A0A096NLS5_PAPAN Loading...

Serine/threonine-protein phosphatase CPPED1

Protein phosphatase that dephosphorylates AKT family kinase specifically at 'Ser-473', blocking cell cycle progression and promoting cell apoptosis. May play an inhibitory role in glucose uptake by adipocytes.

AlphaFold DB , UniProt , Accession A0A096NLS5, Species PAPAN (Papio anubis, Olive baboon), Gene CPPED1, Length 314 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
1M42.3Very low57.9Low183 Ų18373.2 Ų73.290%0.90146%0.456SS*.  01280-71.9-169.6-84.600106.2E5M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 WeakPolarHBondContact CB-OE2 3.3Å; M1-E5 VanDerWaalsContact CG-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.46Å
2S33Very low60.8Low70 Ų7072.8 Ų72.849%0.4944%0.439SS..  trans-77.5158-17569.70000110.1A4 E5 E6S2-A4 PolarHBondContact O-N 3.08Å; S2-A4 PolarHBondContact OG-N 2.71Å; S2-E5 PolarHBondContact N-OE2 2.92Å; S2-E5 PolarHBondContact O-N 2.65Å; S2-E6 PolarHBondContact O-N 3.48Å
3A34.7Very low63.6Low79 Ų7967.8 Ų67.865%0.65341%0.411SS*.Hα-helixtrans-54.7-17.8172.800000113.6G7A3-G7 PolarHBondContact O-N 3.39Å
4A34.7Very low65.8Low86 Ų8677.2 Ų77.271%0.71144%0.435SS*.Hα-helixtrans-76-25.2173.100000113.6S2S2-A4 PolarHBondContact O-N 3.08Å; S2-A4 PolarHBondContact OG-N 2.71Å
5E45.2Very low67.8Low106 Ų10676.1 Ų76.150%0.49545%0.447SS..Hα-helixtrans-80-29.5170.6-71.9179.6134.300111.6M1 S2 G7 G8M1-E5 WeakPolarHBondContact CA-OE2 3.48Å; M1-E5 WeakPolarHBondContact CB-OE2 3.3Å; M1-E5 VanDerWaalsContact CG-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.46Å; S2-E5 PolarHBondContact N-OE2 2.92Å; S2-E5 PolarHBondContact O-N 2.65Å; E5-G7 PolarHBondContact O-N 3.2Å; E5-G8 PolarHBondContact O-N 2.88Å; E5-G8 VanDerWaalsContact O-N 3.15Å
6E46.1Very low69.7Low93 Ų9375.6 Ų75.644%0.43544%0.435SS..Hα-helixtrans-65.8-35.5178.6-72-180155.800113S2 G8 R113S2-E6 PolarHBondContact O-N 3.48Å; E6-G8 VanDerWaalsContact C-N 3.25Å; E6-G8 PolarHBondContact O-N 3.48Å; E6-R113 IonicContact OE1-NH2 3.4Å
7G54.1Low71.3Confident31 Ų3175.7 Ų75.732%0.3244%0.438SS..Hα-helixtrans-71.5-13.8173.400000114.5A3 E5 H11A3-G7 PolarHBondContact O-N 3.39Å; E5-G7 PolarHBondContact O-N 3.2Å; G7-H11 WeakPolarHBondContact CA-ND1 3.37Å; G7-H11 VanDerWaalsContact O-CB 3.22Å; G7-H11 WeakPolarHBondContact O-CB 3.4Å; G7-H11 PolarHBondContact O-N 3.18Å; G7-H11 PolarHBondContact O-ND1 3.32Å
8G72.8Confident72.7Confident35 Ų3571.8 Ų71.836%0.36142%0.415SS..Hα-helixtrans-80-34.4-16800000115.4E5 E6 R12E5-G8 PolarHBondContact O-N 2.88Å; E5-G8 VanDerWaalsContact O-N 3.15Å; E6-G8 VanDerWaalsContact C-N 3.25Å; E6-G8 PolarHBondContact O-N 3.48Å; G8-R12 VanDerWaalsContact O-CG 3.25Å; G8-R12 WeakPolarHBondContact O-CG 3.33Å
9V87.8Confident73.8Confident58 Ų5872.7 Ų72.735%0.35242%0.418SS..Hα-helixtrans-90.7-36.1-173.71780000112L121V9-L121 HydrophobicContact CG1-CD1 4.06Å
