8Very high96Very high25 Ų2540.9 Ų40.915%0.15222%0.218CC..Hα-helixtrans-62.5-42.1176.7173.60000111.8A88 A89 K94 E95 R96 F153 I189A88-V92 WeakPolarHBondContact O-CG2 3.31Å; A88-V92 PolarHBondContact O-N 2.95Å; A88-V92 VanDerWaalsContact O-N 3.11Å; A89-V92 PolarHBondContact O-N 3.4Å; V92-K94 VanDerWaalsContact C-N 3.33Å; V92-K94 PolarHBondContact O-N 3.24Å; V92-E95 PolarHBondContact O-N 3.01Å; V92-R96 HydrophobicContact CG1-CG 4.34Å; V92-R96 WeakPolarHBondContact O-CB 3.25Å; V92-R96 WeakPolarHBondContact O-CG 3.42Å; V92-R96 PolarHBondContact O-N 2.94Å; V92-F153 HydrophobicContact CG1-CE1 3.71Å; V92-F153 HydrophobicContact CG1-CZ 3.62Å; V92-I189 HydrophobicContact CG2-CD1 4.45Å
93L97.1Very high96.1Very high2 Ų241.1 Ų41.11%0.0122%0.219CC..Hα-helixtrans-59.3-45.4176.5-69177.4000111.6A89 I90 A91 G97 L98 P100 F112 V115 C122 I124 F153A89-L93 WeakPolarHBondContact O-CG 3.35Å; A89-L93 PolarHBondContact O-N 2.97Å; I90-L93 PolarHBondContact O-N 3.24Å; A91-L93 PolarHBondContact O-N 3.21Å; L93-G97 WeakPolarHBondContact O-CA 3.46Å; L93-G97 PolarHBondContact O-N 2.88Å; L93-L98 HydrophobicContact CD2-CB 3.61Å; L93-L98 HydrophobicContact CD2-CD1 4.43Å; L93-L98 PolarHBondContact O-N 2.99Å; L93-P100 HydrophobicContact CD1-CB 4.22Å; L93-P100 HydrophobicContact CD1-CG 3.67Å; L93-P100 HydrophobicContact CD2-CB 4.29Å; L93-P100 HydrophobicContact CD2-CG 4.48Å; L93-F112 HydrophobicContact CD1-CD1 4.45Å; L93-F112 HydrophobicContact CD1-CE1 4.42Å; L93-V115 HydrophobicContact CD1-CG1 3.76Å; L93-V115 HydrophobicContact CD1-CG2 4.38Å; L93-C122 VanDerWaalsContact CD2-SG 3.54Å; L93-I124 HydrophobicContact CD1-CD1 3.65Å; L93-I124 HydrophobicContact CD2-CD1 4.14Å; L93-I124 HydrophobicContact CG-CD1 4.07Å; L93-F153 HydrophobicContact CD2-CE2 4.27Å
94K96.1Very high96.2Very high142 Ų14239.9 Ų39.962%0.61721%0.214SC*.Hα-helixtrans-64.7-47178.8-72.9174.1-179.9175.80111.6I90 A91 V92 R96 G97I90-K94 HydrophobicContact CG2-CD 4.2Å; I90-K94 WeakPolarHBondContact O-CG 3.02Å; I90-K94 PolarHBondContact O-N 3.48Å; A91-K94 PolarHBondContact O-N 2.8Å; V92-K94 VanDerWaalsContact C-N 3.33Å; V92-K94 PolarHBondContact O-N 3.24Å; K94-R96 VanDerWaalsContact C-N 3.31Å; K94-R96 PolarHBondContact O-N 3Å; K94-G97 PolarHBondContact O-N 3.36Å
95E95.4Very high96.3Very high164 Ų16442.1 Ų42.177%0.76622%0.224SC*.Hα-helixtrans-59.4-42179.1-174.8-173168.400111.9A91 V92A91-E95 WeakPolarHBondContact O-CB 3.45Å; A91-E95 PolarHBondContact O-N 3.04Å; V92-E95 PolarHBondContact O-N 3.01Å
96R96.3Very high96.4Very high118 Ų11846.8 Ų46.845%0.44525%0.249SC..Hα-helixtrans-92.8-0.1-176.5-60-174-171.5179.711.6114.1V92 K94 L98 E187V92-R96 HydrophobicContact CG1-CG 4.34Å; V92-R96 WeakPolarHBondContact O-CB 3.25Å; V92-R96 WeakPolarHBondContact O-CG 3.42Å; V92-R96 PolarHBondContact O-N 2.94Å; K94-R96 VanDerWaalsContact C-N 3.31Å; K94-R96 PolarHBondContact O-N 3Å; R96-L98 VanDerWaalsContact C-N 3.3Å; R96-L98 HydrophobicContact CB-CD1 3.79Å; R96-L98 HydrophobicContact CB-CG 3.74Å; R96-L98 PolarHBondContact O-N 3.42Å; R96-E187 IonicContact CZ-OE1 2.97Å; R96-E187 IonicContact CZ-OE2 3.86Å; R96-E187 VanDerWaalsContact CZ-OE2 3.3Å; R96-E187 VanDerWaalsContact NH1-CD 3.27Å; R96-E187 IonicContact NH1-OE1 2.8Å; R96-E187 PolarHBondContact NH1-OE1 2.93Å; R96-E187 IonicContact NH1-OE2 2.9Å; R96-E187 PolarHBondContact NH1-OE2 3.17Å; R96-E187 IonicContact NH2-OE2 3.83Å; R96-E187 PolarHBondContact NH2-OE2 2.97Å
97G96.5Very high96.4Very high53 Ų5347.6 Ų47.655%0.54626%0.257SS..THydrogen-bonded Turntrans61.235.8-177.300000113.7L93 K94L93-G97 WeakPolarHBondContact O-CA 3.46Å; L93-G97 PolarHBondContact O-N 2.88Å; K94-G97 PolarHBondContact O-N 3.36Å
98L98Very high96.6Very high28 Ų2845.8 Ų45.815%0.14725%0.245CC..  trans-94.2150.3-176.7-62.3175000112L93 R96 N121 C122 V151 F153L93-L98 HydrophobicContact CD2-CB 3.61Å; L93-L98 HydrophobicContact CD2-CD1 4.43Å; L93-L98 PolarHBondContact O-N 2.99Å; R96-L98 VanDerWaalsContact C-N 3.3Å; R96-L98 HydrophobicContact CB-CD1 3.79Å; R96-L98 HydrophobicContact CB-CG 3.74Å; R96-L98 PolarHBondContact O-N 3.42Å; L98-N121 WeakPolarHBondContact CA-OD1 3.33Å; L98-C122 HydrophobicContact CD1-CB 4.39Å; L98-V151 HydrophobicContact CD1-CG1 4.45Å; L98-F153 HydrophobicContact CD1-CE2 3.6Å; L98-F153 HydrophobicContact CD1-CZ 3.81Å
99R98.3Very high96.8Very high63 Ų6347.6 Ų47.624%0.23825%0.25CS..  trans-124.7112.3178.9-63.3-176.7-55.3-74.5-8.2108.3D116 T118 N119 P120 N121 C122R99-D116 VanDerWaalsContact CA-O 3.28Å; R99-D116 WeakPolarHBondContact CA-O 3.48Å; R99-D116 VanDerWaalsContact CB-O 3.23Å; R99-D116 WeakPolarHBondContact CB-O 3.15Å; R99-D116 VanDerWaalsContact CD-CG 3.46Å; R99-D116 WeakPolarHBondContact CD-OD2 3.23Å; R99-D116 HydrophobicContact CG-CB 4.13Å; R99-D116 WeakPolarHBondContact CG-O 3.29Å; R99-T118 WeakPolarHBondContact CD-O 3.49Å; R99-T118 PolarHBondContact NE-O 3.19Å; R99-N119 PolarHBondContact NE-O 2.9Å; R99-N119 PolarHBondContact NH2-O 3.15Å; R99-P120 CarbonylContact O-C 3.58Å; R99-P120 WeakPolarHBondContact O-CA 3.38Å; R99-N121 PolarHBondContact N-OD1 3.08Å; R99-N121 PolarHBondContact O-N 3.09Å; R99-N121 PolarHBondContact O-OD1 3.39Å; R99-C122 PolarHBondContact O-N 2.75Å
100P98.6Very high97Very high2 Ų250.3 Ų50.31%0.01327%0.268CS..EExtended strand (participates in β ladder)trans-87.8144.5-169.335.7-36.8000112.3L93 L102 V115 D116 K117 C122 I124L93-P100 HydrophobicContact CD1-CB 4.22Å; L93-P100 HydrophobicContact CD1-CG 3.67Å; L93-P100 HydrophobicContact CD2-CB 4.29Å; L93-P100 HydrophobicContact CD2-CG 4.48Å; P100-L102 HydrophobicContact CB-CD2 3.8Å; P100-L102 HydrophobicContact CB-CG 4.47Å; P100-L102 HydrophobicContact CG-CD2 3.76Å; P100-L102 HydrophobicContact CG-CG 4.28Å; P100-V115 VanDerWaalsContact CD-CG1 3.46Å; P100-V115 HydrophobicContact CG-CG1 3.87Å; P100-D116 WeakPolarHBondContact CD-O 3.3Å; P100-K117 HydrophobicContact CG-CG 4.35Å; P100-C122 CarbonylContact C-O 3.19Å; P100-C122 WeakPolarHBondContact CA-O 3.29Å; P100-C122 VanDerWaalsContact CA-SG 3.57Å; P100-I124 HydrophobicContact CB-CD1 4.02Å; P100-I124 HydrophobicContact CB-CG1 3.98Å; P100-I124 HydrophobicContact CG-CD1 4.44Å
101H98.7Very high97Very high41 Ų4151 Ų5119%0.1927%0.271CS..EExtended strand (participates in β ladder)trans-83.6129.6146.4177.587.3000108P120 C122 V123 I124 V143H101-P120 HydrophobicContact CB-CB 3.82Å; H101-P120 HydrophobicContact CB-CG 4.08Å; H101-C122 PolarHBondContact N-O 2.93Å; H101-V123 HydrophobicContact CB-CG2 4.23Å; H101-V123 WeakPolarHBondContact O-CA 3.13Å; H101-I124 PolarHBondContact O-N 3.19Å; H101-V143 HydrophobicContact CB-CB 4.48Å; H101-V143 HydrophobicContact CB-CG1 4.23Å; H101-V143 HydrophobicContact CB-CG2 4.03Å
102L98.6Very high97.2Very high33 Ų3348.3 Ų48.317%0.17325%0.248CC..EExtended strand (participates in β ladder)trans-103.5121-173.6-61.3177.6000110.3P100 V104 L109 F112 K117 I124P100-L102 HydrophobicContact CB-CD2 3.8Å; P100-L102 HydrophobicContact CB-CG 4.47Å; P100-L102 HydrophobicContact CG-CD2 3.76Å; P100-L102 HydrophobicContact CG-CG 4.28Å; L102-V104 HydrophobicContact CB-CG2 4.16Å; L102-L109 HydrophobicContact CB-CD2 4.41Å; L102-L109 HydrophobicContact CD1-CD2 3.96Å; L102-F112 HydrophobicContact CD1-CB 3.66Å; L102-F112 HydrophobicContact CD1-CD2 4.16Å; L102-F112 HydrophobicContact CD1-CG 3.87Å; L102-F112 HydrophobicContact CD2-CD1 4.04Å; L102-F112 HydrophobicContact CD2-CD2 4.43Å; L102-F112 HydrophobicContact CD2-CE1 4.25Å; L102-F112 HydrophobicContact CD2-CG 4.13Å; L102-K117 HydrophobicContact CD1-CD 3.84Å; L102-K117 HydrophobicContact CG-CD 4.48Å; L102-I124 HydrophobicContact CD2-CB 3.91Å; L102-I124 HydrophobicContact CD2-CD1 4.22Å; L102-I124 HydrophobicContact CD2-CG1 4.42Å; L102-I124 HydrophobicContact CD2-CG2 4.44Å
103L98.4Very high97.3Very high5 Ų552.8 Ų52.83%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-112.581.516518054.8000108.2I124 I125 G126 A128 F132 N136 L137 A140L103-I124 PolarHBondContact N-O 3.08Å; L103-I125 HydrophobicContact CB-CG1 4.2Å; L103-I125 HydrophobicContact CD2-CD1 3.9Å; L103-I125 HydrophobicContact CD2-CG1 4Å; L103-I125 HydrophobicContact CG-CD1 4.46Å; L103-I125 HydrophobicContact CG-CG1 4.03Å; L103-I125 WeakPolarHBondContact O-CA 3.46Å; L103-G126 PolarHBondContact O-N 2.85Å; L103-A128 HydrophobicContact CD1-CB 4.28Å; L103-F132 HydrophobicContact CD2-CD1 4.41Å; L103-F132 HydrophobicContact CG-CD1 4.43Å; L103-F132 HydrophobicContact CG-CE1 4.39Å; L103-N136 HydrophobicContact CD1-CB 3.73Å; L103-L137 HydrophobicContact CD2-CD2 3.73Å; L103-L137 HydrophobicContact CD2-CG 4.26Å; L103-A140 HydrophobicContact CD2-CB 4.24Å
104V97.8Very high97.2Very high5 Ų557.1 Ų57.13%0.0331%0.308CS..SBendtrans-138.6170.4-174.7-590000109.9L102 L108 L109 I124 N131 L155L102-V104 HydrophobicContact CB-CG2 4.16Å; V104-L108 HydrophobicContact CB-CD2 4.15Å; V104-L108 HydrophobicContact CG1-CD2 4.21Å; V104-L108 HydrophobicContact CG2-CB 4.44Å; V104-L109 HydrophobicContact CG2-CD2 3.69Å; V104-L109 HydrophobicContact CG2-CG 4.35Å; V104-I124 HydrophobicContact CG1-CG2 4.26Å; V104-N131 PolarHBondContact O-ND2 2.68Å; V104-L155 HydrophobicContact CG1-CD1 4.3Å
105H97.2Very high97.2Very high58 Ų5851 Ų5127%0.26928%0.282SS..  trans-66.9145.4171.9-170.8-104.1000111.7Q60 G107 L108 D127Q60-H105 HydrophobicContact CB-CB 4.09Å; Q60-H105 HydrophobicContact CG-CB 4.2Å; Q60-H105 PolarHBondContact O-ND1 3.32Å; H105-G107 PolarHBondContact ND1-N 2.72Å; H105-G107 PolarHBondContact O-N 2.8Å; H105-G107 VanDerWaalsContact O-N 3.16Å; H105-L108 WeakPolarHBondContact O-CB 3.39Å; H105-L108 PolarHBondContact O-N 3.06Å; H105-D127 WeakPolarHBondContact CB-O 3.49Å; H105-D127 PolarHBondContact N-O 2.91Å; H105-D127 VanDerWaalsContact N-O 3.17Å
106D96.7Very high97.3Very high98 Ų9847.2 Ų47.252%0.52427%0.267SS..THydrogen-bonded Turntrans-58.1-33.6-178.9-67.2-4.1000112.7L108 L109 N131D106-L108 PolarHBondContact O-N 2.82Å; D106-L109 HydrophobicContact CB-CD1 4.38Å; D106-L109 WeakPolarHBondContact O-CB 3.26Å; D106-L109 PolarHBondContact O-N 3.38Å; D106-N131 PolarHBondContact OD1-ND2 2.91Å
107G96.5Very high97.4Very high17 Ų1745.6 Ų45.618%0.17526%0.263CS..THydrogen-bonded Turntrans-66.1-18.8177.300000114.5Q60 T62 H105Q60-G107 CarbonylContact O-C 3.58Å; Q60-G107 VanDerWaalsContact O-CA 3.22Å; Q60-G107 WeakPolarHBondContact O-CA 3.5Å; T62-G107 PolarHBondContact N-O 2.92Å; H105-G107 PolarHBondContact ND1-N 2.72Å; H105-G107 PolarHBondContact O-N 2.8Å; H105-G107 VanDerWaalsContact O-N 3.16Å
108L97Very high97.4Very high2 Ų247.4 Ų47.41%0.0126%0.264CS..THydrogen-bonded Turntrans-91.7-22.7176.6-168.369.8000112.6T59 Q60 A61 A86 V104 H105 D106 P110 E111 F112 L155T59-L108 WeakPolarHBondContact O-CB 3.42Å; T59-L108 VanDerWaalsContact O-CD2 3.3Å; T59-L108 WeakPolarHBondContact O-CD2 3.36Å; Q60-L108 PolarHBondContact O-N 3.36Å; A61-L108 VanDerWaalsContact O-CD1 3.29Å; A61-L108 WeakPolarHBondContact O-CD1 3.5Å; A86-L108 HydrophobicContact CB-CD1 3.9Å; A86-L108 HydrophobicContact CB-CD2 4.13Å; A86-L108 HydrophobicContact CB-CG 4.36Å; V104-L108 HydrophobicContact CB-CD2 4.15Å; V104-L108 HydrophobicContact CG1-CD2 4.21Å; V104-L108 HydrophobicContact CG2-CB 4.44Å; H105-L108 WeakPolarHBondContact O-CB 3.39Å; H105-L108 PolarHBondContact O-N 3.06Å; D106-L108 PolarHBondContact O-N 2.82Å; L108-P110 VanDerWaalsContact C-N 3.27Å; L108-P110 VanDerWaalsContact O-N 3.09Å; L108-E111 HydrophobicContact CD1-CB 4.46Å; L108-E111 HydrophobicContact CD1-CG 3.87Å; L108-E111 WeakPolarHBondContact O-CB 3.44Å; L108-E111 PolarHBondContact O-N 2.91Å; L108-F112 HydrophobicContact CD2-CE2 3.85Å; L108-F112 HydrophobicContact CG-CE2 4.03Å; L108-L155 HydrophobicContact CD2-CD1 3.64Å
109L97Very high97.3Very high69 Ų6952.3 Ų52.336%0.36129%0.29SS..G310 helixtrans-48.1-40.4-177.1-66.4173.3000114.5L102 V104 D106 E111 F112L102-L109 HydrophobicContact CB-CD2 4.41Å; L102-L109 HydrophobicContact CD1-CD2 3.96Å; V104-L109 HydrophobicContact CG2-CD2 3.69Å; V104-L109 HydrophobicContact CG2-CG 4.35Å; D106-L109 HydrophobicContact CB-CD1 4.38Å; D106-L109 WeakPolarHBondContact O-CB 3.26Å; D106-L109 PolarHBondContact O-N 3.38Å; L109-E111 PolarHBondContact O-N 3.03Å; L109-E111 VanDerWaalsContact O-N 3.15Å; L109-F112 PolarHBondContact O-N 3.41Å
110P97.8Very high97.3Very high57 Ų5751 Ų5137%0.3729%0.29SS..G310 helixtrans-60.8-24.2179.9-23.834.8000114.9T62 L108 F112 D113T62-P110 HydrophobicContact CG2-CB 3.83Å; T62-P110 HydrophobicContact CG2-CG 4.17Å; L108-P110 VanDerWaalsContact C-N 3.27Å; L108-P110 VanDerWaalsContact O-N 3.09Å; P110-F112 PolarHBondContact O-N 3.47Å; P110-D113 PolarHBondContact O-N 2.87Å
111E96.5Very high97.3Very high33 Ų3352.8 Ų52.815%0.15430%0.299CS..G310 helixtrans-59.3-33.8172.4-76.5-71.5173.900111.7T62 R63 A86 I90 L108 L109T62-E111 WeakPolarHBondContact CA-OE1 3.21Å; T62-E111 HydrophobicContact CG2-CG 4.14Å; R63-E111 WeakPolarHBondContact CB-OE1 3.46Å; R63-E111 PolarHBondContact N-OE1 2.83Å; A86-E111 HydrophobicContact CB-CB 4.49Å; A86-E111 HydrophobicContact CB-CG 4.41Å; I90-E111 HydrophobicContact CD1-CB 4.22Å; I90-E111 WeakPolarHBondContact CD1-O 3.47Å; L108-E111 HydrophobicContact CD1-CB 4.46Å; L108-E111 HydrophobicContact CD1-CG 3.87Å; L108-E111 WeakPolarHBondContact O-CB 3.44Å; L108-E111 PolarHBondContact O-N 2.91Å; L109-E111 PolarHBondContact O-N 3.03Å; L109-E111 VanDerWaalsContact O-N 3.15Å