10F94Very high74.8Confident5 Ų570.4 Ų70.42%0.02241%0.408CS..Hα-helixtrans-94.6-18.6-175.3-58.6-62.8000113.5K109 L112 R113 L121 L123 W146F10-K109 HydrophobicContact CD2-CD 4.13Å; F10-K109 HydrophobicContact CD2-CG 4.03Å; F10-K109 HydrophobicContact CE1-CG 4.36Å; F10-K109 HydrophobicContact CE2-CB 3.73Å; F10-K109 HydrophobicContact CE2-CD 4.14Å; F10-K109 HydrophobicContact CE2-CG 3.68Å; F10-K109 HydrophobicContact CZ-CB 3.84Å; F10-K109 HydrophobicContact CZ-CG 3.86Å; F10-K109 WeakPolarHBondContact CZ-O 3.46Å; F10-L112 HydrophobicContact CE1-CB 3.82Å; F10-L112 HydrophobicContact CE1-CD1 4.29Å; F10-L112 HydrophobicContact CZ-CB 4.05Å; F10-R113 HydrophobicContact CE2-CG 3.75Å; F10-R113 HydrophobicContact CZ-CG 3.83Å; F10-L121 HydrophobicContact CD1-CD1 4.2Å; F10-L121 HydrophobicContact CE1-CD1 3.76Å; F10-L123 HydrophobicContact CD1-CD1 4.17Å; F10-W146 HydrophobicContact CB-CE3 4.33Å; F10-W146 HydrophobicContact CD1-CE3 4.03Å; F10-W146 AromaticContact CD1-CZ3 3.82Å; F10-W146 HydrophobicContact CD1-CZ3 3.82Å; F10-W146 HydrophobicContact CE1-CZ3 4.09Å; F10-W146 HydrophobicContact CG-CE3 4.31Å; F10-W146 HydrophobicContact CG-CZ3 4.28Å; F10-W146 CarbonylContact O-C 3.57Å
11H92.8Very high75.8Confident59 Ų5968 Ų6827%0.27339%0.393SS..  trans-10630.6179.9-51.674.2000113.2G7 A13 Q144G7-H11 WeakPolarHBondContact CA-ND1 3.37Å; G7-H11 VanDerWaalsContact O-CB 3.22Å; G7-H11 WeakPolarHBondContact O-CB 3.4Å; G7-H11 PolarHBondContact O-N 3.18Å; G7-H11 PolarHBondContact O-ND1 3.32Å; H11-A13 VanDerWaalsContact C-N 3.27Å; H11-A13 PolarHBondContact O-N 3.4Å; H11-Q144 PolarHBondContact NE2-O 2.9Å
12R92.3Very high78.2Confident69 Ų6961.4 Ų61.426%0.2636%0.364SS..  trans-67.8-29.6177.2-69.6-171.1169-852.5112.6G8 R14 L18 D19G8-R12 VanDerWaalsContact O-CG 3.25Å; G8-R12 WeakPolarHBondContact O-CG 3.33Å; R12-R14 PolarHBondContact O-N 3.18Å; R12-L18 HydrophobicContact CB-CD1 3.67Å; R12-D19 WeakPolarHBondContact CB-OD1 3.33Å; R12-D19 WeakPolarHBondContact CD-OD1 3.41Å; R12-D19 WeakPolarHBondContact CG-OD1 3.4Å; R12-D19 IonicContact CZ-OD1 3.97Å; R12-D19 IonicContact NH1-OD1 3.51Å; R12-D19 PolarHBondContact NH1-OD1 3.31Å; R12-D19 IonicContact NH1-OD2 2.9Å; R12-D19 PolarHBondContact O-N 3.2Å
13A96.5Very high80.9Confident8 Ų860 Ų607%0.06636%0.357CS..EExtended strand (participates in β ladder)trans-78.8105171.200000108.9H11 T17 L18 G147 D148 F151H11-A13 VanDerWaalsContact C-N 3.27Å; H11-A13 PolarHBondContact O-N 3.4Å; A13-T17 CarbonylContact C-O 3.54Å; A13-T17 VanDerWaalsContact CA-O 3.31Å; A13-T17 WeakPolarHBondContact CA-O 3.18Å; A13-L18 HydrophobicContact CB-CD1 4.3Å; A13-G147 WeakPolarHBondContact O-CA 3.43Å; A13-D148 HydrophobicContact CB-CB 4.28Å; A13-D148 PolarHBondContact O-N 3.37Å; A13-F151 HydrophobicContact CB-CD1 3.68Å; A13-F151 HydrophobicContact CB-CD2 4.25Å; A13-F151 HydrophobicContact CB-CE1 3.52Å; A13-F151 HydrophobicContact CB-CE2 4.11Å; A13-F151 HydrophobicContact CB-CG 4.05Å; A13-F151 HydrophobicContact CB-CZ 3.73Å
14R95.3Very high83.6Confident199 Ų19963.2 Ų63.275%0.75136%0.358SS*.EExtended strand (participates in β ladder)trans-150.3139.4-178.9-172.6177.8179.9-178.41.9111R12 R16 T17 D148R12-R14 PolarHBondContact O-N 3.18Å; R14-R16 VanDerWaalsContact C-N 3.26Å; R14-R16 PolarHBondContact O-N 2.82Å; R14-T17 PolarHBondContact N-O 3.14Å; R14-T17 PolarHBondContact O-N 2.66Å; R14-T17 PolarHBondContact O-OG1 3.39Å; R14-D148 VanDerWaalsContact CA-OD2 3.3Å; R14-D148 WeakPolarHBondContact CA-OD2 3.25Å
15G96.2Very high86.3Confident60 Ų6065.2 Ų65.262%0.61935%0.351SS*.THydrogen-bonded Turntrans65.732.3179.700000112.6T17 D148G15-T17 PolarHBondContact O-N 3.02Å; G15-D148 PolarHBondContact N-OD2 3.28Å