112F97.6Very high97.3Very high0 Ų050.8 Ų50.80%029%0.29CS..G310 helixtrans-96.511.1-174.8-63.9-88.7000113A86 I90 L93 L102 L108 L109 P110 A114 V115 K117 I124 L155A86-F112 HydrophobicContact CB-CE2 4.05Å; A86-F112 HydrophobicContact CB-CZ 4.02Å; I90-F112 HydrophobicContact CD1-CD1 4.12Å; I90-F112 HydrophobicContact CD1-CE1 4.2Å; I90-F112 HydrophobicContact CD1-CG 4.48Å; I90-F112 HydrophobicContact CG1-CD1 3.65Å; I90-F112 HydrophobicContact CG1-CE1 3.58Å; I90-F112 HydrophobicContact CG1-CG 4.47Å; I90-F112 HydrophobicContact CG1-CZ 4.36Å; L93-F112 HydrophobicContact CD1-CD1 4.45Å; L93-F112 HydrophobicContact CD1-CE1 4.42Å; L102-F112 HydrophobicContact CD1-CB 3.66Å; L102-F112 HydrophobicContact CD1-CD2 4.16Å; L102-F112 HydrophobicContact CD1-CG 3.87Å; L102-F112 HydrophobicContact CD2-CD1 4.04Å; L102-F112 HydrophobicContact CD2-CD2 4.43Å; L102-F112 HydrophobicContact CD2-CE1 4.25Å; L102-F112 HydrophobicContact CD2-CG 4.13Å; L108-F112 HydrophobicContact CD2-CE2 3.85Å; L108-F112 HydrophobicContact CG-CE2 4.03Å; L109-F112 PolarHBondContact O-N 3.41Å; P110-F112 PolarHBondContact O-N 3.47Å; F112-A114 VanDerWaalsContact C-N 3.31Å; F112-A114 PolarHBondContact O-N 2.78Å; F112-V115 HydrophobicContact CD1-CG2 4.3Å; F112-V115 WeakPolarHBondContact O-CB 3.3Å; F112-V115 PolarHBondContact O-N 2.91Å; F112-V115 VanDerWaalsContact O-N 3.07Å; F112-K117 PolarHBondContact O-NZ 3.49Å; F112-I124 HydrophobicContact CD1-CD1 4.46Å; F112-I124 HydrophobicContact CE1-CD1 3.64Å; F112-I124 HydrophobicContact CZ-CD1 4.21Å; F112-I124 HydrophobicContact CZ-CG2 4.47Å; F112-L155 HydrophobicContact CZ-CD1 4.44Å
113D96.6Very high97.3Very high118 Ų11849.2 Ų49.263%0.63128%0.282SS*.THydrogen-bonded Turntrans-59.8-41.3-176.5-83.2-10.6000112.3P110 V115P110-D113 PolarHBondContact O-N 2.87Å; D113-V115 PolarHBondContact O-N 3.22Å
114A95.2Very high97.3Very high94 Ų9449 Ų4978%0.77728%0.281SS*.THydrogen-bonded Turntrans-76.1-3179.400000114.3F112F112-A114 VanDerWaalsContact C-N 3.31Å; F112-A114 PolarHBondContact O-N 2.78Å
115V96.8Very high97.3Very high14 Ų1448.8 Ų48.89%0.08528%0.279CS..SBendtrans-92.5132.2179.3178.90000109.7I90 L93 P100 F112 D113 K117I90-V115 HydrophobicContact CG1-CG2 4.13Å; I90-V115 HydrophobicContact CG2-CG2 3.99Å; L93-V115 HydrophobicContact CD1-CG1 3.76Å; L93-V115 HydrophobicContact CD1-CG2 4.38Å; P100-V115 VanDerWaalsContact CD-CG1 3.46Å; P100-V115 HydrophobicContact CG-CG1 3.87Å; F112-V115 HydrophobicContact CD1-CG2 4.3Å; F112-V115 WeakPolarHBondContact O-CB 3.3Å; F112-V115 PolarHBondContact O-N 2.91Å; F112-V115 VanDerWaalsContact O-N 3.07Å; D113-V115 PolarHBondContact O-N 3.22Å; V115-K117 PolarHBondContact O-N 2.98Å; V115-K117 PolarHBondContact O-NZ 3.49Å
116D97.5Very high97.3Very high83 Ų8346 Ų4644%0.44427%0.267SS..  trans-68.1125.4170.6-178.510.7000110.3R99 P100 T118R99-D116 VanDerWaalsContact CA-O 3.28Å; R99-D116 WeakPolarHBondContact CA-O 3.48Å; R99-D116 VanDerWaalsContact CB-O 3.23Å; R99-D116 WeakPolarHBondContact CB-O 3.15Å; R99-D116 VanDerWaalsContact CD-CG 3.46Å; R99-D116 WeakPolarHBondContact CD-OD2 3.23Å; R99-D116 HydrophobicContact CG-CB 4.13Å; R99-D116 WeakPolarHBondContact CG-O 3.29Å; P100-D116 WeakPolarHBondContact CD-O 3.3Å; D116-T118 WeakPolarHBondContact OD1-CB 3.47Å; D116-T118 WeakPolarHBondContact OD1-CG2 3.39Å; D116-T118 PolarHBondContact OD1-N 2.97Å; D116-T118 PolarHBondContact OD1-OG1 3.29Å; D116-T118 PolarHBondContact OD2-OG1 2.66Å
117K97.5Very high97.1Very high84 Ų8441.9 Ų41.937%0.36524%0.244SC..  trans-114.12.2-177.1-66.9169.9-73.3-69.90112P100 L102 F112 V115P100-K117 HydrophobicContact CG-CG 4.35Å; L102-K117 HydrophobicContact CD1-CD 3.84Å; L102-K117 HydrophobicContact CG-CD 4.48Å; F112-K117 PolarHBondContact O-NZ 3.49Å; V115-K117 PolarHBondContact O-N 2.98Å; V115-K117 PolarHBondContact O-NZ 3.49Å
118T96.9Very high97.1Very high91 Ų9141 Ų4156%0.55824%0.236SC*.SBendtrans-72.7142.4-179.864.60000110.3R99 D116R99-T118 WeakPolarHBondContact CD-O 3.49Å; R99-T118 PolarHBondContact NE-O 3.19Å; D116-T118 WeakPolarHBondContact OD1-CB 3.47Å; D116-T118 WeakPolarHBondContact OD1-CG2 3.39Å; D116-T118 PolarHBondContact OD1-N 2.97Å; D116-T118 PolarHBondContact OD1-OG1 3.29Å; D116-T118 PolarHBondContact OD2-OG1 2.66Å
119N96.4Very high96.8Very high131 Ų13142.7 Ų42.770%0.70125%0.25SS*.SBendtrans42.667.4-179.1-172.336.4000112.9R99R99-N119 PolarHBondContact NE-O 2.9Å; R99-N119 PolarHBondContact NH2-O 3.15Å
120P98Very high96.6Very high36 Ų3647.9 Ų47.923%0.23427%0.272CS..  trans-61.7139.3-168.325.9-35.3000111.9R99 H101 V143R99-P120 CarbonylContact O-C 3.58Å; R99-P120 WeakPolarHBondContact O-CA 3.38Å; H101-P120 HydrophobicContact CB-CB 3.82Å; H101-P120 HydrophobicContact CB-CG 4.08Å; P120-V143 HydrophobicContact CB-CG1 4.2Å; P120-V143 HydrophobicContact CG-CG1 4.12Å; P120-V143 HydrophobicContact CG-CG2 4.11Å
121N98.1Very high96.6Very high39 Ų3947.2 Ų47.221%0.20927%0.266CS..  trans-123.110.317967.24000113.3L98 R99 L147L98-N121 WeakPolarHBondContact CA-OD1 3.33Å; R99-N121 PolarHBondContact N-OD1 3.08Å; R99-N121 PolarHBondContact O-N 3.09Å; R99-N121 PolarHBondContact O-OD1 3.39Å; N121-L147 HydrophobicContact CB-CD2 4.27Å; N121-L147 WeakPolarHBondContact O-CD1 3.39Å
122C98.7Very high96.6Very high0 Ų046.7 Ų46.70%026%0.263CS..EExtended strand (participates in β ladder)trans-154.1168.5167.467.40000109.7L93 L98 R99 P100 H101 V151 F153L93-C122 VanDerWaalsContact CD2-SG 3.54Å; L98-C122 HydrophobicContact CD1-CB 4.39Å; R99-C122 PolarHBondContact O-N 2.75Å; P100-C122 CarbonylContact C-O 3.19Å; P100-C122 WeakPolarHBondContact CA-O 3.29Å; P100-C122 VanDerWaalsContact CA-SG 3.57Å; H101-C122 PolarHBondContact N-O 2.93Å; C122-V151 CarbonylContact C-O 3.51Å; C122-V151 VanDerWaalsContact CA-O 3.28Å; C122-V151 WeakPolarHBondContact CA-O 3.46Å; C122-V151 HydrophobicContact CB-CB 3.88Å; C122-V151 HydrophobicContact CB-CG1 4.33Å; C122-V151 WeakPolarHBondContact CB-O 3.48Å; C122-F153 HydrophobicContact CB-CE2 4.33Å
123V98.8Very high96.6Very high0 Ų048.6 Ų48.60%028%0.276CS..EExtended strand (participates in β ladder)trans-116.3137.6169.7172.60000109.5H101 A140 V143 L144 V151 L152 F153H101-V123 HydrophobicContact CB-CG2 4.23Å; H101-V123 WeakPolarHBondContact O-CA 3.13Å; V123-A140 HydrophobicContact CG1-CB 4.06Å; V123-A140 HydrophobicContact CG2-CB 4.37Å; V123-V143 HydrophobicContact CG2-CB 4.11Å; V123-V143 HydrophobicContact CG2-CG1 3.95Å; V123-L144 HydrophobicContact CB-CD1 4.33Å; V123-L144 HydrophobicContact CB-CD2 4.01Å; V123-L144 HydrophobicContact CB-CG 4.16Å; V123-L144 HydrophobicContact CG2-CD1 4.13Å; V123-L144 HydrophobicContact CG2-CD2 3.82Å; V123-L144 HydrophobicContact CG2-CG 3.61Å; V123-V151 PolarHBondContact N-O 3.08Å; V123-L152 HydrophobicContact CB-CD1 3.91Å; V123-L152 HydrophobicContact CG1-CD1 3.73Å; V123-F153 PolarHBondContact O-N 2.75Å
124I98.6Very high96.6Very high0 Ų052 Ų520%028%0.282CS..EExtended strand (participates in β ladder)trans-109.1127.3163.1-65.4-178000108.1A89 L93 P100 H101 L102 L103 V104 F112 F153 L155A89-I124 HydrophobicContact CB-CD1 4.1Å; L93-I124 HydrophobicContact CD1-CD1 3.65Å; L93-I124 HydrophobicContact CD2-CD1 4.14Å; L93-I124 HydrophobicContact CG-CD1 4.07Å; P100-I124 HydrophobicContact CB-CD1 4.02Å; P100-I124 HydrophobicContact CB-CG1 3.98Å; P100-I124 HydrophobicContact CG-CD1 4.44Å; H101-I124 PolarHBondContact O-N 3.19Å; L102-I124 HydrophobicContact CD2-CB 3.91Å; L102-I124 HydrophobicContact CD2-CD1 4.22Å; L102-I124 HydrophobicContact CD2-CG1 4.42Å; L102-I124 HydrophobicContact CD2-CG2 4.44Å; L103-I124 PolarHBondContact N-O 3.08Å; V104-I124 HydrophobicContact CG1-CG2 4.26Å; F112-I124 HydrophobicContact CD1-CD1 4.46Å; F112-I124 HydrophobicContact CE1-CD1 3.64Å; F112-I124 HydrophobicContact CZ-CD1 4.21Å; F112-I124 HydrophobicContact CZ-CG2 4.47Å; I124-F153 WeakPolarHBondContact CA-O 3.37Å; I124-F153 HydrophobicContact CG1-CB 4.1Å; I124-F153 HydrophobicContact CG1-CD2 4.22Å; I124-L155 HydrophobicContact CG2-CD1 3.96Å; I124-L155 HydrophobicContact CG2-CD2 3.87Å; I124-L155 HydrophobicContact CG2-CG 3.76Å
125I98.4Very high96.8Very high0 Ų053.4 Ų53.40%027%0.272CS..EExtended strand (participates in β ladder)trans-114.7126171.9-163.7178.9000110.6L103 F132 L152 F153 S154 L155 V171 M175 L178L103-I125 HydrophobicContact CB-CG1 4.2Å; L103-I125 HydrophobicContact CD2-CD1 3.9Å; L103-I125 HydrophobicContact CD2-CG1 4Å; L103-I125 HydrophobicContact CG-CD1 4.46Å; L103-I125 HydrophobicContact CG-CG1 4.03Å; L103-I125 WeakPolarHBondContact O-CA 3.46Å; I125-F132 HydrophobicContact CD1-CE1 3.89Å; I125-F132 HydrophobicContact CG1-CE1 3.93Å; I125-L152 HydrophobicContact CB-CD1 4.46Å; I125-L152 HydrophobicContact CG2-CD1 4.03Å; I125-F153 PolarHBondContact N-O 2.92Å; I125-S154 WeakPolarHBondContact CG2-OG 3.47Å; I125-S154 CarbonylContact O-C 3.51Å; I125-S154 VanDerWaalsContact O-CA 3.29Å; I125-S154 WeakPolarHBondContact O-CA 3.39Å; I125-S154 PolarHBondContact O-OG 2.94Å; I125-L155 PolarHBondContact O-N 3.06Å; I125-V171 HydrophobicContact CB-CG2 4.42Å; I125-V171 HydrophobicContact CD1-CG2 4.27Å; I125-V171 HydrophobicContact CG1-CG2 3.88Å; I125-V171 HydrophobicContact CG2-CG2 4.07Å; I125-M175 HydrophobicContact CG2-CB 4.18Å; I125-M175 HydrophobicContact CG2-CG 4.47Å; I125-L178 HydrophobicContact CD1-CD1 4.08Å
126G96.4Very high96.9Very high0 Ų054.6 Ų54.60%028%0.278CS..  trans-125.7177.1171.300000109.3L103 A128 F132L103-G126 PolarHBondContact O-N 2.85Å; G126-A128 PolarHBondContact O-N 3.37Å; G126-F132 WeakPolarHBondContact O-CE1 3.41Å; G126-F132 WeakPolarHBondContact O-CZ 3.45Å
127D93.3Very high96.9Very high11 Ų1152.2 Ų52.26%0.05927%0.265CS..  trans-57.7115.9170.3-171.9-3.1000109.2T59 Q60 H105 A129T59-D127 WeakPolarHBondContact OG1-CB 3.5Å; T59-D127 PolarHBondContact OG1-N 2.86Å; Q60-D127 HydrophobicContact CG-CB 4.23Å; Q60-D127 PolarHBondContact NE2-OD2 2.87Å; H105-D127 WeakPolarHBondContact CB-O 3.49Å; H105-D127 PolarHBondContact N-O 2.91Å; H105-D127 VanDerWaalsContact N-O 3.17Å; D127-A129 PolarHBondContact OD1-N 3.03Å
128A95.2Very high97Very high0 Ų049.9 Ų49.90%026%0.257CS..  trans-111.9-0.2-174.800000111.7L103 G126 E130 N131 F132L103-A128 HydrophobicContact CD1-CB 4.28Å; G126-A128 PolarHBondContact O-N 3.37Å; A128-E130 PolarHBondContact O-N 3.38Å; A128-N131 HydrophobicContact CB-CB 3.77Å; A128-N131 WeakPolarHBondContact O-CA 3.34Å; A128-N131 WeakPolarHBondContact O-CB 3.3Å; A128-N131 PolarHBondContact O-N 3.49Å; A128-F132 HydrophobicContact CB-CD1 3.8Å; A128-F132 HydrophobicContact CB-CD2 4.2Å; A128-F132 HydrophobicContact CB-CE1 3.65Å; A128-F132 HydrophobicContact CB-CE2 4.11Å; A128-F132 HydrophobicContact CB-CG 4.08Å; A128-F132 HydrophobicContact CB-CZ 3.84Å; A128-F132 VanDerWaalsContact N-CZ 3.27Å
129A92.6Very high97.1Very high37 Ų3749 Ų4931%0.30625%0.247SC..G310 helixtrans45.8-121.4-176.400000111.9D127 N131 F132D127-A129 PolarHBondContact OD1-N 3.03Å; A129-N131 PolarHBondContact O-N 2.85Å; A129-N131 VanDerWaalsContact O-N 3.13Å; A129-F132 WeakPolarHBondContact O-CB 3.28Å; A129-F132 WeakPolarHBondContact O-CD2 3.46Å; A129-F132 PolarHBondContact O-N 3.36Å
130E92.9Very high97.2Very high177 Ų17742.8 Ų42.883%0.82721%0.213SC*.G310 helixtrans-61.1-20.3179-59.5-57.7141.700113.7A128 F132A128-E130 PolarHBondContact O-N 3.38Å; E130-F132 PolarHBondContact O-N 3.34Å
131N96.3Very high97.2Very high44 Ų4443.8 Ų43.824%0.23521%0.214CC..G310 helixtrans-71.3-8.5173.9-69.1-19.9000112.6V104 D106 A128 A129 S133 N136V104-N131 PolarHBondContact O-ND2 2.68Å; D106-N131 PolarHBondContact OD1-ND2 2.91Å; A128-N131 HydrophobicContact CB-CB 3.77Å; A128-N131 WeakPolarHBondContact O-CA 3.34Å; A128-N131 WeakPolarHBondContact O-CB 3.3Å; A128-N131 PolarHBondContact O-N 3.49Å; A129-N131 PolarHBondContact O-N 2.85Å; A129-N131 VanDerWaalsContact O-N 3.13Å; N131-S133 PolarHBondContact O-N 2.99Å; N131-N136 VanDerWaalsContact O-CB 3.28Å; N131-N136 WeakPolarHBondContact O-CB 3.36Å; N131-N136 PolarHBondContact O-ND2 3.41Å
132F97.1Very high97.2Very high21 Ų2149.8 Ų49.89%0.09223%0.233CC..  trans-73.653.2167-68.5-49.2000112.7L103 I125 G126 A128 A129 E130 V171 Y174L103-F132 HydrophobicContact CD2-CD1 4.41Å; L103-F132 HydrophobicContact CG-CD1 4.43Å; L103-F132 HydrophobicContact CG-CE1 4.39Å; I125-F132 HydrophobicContact CD1-CE1 3.89Å; I125-F132 HydrophobicContact CG1-CE1 3.93Å; G126-F132 WeakPolarHBondContact O-CE1 3.41Å; G126-F132 WeakPolarHBondContact O-CZ 3.45Å; A128-F132 HydrophobicContact CB-CD1 3.8Å; A128-F132 HydrophobicContact CB-CD2 4.2Å; A128-F132 HydrophobicContact CB-CE1 3.65Å; A128-F132 HydrophobicContact CB-CE2 4.11Å; A128-F132 HydrophobicContact CB-CG 4.08Å; A128-F132 HydrophobicContact CB-CZ 3.84Å; A128-F132 VanDerWaalsContact N-CZ 3.27Å; A129-F132 WeakPolarHBondContact O-CB 3.28Å; A129-F132 WeakPolarHBondContact O-CD2 3.46Å; A129-F132 PolarHBondContact O-N 3.36Å; E130-F132 PolarHBondContact O-N 3.34Å; F132-V171 HydrophobicContact CZ-CB 4.22Å; F132-V171 HydrophobicContact CZ-CG2 4.14Å; F132-Y174 HydrophobicContact CB-CD1 3.93Å; F132-Y174 HydrophobicContact CB-CD2 4.33Å; F132-Y174 HydrophobicContact CB-CE1 3.54Å; F132-Y174 HydrophobicContact CB-CE2 3.98Å; F132-Y174 HydrophobicContact CB-CG 4.29Å; F132-Y174 AromaticContact CD1-CD1 3.98Å; F132-Y174 HydrophobicContact CD1-CD1 3.98Å; F132-Y174 AromaticContact CD1-CD2 3.77Å; F132-Y174 HydrophobicContact CD1-CD2 3.77Å; F132-Y174 HydrophobicContact CD1-CE1 4.42Å; F132-Y174 HydrophobicContact CD1-CE2 4.22Å; F132-Y174 AromaticContact CD1-CG 3.61Å; F132-Y174 HydrophobicContact CD1-CG 3.61Å; F132-Y174 AromaticContact CD2-CD2 3.5Å; F132-Y174 HydrophobicContact CD2-CD2 3.5Å; F132-Y174 HydrophobicContact CD2-CE1 4.39Å; F132-Y174 AromaticContact CD2-CE2 3.24Å; F132-Y174 HydrophobicContact CD2-CE2 3.24Å; F132-Y174 HydrophobicContact CD2-CG 4.16Å; F132-Y174 AromaticContact CD2-CZ 3.72Å; F132-Y174 AromaticContact CE1-CD2 3.8Å; F132-Y174 HydrophobicContact CE1-CD2 3.8Å; F132-Y174 AromaticContact CE1-CG 3.84Å; F132-Y174 HydrophobicContact CE1-CG 3.84Å; F132-Y174 AromaticContact CE2-CD2 3.49Å; F132-Y174 HydrophobicContact CE2-CD2 3.49Å; F132-Y174 VanDerWaalsContact CE2-CD2 3.49Å; F132-Y174 AromaticContact CE2-CE2 3.58Å; F132-Y174 HydrophobicContact CE2-CE2 3.58Å; F132-Y174 HydrophobicContact CE2-CG 4.33Å; F132-Y174 AromaticContact CG-CD1 3.95Å; F132-Y174 HydrophobicContact CG-CD1 3.95Å; F132-Y174 AromaticContact CG-CD2 3.62Å; F132-Y174 HydrophobicContact CG-CD2 3.62Å; F132-Y174 AromaticContact CG-CE1 3.92Å; F132-Y174 HydrophobicContact CG-CE1 3.92Å; F132-Y174 AromaticContact CG-CE2 3.58Å; F132-Y174 HydrophobicContact CG-CE2 3.58Å; F132-Y174 AromaticContact CG-CG 3.78Å; F132-Y174 HydrophobicContact CG-CG 3.78Å; F132-Y174 AromaticContact CG-CZ 3.71Å; F132-Y174 AromaticContact CZ-CD2 3.63Å; F132-Y174 HydrophobicContact CZ-CD2 3.63Å; F132-Y174 HydrophobicContact CZ-CE2 4.21Å; F132-Y174 HydrophobicContact CZ-CG 4.16Å