16R97.8Very high88.7Confident68 Ų6861.7 Ų61.726%0.25733%0.334SS..THydrogen-bonded Turntrans60.625.9-176.4-49.7-58.7178.8-178.8-1.7113.7R14 D148 D149 Y150 F151 S152R14-R16 VanDerWaalsContact C-N 3.26Å; R14-R16 PolarHBondContact O-N 2.82Å; R16-D148 WeakPolarHBondContact CA-OD2 3.48Å; R16-D148 PolarHBondContact N-OD2 3.4Å; R16-D149 IonicContact CZ-OD1 2.66Å; R16-D149 IonicContact NH1-OD1 2.75Å; R16-D149 PolarHBondContact NH1-OD1 3.32Å; R16-D149 IonicContact NH2-OD1 3.36Å; R16-D149 PolarHBondContact NH2-OD1 2.77Å; R16-Y150 WeakPolarHBondContact CD-O 3.3Å; R16-Y150 HydrophobicContact CG-CE2 4.33Å; R16-Y150 VanDerWaalsContact NH1-CE1 3.29Å; R16-Y150 PolarHBondContact NH1-O 3.26Å; R16-Y150 VanDerWaalsContact NH2-CE1 3.31Å; R16-Y150 PolarHBondContact NH2-OH 3.08Å; R16-F151 VanDerWaalsContact C-CB 3.44Å; R16-S152 PolarHBondContact O-N 2.91Å; R16-S152 VanDerWaalsContact O-N 3.08Å
17T97.1Very high90.8Very high78 Ų7858.9 Ų58.948%0.47933%0.325SS..EExtended strand (participates in β ladder)trans-134.1167.4176.668.10000111.5A13 R14 G15 S152A13-T17 CarbonylContact C-O 3.54Å; A13-T17 VanDerWaalsContact CA-O 3.31Å; A13-T17 WeakPolarHBondContact CA-O 3.18Å; R14-T17 PolarHBondContact N-O 3.14Å; R14-T17 PolarHBondContact O-N 2.66Å; R14-T17 PolarHBondContact O-OG1 3.39Å; G15-T17 PolarHBondContact O-N 3.02Å; T17-S152 WeakPolarHBondContact CA-O 3.42Å
18L96.6Very high92.6Very high5 Ų564.4 Ų64.43%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-112.3114.8173.7-17162.5000110.7R12 A13 A20 F21 V122 F151 F153R12-L18 HydrophobicContact CB-CD1 3.67Å; A13-L18 HydrophobicContact CB-CD1 4.3Å; L18-A20 HydrophobicContact CG-CB 4.37Å; L18-A20 PolarHBondContact O-N 3.24Å; L18-A20 VanDerWaalsContact O-N 3.11Å; L18-F21 HydrophobicContact CD2-CD2 3.73Å; L18-F21 HydrophobicContact CD2-CE2 3.94Å; L18-F21 HydrophobicContact CG-CD2 4.31Å; L18-F21 PolarHBondContact O-N 3.17Å; L18-F21 VanDerWaalsContact O-N 3.12Å; L18-V122 HydrophobicContact CD2-CG2 3.74Å; L18-F151 HydrophobicContact CB-CD2 4.22Å; L18-F151 HydrophobicContact CB-CE2 4.11Å; L18-F151 HydrophobicContact CD1-CE2 4.16Å; L18-F151 HydrophobicContact CD2-CE2 4.31Å; L18-F151 HydrophobicContact CG-CE2 4.44Å; L18-F153 HydrophobicContact CB-CB 3.59Å; L18-F153 HydrophobicContact CB-CD1 4.16Å; L18-F153 HydrophobicContact CB-CG 3.93Å; L18-F153 HydrophobicContact CD2-CB 4.39Å; L18-F153 HydrophobicContact CD2-CD1 3.96Å; L18-F153 HydrophobicContact CD2-CD2 3.96Å; L18-F153 HydrophobicContact CD2-CE1 4.17Å; L18-F153 HydrophobicContact CD2-CE2 4.18Å; L18-F153 HydrophobicContact CD2-CG 3.85Å; L18-F153 HydrophobicContact CD2-CZ 4.28Å
19D93.6Very high93.5Very high89 Ų8966.3 Ų66.348%0.47634%0.339SS..THydrogen-bonded Turntrans-62.9-22.3-172.175.51.2000114.7R12 F21R12-D19 WeakPolarHBondContact CB-OD1 3.33Å; R12-D19 WeakPolarHBondContact CD-OD1 3.41Å; R12-D19 WeakPolarHBondContact CG-OD1 3.4Å; R12-D19 IonicContact CZ-OD1 3.97Å; R12-D19 IonicContact NH1-OD1 3.51Å; R12-D19 PolarHBondContact NH1-OD1 3.31Å; R12-D19 IonicContact NH1-OD2 2.9Å; R12-D19 PolarHBondContact O-N 3.2Å; D19-F21 PolarHBondContact O-N 3.26Å
20A93.6Very high93.6Very high26 Ų2670.1 Ų70.122%0.21535%0.35CS..THydrogen-bonded Turntrans-67.3-21.4179.700000112.4L18 P120L18-A20 HydrophobicContact CG-CB 4.37Å; L18-A20 PolarHBondContact O-N 3.24Å; L18-A20 VanDerWaalsContact O-N 3.11Å; A20-P120 HydrophobicContact CB-CB 3.63Å; A20-P120 HydrophobicContact CB-CG 3.63Å
21F95.4Very high93.5Very high20 Ų2070.4 Ų70.49%0.08836%0.355CS..SBendtrans-131.580.6-175.7-57.7-68.5000111.8L18 D19 A23 E26 K83 F84 P120 F153 W154 V155L18-F21 HydrophobicContact CD2-CD2 3.73Å; L18-F21 HydrophobicContact CD2-CE2 3.94Å; L18-F21 HydrophobicContact CG-CD2 4.31Å; L18-F21 PolarHBondContact O-N 3.17Å; L18-F21 VanDerWaalsContact O-N 3.12Å; D19-F21 PolarHBondContact O-N 3.26Å; F21-A23 PolarHBondContact O-N 3.37Å; F21-E26 HydrophobicContact CB-CG 4.06Å; F21-E26 HydrophobicContact CD1-CG 4.19Å; F21-K83 WeakPolarHBondContact CZ-O 3.41Å; F21-F84 HydrophobicContact CE2-CB 4.2Å; F21-F84 HydrophobicContact CE2-CD1 4.41Å; F21-F84 HydrophobicContact CZ-CB 4.09Å; F21-F84 HydrophobicContact CZ-CD1 4.3Å; F21-P120 HydrophobicContact CE1-CG 4.48Å; F21-P120 HydrophobicContact CE2-CB 4.11Å; F21-P120 HydrophobicContact CE2-CG 4.13Å; F21-P120 HydrophobicContact CZ-CB 4.19Å; F21-P120 HydrophobicContact CZ-CG 3.76Å; F21-F153 AromaticContact CD2-CD2 3.81Å; F21-F153 HydrophobicContact CD2-CD2 3.81Å; F21-F153 HydrophobicContact CD2-CE2 4.28Å; F21-F153 HydrophobicContact CE2-CD2 4.37Å; F21-F153 HydrophobicContact CE2-CE2 4.39Å; F21-W154 WeakPolarHBondContact CB-O 3.37Å; F21-V155 HydrophobicContact CD1-CG2 3.96Å; F21-V155 HydrophobicContact CD2-CG2 3.97Å; F21-V155 HydrophobicContact CE1-CG1 4.47Å; F21-V155 HydrophobicContact CE1-CG2 4.09Å; F21-V155 HydrophobicContact CE2-CG2 4.1Å; F21-V155 HydrophobicContact CG-CG2 3.9Å; F21-V155 HydrophobicContact CZ-CG2 4.16Å
22P92.8Very high93.7Very high45 Ų4568.9 Ų68.929%0.29235%0.35SS..  trans-58.3125.8175.6-21.732.7000111.1E24 K25 E26P22-E24 VanDerWaalsContact CB-CD 3.47Å; P22-E24 WeakPolarHBondContact CB-OE1 3.27Å; P22-E24 WeakPolarHBondContact CB-OE2 3.37Å; P22-E24 PolarHBondContact O-N 3.3Å; P22-K25 HydrophobicContact CB-CD 4.5Å; P22-K25 PolarHBondContact O-N 2.86Å; P22-E26 PolarHBondContact O-N 3.15Å; P22-E26 VanDerWaalsContact O-N 3.15Å
23A89.8Confident93.9Very high41 Ų4166 Ų6634%0.33934%0.339SS..Hα-helixtrans-59-36.2-170.800000112.6F21 K25 E26 S27F21-A23 PolarHBondContact O-N 3.37Å; A23-K25 PolarHBondContact O-N 3.45Å; A23-E26 PolarHBondContact O-N 3.28Å; A23-S27 WeakPolarHBondContact O-CB 3.42Å; A23-S27 PolarHBondContact O-N 3.38Å; A23-S27 PolarHBondContact O-OG 3.1Å; A23-S27 VanDerWaalsContact O-OG 3.07Å
24E90.9Very high94Very high146 Ų14665.8 Ų65.868%0.68234%0.337SS*.Hα-helixtrans-63.9-20.4178.472.5-74.3176.900113.8P22P22-E24 VanDerWaalsContact CB-CD 3.47Å; P22-E24 WeakPolarHBondContact CB-OE1 3.27Å; P22-E24 WeakPolarHBondContact CB-OE2 3.37Å; P22-E24 PolarHBondContact O-N 3.3Å
25K92.4Very high94.2Very high129 Ų12956.3 Ų56.356%0.56130%0.301SS*.Hα-helixtrans-97.5-28.7176-65.3178.8-179.9168.60112.2P22 A23 K30P22-K25 HydrophobicContact CB-CD 4.5Å; P22-K25 PolarHBondContact O-N 2.86Å; A23-K25 PolarHBondContact O-N 3.45Å; K25-K30 WeakPolarHBondContact O-CE 3.2Å; K25-K30 PolarHBondContact O-NZ 2.89Å