133S97.2Very high97.2Very high40 Ų4051.1 Ų51.128%0.2824%0.242SC..  trans-87.6158.6175.674.60000111.3N131 Q135 N136 L137N131-S133 PolarHBondContact O-N 2.99Å; S133-Q135 PolarHBondContact O-N 2.8Å; S133-N136 PolarHBondContact O-N 3.41Å; S133-N136 VanDerWaalsContact OG-CG 3.29Å; S133-N136 PolarHBondContact OG-N 2.88Å; S133-N136 PolarHBondContact OG-ND2 3.27Å; S133-L137 WeakPolarHBondContact O-CB 3.29Å; S133-L137 PolarHBondContact O-N 3.05Å
134Y97.8Very high97.2Very high189 Ų18951.1 Ų51.174%0.74124%0.242SC*.Hα-helixtrans-53.6-42.2171.5173.7-94.1000111.6N138Y134-N138 HydrophobicContact CE1-CB 4.4Å; Y134-N138 WeakPolarHBondContact O-CB 3.49Å; Y134-N138 PolarHBondContact O-N 3.48Å
135Q98.4Very high97.2Very high124 Ų12455.8 Ų55.858%0.57927%0.266SS*.Hα-helixtrans-59.5-53.5-179.4179.6-179.2-2000111S133 N138 E139S133-Q135 PolarHBondContact O-N 2.8Å; Q135-N138 PolarHBondContact O-N 2.94Å; Q135-E139 PolarHBondContact NE2-OE1 3.11Å; Q135-E139 VanDerWaalsContact NE2-OE1 3.16Å; Q135-E139 WeakPolarHBondContact O-CG 3.45Å; Q135-E139 PolarHBondContact O-N 3.37Å
136N98.4Very high97.1Very high40 Ų4058.9 Ų58.921%0.21430%0.298CS..Hα-helixtrans-68.8-38.4-174.8-64.3-13000111.9L103 N131 S133 N138 E139 A140L103-N136 HydrophobicContact CD1-CB 3.73Å; N131-N136 VanDerWaalsContact O-CB 3.28Å; N131-N136 WeakPolarHBondContact O-CB 3.36Å; N131-N136 PolarHBondContact O-ND2 3.41Å; S133-N136 PolarHBondContact O-N 3.41Å; S133-N136 VanDerWaalsContact OG-CG 3.29Å; S133-N136 PolarHBondContact OG-N 2.88Å; S133-N136 PolarHBondContact OG-ND2 3.27Å; N136-N138 VanDerWaalsContact C-N 3.32Å; N136-N138 PolarHBondContact O-N 3.45Å; N136-E139 PolarHBondContact O-N 2.9Å; N136-A140 PolarHBondContact O-N 3.39Å
137L98.4Very high97.2Very high33 Ų3361 Ų6117%0.17331%0.309CS..Hα-helixtrans-61.7-41.9172.2-77.4164.2000111.8L103 S133 E139 A140 F141 Y174 L178L103-L137 HydrophobicContact CD2-CD2 3.73Å; L103-L137 HydrophobicContact CD2-CG 4.26Å; S133-L137 WeakPolarHBondContact O-CB 3.29Å; S133-L137 PolarHBondContact O-N 3.05Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-E139 PolarHBondContact O-N 3.19Å; L137-A140 PolarHBondContact O-N 3.28Å; L137-F141 WeakPolarHBondContact O-CB 3.37Å; L137-F141 PolarHBondContact O-N 3.48Å; L137-Y174 HydrophobicContact CD1-CD1 3.86Å; L137-Y174 HydrophobicContact CD1-CE1 4.39Å; L137-Y174 HydrophobicContact CD2-CD1 4.37Å; L137-L178 HydrophobicContact CD2-CD2 4.43Å; L137-L178 HydrophobicContact CD2-CG 4.32Å
138N98.6Very high97.3Very high34 Ų3469.8 Ų69.818%0.18235%0.349CS..Hα-helixtrans-69.4-30.8179.2-171.751.1000112.1Y134 Q135 N136 R142Y134-N138 HydrophobicContact CE1-CB 4.4Å; Y134-N138 WeakPolarHBondContact O-CB 3.49Å; Y134-N138 PolarHBondContact O-N 3.48Å; Q135-N138 PolarHBondContact O-N 2.94Å; N136-N138 VanDerWaalsContact C-N 3.32Å; N136-N138 PolarHBondContact O-N 3.45Å; N138-R142 PolarHBondContact ND2-NH2 2.74Å; N138-R142 WeakPolarHBondContact O-CB 3.46Å; N138-R142 WeakPolarHBondContact O-CG 3.39Å; N138-R142 PolarHBondContact O-N 3.3Å
139E98.6Very high97.2Very high74 Ų7478.1 Ų78.135%0.34639%0.386SS..Hα-helixtrans-66.3-49.1170.7-73176.3-162.800111.6Q135 N136 L137 F141 R142 V143Q135-E139 PolarHBondContact NE2-OE1 3.11Å; Q135-E139 VanDerWaalsContact NE2-OE1 3.16Å; Q135-E139 WeakPolarHBondContact O-CG 3.45Å; Q135-E139 PolarHBondContact O-N 3.37Å; N136-E139 PolarHBondContact O-N 2.9Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-E139 PolarHBondContact O-N 3.19Å; E139-F141 VanDerWaalsContact C-N 3.33Å; E139-F141 PolarHBondContact O-N 2.96Å; E139-R142 PolarHBondContact O-N 3.19Å; E139-V143 PolarHBondContact O-N 2.76Å
140A98.7Very high97.4Very high0 Ų078.8 Ų78.80%039%0.387CS..Hα-helixtrans-58.4-43.7174.200000112.2L103 V123 N136 L137 V143 L144 L178L103-A140 HydrophobicContact CD2-CB 4.24Å; V123-A140 HydrophobicContact CG1-CB 4.06Å; V123-A140 HydrophobicContact CG2-CB 4.37Å; N136-A140 PolarHBondContact O-N 3.39Å; L137-A140 PolarHBondContact O-N 3.28Å; A140-V143 PolarHBondContact O-N 3.02Å; A140-L144 WeakPolarHBondContact O-CG 3.27Å; A140-L144 PolarHBondContact O-N 3.11Å; A140-L178 HydrophobicContact CB-CD1 4.11Å; A140-L178 HydrophobicContact CB-CD2 4.37Å
141F98.7Very high97.7Very high57 Ų5771.8 Ų71.825%0.2536%0.356CS..Hα-helixtrans-57.9-47.7173.5164.2-106.5000112.1L137 E139 V143 L144 I145 L178 A181 C182L137-F141 WeakPolarHBondContact O-CB 3.37Å; L137-F141 PolarHBondContact O-N 3.48Å; E139-F141 VanDerWaalsContact C-N 3.33Å; E139-F141 PolarHBondContact O-N 2.96Å; F141-V143 VanDerWaalsContact C-N 3.28Å; F141-V143 PolarHBondContact O-N 3.38Å; F141-L144 PolarHBondContact O-N 2.78Å; F141-L144 VanDerWaalsContact O-N 3.14Å; F141-I145 HydrophobicContact CD2-CB 4.43Å; F141-I145 HydrophobicContact CE1-CG2 4.18Å; F141-I145 HydrophobicContact CE2-CB 3.89Å; F141-I145 HydrophobicContact CE2-CD1 4.22Å; F141-I145 HydrophobicContact CE2-CG1 4.09Å; F141-I145 HydrophobicContact CE2-CG2 4.28Å; F141-I145 HydrophobicContact CZ-CB 4.03Å; F141-I145 HydrophobicContact CZ-CG1 4.07Å; F141-I145 HydrophobicContact CZ-CG2 3.98Å; F141-I145 WeakPolarHBondContact O-CG2 3.25Å; F141-I145 PolarHBondContact O-N 2.74Å; F141-L178 HydrophobicContact CB-CD2 3.97Å; F141-A181 HydrophobicContact CD2-CB 3.72Å; F141-A181 HydrophobicContact CE2-CB 3.9Å; F141-C182 VanDerWaalsContact CD2-SG 3.54Å
142R98.6Very high97.8Very high164 Ų16469.8 Ų69.862%0.61935%0.345SS*.Hα-helixtrans-61.1-36.9179.2-79.5170175.6173.5-1.3112.6N138 E139 G146N138-R142 PolarHBondContact ND2-NH2 2.74Å; N138-R142 WeakPolarHBondContact O-CB 3.46Å; N138-R142 WeakPolarHBondContact O-CG 3.39Å; N138-R142 PolarHBondContact O-N 3.3Å; E139-R142 PolarHBondContact O-N 3.19Å; R142-G146 PolarHBondContact O-N 2.83Å
143V98.6Very high97.8Very high28 Ų2868.9 Ų68.917%0.1734%0.341CS..Hα-helixtrans-61.9-54.2172173.40000109.5H101 P120 V123 E139 A140 F141 G146 L147H101-V143 HydrophobicContact CB-CB 4.48Å; H101-V143 HydrophobicContact CB-CG1 4.23Å; H101-V143 HydrophobicContact CB-CG2 4.03Å; P120-V143 HydrophobicContact CB-CG1 4.2Å; P120-V143 HydrophobicContact CG-CG1 4.12Å; P120-V143 HydrophobicContact CG-CG2 4.11Å; V123-V143 HydrophobicContact CG2-CB 4.11Å; V123-V143 HydrophobicContact CG2-CG1 3.95Å; E139-V143 PolarHBondContact O-N 2.76Å; A140-V143 PolarHBondContact O-N 3.02Å; F141-V143 VanDerWaalsContact C-N 3.28Å; F141-V143 PolarHBondContact O-N 3.38Å; V143-G146 PolarHBondContact O-N 3.06Å; V143-L147 HydrophobicContact CG1-CD1 4.22Å; V143-L147 VanDerWaalsContact O-CG 3.28Å; V143-L147 WeakPolarHBondContact O-CG 3.4Å
144L98.6Very high97.8Very high0 Ų067 Ų670%033%0.328CS..Hα-helixtrans-59.6-52.7-177-69.6167000112.6V123 A140 F141 G146 L147 P150 V151 L152 L178 C182 L184V123-L144 HydrophobicContact CB-CD1 4.33Å; V123-L144 HydrophobicContact CB-CD2 4.01Å; V123-L144 HydrophobicContact CB-CG 4.16Å; V123-L144 HydrophobicContact CG2-CD1 4.13Å; V123-L144 HydrophobicContact CG2-CD2 3.82Å; V123-L144 HydrophobicContact CG2-CG 3.61Å; A140-L144 WeakPolarHBondContact O-CG 3.27Å; A140-L144 PolarHBondContact O-N 3.11Å; F141-L144 PolarHBondContact O-N 2.78Å; F141-L144 VanDerWaalsContact O-N 3.14Å; L144-G146 PolarHBondContact O-N 2.99Å; L144-L147 PolarHBondContact O-N 3.18Å; L144-L147 VanDerWaalsContact O-N 3.11Å; L144-P150 HydrophobicContact CB-CB 4.41Å; L144-P150 HydrophobicContact CD2-CB 4.13Å; L144-P150 WeakPolarHBondContact O-CB 3.48Å; L144-V151 WeakPolarHBondContact CD2-O 3.3Å; L144-L152 HydrophobicContact CD1-CB 4.44Å; L144-L152 HydrophobicContact CD1-CD1 4.35Å; L144-L152 HydrophobicContact CD1-CD2 4.45Å; L144-L152 HydrophobicContact CD2-CB 4.17Å; L144-L178 HydrophobicContact CD1-CB 4.24Å; L144-L178 HydrophobicContact CD1-CD1 4.34Å; L144-C182 HydrophobicContact CB-CB 4.39Å; L144-C182 VanDerWaalsContact CB-SG 3.55Å; L144-L184 HydrophobicContact CD1-CD2 4.44Å; L144-L184 HydrophobicContact CD2-CD2 4.12Å
145I98Very high97.7Very high99 Ų9958 Ų5851%0.50829%0.293SS..Hα-helixtrans-67.1-21.3-174.5-157.367000113.1F141F141-I145 HydrophobicContact CD2-CB 4.43Å; F141-I145 HydrophobicContact CE1-CG2 4.18Å; F141-I145 HydrophobicContact CE2-CB 3.89Å; F141-I145 HydrophobicContact CE2-CD1 4.22Å; F141-I145 HydrophobicContact CE2-CG1 4.09Å; F141-I145 HydrophobicContact CE2-CG2 4.28Å; F141-I145 HydrophobicContact CZ-CB 4.03Å; F141-I145 HydrophobicContact CZ-CG1 4.07Å; F141-I145 HydrophobicContact CZ-CG2 3.98Å; F141-I145 WeakPolarHBondContact O-CG2 3.25Å; F141-I145 PolarHBondContact O-N 2.74Å
146G97.4Very high97.4Very high65 Ų6552.3 Ų52.367%0.6727%0.268SS*.THydrogen-bonded Turntrans-83.3-9.517700000114.5R142 V143 L144R142-G146 PolarHBondContact O-N 2.83Å; V143-G146 PolarHBondContact O-N 3.06Å; L144-G146 PolarHBondContact O-N 2.99Å
147L97.5Very high97Very high45 Ų4553.9 Ų53.924%0.23627%0.274CS..  trans-90.8138.8-178.7-65.9166.9000111.2N121 V143 L144 K149 P150N121-L147 HydrophobicContact CB-CD2 4.27Å; N121-L147 WeakPolarHBondContact O-CD1 3.39Å; V143-L147 HydrophobicContact CG1-CD1 4.22Å; V143-L147 VanDerWaalsContact O-CG 3.28Å; V143-L147 WeakPolarHBondContact O-CG 3.4Å; L144-L147 PolarHBondContact O-N 3.18Å; L144-L147 VanDerWaalsContact O-N 3.11Å; L147-K149 PolarHBondContact O-N 2.82Å; L147-P150 HydrophobicContact CB-CB 4.38Å
148E94.8Very high96.4Very high195 Ų19552.8 Ų52.891%0.91127%0.27SS*.SBendtrans-63.9-31.2171.7-65.3-175.7172.200112.4
149K94.7Very high95.7Very high175 Ų17560.6 Ų60.676%0.76130%0.297SS*.SBendtrans-132.580.8178.8-65.2-177.3-176177.10108.9L147L147-K149 PolarHBondContact O-N 2.82Å
150P96.8Very high95Very high50 Ų5063.7 Ų63.733%0.32531%0.307SS..  trans-68.5135.3-177.228.7-34.6000110.7L144 L147 L184L144-P150 HydrophobicContact CB-CB 4.41Å; L144-P150 HydrophobicContact CD2-CB 4.13Å; L144-P150 WeakPolarHBondContact O-CB 3.48Å; L147-P150 HydrophobicContact CB-CB 4.38Å; P150-L184 HydrophobicContact CB-CD2 3.68Å; P150-L184 HydrophobicContact CG-CD2 3.89Å
151V98.1Very high94Very high31 Ų3165.9 Ų65.919%0.18832%0.315CS..  trans-124.6121.8174.4-176.10000108.1L98 C122 V123 L144 F153L98-V151 HydrophobicContact CD1-CG1 4.45Å; C122-V151 CarbonylContact C-O 3.51Å; C122-V151 VanDerWaalsContact CA-O 3.28Å; C122-V151 WeakPolarHBondContact CA-O 3.46Å; C122-V151 HydrophobicContact CB-CB 3.88Å; C122-V151 HydrophobicContact CB-CG1 4.33Å; C122-V151 WeakPolarHBondContact CB-O 3.48Å; V123-V151 PolarHBondContact N-O 3.08Å; L144-V151 WeakPolarHBondContact CD2-O 3.3Å; V151-F153 HydrophobicContact CG1-CD2 4.05Å; V151-F153 HydrophobicContact CG1-CE1 4.18Å; V151-F153 HydrophobicContact CG1-CE2 3.44Å; V151-F153 VanDerWaalsContact CG1-CE2 3.44Å; V151-F153 HydrophobicContact CG1-CZ 3.51Å
152L98.6Very high92.8Very high2 Ų269.9 Ų69.91%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-114.7120174.1174.759.3000108.4V123 I125 L144 M175 L178 E179 L184 A186 E187V123-L152 HydrophobicContact CB-CD1 3.91Å; V123-L152 HydrophobicContact CG1-CD1 3.73Å; I125-L152 HydrophobicContact CB-CD1 4.46Å; I125-L152 HydrophobicContact CG2-CD1 4.03Å; L144-L152 HydrophobicContact CD1-CB 4.44Å; L144-L152 HydrophobicContact CD1-CD1 4.35Å; L144-L152 HydrophobicContact CD1-CD2 4.45Å; L144-L152 HydrophobicContact CD2-CB 4.17Å; L152-M175 HydrophobicContact CD2-CG 4.47Å; L152-L178 HydrophobicContact CD1-CD1 4.23Å; L152-L178 HydrophobicContact CD2-CB 3.85Å; L152-L178 HydrophobicContact CD2-CD1 4.48Å; L152-E179 HydrophobicContact CD2-CG 4.17Å; L152-L184 HydrophobicContact CB-CD1 3.59Å; L152-L184 HydrophobicContact CD2-CD1 3.8Å; L152-L184 HydrophobicContact CG-CD1 4.32Å; L152-A186 HydrophobicContact CB-CB 4.39Å; L152-A186 HydrophobicContact CD2-CB 3.85Å; L152-A186 HydrophobicContact CG-CB 3.83Å; L152-A186 CarbonylContact O-C 3.49Å; L152-A186 VanDerWaalsContact O-CA 3.28Å; L152-A186 WeakPolarHBondContact O-CA 3.18Å; L152-E187 PolarHBondContact O-N 3.34Å
153F98Very high91.7Very high2 Ų264.9 Ų64.91%0.00932%0.316CS..EExtended strand (participates in β ladder)trans-101.9140.1167.6-62.3-75.6000109.6V92 L93 L98 C122 V123 I124 I125 V151 E187 I189V92-F153 HydrophobicContact CG1-CE1 3.71Å; V92-F153 HydrophobicContact CG1-CZ 3.62Å; L93-F153 HydrophobicContact CD2-CE2 4.27Å; L98-F153 HydrophobicContact CD1-CE2 3.6Å; L98-F153 HydrophobicContact CD1-CZ 3.81Å; C122-F153 HydrophobicContact CB-CE2 4.33Å; V123-F153 PolarHBondContact O-N 2.75Å; I124-F153 WeakPolarHBondContact CA-O 3.37Å; I124-F153 HydrophobicContact CG1-CB 4.1Å; I124-F153 HydrophobicContact CG1-CD2 4.22Å; I125-F153 PolarHBondContact N-O 2.92Å; V151-F153 HydrophobicContact CG1-CD2 4.05Å; V151-F153 HydrophobicContact CG1-CE1 4.18Å; V151-F153 HydrophobicContact CG1-CE2 3.44Å; V151-F153 VanDerWaalsContact CG1-CE2 3.44Å; V151-F153 HydrophobicContact CG1-CZ 3.51Å; F153-E187 CarbonylContact C-O 3.5Å; F153-E187 VanDerWaalsContact CA-O 3.29Å; F153-E187 WeakPolarHBondContact CA-O 3.43Å; F153-E187 HydrophobicContact CD1-CB 3.6Å; F153-E187 HydrophobicContact CE1-CB 3.86Å; F153-E187 HydrophobicContact CE1-CG 4.34Å; F153-E187 WeakPolarHBondContact CE1-OE2 3.39Å; F153-I189 HydrophobicContact CB-CG1 4.36Å; F153-I189 HydrophobicContact CD1-CD1 4.02Å; F153-I189 HydrophobicContact CD1-CG1 4.11Å
154S97.1Very high90.4Very high0 Ų068.1 Ų68.10%034%0.336CS..EExtended strand (participates in β ladder)trans-118.1132.7169.7-163.80000110.8I125 G156 M175 E187 V188 I189I125-S154 WeakPolarHBondContact CG2-OG 3.47Å; I125-S154 CarbonylContact O-C 3.51Å; I125-S154 VanDerWaalsContact O-CA 3.29Å; I125-S154 WeakPolarHBondContact O-CA 3.39Å; I125-S154 PolarHBondContact O-OG 2.94Å; S154-G156 WeakPolarHBondContact CB-O 3.16Å; S154-G156 PolarHBondContact O-N 3.29Å; S154-G156 PolarHBondContact OG-O 3.42Å; S154-M175 WeakPolarHBondContact CB-SD 3.47Å; S154-E187 PolarHBondContact N-O 3.38Å; S154-V188 CarbonylContact O-C 3.57Å; S154-V188 WeakPolarHBondContact O-CA 3.3Å; S154-I189 PolarHBondContact O-N 2.97Å
155L95.6Very high89.5Confident0 Ų073.8 Ų73.80%037%0.367CS..SBendtrans-79.94.6179.7-56.6-176.1000113.2T59 P85 A86 A89 V104 L108 F112 I124 I125 I189T59-L155 HydrophobicContact CG2-CB 3.44Å; T59-L155 VanDerWaalsContact CG2-CB 3.44Å; T59-L155 HydrophobicContact CG2-CD1 4.06Å; T59-L155 HydrophobicContact CG2-CG 4.41Å; P85-L155 HydrophobicContact CB-CB 4.07Å; P85-L155 HydrophobicContact CB-CD2 4.32Å; P85-L155 WeakPolarHBondContact CB-O 3.41Å; P85-L155 HydrophobicContact CG-CB 4Å; P85-L155 WeakPolarHBondContact CG-O 3.22Å; A86-L155 HydrophobicContact CB-CD1 4.47Å; A89-L155 HydrophobicContact CB-CD2 3.56Å; V104-L155 HydrophobicContact CG1-CD1 4.3Å; L108-L155 HydrophobicContact CD2-CD1 3.64Å; F112-L155 HydrophobicContact CZ-CD1 4.44Å; I124-L155 HydrophobicContact CG2-CD1 3.96Å; I124-L155 HydrophobicContact CG2-CD2 3.87Å; I124-L155 HydrophobicContact CG2-CG 3.76Å; I125-L155 PolarHBondContact O-N 3.06Å; L155-I189 CarbonylContact C-O 3.58Å; L155-I189 WeakPolarHBondContact CA-O 3.44Å; L155-I189 HydrophobicContact CD2-CB 4.34Å
156G91.1Very high88.5Confident5 Ų570.5 Ų70.55%0.05236%0.357CS..  trans-172.5176.2176.100000110.2S154S154-G156 WeakPolarHBondContact CB-O 3.16Å; S154-G156 PolarHBondContact O-N 3.29Å; S154-G156 PolarHBondContact OG-O 3.42Å
157Q90.1Very high87.8Confident73 Ų7373.3 Ų73.334%0.34136%0.356SS..  trans-14320175.762.7165.99.700112.5M175 V188 N220Q157-M175 HydrophobicContact CB-CE 4.5Å; Q157-V188 HydrophobicContact CB-CG1 4.11Å; Q157-V188 HydrophobicContact CB-CG2 4.07Å; Q157-V188 HydrophobicContact CG-CG1 4.09Å; Q157-N220 PolarHBondContact NE2-OD1 3.2Å
158G85.9Confident87.2Confident10 Ų1074.2 Ų74.210%0.10336%0.358CS..  trans-63.1148.8178.400000110.8D170 G172G158-D170 VanDerWaalsContact CA-OD2 3.23Å; G158-D170 WeakPolarHBondContact CA-OD2 3.41Å; G158-D170 WeakPolarHBondContact O-CB 3.41Å; G158-G172 VanDerWaalsContact O-CA 3.22Å; G158-G172 WeakPolarHBondContact O-CA 3.09Å; G158-G172 PolarHBondContact O-N 3.22Å
159R84.7Confident86.9Confident197 Ų19769.7 Ų69.774%0.74334%0.34SS*.SBendtrans-86.3-39.6178.2-64.2-177.5179.51110.2111.4D170 V173R159-D170 PolarHBondContact O-N 2.77Å; R159-V173 WeakPolarHBondContact O-CG2 3.37Å
160Y83.4Confident86.7Confident140 Ų14062.5 Ų62.555%0.54931%0.31SS..EExtended strand (participates in β ladder)trans-160.6161.1-179.353.7-99.5000109.3L167 K168Y160-L167 HydrophobicContact CD2-CD2 4.13Å; Y160-K168 CarbonylContact C-O 3.51Å; Y160-K168 WeakPolarHBondContact CA-O 3.43Å; Y160-K168 WeakPolarHBondContact CB-O 3.44Å
161Y78.8Confident86.6Confident45 Ų4560.2 Ų60.218%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-135.1171.1169.367.9-80.5000109.6E163 L167 K168 D170Y161-E163 HydrophobicContact CD2-CG 4.03Å; Y161-E163 HydrophobicContact CE2-CG 3.45Å; Y161-E163 VanDerWaalsContact CE2-CG 3.45Å; Y161-E163 WeakPolarHBondContact CE2-OE1 3.33Å; Y161-E163 PolarHBondContact OH-OE1 2.85Å; Y161-L167 WeakPolarHBondContact O-CA 3.19Å; Y161-K168 HydrophobicContact CD1-CB 4.25Å; Y161-K168 HydrophobicContact CE1-CB 3.72Å; Y161-K168 HydrophobicContact CE2-CB 4.35Å; Y161-K168 HydrophobicContact CE2-CD 4.47Å; Y161-K168 PolarHBondContact N-O 2.82Å; Y161-K168 PolarHBondContact O-N 2.98Å; Y161-D170 HydrophobicContact CD1-CB 4.01Å
162K72.9Confident86.4Confident142 Ų14259 Ų5962%0.61729%0.289SS*.EExtended strand (participates in β ladder)trans-111.1126.8-177.3-174.2-179.4177.8-170.90109.8L167K162-L167 HydrophobicContact CB-CD2 4.07Å; K162-L167 HydrophobicContact CG-CD2 4.37Å
163E74.8Confident86.2Confident59 Ų5961.8 Ų61.828%0.27631%0.305SS..  trans-111.9-176167-75.6-165.7-156.200111Y161 D165 G166 K168Y161-E163 HydrophobicContact CD2-CG 4.03Å; Y161-E163 HydrophobicContact CE2-CG 3.45Å; Y161-E163 VanDerWaalsContact CE2-CG 3.45Å; Y161-E163 WeakPolarHBondContact CE2-OE1 3.33Å; Y161-E163 PolarHBondContact OH-OE1 2.85Å; E163-D165 VanDerWaalsContact C-N 3.3Å; E163-D165 PolarHBondContact O-N 3.38Å; E163-G166 PolarHBondContact N-O 2.82Å; E163-G166 PolarHBondContact O-N 2.89Å; E163-K168 HydrophobicContact CB-CD 4.25Å; E163-K168 VanDerWaalsContact CD-NZ 3.34Å; E163-K168 HydrophobicContact CG-CD 4.03Å; E163-K168 IonicContact OE1-NZ 3.19Å; E163-K168 WeakPolarHBondContact OE2-CE 3.34Å; E163-K168 IonicContact OE2-NZ 3.5Å; E163-K168 PolarHBondContact OE2-NZ 2.62Å
164T71.8Confident86.2Confident96 Ų9664.1 Ų64.159%0.58931%0.314SS*.SBendtrans-64.5-32.6-179.550.10000112.9E29E29-T164 HydrophobicContact CG-CG2 4.31Å
165D78.8Confident86.2Confident119 Ų11964.3 Ų64.364%0.63632%0.316SS*.SBendtrans-90.5-12.1-178.263.2-7.9000114E163 K168E163-D165 VanDerWaalsContact C-N 3.3Å; E163-D165 PolarHBondContact O-N 3.38Å; D165-K168 WeakPolarHBondContact OD1-CE 3.37Å; D165-K168 IonicContact OD1-NZ 2.58Å; D165-K168 VanDerWaalsContact OD2-CE 3.27Å; D165-K168 WeakPolarHBondContact OD2-CE 3.39Å; D165-K168 IonicContact OD2-NZ 3.46Å; D165-K168 PolarHBondContact OD2-NZ 2.58Å
166G78.4Confident86.3Confident30 Ų3070 Ų7031%0.30934%0.34SS..  trans148.9-160.9175.900000114.9E163E163-G166 PolarHBondContact N-O 2.82Å; E163-G166 PolarHBondContact O-N 2.89Å
167L81.3Confident86.7Confident123 Ų12372.2 Ų72.264%0.64436%0.358SS*.EExtended strand (participates in β ladder)trans-82.3131.6172.8-66.5176.2000109.7Y160 Y161 K162Y160-L167 HydrophobicContact CD2-CD2 4.13Å; Y161-L167 WeakPolarHBondContact O-CA 3.19Å; K162-L167 HydrophobicContact CB-CD2 4.07Å; K162-L167 HydrophobicContact CG-CD2 4.37Å
168K84.8Confident87.1Confident65 Ų6569 Ų6928%0.28334%0.343SS..EExtended strand (participates in β ladder)trans-114.5144.3176.6-64.5-168.2178.8-178.30110.3Y160 Y161 E163 D165Y160-K168 CarbonylContact C-O 3.51Å; Y160-K168 WeakPolarHBondContact CA-O 3.43Å; Y160-K168 WeakPolarHBondContact CB-O 3.44Å; Y161-K168 HydrophobicContact CD1-CB 4.25Å; Y161-K168 HydrophobicContact CE1-CB 3.72Å; Y161-K168 HydrophobicContact CE2-CB 4.35Å; Y161-K168 HydrophobicContact CE2-CD 4.47Å; Y161-K168 PolarHBondContact N-O 2.82Å; Y161-K168 PolarHBondContact O-N 2.98Å; E163-K168 HydrophobicContact CB-CD 4.25Å; E163-K168 VanDerWaalsContact CD-NZ 3.34Å; E163-K168 HydrophobicContact CG-CD 4.03Å; E163-K168 IonicContact OE1-NZ 3.19Å; E163-K168 WeakPolarHBondContact OE2-CE 3.34Å; E163-K168 IonicContact OE2-NZ 3.5Å; E163-K168 PolarHBondContact OE2-NZ 2.62Å; D165-K168 WeakPolarHBondContact OD1-CE 3.37Å; D165-K168 IonicContact OD1-NZ 2.58Å; D165-K168 VanDerWaalsContact OD2-CE 3.27Å; D165-K168 WeakPolarHBondContact OD2-CE 3.39Å; D165-K168 IonicContact OD2-NZ 3.46Å; D165-K168 PolarHBondContact OD2-NZ 2.58Å
169L89.9Confident87.7Confident100 Ų10069.4 Ų69.452%0.52434%0.342SS..EExtended strand (participates in β ladder)trans-67.1143172.8-61.4-179.6000109.4V173 Y174L169-V173 HydrophobicContact CD2-CG2 4.3Å; L169-Y174 HydrophobicContact CB-CE2 4.29Å
170D89.9Confident88.3Confident24 Ų2469.8 Ų69.813%0.12835%0.345CS..  trans-109.7169.8-179.4-167.8-5.1000110.1G158 R159 Y161 G172 V173G158-D170 VanDerWaalsContact CA-OD2 3.23Å; G158-D170 WeakPolarHBondContact CA-OD2 3.41Å; G158-D170 WeakPolarHBondContact O-CB 3.41Å; R159-D170 PolarHBondContact O-N 2.77Å; Y161-D170 HydrophobicContact CD1-CB 4.01Å; D170-G172 PolarHBondContact O-N 3.46Å; D170-V173 PolarHBondContact O-N 2.64Å; D170-V173 VanDerWaalsContact O-N 3.11Å
171V94.1Very high89Confident2 Ų265.5 Ų65.51%0.01234%0.339CS..Hα-helixtrans-50.8-31.6-17466.90000113.6I125 F132 V173 Y174 M175I125-V171 HydrophobicContact CB-CG2 4.42Å; I125-V171 HydrophobicContact CD1-CG2 4.27Å; I125-V171 HydrophobicContact CG1-CG2 3.88Å; I125-V171 HydrophobicContact CG2-CG2 4.07Å; F132-V171 HydrophobicContact CZ-CB 4.22Å; F132-V171 HydrophobicContact CZ-CG2 4.14Å; V171-V173 PolarHBondContact O-N 3.3Å; V171-V173 VanDerWaalsContact O-N 3.16Å; V171-Y174 PolarHBondContact O-N 2.61Å; V171-Y174 VanDerWaalsContact O-N 3.12Å; V171-M175 WeakPolarHBondContact O-CB 3.39Å; V171-M175 PolarHBondContact O-N 3.41Å
172G93.9Very high89.9Confident6 Ų664.1 Ų64.16%0.06234%0.335CS..Hα-helixtrans-59.6-29.7-177.800000113.4G158 D170 K176G158-G172 VanDerWaalsContact O-CA 3.22Å; G158-G172 WeakPolarHBondContact O-CA 3.09Å; G158-G172 PolarHBondContact O-N 3.22Å; D170-G172 PolarHBondContact O-N 3.46Å; G172-K176 WeakPolarHBondContact O-CB 3.33Å; G172-K176 WeakPolarHBondContact O-CG 3.4Å; G172-K176 PolarHBondContact O-N 3.48Å
173V95.4Very high91Very high59 Ų5965 Ų6536%0.35835%0.347SS..Hα-helixtrans-69.4-45177.3-179.20000110.9R159 L169 D170 V171 K176 A177R159-V173 WeakPolarHBondContact O-CG2 3.37Å; L169-V173 HydrophobicContact CD2-CG2 4.3Å; D170-V173 PolarHBondContact O-N 2.64Å; D170-V173 VanDerWaalsContact O-N 3.11Å; V171-V173 PolarHBondContact O-N 3.3Å; V171-V173 VanDerWaalsContact O-N 3.16Å; V173-K176 PolarHBondContact O-N 3.2Å; V173-A177 PolarHBondContact O-N 2.77Å; V173-A177 VanDerWaalsContact O-N 3.12Å
174Y97.8Very high92.1Very high51 Ų5163.4 Ų63.420%0.234%0.34CS..Hα-helixtrans-73.4-37.1-179.7-58.7-75.3000112.2F132 L137 L169 V171 K176 A177 L178F132-Y174 HydrophobicContact CB-CD1 3.93Å; F132-Y174 HydrophobicContact CB-CD2 4.33Å; F132-Y174 HydrophobicContact CB-CE1 3.54Å; F132-Y174 HydrophobicContact CB-CE2 3.98Å; F132-Y174 HydrophobicContact CB-CG 4.29Å; F132-Y174 AromaticContact CD1-CD1 3.98Å; F132-Y174 HydrophobicContact CD1-CD1 3.98Å; F132-Y174 AromaticContact CD1-CD2 3.77Å; F132-Y174 HydrophobicContact CD1-CD2 3.77Å; F132-Y174 HydrophobicContact CD1-CE1 4.42Å; F132-Y174 HydrophobicContact CD1-CE2 4.22Å; F132-Y174 AromaticContact CD1-CG 3.61Å; F132-Y174 HydrophobicContact CD1-CG 3.61Å; F132-Y174 AromaticContact CD2-CD2 3.5Å; F132-Y174 HydrophobicContact CD2-CD2 3.5Å; F132-Y174 HydrophobicContact CD2-CE1 4.39Å; F132-Y174 AromaticContact CD2-CE2 3.24Å; F132-Y174 HydrophobicContact CD2-CE2 3.24Å; F132-Y174 HydrophobicContact CD2-CG 4.16Å; F132-Y174 AromaticContact CD2-CZ 3.72Å; F132-Y174 AromaticContact CE1-CD2 3.8Å; F132-Y174 HydrophobicContact CE1-CD2 3.8Å; F132-Y174 AromaticContact CE1-CG 3.84Å; F132-Y174 HydrophobicContact CE1-CG 3.84Å; F132-Y174 AromaticContact CE2-CD2 3.49Å; F132-Y174 HydrophobicContact CE2-CD2 3.49Å; F132-Y174 VanDerWaalsContact CE2-CD2 3.49Å; F132-Y174 AromaticContact CE2-CE2 3.58Å; F132-Y174 HydrophobicContact CE2-CE2 3.58Å; F132-Y174 HydrophobicContact CE2-CG 4.33Å; F132-Y174 AromaticContact CG-CD1 3.95Å; F132-Y174 HydrophobicContact CG-CD1 3.95Å; F132-Y174 AromaticContact CG-CD2 3.62Å; F132-Y174 HydrophobicContact CG-CD2 3.62Å; F132-Y174 AromaticContact CG-CE1 3.92Å; F132-Y174 HydrophobicContact CG-CE1 3.92Å; F132-Y174 AromaticContact CG-CE2 3.58Å; F132-Y174 HydrophobicContact CG-CE2 3.58Å; F132-Y174 AromaticContact CG-CG 3.78Å; F132-Y174 HydrophobicContact CG-CG 3.78Å; F132-Y174 AromaticContact CG-CZ 3.71Å; F132-Y174 AromaticContact CZ-CD2 3.63Å; F132-Y174 HydrophobicContact CZ-CD2 3.63Å; F132-Y174 HydrophobicContact CZ-CE2 4.21Å; F132-Y174 HydrophobicContact CZ-CG 4.16Å; L137-Y174 HydrophobicContact CD1-CD1 3.86Å; L137-Y174 HydrophobicContact CD1-CE1 4.39Å; L137-Y174 HydrophobicContact CD2-CD1 4.37Å; L169-Y174 HydrophobicContact CB-CE2 4.29Å; V171-Y174 PolarHBondContact O-N 2.61Å; V171-Y174 VanDerWaalsContact O-N 3.12Å; Y174-K176 VanDerWaalsContact C-N 3.33Å; Y174-K176 PolarHBondContact O-N 3.49Å; Y174-A177 WeakPolarHBondContact O-CB 3.32Å; Y174-A177 PolarHBondContact O-N 2.79Å; Y174-L178 PolarHBondContact O-N 3.31Å; Y174-L178 VanDerWaalsContact O-N 3.16Å
175M97.5Very high93.3Very high5 Ų567.6 Ų67.63%0.02535%0.35CS..Hα-helixtrans-55.7-49169.3177.9-162.771.800110.5I125 L152 S154 Q157 V171 A177 L178 E179 A186 V188I125-M175 HydrophobicContact CG2-CB 4.18Å; I125-M175 HydrophobicContact CG2-CG 4.47Å; L152-M175 HydrophobicContact CD2-CG 4.47Å; S154-M175 WeakPolarHBondContact CB-SD 3.47Å; Q157-M175 HydrophobicContact CB-CE 4.5Å; V171-M175 WeakPolarHBondContact O-CB 3.39Å; V171-M175 PolarHBondContact O-N 3.41Å; M175-A177 VanDerWaalsContact C-N 3.28Å; M175-A177 PolarHBondContact O-N 3.42Å; M175-L178 PolarHBondContact O-N 2.73Å; M175-L178 VanDerWaalsContact O-N 3.17Å; M175-E179 WeakPolarHBondContact O-CG 3.43Å; M175-E179 PolarHBondContact O-N 3.43Å; M175-A186 HydrophobicContact CG-CB 3.52Å; M175-A186 HydrophobicContact SD-CB 3.57Å; M175-A186 VanDerWaalsContact SD-CB 3.57Å; M175-V188 HydrophobicContact SD-CG2 4.15Å
176K97.9Very high94.2Very high119 Ų11962.8 Ų62.852%0.51733%0.327SS..Hα-helixtrans-62.9-33.5178.7-72.4-80.4162-138.20112.7G172 V173 Y174 E179 Y180G172-K176 WeakPolarHBondContact O-CB 3.33Å; G172-K176 WeakPolarHBondContact O-CG 3.4Å; G172-K176 PolarHBondContact O-N 3.48Å; V173-K176 PolarHBondContact O-N 3.2Å; Y174-K176 VanDerWaalsContact C-N 3.33Å; Y174-K176 PolarHBondContact O-N 3.49Å; K176-E179 WeakPolarHBondContact CD-OE2 3.44Å; K176-E179 WeakPolarHBondContact CE-OE2 3.38Å; K176-E179 IonicContact NZ-OE1 2.67Å; K176-E179 PolarHBondContact NZ-OE1 3.22Å; K176-E179 IonicContact NZ-OE2 3.89Å; K176-E179 PolarHBondContact NZ-OE2 3.26Å; K176-Y180 VanDerWaalsContact O-CB 3.31Å; K176-Y180 WeakPolarHBondContact O-CB 3.36Å; K176-Y180 PolarHBondContact O-N 3.41Å
177A98.1Very high95Very high52 Ų5265 Ų6543%0.4333%0.329SS..Hα-helixtrans-63.5-43.6174.300000111.9V173 Y174 M175 Y180 A181V173-A177 PolarHBondContact O-N 2.77Å; V173-A177 VanDerWaalsContact O-N 3.12Å; Y174-A177 WeakPolarHBondContact O-CB 3.32Å; Y174-A177 PolarHBondContact O-N 2.79Å; M175-A177 VanDerWaalsContact C-N 3.28Å; M175-A177 PolarHBondContact O-N 3.42Å; A177-Y180 PolarHBondContact O-N 2.91Å; A177-A181 WeakPolarHBondContact O-CB 3.28Å; A177-A181 PolarHBondContact O-N 2.87Å
178L98.5Very high95.6Very high5 Ų560.5 Ų60.53%0.02631%0.307CS..Hα-helixtrans-69.6-41.7176.5-67.8178.1000112.5I125 L137 A140 F141 L144 L152 Y174 M175 Y180 A181 C182I125-L178 HydrophobicContact CD1-CD1 4.08Å; L137-L178 HydrophobicContact CD2-CD2 4.43Å; L137-L178 HydrophobicContact CD2-CG 4.32Å; A140-L178 HydrophobicContact CB-CD1 4.11Å; A140-L178 HydrophobicContact CB-CD2 4.37Å; F141-L178 HydrophobicContact CB-CD2 3.97Å; L144-L178 HydrophobicContact CD1-CB 4.24Å; L144-L178 HydrophobicContact CD1-CD1 4.34Å; L152-L178 HydrophobicContact CD1-CD1 4.23Å; L152-L178 HydrophobicContact CD2-CB 3.85Å; L152-L178 HydrophobicContact CD2-CD1 4.48Å; Y174-L178 PolarHBondContact O-N 3.31Å; Y174-L178 VanDerWaalsContact O-N 3.16Å; M175-L178 PolarHBondContact O-N 2.73Å; M175-L178 VanDerWaalsContact O-N 3.17Å; L178-Y180 VanDerWaalsContact C-N 3.3Å; L178-Y180 PolarHBondContact O-N 2.86Å; L178-A181 PolarHBondContact O-N 3.12Å; L178-C182 WeakPolarHBondContact O-CB 3.37Å; L178-C182 PolarHBondContact O-N 2.71Å; L178-C182 PolarHBondContact O-SG 3.05Å