26E94.5Very high94.3Very high32 Ų3253.4 Ų53.415%0.1527%0.272CS..Hα-helixtrans-111.9-5-166.8-66.6-59.413400114.2F21 P22 A23 E28 K30 W154 G156 G157F21-E26 HydrophobicContact CB-CG 4.06Å; F21-E26 HydrophobicContact CD1-CG 4.19Å; P22-E26 PolarHBondContact O-N 3.15Å; P22-E26 VanDerWaalsContact O-N 3.15Å; A23-E26 PolarHBondContact O-N 3.28Å; E26-E28 VanDerWaalsContact C-N 3.26Å; E26-E28 PolarHBondContact O-N 2.98Å; E26-K30 IonicContact OE1-NZ 2.69Å; E26-W154 HydrophobicContact CB-CB 3.91Å; E26-W154 WeakPolarHBondContact CB-O 3.26Å; E26-G156 PolarHBondContact O-N 3.06Å; E26-G156 PolarHBondContact OE2-N 3.4Å; E26-G157 PolarHBondContact O-N 2.69Å
27S90.4Very high94.4Very high34 Ų3450.2 Ų50.224%0.23826%0.26CS..SBendtrans-77-5.3-178.264.40000115.3A23A23-S27 WeakPolarHBondContact O-CB 3.42Å; A23-S27 PolarHBondContact O-N 3.38Å; A23-S27 PolarHBondContact O-OG 3.1Å; A23-S27 VanDerWaalsContact O-OG 3.07Å
28E91.3Very high94.5Very high146 Ų14646.5 Ų46.568%0.68224%0.237SC*.SBendtrans-110.6143.1179.2-66.6-176.6179.300111.3E26 K30 G156 G157E26-E28 VanDerWaalsContact C-N 3.26Å; E26-E28 PolarHBondContact O-N 2.98Å; E28-K30 PolarHBondContact O-N 3.27Å; E28-G156 CarbonylContact O-C 3.56Å; E28-G157 VanDerWaalsContact C-CA 3.48Å; E28-G157 PolarHBondContact O-N 3.44Å; E28-G157 VanDerWaalsContact O-N 3.09Å
29W92.6Very high94.6Very high76 Ų7646.3 Ų46.329%0.28824%0.236SC..  trans-65.5125.4178.2-178.4-102000111.2P32 F33 G156 I158 Q198 V283 T284 A285W29-P32 HydrophobicContact CZ2-CG 4.25Å; W29-F33 HydrophobicContact CZ3-CE1 4.28Å; W29-G156 WeakPolarHBondContact CA-O 3.37Å; W29-I158 HydrophobicContact CE3-CD1 3.88Å; W29-I158 HydrophobicContact CE3-CG1 4.39Å; W29-I158 HydrophobicContact CZ3-CD1 3.66Å; W29-I158 HydrophobicContact CZ3-CG1 3.99Å; W29-Q198 HydrophobicContact CE3-CB 4.4Å; W29-Q198 HydrophobicContact CE3-CG 4.16Å; W29-V283 HydrophobicContact CZ3-CG1 4.42Å; W29-T284 WeakPolarHBondContact CH2-O 3.37Å; W29-A285 HydrophobicContact CD2-CB 4.46Å; W29-A285 HydrophobicContact CZ2-CB 3.83Å
30K88.8Confident94.8Very high137 Ų13742 Ų4260%0.59621%0.213SC*.  trans-117.20.9-179.5-67.5-177-173.7169.90114.1K25 E26 E28K25-K30 WeakPolarHBondContact O-CE 3.2Å; K25-K30 PolarHBondContact O-NZ 2.89Å; E26-K30 IonicContact OE1-NZ 2.69Å; E28-K30 PolarHBondContact O-N 3.27Å
31G93.6Very high95.1Very high11 Ų1140.8 Ų40.811%0.11320%0.203CC..SBendtrans113.5173.1-175.100000112.7
32P96.3Very high95.2Very high27 Ų2740 Ų4018%0.17520%0.2CC..  trans-62.3149.6-174.2-27.338.7000113.5W29 V283 T284 L310 K313W29-P32 HydrophobicContact CZ2-CG 4.25Å; P32-V283 WeakPolarHBondContact CA-O 3.49Å; P32-V283 WeakPolarHBondContact CB-O 3.44Å; P32-T284 HydrophobicContact CB-CG2 4.38Å; P32-T284 HydrophobicContact CG-CG2 4.39Å; P32-L310 WeakPolarHBondContact CB-O 3.15Å; P32-K313 WeakPolarHBondContact CD-O 3.42Å; P32-K313 WeakPolarHBondContact CG-O 3.25Å
33F97.3Very high95.5Very high8 Ų837.9 Ų37.94%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-147.9176.6173.765.1-90.6000109.9W29 F35 K83 V155 I158 F160 V283W29-F33 HydrophobicContact CZ3-CE1 4.28Å; F33-F35 HydrophobicContact CE2-CD1 4.33Å; F33-K83 HydrophobicContact CB-CD 4.41Å; F33-K83 HydrophobicContact CB-CG 3.62Å; F33-K83 HydrophobicContact CD2-CB 4.06Å; F33-K83 HydrophobicContact CD2-CG 3.62Å; F33-K83 HydrophobicContact CG-CG 3.86Å; F33-V155 HydrophobicContact CD2-CG1 4.25Å; F33-V155 HydrophobicContact