179E98.4Very high96Very high18 Ų1858 Ų588%0.08430%0.297CS..Hα-helixtrans-55.5-47.3173.2-75.7-178.3125.200111.1L152 M175 K176 D183 L184 K185 A186L152-E179 HydrophobicContact CD2-CG 4.17Å; M175-E179 WeakPolarHBondContact O-CG 3.43Å; M175-E179 PolarHBondContact O-N 3.43Å; K176-E179 WeakPolarHBondContact CD-OE2 3.44Å; K176-E179 WeakPolarHBondContact CE-OE2 3.38Å; K176-E179 IonicContact NZ-OE1 2.67Å; K176-E179 PolarHBondContact NZ-OE1 3.22Å; K176-E179 IonicContact NZ-OE2 3.89Å; K176-E179 PolarHBondContact NZ-OE2 3.26Å; E179-D183 WeakPolarHBondContact O-CA 3.42Å; E179-D183 PolarHBondContact O-N 2.89Å; E179-L184 WeakPolarHBondContact CA-O 3.37Å; E179-L184 VanDerWaalsContact CB-O 3.22Å; E179-L184 WeakPolarHBondContact CB-O 3.34Å; E179-L184 HydrophobicContact CG-CD1 4.19Å; E179-L184 WeakPolarHBondContact CG-O 3.5Å; E179-L184 PolarHBondContact O-N 3.31Å; E179-K185 WeakPolarHBondContact OE1-CA 3.37Å; E179-A186 HydrophobicContact CG-CB 4.03Å; E179-A186 PolarHBondContact OE1-N 3.41Å
180Y98.3Very high96Very high206 Ų20653.3 Ų53.381%0.80827%0.272SS*.Hα-helixtrans-64.2-45.4178.2-176.5-94000112.1K176 A177 L178 C182K176-Y180 VanDerWaalsContact O-CB 3.31Å; K176-Y180 WeakPolarHBondContact O-CB 3.36Å; K176-Y180 PolarHBondContact O-N 3.41Å; A177-Y180 PolarHBondContact O-N 2.91Å; L178-Y180 VanDerWaalsContact C-N 3.3Å; L178-Y180 PolarHBondContact O-N 2.86Å; Y180-C182 VanDerWaalsContact C-N 3.3Å; Y180-C182 PolarHBondContact O-N 3.37Å
181A97.6Very high96Very high49 Ų4952.2 Ų52.241%0.40527%0.266SS..Hα-helixtrans-67.4-29.4-177.700000113.3F141 A177 L178F141-A181 HydrophobicContact CD2-CB 3.72Å; F141-A181 HydrophobicContact CE2-CB 3.9Å; A177-A181 WeakPolarHBondContact O-CB 3.28Å; A177-A181 PolarHBondContact O-N 2.87Å; L178-A181 PolarHBondContact O-N 3.12Å
182C97.6Very high95.9Very high16 Ų1653.2 Ų53.211%0.10827%0.272CS..Hα-helixtrans-1082.6-175-52.80000114.3F141 L144 L178 Y180 L184F141-C182 VanDerWaalsContact CD2-SG 3.54Å; L144-C182 HydrophobicContact CB-CB 4.39Å; L144-C182 VanDerWaalsContact CB-SG 3.55Å; L178-C182 WeakPolarHBondContact O-CB 3.37Å; L178-C182 PolarHBondContact O-N 2.71Å; L178-C182 PolarHBondContact O-SG 3.05Å; Y180-C182 VanDerWaalsContact C-N 3.3Å; Y180-C182 PolarHBondContact O-N 3.37Å; C182-L184 VanDerWaalsContact C-N 3.29Å; C182-L184 HydrophobicContact CB-CD2 3.52Å; C182-L184 HydrophobicContact CB-CG 3.81Å; C182-L184 PolarHBondContact O-N 3.25Å
183D96.7Very high95.7Very high160 Ų16053.9 Ų53.986%0.85628%0.276SS*.THydrogen-bonded Turntrans47.248.9-173.3-164.231.7000113.2E179E179-D183 WeakPolarHBondContact O-CA 3.42Å; E179-D183 PolarHBondContact O-N 2.89Å
184L97.3Very high95.4Very high27 Ų2753.8 Ų53.814%0.14128%0.277CS..  trans-131.9168.6179.667.379.7000111.3L144 P150 L152 E179 C182L144-L184 HydrophobicContact CD1-CD2 4.44Å; L144-L184 HydrophobicContact CD2-CD2 4.12Å; P150-L184 HydrophobicContact CB-CD2 3.68Å; P150-L184 HydrophobicContact CG-CD2 3.89Å; L152-L184 HydrophobicContact CB-CD1 3.59Å; L152-L184 HydrophobicContact CD2-CD1 3.8Å; L152-L184 HydrophobicContact CG-CD1 4.32Å; E179-L184 WeakPolarHBondContact CA-O 3.37Å; E179-L184 VanDerWaalsContact CB-O 3.22Å; E179-L184 WeakPolarHBondContact CB-O 3.34Å; E179-L184 HydrophobicContact CG-CD1 4.19Å; E179-L184 WeakPolarHBondContact CG-O 3.5Å; E179-L184 PolarHBondContact O-N 3.31Å; C182-L184 VanDerWaalsContact C-N 3.29Å; C182-L184 HydrophobicContact CB-CD2 3.52Å; C182-L184 HydrophobicContact CB-CG 3.81Å; C182-L184 PolarHBondContact O-N 3.25Å
185K97.2Very high95Very high184 Ų18455.5 Ų55.580%0.829%0.293SS*.  trans-111.4135.2170.1-70-171.1178179.90110.6E179E179-K185 WeakPolarHBondContact OE1-CA 3.37Å
186A97.3Very high94.7Very high17 Ų1755.5 Ų55.514%0.1429%0.293CS..  trans-74.1141.2174.900000110.8L152 M175 E179L152-A186 HydrophobicContact CB-CB 4.39Å; L152-A186 HydrophobicContact CD2-CB 3.85Å; L152-A186 HydrophobicContact CG-CB 3.83Å; L152-A186 CarbonylContact O-C 3.49Å; L152-A186 VanDerWaalsContact O-CA 3.28Å; L152-A186 WeakPolarHBondContact O-CA 3.18Å; M175-A186 HydrophobicContact CG-CB 3.52Å; M175-A186 HydrophobicContact SD-CB 3.57Å; M175-A186 VanDerWaalsContact SD-CB 3.57Å; E179-A186 HydrophobicContact CG-CB 4.03Å; E179-A186 PolarHBondContact OE1-N 3.41Å
187E96Very high94.6Very high76 Ų7649.9 Ų49.936%0.35527%0.268SS..EExtended strand (participates in β ladder)trans-84.9110.1165.7-70.3-175.1-129.700108.7R96 L152 F153 S154R96-E187 IonicContact CZ-OE1 2.97Å; R96-E187 IonicContact CZ-OE2 3.86Å; R96-E187 VanDerWaalsContact CZ-OE2 3.3Å; R96-E187 VanDerWaalsContact NH1-CD 3.27Å; R96-E187 IonicContact NH1-OE1 2.8Å; R96-E187 PolarHBondContact NH1-OE1 2.93Å; R96-E187 IonicContact NH1-OE2 2.9Å; R96-E187 PolarHBondContact NH1-OE2 3.17Å; R96-E187 IonicContact NH2-OE2 3.83Å; R96-E187 PolarHBondContact NH2-OE2 2.97Å; L152-E187 PolarHBondContact O-N 3.34Å; F153-E187 CarbonylContact C-O 3.5Å; F153-E187 VanDerWaalsContact CA-O 3.29Å; F153-E187 WeakPolarHBondContact CA-O 3.43Å; F153-E187 HydrophobicContact CD1-CB 3.6Å; F153-E187 HydrophobicContact CE1-CB 3.86Å; F153-E187 HydrophobicContact CE1-CG 4.34Å; F153-E187 WeakPolarHBondContact CE1-OE2 3.39Å; S154-E187 PolarHBondContact N-O 3.38Å
188V94.1Very high94.4Very high30 Ų3052.5 Ų52.518%0.18227%0.272CS..EExtended strand (participates in β ladder)trans-79.9123.3179-178.20000110S154 Q157 M175S154-V188 CarbonylContact O-C 3.57Å; S154-V188 WeakPolarHBondContact O-CA 3.3Å; Q157-V188 HydrophobicContact CB-CG1 4.11Å; Q157-V188 HydrophobicContact CB-CG2 4.07Å; Q157-V188 HydrophobicContact CG-CG1 4.09Å; M175-V188 HydrophobicContact SD-CG2 4.15Å
189I92.9Very high94.1Very high13 Ų1354.7 Ų54.77%0.06729%0.287CS..  trans-103.8132.4173.9-51.9-60.1000107.9P85 A88 A89 V92 F153 S154 L155P85-I189 HydrophobicContact CB-CG2 4.23Å; P85-I189 WeakPolarHBondContact O-CG2 3.48Å; A88-I189 HydrophobicContact CB-CG2 3.77Å; A89-I189 HydrophobicContact CB-CG1 4.41Å; A89-I189 HydrophobicContact CB-CG2 4.25Å; V92-I189 HydrophobicContact CG2-CD1 4.45Å; F153-I189 HydrophobicContact CB-CG1 4.36Å; F153-I189 HydrophobicContact CD1-CD1 4.02Å; F153-I189 HydrophobicContact CD1-CG1 4.11Å; S154-I189 PolarHBondContact O-N 2.97Å; L155-I189 CarbonylContact C-O 3.58Å; L155-I189 WeakPolarHBondContact CA-O 3.44Å; L155-I189 HydrophobicContact CD2-CB 4.34Å
190G89Confident94Very high1 Ų153.8 Ų53.81%0.0128%0.283CS..SBendtrans101-170.7-172.800000112.7S193G190-S193 WeakPolarHBondContact O-CA 3.29Å; G190-S193 WeakPolarHBondContact O-CB 3.41Å; G190-S193 PolarHBondContact O-N 2.92Å
191K91.2Very high93.9Very high1 Ų144.2 Ų44.20%0.00425%0.246CC..THydrogen-bonded Turntrans-69.5135.5-178.1-61.6-179.4-69.7171.30110.4D19 C55 N57 F196 F197 M213 N220 D221D19-K191 VanDerWaalsContact CG-NZ 3.35Å; D19-K191 IonicContact OD1-NZ 2.85Å; D19-K191 PolarHBondContact OD1-NZ 3.17Å; C55-K191 HydrophobicContact CB-CD 4.06Å; N57-K191 WeakPolarHBondContact OD1-CE 3.32Å; N57-K191 PolarHBondContact OD1-N 3.14Å; K191-F196 HydrophobicContact CD-CE1 4.05Å; K191-F196 HydrophobicContact CG-CD1 3.57Å; K191-F196 HydrophobicContact CG-CE1 3.4Å; K191-F196 HydrophobicContact CG-CZ 4.28Å; K191-F197 HydrophobicContact CB-CZ 4.3Å; K191-F197 HydrophobicContact CD-CE1 4.39Å; K191-F197 HydrophobicContact CD-CZ 4.11Å; K191-F197 HydrophobicContact CG-CE1 4.32Å; K191-F197 HydrophobicContact CG-CE2 4.28Å; K191-F197 HydrophobicContact CG-CZ 3.78Å; K191-M213 HydrophobicContact CD-CE 4.31Å; K191-N220 HydrophobicContact CB-CB 4.39Å; K191-N220 WeakPolarHBondContact CB-O 3.21Å; K191-D221 VanDerWaalsContact CD-OD1 3.25Å; K191-D221 WeakPolarHBondContact CD-OD1 3.41Å; K191-D221 VanDerWaalsContact CE-OD1 3.25Å; K191-D221 WeakPolarHBondContact CE-OD1 3.32Å; K191-D221 IonicContact NZ-OD1 2.73Å; K191-D221 PolarHBondContact NZ-OD1 3.23Å
192P90.8Very high93.9Very high22 Ų2246.3 Ų46.314%0.14326%0.258CS..THydrogen-bonded Turncis-96.819.311.429-18.6000114.7P194 N220P192-P194 WeakPolarHBondContact O-CD 3.45Å; P192-N220 WeakPolarHBondContact CA-O 3.37Å; P192-N220 WeakPolarHBondContact CB-O 3.35Å; P192-N220 VanDerWaalsContact CD-OD1 3.29Å; P192-N220 WeakPolarHBondContact CD-OD1 3.38Å
193S89.6Confident93.8Very high21 Ų2149.5 Ų49.515%0.14727%0.273CS..  trans-57.2130.1-174.3-176.20000111.6G190 T195 F196 F197G190-S193 WeakPolarHBondContact O-CA 3.29Å; G190-S193 WeakPolarHBondContact O-CB 3.41Å; G190-S193 PolarHBondContact O-N 2.92Å; S193-T195 PolarHBondContact O-N 3.38Å; S193-T195 PolarHBondContact OG-OG1 3.36Å; S193-F196 WeakPolarHBondContact O-CB 3.4Å; S193-F196 PolarHBondContact O-N 2.84Å; S193-F197 WeakPolarHBondContact O-CD2 3.37Å; S193-F197 PolarHBondContact O-N 3.49Å
194P89.5Confident93.8Very high56 Ų5642.5 Ų42.536%0.36424%0.236SC..Hα-helixtrans-60.1-33177.8-27.235.4000113.8P192 F196 F197 Q198 C228P192-P194 WeakPolarHBondContact O-CD 3.45Å; P194-F196 PolarHBondContact O-N 3.14Å; P194-F197 PolarHBondContact O-N 3.36Å; P194-Q198 WeakPolarHBondContact O-CB 3.41Å; P194-Q198 WeakPolarHBondContact O-CG 3.23Å; P194-Q198 PolarHBondContact O-N 2.84Å; P194-C228 WeakPolarHBondContact CA-SG 3.42Å
195T89.1Confident93.8Very high87 Ų8744.4 Ų44.453%0.53426%0.261SS..Hα-helixtrans-64.2-31.1177.858.50000111.7S193 S199S193-T195 PolarHBondContact O-N 3.38Å; S193-T195 PolarHBondContact OG-OG1 3.36Å; T195-S199 WeakPolarHBondContact O-CB 3.38Å; T195-S199 PolarHBondContact O-N 3.01Å
196F92.1Very high93.8Very high6 Ų636.9 Ų36.93%0.02623%0.23CC..Hα-helixtrans-66-54.2176.1176.8-96.3000110.9C55 F83 K191 S193 P194 Q198 S199 V200C55-F196 HydrophobicContact CB-CE1 3.72Å; C55-F196 HydrophobicContact CB-CZ 3.84Å; C55-F196 VanDerWaalsContact SG-CE1 3.54Å; F83-F196 HydrophobicContact CB-CE2 4.27Å; F83-F196 HydrophobicContact CB-CZ 4.07Å; F83-F196 VanDerWaalsContact O-CZ 3.3Å; F83-F196 WeakPolarHBondContact O-CZ 3.25Å; K191-F196 HydrophobicContact CD-CE1 4.05Å; K191-F196 HydrophobicContact CG-CD1 3.57Å; K191-F196 HydrophobicContact CG-CE1 3.4Å; K191-F196 HydrophobicContact CG-CZ 4.28Å; S193-F196 WeakPolarHBondContact O-CB 3.4Å; S193-F196 PolarHBondContact O-N 2.84Å; P194-F196 PolarHBondContact O-N 3.14Å; F196-Q198 VanDerWaalsContact C-N 3.3Å; F196-Q198 PolarHBondContact O-N 3.32Å; F196-S199 WeakPolarHBondContact O-CB 3.27Å; F196-S199 PolarHBondContact O-N 3.38Å; F196-S199 VanDerWaalsContact O-N 3.1Å; F196-S199 PolarHBondContact O-OG 2.88Å; F196-V200 HydrophobicContact CE1-CG2 4.25Å; F196-V200 HydrophobicContact CZ-CG2 4.33Å; F196-V200 WeakPolarHBondContact O-CG2 3.38Å; F196-V200 PolarHBondContact O-N 3.19Å
197F94.7Very high93.8Very high0 Ų042.6 Ų42.60%025%0.252CS..Hα-helixtrans-62.7-37.7178.2-65.5-79.8000112.3K191 S193 P194 S199 V200 L201 M213 A225 C228 M230K191-F197 HydrophobicContact CB-CZ 4.3Å; K191-F197 HydrophobicContact CD-CE1 4.39Å; K191-F197 HydrophobicContact CD-CZ 4.11Å; K191-F197 HydrophobicContact CG-CE1 4.32Å; K191-F197 HydrophobicContact CG-CE2 4.28Å; K191-F197 HydrophobicContact CG-CZ 3.78Å; S193-F197 WeakPolarHBondContact O-CD2 3.37Å; S193-F197 PolarHBondContact O-N 3.49Å; P194-F197 PolarHBondContact O-N 3.36Å; F197-S199 VanDerWaalsContact C-N 3.3Å; F197-S199 PolarHBondContact O-N 3.32Å; F197-V200 PolarHBondContact O-N 3.17Å; F197-L201 WeakPolarHBondContact O-CB 3.45Å; F197-L201 VanDerWaalsContact O-CG 3.27Å; F197-L201 WeakPolarHBondContact O-CG 3.11Å; F197-L201 PolarHBondContact O-N 3.36Å; F197-M213 HydrophobicContact CE1-CG 4.32Å; F197-M213 HydrophobicContact CE1-SD 4.08Å; F197-A225 HydrophobicContact CD1-CB 4.17Å; F197-A225 HydrophobicContact CE1-CB 3.89Å; F197-A225 HydrophobicContact CZ-CB 4.2Å; F197-C228 HydrophobicContact CB-CB 4.27Å; F197-M230 HydrophobicContact CB-SD 4.12Å; F197-M230 HydrophobicContact CD1-SD 4.04Å; F197-M230 HydrophobicContact CG-SD 4.36Å
198Q93.9Very high93.8Very high108 Ų10840.5 Ų40.551%0.50525%0.245SC..Hα-helixtrans-60.1-39.1174-74170.22.100112.4P194 F196 L201 S202P194-Q198 WeakPolarHBondContact O-CB 3.41Å; P194-Q198 WeakPolarHBondContact O-CG 3.23Å; P194-Q198 PolarHBondContact O-N 2.84Å; F196-Q198 VanDerWaalsContact C-N 3.3Å; F196-Q198 PolarHBondContact O-N 3.32Å; Q198-L201 PolarHBondContact O-N 2.92Å; Q198-S202 VanDerWaalsContact O-CB 3.32Å; Q198-S202 WeakPolarHBondContact O-CB 3.31Å; Q198-S202 PolarHBondContact O-N 3.02Å
199S93.3Very high93.8Very high50 Ų5045 Ų4535%0.3526%0.264SS..Hα-helixtrans-64.1-40.2176.775.70000112.2T195 F196 F197 S202 D203T195-S199 WeakPolarHBondContact O-CB 3.38Å; T195-S199 PolarHBondContact O-N 3.01Å; F196-S199 WeakPolarHBondContact O-CB 3.27Å; F196-S199 PolarHBondContact O-N 3.38Å; F196-S199 VanDerWaalsContact O-N 3.1Å; F196-S199 PolarHBondContact O-OG 2.88Å; F197-S199 VanDerWaalsContact C-N 3.3Å; F197-S199 PolarHBondContact O-N 3.32Å; S199-S202 PolarHBondContact O-N 3.49Å; S199-D203 PolarHBondContact O-N 3.38Å; S199-D203 VanDerWaalsContact O-N 3.1Å
200V96.1Very high93.9Very high0 Ų046.3 Ų46.30%027%0.269CS..Hα-helixtrans-68.2-44.8177.6-174.50000110.4I17 R53 F83 F196 F197 S202 D203 M204I17-V200 HydrophobicContact CD1-CB 4.06Å; I17-V200 HydrophobicContact CD1-CG1 3.53Å; I17-V200 HydrophobicContact CG1-CG1 4.11Å; I17-V200 HydrophobicContact CG2-CG1 4.4Å; R53-V200 HydrophobicContact CB-CG1 3.75Å; R53-V200 HydrophobicContact CG-CG1 4.08Å; F83-V200 HydrophobicContact CB-CG2 3.99Å; F83-V200 HydrophobicContact CD1-CB 4.46Å; F83-V200 HydrophobicContact CD1-CG2 3.71Å; F83-V200 HydrophobicContact CD2-CG1 4.47Å; F83-V200 HydrophobicContact CE1-CG2 4.38Å; F83-V200 HydrophobicContact CG-CG2 3.82Å; F196-V200 HydrophobicContact CE1-CG2 4.25Å; F196-V200 HydrophobicContact CZ-CG2 4.33Å; F196-V200 WeakPolarHBondContact O-CG2 3.38Å; F196-V200 PolarHBondContact O-N 3.19Å; F197-V200 PolarHBondContact O-N 3.17Å; V200-S202 VanDerWaalsContact C-N 3.31Å; V200-S202 PolarHBondContact O-N 2.96Å; V200-D203 WeakPolarHBondContact O-CB 3.1Å; V200-D203 PolarHBondContact O-N 3Å; V200-M204 HydrophobicContact CG1-SD 4.14Å; V200-M204 VanDerWaalsContact O-CG 3.32Å; V200-M204 WeakPolarHBondContact O-CG 3.4Å; V200-M204 PolarHBondContact O-N 3.27Å
201L96.9Very high94.3Very high5 Ų546.2 Ų46.23%0.02627%0.269CS..Hα-helixtrans-61.6-38.9176-71.4169.3000112.3I17 F197 Q198 D203 M204 G205 L206 P208 A211 M230I17-L201 HydrophobicContact CD1-CD2 4.29Å; F197-L201 WeakPolarHBondContact O-CB 3.45Å; F197-L201 VanDerWaalsContact O-CG 3.27Å; F197-L201 WeakPolarHBondContact O-CG 3.11Å; F197-L201 PolarHBondContact O-N 3.36Å; Q198-L201 PolarHBondContact O-N 2.92Å; L201-D203 VanDerWaalsContact C-N 3.34Å; L201-M204 CarbonylContact O-C 3.55Å; L201-M204 PolarHBondContact O-N 2.8Å; L201-G205 PolarHBondContact O-N 2.84Å; L201-L206 HydrophobicContact CD2-CB 4.34Å; L201-L206 PolarHBondContact O-N 3.44Å; L201-P208 HydrophobicContact CD1-CB 3.98Å; L201-P208 HydrophobicContact CD1-CG 3.82Å; L201-A211 HydrophobicContact CD2-CB 3.44Å; L201-A211 VanDerWaalsContact CD2-CB 3.44Å; L201-M230 HydrophobicContact CD1-CG 4.11Å; L201-M230 HydrophobicContact CD1-SD 4.01Å; L201-M230 HydrophobicContact CD2-SD 4.37Å; L201-M230 HydrophobicContact CG-SD 4.36Å
202S95.9Very high94.5Very high93 Ų9346.3 Ų46.365%0.6527%0.269SS*.Hα-helixtrans-64.6-38.9176.4-172.70000111.9Q198 S199 V200 M204 G205Q198-S202 VanDerWaalsContact O-CB 3.32Å; Q198-S202 WeakPolarHBondContact O-CB 3.31Å; Q198-S202 PolarHBondContact O-N 3.02Å; S199-S202 PolarHBondContact O-N 3.49Å; V200-S202 VanDerWaalsContact C-N 3.31Å; V200-S202 PolarHBondContact O-N 2.96Å; S202-M204 VanDerWaalsContact C-N 3.33Å; S202-G205 PolarHBondContact O-N 3.06Å
203D96.5Very high94.9Very high82 Ų8245.2 Ų45.244%0.43926%0.262SS..Hα-helixtrans-64.8-38.5174.3-179.786.3000111.9R53 F83 S199 V200 L201 G205R53-D203 IonicContact CZ-OD2 2.64Å; R53-D203 IonicContact NE-OD2 3.3Å; R53-D203 PolarHBondContact NE-OD2 3Å; R53-D203 IonicContact NH2-OD2 3.41Å; R53-D203 PolarHBondContact NH2-OD2 3.34Å; F83-D203 HydrophobicContact CE1-CB 4.11Å; F83-D203 HydrophobicContact CZ-CB 3.7Å; S199-D203 PolarHBondContact O-N 3.38Å; S199-D203 VanDerWaalsContact O-N 3.1Å; V200-D203 WeakPolarHBondContact O-CB 3.1Å; V200-D203 PolarHBondContact O-N 3Å; L201-D203 VanDerWaalsContact C-N 3.34Å; D203-G205 PolarHBondContact O-N 2.71Å
204M97Very high95.3Very high14 Ų1444.2 Ų44.27%0.06926%0.255CS..Hα-helixtrans-75-12.4175.3-60.3170.881.300113.1I17 E51 R53 V200 L201 S202 L206I17-M204 HydrophobicContact CD1-SD 3.94Å; I17-M204 HydrophobicContact CG1-CE 4.36Å; I17-M204 HydrophobicContact CG1-SD 3.78Å; E51-M204 HydrophobicContact CB-CE 3.54Å; E51-M204 VanDerWaalsContact O-CE 3.27Å; E51-M204 WeakPolarHBondContact O-CE 3.22Å; R53-M204 HydrophobicContact CB-SD 4.1Å; R53-M204 HydrophobicContact CG-CE 4.28Å; R53-M204 HydrophobicContact CG-CG 3.47Å; R53-M204 VanDerWaalsContact CG-CG 3.47Å; R53-M204 HydrophobicContact CG-SD 3.68Å; V200-M204 HydrophobicContact CG1-SD 4.14Å; V200-M204 VanDerWaalsContact O-CG 3.32Å; V200-M204 WeakPolarHBondContact O-CG 3.4Å; V200-M204 PolarHBondContact O-N 3.27Å; L201-M204 CarbonylContact O-C 3.55Å; L201-M204 PolarHBondContact O-N 2.8Å; S202-M204 VanDerWaalsContact C-N 3.33Å; M204-L206 VanDerWaalsContact C-N 3.27Å; M204-L206 HydrophobicContact CB-CB 4.3Å; M204-L206 HydrophobicContact CB-CD1 3.99Å; M204-L206 HydrophobicContact CB-CG 3.82Å; M204-L206 HydrophobicContact CE-CD1 3.83Å; M204-L206 PolarHBondContact O-N 2.8Å; M204-L206 HydrophobicContact SD-CD1 4.49Å
205G97.6Very high95.7Very high66 Ų6641.6 Ų41.668%0.6824%0.238SC*.THydrogen-bonded Turntrans65.227.7-17300000113.8L201 S202 D203L201-G205 PolarHBondContact O-N 2.84Å; S202-G205 PolarHBondContact O-N 3.06Å; D203-G205 PolarHBondContact O-N 2.71Å
206L97.4Very high95.9Very high26 Ų2637.6 Ų37.614%0.13621%0.214CC..  trans-111.1151.4-173.4-62.3-175.5000112.7K14 E51 L201 M204 E210 A211K14-L206 HydrophobicContact CB-CD1 4.1Å; K14-L206 HydrophobicContact CB-CD2 3.63Å; K14-L206 HydrophobicContact CD-CD2 4Å; K14-L206 HydrophobicContact CG-CD2 4.5Å; E51-L206 HydrophobicContact CB-CD1 4.46Å; L201-L206 HydrophobicContact CD2-CB 4.34Å; L201-L206 PolarHBondContact O-N 3.44Å; M204-L206 VanDerWaalsContact C-N 3.27Å; M204-L206 HydrophobicContact CB-CB 4.3Å; M204-L206 HydrophobicContact CB-CD1 3.99Å; M204-L206 HydrophobicContact CB-CG 3.82Å; M204-L206 HydrophobicContact CE-CD1 3.83Å; M204-L206 PolarHBondContact O-N 2.8Å; M204-L206 HydrophobicContact SD-CD1 4.49Å; L206-E210 HydrophobicContact CB-CB 4.45Å; L206-A211 HydrophobicContact CD1-CB 4.49Å
207K96.6Very high96Very high137 Ų13738.4 Ų38.460%0.59622%0.218SC*.  trans-80153.8164.9-63.3177.9-176.9175.60110Q209 E210K207-Q209 PolarHBondContact O-N 2.88Å; K207-Q209 VanDerWaalsContact O-N 3.12Å; K207-E210 HydrophobicContact CB-CG 4.22Å; K207-E210 WeakPolarHBondContact CB-OE2 3.36Å; K207-E210 PolarHBondContact N-OE2 3.27Å; K207-E210 WeakPolarHBondContact O-CB 3.02Å; K207-E210 PolarHBondContact O-N 3.4Å
208P95.7Very high95.9Very high32 Ų3238.7 Ų38.721%0.20822%0.22CC..G310 helixtrans-52.3-39.9-179.8-26.332.2000114.3L201 E210 A211 C228 M230L201-P208 HydrophobicContact CD1-CB 3.98Å; L201-P208 HydrophobicContact CD1-CG 3.82Å; P208-E210 PolarHBondContact O-N 2.78Å; P208-A211 PolarHBondContact O-N 3.07Å; P208-C228 WeakPolarHBondContact CB-O 3.49Å; P208-C228 VanDerWaalsContact CG-O 3.23Å; P208-C228 WeakPolarHBondContact CG-O 3.45Å; P208-M230 HydrophobicContact CB-CG 3.93Å; P208-M230 WeakPolarHBondContact O-CA 3.19Å; P208-M230 WeakPolarHBondContact O-CG 3.33Å
209Q94.3Very high95.8Very high125 Ų12536.3 Ų36.358%0.58421%0.212SC*.G310 helixtrans-71.5-12.4-177.7-58.576.521.900113.6K207K207-Q209 PolarHBondContact O-N 2.88Å; K207-Q209 VanDerWaalsContact O-N 3.12Å
210E95.3Very high95.7Very high40 Ų4034.7 Ų34.719%0.18720%0.2CC..G310 helixtrans-92.8-5.4178.8-59.2176.1130.700112.1L13 K14 G15 L206 K207 P208L13-E210 WeakPolarHBondContact CA-O 3.41Å; K14-E210 HydrophobicContact CB-CB 4.29Å; K14-E210 HydrophobicContact CD-CB 4.31Å; K14-E210 HydrophobicContact CD-CG 4.35Å; K14-E210 VanDerWaalsContact CE-OE1 3.29Å; K14-E210 WeakPolarHBondContact CE-OE1 3.35Å; K14-E210 HydrophobicContact CG-CB 4.37Å; K14-E210 PolarHBondContact N-O 2.77Å; K14-E210 IonicContact NZ-OE1 2.69Å; K14-E210 PolarHBondContact NZ-OE1 3.02Å; G15-E210 PolarHBondContact N-O 3.27Å; L206-E210 HydrophobicContact CB-CB 4.45Å; K207-E210 HydrophobicContact CB-CG 4.22Å; K207-E210 WeakPolarHBondContact CB-OE2 3.36Å; K207-E210 PolarHBondContact N-OE2 3.27Å; K207-E210 WeakPolarHBondContact O-CB 3.02Å; K207-E210 PolarHBondContact O-N 3.4Å; P208-E210 PolarHBondContact O-N 2.78Å
211A96.5Very high95.7Very high0 Ų034.8 Ų34.80%020%0.2CC..EExtended strand (participates in β ladder)trans-119.4150-17700000112.6G15 L201 L206 P208 M230G15-A211 WeakPolarHBondContact O-CA 3.42Å; L201-A211 HydrophobicContact CD2-CB 3.44Å; L201-A211 VanDerWaalsContact CD2-CB 3.44Å; L206-A211 HydrophobicContact CD1-CB 4.49Å; P208-A211 PolarHBondContact O-N 3.07Å; A211-M230 HydrophobicContact CB-CE 3.95Å
212L96.8Very high95.6Very high2 Ų234.6 Ų34.61%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-117.5128.8175.6-177.170.2000110L13 G15 V16 I17 I214 K231 V233 I266L13-L212 HydrophobicContact CD1-CB 3.76Å; L13-L212 HydrophobicContact CD1-CD2 3.92Å; L13-L212 HydrophobicContact CD1-CG 4.37Å; L13-L212 HydrophobicContact CD2-CB 3.9Å; L13-L212 HydrophobicContact CG-CB 4.48Å; G15-L212 PolarHBondContact O-N 3.34Å; G15-L212 VanDerWaalsContact O-N 3.12Å; V16-L212 WeakPolarHBondContact CA-O 3.28Å; I17-L212 PolarHBondContact N-O 3.32Å; L212-I214 HydrophobicContact CD2-CD1 4.22Å; L212-I214 HydrophobicContact CD2-CG1 4.1Å; L212-I214 HydrophobicContact CG-CG1 4.28Å; L212-K231 HydrophobicContact CD1-CB 3.63Å; L212-V233 HydrophobicContact CD1-CG2 3.89Å; L212-V233 HydrophobicContact CD2-CG2 4.27Å; L212-V233 HydrophobicContact CG-CG2 4.45Å; L212-I266 HydrophobicContact CD2-CD1 3.72Å; L212-I266 HydrophobicContact CD2-CG1 4.25Å
213M97.9Very high95.6Very high0 Ų030.2 Ų30.20%017%0.169CC..EExtended strand (participates in β ladder)trans-90132.9167.2-179.161.6-169.600110.1I17 D19 K191 F197 D221 A225 M230 K231 G232 V233I17-M213 HydrophobicContact CB-SD 3.94Å; I17-M213 HydrophobicContact CG2-SD 3.61Å; I17-M213 CarbonylContact O-C 3.42Å; I17-M213 WeakPolarHBondContact O-CA 3.39Å; I17-M213 VanDerWaalsContact O-SD 3.41Å; D19-M213 HydrophobicContact CB-CE 3.8Å; K191-M213 HydrophobicContact CD-CE 4.31Å; F197-M213 HydrophobicContact CE1-CG 4.32Å; F197-M213 HydrophobicContact CE1-SD 4.08Å; M213-D221 HydrophobicContact CE-CB 3.61Å; M213-D221 HydrophobicContact CG-CB 4.39Å; M213-A225 HydrophobicContact CB-CB 3.36Å; M213-A225 HydrophobicContact CG-CB 3.78Å; M213-M230 HydrophobicContact CB-CE 3.95Å; M213-K231 PolarHBondContact N-O 3.04Å; M213-G232 CarbonylContact O-C 3.56Å; M213-G232 WeakPolarHBondContact O-CA 3.36Å; M213-V233 PolarHBondContact O-N 2.97Å
214I98.3Very high95.5Very high0 Ų026.3 Ų26.30%015%0.148CC..EExtended strand (participates in β ladder)trans-119.4118.1169.9-56.8174.8000108V16 I17 L18 D19 V23 L212 V233 V235 L259 A262 I266V16-I214 HydrophobicContact CG1-CD1 3.89Å; V16-I214 HydrophobicContact CG1-CG1 4.34Å; I17-I214 PolarHBondContact O-N 3.14Å; L18-I214 HydrophobicContact CD2-CB 3.71Å; L18-I214 HydrophobicContact CD2-CD1 3.72Å; L18-I214 HydrophobicContact CD2-CG1 4.06Å; L18-I214 HydrophobicContact CD2-CG2 4.41Å; D19-I214 PolarHBondContact N-O 3.04Å; V23-I214 HydrophobicContact CG1-CG2 4.2Å; L212-I214 HydrophobicContact CD2-CD1 4.22Å; L212-I214 HydrophobicContact CD2-CG1 4.1Å; L212-I214 HydrophobicContact CG-CG1 4.28Å; I214-V233 WeakPolarHBondContact CA-O 3.23Å; I214-V233 HydrophobicContact CG1-CB 4.32Å; I214-V235 HydrophobicContact CG2-CG1 3.61Å; I214-L259 HydrophobicContact CD1-CD1 4.24Å; I214-L259 HydrophobicContact CG2-CD1 4.34Å; I214-A262 HydrophobicContact CD1-CB 3.88Å; I214-I266 HydrophobicContact CD1-CD1 3.9Å
215G97.3Very high95.4Very high0 Ų025.6 Ų25.60%015%0.145CC..EExtended strand (participates in β ladder)trans-144.7162.1-174.900000113.3D221 V233 Q234 V235G215-D221 WeakPolarHBondContact CA-OD2 3.47Å; G215-V233 PolarHBondContact N-O 3.29Å; G215-V233 VanDerWaalsContact N-O 3.09Å; G215-Q234 CarbonylContact O-C 3.49Å; G215-Q234 VanDerWaalsContact O-CA 3.3Å; G215-Q234 WeakPolarHBondContact O-CA 3.43Å; G215-V235 PolarHBondContact O-N 3.01Å
216D95Very high95.4Very high4 Ų425 Ų252%0.02112%0.124CC..SBendtrans-93.9-27.6174.476.2-38.8000111.8V23 D221 Q234 V235 T237 G238 K239V23-D216 HydrophobicContact CG2-CB 4.18Å; D216-D221 PolarHBondContact N-OD2 3.17Å; D216-Q234 PolarHBondContact O-NE2 2.86Å; D216-V235 HydrophobicContact CB-CG2 3.88Å; D216-T237 WeakPolarHBondContact CB-O 3.27Å; D216-G238 WeakPolarHBondContact OD2-CA 3.43Å; D216-K239 WeakPolarHBondContact OD2-CB 3.12Å; D216-K239 WeakPolarHBondContact OD2-CG 3.34Å; D216-K239 PolarHBondContact OD2-N 2.73Å
217D92.8Very high95.2Very high23 Ų2331.4 Ų31.412%0.12315%0.147CC..  trans-88.9107179.8-166.8-44.5000111.2V219 N220 D221 V222 K239D217-V219 PolarHBondContact O-N 2.93Å; D217-V219 PolarHBondContact OD1-N 3.15Å; D217-V219 VanDerWaalsContact OD1-N 3.08Å; D217-N220 HydrophobicContact CB-CB 4.2Å; D217-N220 VanDerWaalsContact CG-ND2 3.31Å; D217-N220 PolarHBondContact OD1-N 2.98Å; D217-N220 PolarHBondContact OD1-ND2 3.26Å; D217-N220 PolarHBondContact OD2-ND2 3.3Å; D217-D221 PolarHBondContact N-OD2 3.02Å; D217-D221 VanDerWaalsContact O-CB 3.26Å; D217-D221 WeakPolarHBondContact O-CB 3.29Å; D217-D221 PolarHBondContact O-N 2.97Å; D217-V222 PolarHBondContact O-N 3.26Å; D217-K239 HydrophobicContact CB-CD 4.25Å; D217-K239 IonicContact OD2-NZ 3.71Å; D217-K239 PolarHBondContact OD2-NZ 3.42Å
218L93.8Very high95.1Very high6 Ų625.7 Ų25.73%0.03112%0.124CC..Iπ-helixtrans-55.7-39-177.6-178.263.2000112.6V222 G223 D244 H247 V250 A252L218-V222 HydrophobicContact CD1-CB 4.18Å; L218-V222 HydrophobicContact CD1-CG1 4.14Å; L218-V222 WeakPolarHBondContact O-CB 3.41Å; L218-G223 PolarHBondContact O-N 3.2Å; L218-D244 HydrophobicContact CB-CB 4.41Å; L218-D244 HydrophobicContact CD2-CB 3.8Å; L218-D244 VanDerWaalsContact CD2-O 3.3Å; L218-D244 WeakPolarHBondContact CD2-O 3.42Å; L218-H247 HydrophobicContact CD2-CB 3.43Å; L218-H247 VanDerWaalsContact CD2-CB 3.43Å; L218-V250 HydrophobicContact CD1-CG1 3.88Å; L218-V250 HydrophobicContact CD2-CB 4.44Å; L218-V250 HydrophobicContact CG-CB 4.22Å; L218-V250 HydrophobicContact CG-CG1 3.89Å; L218-V250 WeakPolarHBondContact O-CG1 3.22Å; L218-A252 HydrophobicContact CD1-CB 4.04Å
219V91.9Very high95Very high58 Ų5825.8 Ų25.835%0.35213%0.131SC..Iπ-helixtrans-87-48.7-173.4178.10000110.6D217 G224D217-V219 PolarHBondContact O-N 2.93Å; D217-V219 PolarHBondContact OD1-N 3.15Å; D217-V219 VanDerWaalsContact OD1-N 3.08Å; V219-G224 PolarHBondContact O-N 3.12Å; V219-G224 VanDerWaalsContact O-N 3.13Å
220N91.2Very high95.1Very high16 Ų1620.1 Ų20.19%0.08611%0.105CC..Iπ-helixtrans-75.1-41-173.5-66.3-59.3000112Q157 K191 P192 D217Q157-N220 PolarHBondContact NE2-OD1 3.2Å; K191-N220 HydrophobicContact CB-CB 4.39Å; K191-N220 WeakPolarHBondContact CB-O 3.21Å; P192-N220 WeakPolarHBondContact CA-O 3.37Å; P192-N220 WeakPolarHBondContact CB-O 3.35Å; P192-N220 VanDerWaalsContact CD-OD1 3.29Å; P192-N220 WeakPolarHBondContact CD-OD1 3.38Å; D217-N220 HydrophobicContact CB-CB 4.2Å; D217-N220 VanDerWaalsContact CG-ND2 3.31Å; D217-N220 PolarHBondContact OD1-N 2.98Å; D217-N220 PolarHBondContact OD1-ND2 3.26Å; D217-N220 PolarHBondContact OD2-ND2 3.3Å
221D94.9Very high95Very high2 Ų221.3 Ų21.31%0.01111%0.109CC..Iπ-helixtrans-90.5-64.4-176.1-57.9-27.5000111.3K191 M213 G215 D216 D217 A225K191-D221 VanDerWaalsContact CD-OD1 3.25Å; K191-D221 WeakPolarHBondContact CD-OD1 3.41Å; K191-D221 VanDerWaalsContact CE-OD1 3.25Å; K191-D221 WeakPolarHBondContact CE-OD1 3.32Å; K191-D221 IonicContact NZ-OD1 2.73Å; K191-D221 PolarHBondContact NZ-OD1 3.23Å; M213-D221 HydrophobicContact CE-CB 3.61Å; M213-D221 HydrophobicContact CG-CB 4.39Å; G215-D221 WeakPolarHBondContact CA-OD2 3.47Å; D216-D221 PolarHBondContact N-OD2 3.17Å; D217-D221 PolarHBondContact N-OD2 3.02Å; D217-D221 VanDerWaalsContact O-CB 3.26Å; D217-D221 WeakPolarHBondContact O-CB 3.29Å; D217-D221 PolarHBondContact O-N 2.97Å; D221-A225 VanDerWaalsContact O-CB 3.25Å; D221-A225 WeakPolarHBondContact O-CB 3.28Å; D221-A225 PolarHBondContact O-N 3.49Å