CE1-CG1 4.31Å; F33-V155 WeakPolarHBondContact CE1-O 3.38Å; F33-V155 HydrophobicContact CE2-CB 4.27Å; F33-V155 HydrophobicContact CE2-CG1 3.89Å; F33-V155 HydrophobicContact CZ-CB 4.03Å; F33-V155 HydrophobicContact CZ-CG1 3.92Å; F33-V155 WeakPolarHBondContact CZ-O 3.47Å; F33-I158 HydrophobicContact CE1-CG1 3.84Å; F33-I158 HydrophobicContact CZ-CB 4.29Å; F33-I158 HydrophobicContact CZ-CG1 3.86Å; F33-F160 HydrophobicContact CE2-CE2 4.43Å; F33-F160 HydrophobicContact CE2-CZ 4.02Å; F33-F160 HydrophobicContact CZ-CE2 4.08Å; F33-F160 AromaticContact CZ-CZ 3.94Å; F33-F160 HydrophobicContact CZ-CZ 3.94Å; F33-V283 HydrophobicContact CE1-CB 4.22Å; F33-V283 HydrophobicContact CE1-CG1 4.42Å; F33-V283 HydrophobicContact CE2-CB 4.27Å; F33-V283 HydrophobicContact CE2-CG2 4.08Å; F33-V283 HydrophobicContact CZ-CB 4.06Å; F33-V283 HydrophobicContact CZ-CG1 4.37Å; F33-V283 HydrophobicContact CZ-CG2 4.18Å; F33-V283 PolarHBondContact N-O 3.33Å; F33-V283 VanDerWaalsContact N-O 3.12Å; F33-V283 PolarHBondContact O-N 3.43Å
34Y98.6Very high95.8Very high4 Ų435.9 Ų35.92%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-141.8158.5174.582-78.5000110.8I36 L78 P80 P82 K83 V280 V281 I303 I311Y34-I36 HydrophobicContact CD2-CD1 4.35Å; Y34-I36 HydrophobicContact CE2-CD1 4.07Å; Y34-L78 HydrophobicContact CE2-CD1 4.24Å; Y34-L78 WeakPolarHBondContact OH-CB 3.36Å; Y34-P80 HydrophobicContact CE1-CG 4.23Å; Y34-P80 WeakPolarHBondContact CE1-O 3.37Å; Y34-P80 PolarHBondContact OH-O 3.17Å; Y34-P82 HydrophobicContact CD2-CB 4.13Å; Y34-P82 HydrophobicContact CE2-CB 3.57Å; Y34-P82 HydrophobicContact CE2-CG 4.43Å; Y34-P82 WeakPolarHBondContact OH-CD 3.41Å; Y34-K83 WeakPolarHBondContact O-CB 3.4Å; Y34-K83 PolarHBondContact O-N 2.89Å; Y34-V280 HydrophobicContact CD2-CG1 3.99Å; Y34-V281 CarbonylContact C-O 3.5Å; Y34-V281 WeakPolarHBondContact CA-O 3.41Å; Y34-V281 VanDerWaalsContact CB-O 3.23Å; Y34-V281 WeakPolarHBondContact CB-O 3.42Å; Y34-I303 HydrophobicContact CD2-CD1 3.92Å; Y34-I303 HydrophobicContact CE2-CD1 3.38Å; Y34-I311 HydrophobicContact CD1-CD1 3.44Å; Y34-I311 VanDerWaalsContact CD1-CD1 3.44Å; Y34-I311 HydrophobicContact CD1-CG1 4.17Å; Y34-I311 HydrophobicContact CE1-CD1 4.12Å; Y34-I311 HydrophobicContact CG-CD1 3.74Å
35F98.8Very high96.2Very high0 Ų029.4 Ų29.40%014%0.14CC..EExtended strand (participates in β ladder)trans-136.8165.2173.864.5-91.9000109.8F33 L37 F84 V86 F160 I201 F203 F244 V281 V283F33-F35 HydrophobicContact CE2-CD1 4.33Å; F35-L37 HydrophobicContact CE2-CB 4.46Å; F35-F84 HydrophobicContact CB-CD1 3.85Å; F35-F84 HydrophobicContact CB-CD2 3.92Å; F35-F84 HydrophobicContact CB-CE1 3.63Å; F35-F84 HydrophobicContact CB-CE2 3.71Å; F35-F84 HydrophobicContact CB-CG 3.99Å; F35-F84 HydrophobicContact CB-CZ 3.56Å; F35-F84 WeakPolarHBondContact CB-O 3.12Å; F35-F84 AromaticContact CD1-CE1 3.89Å; F35-F84 HydrophobicContact CD1-CE1 3.89Å; F35-F84 HydrophobicContact CD1-CE2 4.28Å; F35-F84 AromaticContact CD1-CZ 3.53Å; F35-F84 HydrophobicContact CD1-CZ 3.53Å; F35-F84 HydrophobicContact CD2-CD2 4.31Å; F35-F84 HydrophobicContact CD2-CE1 4.5Å; F35-F84 AromaticContact CD2-CE2 3.47Å; F35-F84 HydrophobicContact CD2-CE2 3.47Å; F35-F84 VanDerWaalsContact CD2-CE2 3.47Å; F35-F84 AromaticContact CD2-CZ 3.59Å; F35-F84 