222V95.9Very high95Very high0 Ų021.3 Ų21.30%011%0.109CC..Iπ-helixtrans-71.1-53.4-171.3175.60000110.2D217 L218 G224 A225 Q226 Q234 A252D217-V222 PolarHBondContact O-N 3.26Å; L218-V222 HydrophobicContact CD1-CB 4.18Å; L218-V222 HydrophobicContact CD1-CG1 4.14Å; L218-V222 WeakPolarHBondContact O-CB 3.41Å; V222-G224 PolarHBondContact O-N 3.14Å; V222-A225 PolarHBondContact O-N 2.95Å; V222-Q226 WeakPolarHBondContact O-CB 3.3Å; V222-Q226 VanDerWaalsContact O-CG 3.29Å; V222-Q226 WeakPolarHBondContact O-CG 3.29Å; V222-Q226 PolarHBondContact O-N 2.87Å; V222-Q234 HydrophobicContact CG2-CB 4.09Å; V222-Q234 HydrophobicContact CG2-CG 4.44Å; V222-A252 HydrophobicContact CG1-CB 3.73Å
223G95.1Very high95Very high1 Ų121.2 Ų21.21%0.0111%0.109CC..Iπ-helixtrans-60.1-45.9177.800000112.1L218 A225 Q226 Y227L218-G223 PolarHBondContact O-N 3.2Å; G223-A225 PolarHBondContact O-N 2.85Å; G223-Q226 PolarHBondContact O-N 3.32Å; G223-Y227 WeakPolarHBondContact O-CD2 3.48Å; G223-Y227 PolarHBondContact O-N 3.02Å
224G94.1Very high95Very high0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-55.6-47.1175.700000113.3V219 V222 Y227 C228V219-G224 PolarHBondContact O-N 3.12Å; V219-G224 VanDerWaalsContact O-N 3.13Å; V222-G224 PolarHBondContact O-N 3.14Å; G224-Y227 PolarHBondContact O-N 2.88Å; G224-C228 PolarHBondContact O-N 3.14Å; G224-C228 PolarHBondContact O-SG 3.37Å
225A96Very high95Very high0 Ų021.4 Ų21.40%011%0.11CC..Hα-helixtrans-65-41.7176.400000112.2F197 M213 D221 V222 G223 Y227 C228 G229 M230F197-A225 HydrophobicContact CD1-CB 4.17Å; F197-A225 HydrophobicContact CE1-CB 3.89Å; F197-A225 HydrophobicContact CZ-CB 4.2Å; M213-A225 HydrophobicContact CB-CB 3.36Å; M213-A225 HydrophobicContact CG-CB 3.78Å; D221-A225 VanDerWaalsContact O-CB 3.25Å; D221-A225 WeakPolarHBondContact O-CB 3.28Å; D221-A225 PolarHBondContact O-N 3.49Å; V222-A225 PolarHBondContact O-N 2.95Å; G223-A225 PolarHBondContact O-N 2.85Å; A225-Y227 PolarHBondContact O-N 2.73Å; A225-C228 WeakPolarHBondContact O-CA 3.45Å; A225-C228 VanDerWaalsContact O-CB 3.3Å; A225-C228 WeakPolarHBondContact O-CB 3.22Å; A225-C228 PolarHBondContact O-N 3.11Å; A225-G229 PolarHBondContact O-N 3.32Å; A225-M230 HydrophobicContact CB-CB 4.06Å; A225-M230 HydrophobicContact CB-CE 4.22Å; A225-M230 HydrophobicContact CB-SD 3.9Å; A225-M230 WeakPolarHBondContact O-CB 3.33Å; A225-M230 PolarHBondContact O-N 3.14Å
226Q95.9Very high94.9Very high52 Ų5226.1 Ų26.124%0.24313%0.127CC..Hα-helixtrans-63.5-38.6177.9-75.4178.3-26.200112.7V222 G223 C228 G229 M230 I251 D253V222-Q226 WeakPolarHBondContact O-CB 3.3Å; V222-Q226 VanDerWaalsContact O-CG 3.29Å; V222-Q226 WeakPolarHBondContact O-CG 3.29Å; V222-Q226 PolarHBondContact O-N 2.87Å; G223-Q226 PolarHBondContact O-N 3.32Å; Q226-C228 PolarHBondContact O-N 3.19Å; Q226-G229 PolarHBondContact O-N 2.86Å; Q226-M230 WeakPolarHBondContact CA-O 3.37Å; Q226-I251 PolarHBondContact NE2-O 2.94Å; Q226-I251 PolarHBondContact OE1-O 2.8Å; Q226-D253 PolarHBondContact NE2-OD2 2.89Å
227Y94.6Very high94.9Very high162 Ų16227.3 Ų27.364%0.63514%0.135SC*.Hα-helixtrans-61.7-21.9172.9-74.5-59.1000112.9G223 G224 A225 G229G223-Y227 WeakPolarHBondContact O-CD2 3.48Å; G223-Y227 PolarHBondContact O-N 3.02Å; G224-Y227 PolarHBondContact O-N 2.88Å; A225-Y227 PolarHBondContact O-N 2.73Å; Y227-G229 VanDerWaalsContact C-N 3.34Å
228C93.4Very high94.8Very high16 Ų1627.7 Ų27.711%0.10815%0.145CC..THydrogen-bonded Turntrans-86.7-3.9173.5-57.70000113.6P194 F197 P208 G224 A225 Q226 M230P194-C228 WeakPolarHBondContact CA-SG 3.42Å; F197-C228 HydrophobicContact CB-CB 4.27Å; P208-C228 WeakPolarHBondContact CB-O 3.49Å; P208-C228 VanDerWaalsContact CG-O 3.23Å; P208-C228 WeakPolarHBondContact CG-O 3.45Å; G224-C228 PolarHBondContact O-N 3.14Å; G224-C228 PolarHBondContact O-SG 3.37Å; A225-C228 WeakPolarHBondContact O-CA 3.45Å; A225-C228 VanDerWaalsContact O-CB 3.3Å; A225-C228 WeakPolarHBondContact O-CB 3.22Å; A225-C228 PolarHBondContact O-N 3.11Å; Q226-C228 PolarHBondContact O-N 3.19Å; C228-M230 HydrophobicContact CB-CG 4.41Å
229G94.1Very high94.5Very high34 Ų3431.6 Ų31.635%0.35116%0.161SC..THydrogen-bonded Turntrans83.414-174.600000114.3A225 Q226 Y227A225-G229 PolarHBondContact O-N 3.32Å; Q226-G229 PolarHBondContact O-N 2.86Å; Y227-G229 VanDerWaalsContact C-N 3.34Å
230M95.6Very high94.4Very high7 Ų730 Ų303%0.03415%0.149CC..  trans-82.2166168.8-55.8170.159.100110.7I17 F197 L201 P208 A211 M213 A225 Q226 C228I17-M230 HydrophobicContact CB-CE 4.44Å; I17-M230 HydrophobicContact CD1-CE 3.65Å; I17-M230 HydrophobicContact CD1-SD 4.43Å; I17-M230 HydrophobicContact CG1-CE 4.22Å; F197-M230 HydrophobicContact CB-SD 4.12Å; F197-M230 HydrophobicContact CD1-SD 4.04Å; F197-M230 HydrophobicContact CG-SD 4.36Å; L201-M230 HydrophobicContact CD1-CG 4.11Å; L201-M230 HydrophobicContact CD1-SD 4.01Å; L201-M230 HydrophobicContact CD2-SD 4.37Å; L201-M230 HydrophobicContact CG-SD 4.36Å; P208-M230 HydrophobicContact CB-CG 3.93Å; P208-M230 WeakPolarHBondContact O-CA 3.19Å; P208-M230 WeakPolarHBondContact O-CG 3.33Å; A211-M230 HydrophobicContact CB-CE 3.95Å; M213-M230 HydrophobicContact CB-CE 3.95Å; A225-M230 HydrophobicContact CB-CB 4.06Å; A225-M230 HydrophobicContact CB-CE 4.22Å; A225-M230 HydrophobicContact CB-SD 3.9Å; A225-M230 WeakPolarHBondContact O-CB 3.33Å; A225-M230 PolarHBondContact O-N 3.14Å; Q226-M230 WeakPolarHBondContact CA-O 3.37Å; C228-M230 HydrophobicContact CB-CG 4.41Å
231K95.1Very high94.4Very high64 Ų6434.9 Ų34.928%0.27817%0.167SC..EExtended strand (participates in β ladder)trans-87.5148.3162.8-68.6-173.4173.9-148.10110.5C9 L212 M213 D253C9-K231 HydrophobicContact CB-CD 4Å; C9-K231 WeakPolarHBondContact SG-CD 3.49Å; C9-K231 VanDerWaalsContact SG-CE 3.57Å; C9-K231 PolarHBondContact SG-NZ 3.36Å; L212-K231 HydrophobicContact CD1-CB 3.63Å; M213-K231 PolarHBondContact N-O 3.04Å; K231-D253 WeakPolarHBondContact CA-OD2 3.08Å
232G96.1Very high94.2Very high0 Ų039.1 Ų39.10%019%0.194CC..EExtended strand (participates in β ladder)trans-128.5125.2178.800000112.4M213 D253M213-G232 CarbonylContact O-C 3.56Å; M213-G232 WeakPolarHBondContact O-CA 3.36Å; G232-D253 PolarHBondContact N-OD2 3.32Å; G232-D253 WeakPolarHBondContact O-CB 3.44Å; G232-D253 PolarHBondContact O-N 2.9Å
233V96.8Very high93.9Very high1 Ų142.5 Ų42.51%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-108.4127.5173.6168.20000108.9W6 L212 M213 I214 G215 A254 V256W6-V233 HydrophobicContact CE3-CG2 4.27Å; W6-V233 HydrophobicContact CZ3-CG2 4.4Å; L212-V233 HydrophobicContact CD1-CG2 3.89Å; L212-V233 HydrophobicContact CD2-CG2 4.27Å; L212-V233 HydrophobicContact CG-CG2 4.45Å; M213-V233 PolarHBondContact O-N 2.97Å; I214-V233 WeakPolarHBondContact CA-O 3.23Å; I214-V233 HydrophobicContact CG1-CB 4.32Å; G215-V233 PolarHBondContact N-O 3.29Å; G215-V233 VanDerWaalsContact N-O 3.09Å; V233-A254 WeakPolarHBondContact CA-O 3.48Å; V233-A254 HydrophobicContact CG1-CB 4.47Å; V233-A254 HydrophobicContact CG2-CB 3.96Å; V233-V256 HydrophobicContact CG1-CG1 4.31Å; V233-V256 HydrophobicContact CG1-CG2 3.73Å
234Q97.4Very high93.6Very high3 Ų343.9 Ų43.91%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-91.4132.8174.8-159.8-178.19.800110.5G215 D216 V222 Y240 D244 A252 A254 T255 V256G215-Q234 CarbonylContact O-C 3.49Å; G215-Q234 VanDerWaalsContact O-CA 3.3Å; G215-Q234 WeakPolarHBondContact O-CA 3.43Å; D216-Q234 PolarHBondContact O-NE2 2.86Å; V222-Q234 HydrophobicContact CG2-CB 4.09Å; V222-Q234 HydrophobicContact CG2-CG 4.44Å; Q234-Y240 HydrophobicContact CG-CD2 4.4Å; Q234-D244 PolarHBondContact NE2-OD2 3.16Å; Q234-A252 HydrophobicContact CB-CB 3.94Å; Q234-A254 PolarHBondContact N-O 3.16Å; Q234-T255 CarbonylContact O-C 3.58Å; Q234-T255 VanDerWaalsContact O-CA 3.25Å; Q234-T255 WeakPolarHBondContact O-CA 3.19Å; Q234-V256 PolarHBondContact O-N 3.17Å
235V97.6Very high93.3Very high0 Ų049.5 Ų49.50%025%0.251CS..EExtended strand (participates in β ladder)trans-89.8154.1167.5-610000110.7V23 I214 G215 D216 T237 Y240 V256V23-V235 HydrophobicContact CG2-CG2 3.85Å; I214-V235 HydrophobicContact CG2-CG1 3.61Å; G215-V235 PolarHBondContact O-N 3.01Å; D216-V235 HydrophobicContact CB-CG2 3.88Å; V235-T237 VanDerWaalsContact C-N 3.32Å; V235-T237 WeakPolarHBondContact CG2-OG1 3.37Å; V235-Y240 WeakPolarHBondContact O-CB 2.9Å; V235-V256 CarbonylContact C-O 3.49Å; V235-V256 VanDerWaalsContact CA-O 3.3Å; V235-V256 WeakPolarHBondContact CA-O 3.4Å; V235-V256 HydrophobicContact CG1-CG2 4.01Å
236R96.2Very high93.1Very high99 Ų9959.3 Ų59.337%0.37429%0.288SS..SBendtrans-85.5-1.9176.3-67.1-174.3174.9107.15.6114.3Y240 E245 T255 V256 D257R236-Y240 HydrophobicContact CB-CD1 3.95Å; R236-Y240 HydrophobicContact CB-CE1 4.28Å; R236-Y240 HydrophobicContact CB-CG 4.21Å; R236-Y240 HydrophobicContact CG-CD1 4.01Å; R236-Y240 HydrophobicContact CG-CD2 4.3Å; R236-Y240 HydrophobicContact CG-CE1 3.9Å; R236-Y240 HydrophobicContact CG-CE2 4.2Å; R236-Y240 HydrophobicContact CG-CG 4.22Å; R236-E245 IonicContact NH2-OE1 2.7Å; R236-T255 HydrophobicContact CG-CG2 3.79Å; R236-V256 WeakPolarHBondContact CG-O 3.28Å; R236-V256 PolarHBondContact N-O 3.29Å; R236-D257 IonicContact CZ-OD1 2.85Å; R236-D257 PolarHBondContact N-O 3.08Å; R236-D257 IonicContact NH1-OD1 3.54Å; R236-D257 PolarHBondContact NH1-OD1 3.01Å
237T93.9Very high92.9Very high29 Ų2959.5 Ų59.518%0.17829%0.289CS..SBendtrans-78.6170.3170.946.70000111.2G22 I35 D216 V235 K239 N258G22-T237 CarbonylContact O-C 3.43Å; G22-T237 WeakPolarHBondContact O-CB 3.27Å; G22-T237 PolarHBondContact O-OG1 2.94Å; I35-T237 HydrophobicContact CD1-CG2 4.38Å; I35-T237 HydrophobicContact CG2-CG2 4.06Å; D216-T237 WeakPolarHBondContact CB-O 3.27Å; V235-T237 VanDerWaalsContact C-N 3.32Å; V235-T237 WeakPolarHBondContact CG2-OG1 3.37Å; T237-K239 PolarHBondContact O-N 2.75Å; T237-N258 HydrophobicContact CG2-CB 3.98Å
238G90.3Very high92.7Very high32 Ų3257.3 Ų57.333%0.3330%0.295SS..THydrogen-bonded Turntrans64.9-125.8176.200000115.7D216 Y240 R241D216-G238 WeakPolarHBondContact OD2-CA 3.43Å; G238-Y240 VanDerWaalsContact C-N 3.33Å; G238-Y240 PolarHBondContact O-N 3.32Å; G238-R241 PolarHBondContact O-NH1 3.31Å
239K87.9Confident92.6Very high87 Ų8761.4 Ų61.438%0.37832%0.319SS..THydrogen-bonded Turntrans-77.3-11.5-173.6-68.8-179.4-169.71780114.4D216 D217 T237 R241D216-K239 WeakPolarHBondContact OD2-CB 3.12Å; D216-K239 WeakPolarHBondContact OD2-CG 3.34Å; D216-K239 PolarHBondContact OD2-N 2.73Å; D217-K239 HydrophobicContact CB-CD 4.25Å; D217-K239 IonicContact OD2-NZ 3.71Å; D217-K239 PolarHBondContact OD2-NZ 3.42Å; T237-K239 PolarHBondContact O-N 2.75Å; K239-R241 PolarHBondContact O-N 2.99Å; K239-R241 PolarHBondContact O-NH1 3.46Å
240Y91.3Very high92.6Very high26 Ų2660 Ų6010%0.10230%0.304CS..  trans-47.6135-178.3172.5-95.4000113.1Q234 V235 R236 G238 D244 E245 T255Q234-Y240 HydrophobicContact CG-CD2 4.4Å; V235-Y240 WeakPolarHBondContact O-CB 2.9Å; R236-Y240 HydrophobicContact CB-CD1 3.95Å; R236-Y240 HydrophobicContact CB-CE1 4.28Å; R236-Y240 HydrophobicContact CB-CG 4.21Å; R236-Y240 HydrophobicContact CG-CD1 4.01Å; R236-Y240 HydrophobicContact CG-CD2 4.3Å; R236-Y240 HydrophobicContact CG-CE1 3.9Å; R236-Y240 HydrophobicContact CG-CE2 4.2Å; R236-Y240 HydrophobicContact CG-CG 4.22Å; G238-Y240 VanDerWaalsContact C-N 3.33Å; G238-Y240 PolarHBondContact O-N 3.32Å; Y240-D244 HydrophobicContact CE2-CB 4.46Å; Y240-E245 PolarHBondContact OH-OE1 3.16Å; Y240-T255 HydrophobicContact CE2-CG2 4.04Å
241R90.1Very high92.6Very high118 Ų11866 Ų6645%0.44534%0.335SS..  trans-130.6149.4169.9-60.3-63.2175.9-97.5-2.8110.5G238 K239 S243 D244G238-R241 PolarHBondContact O-NH1 3.31Å; K239-R241 PolarHBondContact O-N 2.99Å; K239-R241 PolarHBondContact O-NH1 3.46Å; R241-S243 WeakPolarHBondContact CB-OG 3.44Å; R241-S243 PolarHBondContact O-N 3.44Å; R241-D244 PolarHBondContact N-OD2 3.22Å; R241-D244 WeakPolarHBondContact O-CB 3.04Å; R241-D244 PolarHBondContact O-N 2.84Å
242P91.1Very high92.6Very high91 Ų9163.8 Ų63.859%0.59133%0.328SS*.THydrogen-bonded Turntrans-57.6-19.4173.8-25.634.5000114.6D244P242-D244 VanDerWaalsContact C-N 3.25Å; P242-D244 PolarHBondContact O-N 3.48Å
243S90.1Very high92.5Very high70 Ų7066.7 Ų66.749%0.4934%0.344SS..THydrogen-bonded Turntrans-66.9-25.1171.847.40000113.6R241 E245 R246 H247R241-S243 WeakPolarHBondContact CB-OG 3.44Å; R241-S243 PolarHBondContact O-N 3.44Å; S243-E245 VanDerWaalsContact C-N 3.27Å; S243-E245 PolarHBondContact O-N 3.12Å; S243-R246 CarbonylContact O-C 3.17Å; S243-R246 PolarHBondContact O-N 3.03Å; S243-H247 PolarHBondContact O-N 3.4Å
244D88.8Confident92.4Very high30 Ų3067.2 Ų67.216%0.1635%0.348CS..G310 helixtrans-63.9-34.3-176.9-62.9-6.6000111.1L218 Q234 Y240 R241 P242 R246 H247L218-D244 HydrophobicContact CB-CB 4.41Å; L218-D244 HydrophobicContact CD2-CB 3.8Å; L218-D244 VanDerWaalsContact CD2-O 3.3Å; L218-D244 WeakPolarHBondContact CD2-O 3.42Å; Q234-D244 PolarHBondContact NE2-OD2 3.16Å; Y240-D244 HydrophobicContact CE2-CB 4.46Å; R241-D244 PolarHBondContact N-OD2 3.22Å; R241-D244 WeakPolarHBondContact O-CB 3.04Å; R241-D244 PolarHBondContact O-N 2.84Å; P242-D244 VanDerWaalsContact C-N 3.25Å; P242-D244 PolarHBondContact O-N 3.48Å; D244-R246 PolarHBondContact O-N 2.99Å; D244-H247 VanDerWaalsContact O-CB 3.25Å; D244-H247 WeakPolarHBondContact O-CB 3.1Å; D244-H247 PolarHBondContact O-N 2.97Å
245E88Confident92.3Very high119 Ų11969.1 Ų69.156%0.55636%0.36SS*.G310 helixtrans-61.4-17.3174.6-60.5-173.3171.800113.3R236 Y240 S243R236-E245 IonicContact NH2-OE1 2.7Å; Y240-E245 PolarHBondContact OH-OE1 3.16Å; S243-E245 VanDerWaalsContact C-N 3.27Å; S243-E245 PolarHBondContact O-N 3.12Å
246R90.2Very high92.2Very high206 Ų20669.3 Ų69.378%0.77736%0.361SS*.G310 helixtrans-116.918.3178.4-62.1-177-68.3-163.5-2.3112.1S243 D244S243-R246 CarbonylContact O-C 3.17Å; S243-R246 PolarHBondContact O-N 3.03Å; D244-R246 PolarHBondContact O-N 2.99Å
247H91.8Very high92.2Very high55 Ų5568.2 Ų68.226%0.25536%0.363SS..  trans-59.5135.2179.1-170.9-89.1000110.2L218 S243 D244 T249 V250L218-H247 HydrophobicContact CD2-CB 3.43Å; L218-H247 VanDerWaalsContact CD2-CB 3.43Å; S243-H247 PolarHBondContact O-N 3.4Å; D244-H247 VanDerWaalsContact O-CB 3.25Å; D244-H247 WeakPolarHBondContact O-CB 3.1Å; D244-H247 PolarHBondContact O-N 2.97Å; H247-T249 VanDerWaalsContact C-N 3.28Å; H247-T249 PolarHBondContact CE1-OG1 3.19Å; H247-T249 VanDerWaalsContact CE1-OG1 3.24Å; H247-T249 PolarHBondContact ND1-N 3.12Å; H247-T249 PolarHBondContact O-N 3.11Å; H247-V250 PolarHBondContact ND1-N 2.97Å
248P91Very high92.4Very high117 Ų11768.9 Ų68.976%0.7637%0.366SS*.SBendtrans-70.1-22.3-166.425.7-36000114.4
249T92.1Very high92.8Very high101 Ų10167.4 Ų67.462%0.6235%0.35SS*.SBendtrans-132.8-9.6-168.856.50000115.1H247H247-T249 VanDerWaalsContact C-N 3.28Å; H247-T249 PolarHBondContact CE1-OG1 3.19Å; H247-T249 VanDerWaalsContact CE1-OG1 3.24Å; H247-T249 PolarHBondContact ND1-N 3.12Å; H247-T249 PolarHBondContact O-N 3.11Å
250V94.1Very high93.3Very high6 Ų664.3 Ų64.34%0.03634%0.34CS..  trans-132.7127.1-176.2-1760000107.2L218 H247L218-V250 HydrophobicContact CD1-CG1 3.88Å; L218-V250 HydrophobicContact CD2-CB 4.44Å; L218-V250 HydrophobicContact CG-CB 4.22Å; L218-V250 HydrophobicContact CG-CG1 3.89Å; L218-V250 WeakPolarHBondContact O-CG1 3.22Å; H247-V250 PolarHBondContact ND1-N 2.97Å
251I94.8Very high93.5Very high132 Ų13266.3 Ų66.368%0.67735%0.351SS*.  trans-131.6117-179.6-57.2174.8000106.2Q226Q226-I251 PolarHBondContact NE2-O 2.94Å; Q226-I251 PolarHBondContact OE1-O 2.8Å
252A95.3Very high93.8Very high18 Ų1860.7 Ų60.715%0.14933%0.329CS..  trans-62.6145.1177.100000111.1L218 V222 Q234 A254L218-A252 HydrophobicContact CD1-CB 4.04Å; V222-A252 HydrophobicContact CG1-CB 3.73Å; Q234-A252 HydrophobicContact CB-CB 3.94Å; A252-A254 WeakPolarHBondContact CB-O 3.21Å; A252-A254 PolarHBondContact O-N 3.26Å
253D94.1Very high94.1Very high60 Ų6056.4 Ų56.432%0.32130%0.301SS..SBendtrans-63.1-27.7173.8-67.9-93.9000111.3Q226 K231 G232Q226-D253 PolarHBondContact NE2-OD2 2.89Å; K231-D253 WeakPolarHBondContact CA-OD2 3.08Å; G232-D253 PolarHBondContact N-OD2 3.32Å; G232-D253 WeakPolarHBondContact O-CB 3.44Å; G232-D253 PolarHBondContact O-N 2.9Å
254A93.8Very high94.3Very high12 Ų1257 Ų5710%0.09930%0.299CS..EExtended strand (participates in β ladder)trans-156.9162.7168.100000112W6 V233 Q234 A252W6-A254 HydrophobicContact CB-CB 4.32Å; W6-A254 HydrophobicContact CD2-CB 3.91Å; W6-A254 HydrophobicContact CG-CB 3.6Å; W6-A254 HydrophobicContact CZ2-CB 4.42Å; W6-A254 VanDerWaalsContact NE1-CB 3.28Å; V233-A254 WeakPolarHBondContact CA-O 3.48Å; V233-A254 HydrophobicContact CG1-CB 4.47Å; V233-A254 HydrophobicContact CG2-CB 3.96Å; Q234-A254 PolarHBondContact N-O 3.16Å; A252-A254 WeakPolarHBondContact CB-O 3.21Å; A252-A254 PolarHBondContact O-N 3.26Å
255T95.2Very high94.5Very high44 Ų4457.1 Ų57.127%0.2730%0.301SS..EExtended strand (participates in β ladder)trans-125128.6168.2-51.40000109.6Q234 R236 Y240Q234-T255 CarbonylContact O-C 3.58Å; Q234-T255 VanDerWaalsContact O-CA 3.25Å; Q234-T255 WeakPolarHBondContact O-CA 3.19Å; R236-T255 HydrophobicContact CG-CG2 3.79Å; Y240-T255 HydrophobicContact CE2-CG2 4.04Å
256V96.1Very high94.7Very high3 Ų351.4 Ų51.42%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-128.7163.6-179.7-62.80000110.3W6 V233 Q234 V235 R236 H261 A262W6-V256 HydrophobicContact CH2-CG1 4.5Å; W6-V256 HydrophobicContact CZ2-CG1 3.89Å; V233-V256 HydrophobicContact CG1-CG1 4.31Å; V233-V256 HydrophobicContact CG1-CG2 3.73Å; Q234-V256 PolarHBondContact O-N 3.17Å; V235-V256 CarbonylContact C-O 3.49Å; V235-V256 VanDerWaalsContact CA-O 3.3Å; V235-V256 WeakPolarHBondContact CA-O 3.4Å; V235-V256 HydrophobicContact CG1-CG2 4.01Å; R236-V256 WeakPolarHBondContact CG-O 3.28Å; R236-V256 PolarHBondContact N-O 3.29Å; V256-H261 HydrophobicContact CB-CB 4.44Å; V256-A262 HydrophobicContact CG2-CB 3.83Å
257D97Very high94.7Very high77 Ų7743.3 Ų43.341%0.41225%0.246SC..SBendtrans-72.9-38.1-170.3-55.7-49.9000113R236 H261R236-D257 IonicContact CZ-OD1 2.85Å; R236-D257 PolarHBondContact N-O 3.08Å; R236-D257 IonicContact NH1-OD1 3.54Å; R236-D257 PolarHBondContact NH1-OD1 3.01Å; D257-H261 PolarHBondContact N-ND1 2.94Å; D257-H261 IonicContact OD2-CE1 3.96Å; D257-H261 IonicContact OD2-ND1 3.25Å; D257-H261 PolarHBondContact OD2-ND1 3.5Å
258N97.8Very high94.6Very high43 Ų4342.2 Ų42.223%0.2325%0.25CC..SBendtrans-161.9-179.7179.458.238.8000110.5I35 T237 A260 H261 A262I35-N258 HydrophobicContact CG2-CB 4.4Å; T237-N258 HydrophobicContact CG2-CB 3.98Å; N258-A260 VanDerWaalsContact C-N 3.32Å; N258-A260 PolarHBondContact O-N 3.03Å; N258-A260 WeakPolarHBondContact OD1-CB 3.21Å; N258-A260 PolarHBondContact OD1-N 3.17Å; N258-A260 VanDerWaalsContact OD1-N 3.08Å; N258-H261 PolarHBondContact O-N 2.95Å; N258-H261 PolarHBondContact OD1-N 3.41Å; N258-A262 PolarHBondContact O-N 3.32Å; N258-A262 VanDerWaalsContact O-N 3.14Å
259L98.4Very high94.1Very high1 Ų139.3 Ų39.31%0.00523%0.226CC..Hα-helixtrans-59.2-39178.4-178.861.2000113.2L18 V23 L24 A41 V42 I214 H261 A262 V263L18-L259 HydrophobicContact CD1-CD1 4.09Å; L18-L259 HydrophobicContact CD1-CD2 4.1Å; L18-L259 HydrophobicContact CD2-CD1 3.66Å; V23-L259 HydrophobicContact CG1-CB 4.14Å; V23-L259 HydrophobicContact CG1-CD1 4.2Å; V23-L259 HydrophobicContact CG1-CD2 4.38Å; V23-L259 HydrophobicContact CG1-CG 4.47Å; L24-L259 HydrophobicContact CD1-CD2 3.79Å; L24-L259 HydrophobicContact CG-CD2 4.18Å; A41-L259 HydrophobicContact CB-CD2 4.12Å; A41-L259 HydrophobicContact CB-CG 3.88Å; V42-L259 HydrophobicContact CG2-CD2 4.09Å; I214-L259 HydrophobicContact CD1-CD1 4.24Å; I214-L259 HydrophobicContact CG2-CD1 4.34Å; L259-H261 PolarHBondContact O-N 2.85Å; L259-A262 WeakPolarHBondContact O-CB 3.48Å; L259-A262 PolarHBondContact O-N 3.01Å; L259-V263 HydrophobicContact CD1-CG2 4.15Å; L259-V263 HydrophobicContact CG-CG2 4.4Å; L259-V263 WeakPolarHBondContact O-CG2 3.32Å; L259-V263 PolarHBondContact O-N 3.48Å
260A98.1Very high93.4Very high21 Ų2136.9 Ų36.917%0.17421%0.205CC..Hα-helixtrans-62.3-45.1-179.600000111.7N258 A262 V263 D264N258-A260 VanDerWaalsContact C-N 3.32Å; N258-A260 PolarHBondContact O-N 3.03Å; N258-A260 WeakPolarHBondContact OD1-CB 3.21Å; N258-A260 PolarHBondContact OD1-N 3.17Å; N258-A260 VanDerWaalsContact OD1-N 3.08Å; A260-A262 VanDerWaalsContact C-N 3.34Å; A260-A262 PolarHBondContact O-N 3.39Å; A260-V263 PolarHBondContact O-N 2.84Å; A260-D264 PolarHBondContact O-N 3.48Å
261H96.8Very high92Very high69 Ų6939.2 Ų39.232%0.31923%0.231SC..Hα-helixtrans-59.8-43.6173.4-178.1-178000110.9V256 D257 N258 L259 V263 D264 V265V256-H261 HydrophobicContact CB-CB 4.44Å; D257-H261 PolarHBondContact N-ND1 2.94Å; D257-H261 IonicContact OD2-CE1 3.96Å; D257-H261 IonicContact OD2-ND1 3.25Å; D257-H261 PolarHBondContact OD2-ND1 3.5Å; N258-H261 PolarHBondContact O-N 2.95Å; N258-H261 PolarHBondContact OD1-N 3.41Å; L259-H261 PolarHBondContact O-N 2.85Å; H261-V263 PolarHBondContact O-N 2.84Å; H261-D264 PolarHBondContact O-N 3.42Å; H261-V265 PolarHBondContact O-N 2.92Å; H261-V265 VanDerWaalsContact O-N 3.17Å
262A96.1Very high90.1Very high0 Ų042.7 Ų42.70%024%0.236CC..Hα-helixtrans-56.8-48.7176.500000112I214 V256 N258 L259 A260 V265 I266I214-A262 HydrophobicContact CD1-CB 3.88Å; V256-A262 HydrophobicContact CG2-CB 3.83Å; N258-A262 PolarHBondContact O-N 3.32Å; N258-A262 VanDerWaalsContact O-N 3.14Å; L259-A262 WeakPolarHBondContact O-CB 3.48Å; L259-A262 PolarHBondContact O-N 3.01Å; A260-A262 VanDerWaalsContact C-N 3.34Å; A260-A262 PolarHBondContact O-N 3.39Å; A262-V265 PolarHBondContact O-N 3.01Å; A262-I266 WeakPolarHBondContact O-CD1 3.38Å; A262-I266 VanDerWaalsContact O-CG1 3.25Å; A262-I266 WeakPolarHBondContact O-CG1 3.42Å; A262-I266 PolarHBondContact O-N 2.97Å
263V96Very high87.9Confident0 Ų044.7 Ų44.70%026%0.258CS..Hα-helixtrans-65.9-38.4-179172.30000112.1A41 R44 L45 L259 A260 H261 V265 I266 L267A41-V263 HydrophobicContact CB-CB 4.14Å; A41-V263 HydrophobicContact CB-CG2 3.84Å; R44-V263 HydrophobicContact CB-CG1 4.21Å; L45-V263 HydrophobicContact CD1-CG2 3.61Å; L45-V263 HydrophobicContact CD2-CG1 4.45Å; L45-V263 HydrophobicContact CD2-CG2 4.06Å; L45-V263 HydrophobicContact CG-CG1 4.28Å; L45-V263 HydrophobicContact CG-CG2 3.69Å; L259-V263 HydrophobicContact CD1-CG2 4.15Å; L259-V263 HydrophobicContact CG-CG2 4.4Å; L259-V263 WeakPolarHBondContact O-CG2 3.32Å; L259-V263 PolarHBondContact O-N 3.48Å; A260-V263 PolarHBondContact O-N 2.84Å; H261-V263 PolarHBondContact O-N 2.84Å; V263-V265 VanDerWaalsContact C-N 3.3Å; V263-V265 PolarHBondContact O-N 2.86Å; V263-I266 PolarHBondContact O-N 3.2Å; V263-L267 HydrophobicContact CG1-CD1 3.6Å; V263-L267 HydrophobicContact CG1-CG 4.03Å; V263-L267 WeakPolarHBondContact O-CB 3.33Å; V263-L267 WeakPolarHBondContact O-CG 3Å; V263-L267 PolarHBondContact O-N 2.83Å
264D94.9Very high85.3Confident82 Ų8249.5 Ų49.544%0.43931%0.306SS..Hα-helixtrans-59.1-41.9174.7-76.2-21000112.3R44 A260 H261 G268R44-D264 IonicContact CZ-OD1 3.84Å; R44-D264 VanDerWaalsContact CZ-OD1 3.25Å; R44-D264 IonicContact NH1-OD1 3.02Å; R44-D264 PolarHBondContact NH1-OD1 3.28Å; R44-D264 IonicContact NH2-OD1 3.79Å; R44-D264 PolarHBondContact NH2-OD1 2.65Å; A260-D264 PolarHBondContact O-N 3.48Å; H261-D264 PolarHBondContact O-N 3.42Å; D264-G268 WeakPolarHBondContact O-CA 3.46Å; D264-G268 PolarHBondContact O-N 3.46Å
265V92.4Very high84.9Confident33 Ų3351.4 Ų51.420%0.232%0.316CS..Hα-helixtrans-70.4-451771780000111.2W6 P7 H261 A262 V263 Q269W6-V265 HydrophobicContact CH2-CB 3.45Å; W6-V265 VanDerWaalsContact CH2-CB 3.45Å; W6-V265 HydrophobicContact CH2-CG1 3.31Å; W6-V265 HydrophobicContact CH2-CG2 4.25Å; W6-V265 HydrophobicContact CZ2-CB 3.66Å; W6-V265 HydrophobicContact CZ2-CG1 3.31Å; W6-V265 HydrophobicContact CZ2-CG2 4.02Å; W6-V265 HydrophobicContact CZ3-CB 4.35Å; W6-V265 HydrophobicContact CZ3-CG1 3.92Å; P7-V265 HydrophobicContact CG-CG1 4.45Å; H261-V265 PolarHBondContact O-N 2.92Å; H261-V265 VanDerWaalsContact O-N 3.17Å; A262-V265 PolarHBondContact O-N 3.01Å; V263-V265 VanDerWaalsContact C-N 3.3Å; V263-V265 PolarHBondContact O-N 2.86Å; V265-Q269 VanDerWaalsContact O-CG 3.26Å; V265-Q269 WeakPolarHBondContact O-CG 3.27Å; V265-Q269 PolarHBondContact O-N 3.48Å
266I92.4Very high84.3Confident0 Ų051.7 Ų51.70%032%0.319CS..Hα-helixtrans-59.2-55.9-179.4-68162.7000110.4W6 L50 L212 I214 A262 V263 Q269 R270W6-I266 HydrophobicContact CH2-CG1 4.36Å; W6-I266 HydrophobicContact CZ3-CG1 3.88Å; L50-I266 HydrophobicContact CD1-CG2 3.8Å; L212-I266 HydrophobicContact CD2-CD1 3.72Å; L212-I266 HydrophobicContact CD2-CG1 4.25Å; I214-I266 HydrophobicContact CD1-CD1 3.9Å; A262-I266 WeakPolarHBondContact O-CD1 3.38Å; A262-I266 VanDerWaalsContact O-CG1 3.25Å; A262-I266 WeakPolarHBondContact O-CG1 3.42Å; A262-I266 PolarHBondContact O-N 2.97Å; V263-I266 PolarHBondContact O-N 3.2Å; I266-Q269 PolarHBondContact O-N 3.26Å; I266-R270 WeakPolarHBondContact O-CG 3.44Å; I266-R270 PolarHBondContact O-N 2.88Å
267L91.8Very high83.7Confident35 Ų3554.4 Ų54.418%0.18334%0.335CS..Hα-helixtrans-74.3-33.3-175.1-60.5-177.2000112R44 L50 V263 Q269 R270 G271R44-L267 HydrophobicContact CB-CD1 3.88Å; L50-L267 HydrophobicContact CD1-CD2 4.35Å; V263-L267 HydrophobicContact CG1-CD1 3.6Å; V263-L267 HydrophobicContact CG1-CG 4.03Å; V263-L267 WeakPolarHBondContact O-CB 3.33Å; V263-L267 WeakPolarHBondContact O-CG 3Å; V263-L267 PolarHBondContact O-N 2.83Å; L267-Q269 VanDerWaalsContact C-N 3.28Å; L267-Q269 PolarHBondContact O-N 2.67Å; L267-R270 PolarHBondContact O-N 3.16Å; L267-G271 PolarHBondContact O-N 3.19Å
268G87.8Confident82.9Confident32 Ų3253.1 Ų53.133%0.3333%0.331SS..Hα-helixtrans-61.9-33176.300000113.6D264 R272D264-G268 WeakPolarHBondContact O-CA 3.46Å; D264-G268 PolarHBondContact O-N 3.46Å; G268-R272 WeakPolarHBondContact O-CG 3.12Å
269Q81.1Confident82Confident56 Ų5653.8 Ų53.826%0.26234%0.337SS..Hα-helixtrans-79.2-26.4176.4-67.5-66.6-15.600113.3P7 A10 K11 V265 I266 L267P7-Q269 HydrophobicContact CB-CG 3.83Å; A10-Q269 HydrophobicContact CB-CB 3.89Å; A10-Q269 HydrophobicContact CB-CG 4.45Å; K11-Q269 WeakPolarHBondContact CE-O 3.29Å; V265-Q269 VanDerWaalsContact O-CG 3.26Å; V265-Q269 WeakPolarHBondContact O-CG 3.27Å; V265-Q269 PolarHBondContact O-N 3.48Å; I266-Q269 PolarHBondContact O-N 3.26Å; L267-Q269 VanDerWaalsContact C-N 3.28Å; L267-Q269 PolarHBondContact O-N 2.67Å
270R78.6Confident80.9Confident50 Ų5057.3 Ų57.319%0.18936%0.359CS..Hα-helixtrans-75.5-37.1175.6-65.4176.985.884.2-4.3111.8A10 L13 D49 I266 L267A10-R270 PolarHBondContact O-NH1 3.3Å; L13-R270 PolarHBondContact O-NH1 3.19Å; L13-R270 PolarHBondContact O-NH2 3.36Å; D49-R270 IonicContact OD1-CZ 3.36Å; D49-R270 IonicContact OD1-NE 3.02Å; D49-R270 PolarHBondContact OD1-NE 3.17Å; D49-R270 IonicContact OD1-NH2 2.95Å; D49-R270 PolarHBondContact OD1-NH2 3.13Å; D49-R270 IonicContact OD2-CZ 3.71Å; D49-R270 IonicContact OD2-NE 3.96Å; D49-R270 IonicContact OD2-NH2 2.7Å; D49-R270 PolarHBondContact OD2-NH2 3.49Å; I266-R270 WeakPolarHBondContact O-CG 3.44Å; I266-R270 PolarHBondContact O-N 2.88Å; L267-R270 PolarHBondContact O-N 3.16Å
271G64.3Low79.6Confident56 Ų5659.9 Ų59.958%0.57737%0.372SS*.Hα-helixtrans-75.3-19.5179.500000116L267 G273L267-G271 PolarHBondContact O-N 3.19Å; G271-G273 PolarHBondContact O-N 3.28Å; G271-G273 VanDerWaalsContact O-N 3.13Å
272R54.5Low78.3Confident205 Ų20559.2 Ų59.277%0.77438%0.376SS*.THydrogen-bonded Turntrans-81.723.7-177.5-74.3177.9-178.7-172.72.2114.7G268G268-R272 WeakPolarHBondContact O-CG 3.12Å
273G48Very low76.8Confident60 Ų6064.1 Ų64.162%0.61941%0.408SS*.THydrogen-bonded Turntrans-146.912.1-177.600000115.4G271G271-G273 PolarHBondContact O-N 3.28Å; G271-G273 VanDerWaalsContact O-N 3.13Å
274A40.2Very low75.1Confident160 Ų16069.9 Ų69.9100%1.32245%0.445SS*.  trans-97.30169.500000110.3

Retrieved 274 of 274 residues in 191.6 ms (Link to these results)

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