HydrophobicContact CD2-CZ 3.59Å; F35-F84 HydrophobicContact CE1-CZ 4.04Å; F35-F84 HydrophobicContact CE2-CE2 4.1Å; F35-F84 HydrophobicContact CE2-CZ 4.1Å; F35-F84 HydrophobicContact CG-CD1 4.46Å; F35-F84 HydrophobicContact CG-CD2 4.29Å; F35-F84 AromaticContact CG-CE1 3.78Å; F35-F84 HydrophobicContact CG-CE1 3.78Å; F35-F84 AromaticContact CG-CE2 3.57Å; F35-F84 HydrophobicContact CG-CE2 3.57Å; F35-F84 AromaticContact CG-CZ 3.27Å; F35-F84 HydrophobicContact CG-CZ 3.27Å; F35-F84 HydrophobicContact CZ-CZ 4.29Å; F35-V86 HydrophobicContact CD2-CG1 4.2Å; F35-V86 HydrophobicContact CE2-CG1 4.23Å; F35-F160 HydrophobicContact CD1-CE1 4.4Å; F35-F160 HydrophobicContact CD1-CZ 4.5Å; F35-F160 AromaticContact CE1-CE1 3.84Å; F35-F160 HydrophobicContact CE1-CE1 3.84Å; F35-F160 HydrophobicContact CE1-CZ 4.21Å; F35-F160 HydrophobicContact CZ-CE1 4.22Å; F35-I201 HydrophobicContact CE1-CD1 4.45Å; F35-F203 HydrophobicContact CD2-CZ 4.36Å; F35-F203 AromaticContact CE2-CE1 3.72Å; F35-F203 HydrophobicContact CE2-CE1 3.72Å; F35-F203 AromaticContact CE2-CZ 3.59Å; F35-F203 HydrophobicContact CE2-CZ 3.59Å; F35-F203 AromaticContact CZ-CE1 3.98Å; F35-F203 HydrophobicContact CZ-CE1 3.98Å; F35-F203 AromaticContact CZ-CZ 3.71Å; F35-F203 HydrophobicContact CZ-CZ 3.71Å; F35-F244 HydrophobicContact CZ-CE2 4.03Å; F35-V281 HydrophobicContact CD1-CB 4.1Å; F35-V281 HydrophobicContact CD1-CG1 4.33Å; F35-V281 HydrophobicContact CD2-CB 4.13Å; F35-V281 HydrophobicContact CD2-CG2 4.32Å; F35-V281 HydrophobicContact CE1-CB 3.67Å; F35-V281 HydrophobicContact CE1-CG1 3.51Å; F35-V281 HydrophobicContact CE1-CG2 4.48Å; F35-V281 HydrophobicContact CE2-CB 3.7Å; F35-V281 HydrophobicContact CE2-CG1 4.19Å; F35-V281 HydrophobicContact CE2-CG2 3.67Å; F35-V281 HydrophobicContact CG-CB 4.32Å; F35-V281 HydrophobicContact CZ-CB 3.46Å; F35-V281 VanDerWaalsContact CZ-CB 3.46Å; F35-V281 HydrophobicContact CZ-CG1 3.43Å; F35-V281 VanDerWaalsContact CZ-CG1 3.43Å; F35-V281 HydrophobicContact CZ-CG2 3.77Å; F35-V281 PolarHBondContact N-O 2.51Å; F35-V281 PolarHBondContact O-N 3.27Å; F35-V283 HydrophobicContact CD1-CG2 4.31Å; F35-V283 HydrophobicContact CE1-CG2 3.88Å
36I98.9Very high96.4Very high0 Ų024.6 Ų24.60%012%0.119CC..EExtended strand (participates in β ladder)trans-106.6138.4175.9-56.9-60.4000108.7Y34 I75 L78 P82 F84 F85 V86 L278 V280Y34-I36 HydrophobicContact CD2-CD1 4.35Å; Y34-I36 HydrophobicContact CE2-CD1 4.07Å; I36-I75 HydrophobicContact CB-CD1 4.48Å; I36-I75 HydrophobicContact CB-CG1 4.46Å; I36-I75 HydrophobicContact CG1-CG1 4.29Å; I36-I75 HydrophobicContact CG2-CD1 3.91Å; I36-I75 HydrophobicContact CG2-CG1 4.04Å; I36-L78 HydrophobicContact CD1-CD1 3.79Å; I36-L78 HydrophobicContact CG1-CD1 4.08Å; I36-P82 HydrophobicContact CG1-CB 3.87Å; I36-P82 HydrophobicContact CG1-CG 4.01Å; I36-F84 PolarHBondContact N-O 3.49Å; I36-F84 VanDerWaalsContact N-O 3.14Å; I36-F85 HydrophobicContact CB-CD2 3.99Å; I36-F85 HydrophobicContact CG2-CD2 3.82Å; I36-F85 HydrophobicContact CG2-CE2 4.02Å; I36-F85 WeakPolarHBondContact O-CA 3.09Å; I36-V86 WeakPolarHBondContact O-CG1 3.44Å; I36-V86 PolarHBondContact O-N 3.18Å; I36-L278 HydrophobicContact CG2-CB 4.08Å; I36-L278 HydrophobicContact CG2-CD1 4.11Å; I36-L278 HydrophobicContact CG2-CD2 4.14Å; I36-L278 HydrophobicContact CG2-CG 4.35Å; I36-V280 HydrophobicContact CD1-CB 4.26Å; I36-V280 HydrophobicContact CD1-CG1 4.32Å; I36-V280 HydrophobicContact CD1-CG2 3.73Å
37L98.9Very high96.5Very high0 Ų025.5 Ų25.50%012%0.123CC..EExtended strand (participates in β ladder)trans-117130.3170.7178.2157.9000109.5F35 V86 F203 F244 S264 R279F35-L37 HydrophobicContact CE2-CB 4.46Å; L37-V86 WeakPolarHBondContact CA-O 3.13Å; L37-V86 HydrophobicContact CB-CG1 3.68Å; L37-V86 HydrophobicContact CD1-CG1 4.09Å; L37-V86 HydrophobicContact CG-CG1 3.82Å; L37-F203 HydrophobicContact CD1-CD1 4.25Å; L37-F203 HydrophobicContact CD1-CE1 4.17Å; L37-F244 HydrophobicContact CD1-CB 3.41Å; L37-F244 VanDerWaalsContact CD1-CB 3.41Å; L37-F244 HydrophobicContact CD1-CD1 3.86Å; L37-F244 HydrophobicContact CD1-CG 3.72Å; L37-S264 WeakPolarHBondContact CD2-OG 3.31Å; L37-R279 HydrophobicContact CB-CB 4.26Å; L37-R279 HydrophobicContact CD2-CB 4.23Å; L37-R279 PolarHBondContact N-O 2.88Å; L37-R279 PolarHBondContact O-N 3.34Å
38G98.8Very high96.8Very high1 Ų123.9 Ų23.91%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-119.9167164.100000110.1V86 L87 C88G38-V86 PolarHBondContact N-O 3.45Å; G38-L87 CarbonylContact O-C 3.57Å; G38-L87 WeakPolarHBondContact O-CA 3.13Å; G38-C88 PolarHBondContact O-N 2.8Å
39A98.7Very high97Very high0 Ų023.1 Ų23.10%010%0.102CC..  trans-147.4154.1174.700000109.1C88 A266 I267A39-C88 HydrophobicContact CB-CB 4.04Å; A39-A266 CarbonylContact O-C 3.58Å; A39-A266 WeakPolarHBondContact O-CA 3.29Å; A39-I267 PolarHBondContact O-N 3.31Å
40D98.8Very high97.1Very high0 Ų024 Ų240%012%0.12CC..  trans49.353.6167.1-39-77.3000114.2Q42 G89 H205 H247 H249 A266 G268D40-Q42 PolarHBondContact O-N 3.46Å; D40-G89 PolarHBondContact N-O 2.8Å; D40-G89 VanDerWaalsContact N-O 3.17Å; D40-H205 IonicContact OD1-CE1 2.82Å; D40-H205 PolarHBondContact OD1-CE1 2.88Å; D40-H205 IonicContact OD1-ND1 3.82Å; D40-H247 PolarHBondContact OD1-N 2.91Å; D40-H247 VanDerWaalsContact OD1-N 3.14Å; D40-H247 PolarHBondContact OD2-N 3.3Å; D40-H247 VanDerWaalsContact OD2-N 3.09Å; D40-H249 VanDerWaalsContact CB-CE1 3.49Å; D40-H249 WeakPolarHBondContact CB-CE1 3.4Å; D40-H249 IonicContact OD1-NE2 3.8Å; D40-A266 HydrophobicContact CB-CB 3.71Å; D40-G268 WeakPolarHBondContact O-CA 3.36Å; D40-G268 PolarHBondContact O-N 2.89Å
41P98.7Very high97.4Very high0 Ų021.6 Ų21.60%012%0.117CC..  trans-60.6-33.816626.7-31.4000110.5F43 T68 L87 L108 I267P41-F43 HydrophobicContact CB-CD1 4.44Å; P41-F43 HydrophobicContact CB-CE1 4.26Å; P41-F43 PolarHBondContact O-N 2.98Å; P41-T68 HydrophobicContact CB-CG2 4.48Å; P41-L87 HydrophobicContact CG-CD2 4.45Å; P41-L108 HydrophobicContact CB-CD1 4.3Å; P41-L108 HydrophobicContact CG-CD1 4.27Å; P41-I267 HydrophobicContact CB-CB 4.44Å
42Q98.3Very high97.4Very high3 Ų324.2 Ų24.21%0.01414%0.144CC..  trans38.959.9162.7-152.2172.77.200115.4D40 G44 L45 D90 L91 H93 H128 H249D40-Q42 PolarHBondContact O-N 3.46Å; Q42-G44 PolarHBondContact O-N 3.12Å; Q42-G44 VanDerWaalsContact O-N 3.09Å; Q42-L45 HydrophobicContact CB-CB 4.28Å; Q42-L45 VanDerWaalsContact CD-CD2 3.45Å; Q42-L45 HydrophobicContact CG-CB 3.9Å; Q42-L45 HydrophobicContact CG-CD2 4.28Å; Q42-L45 PolarHBondContact O-N 3.32Å; Q42-L45 VanDerWaalsContact O-N 3.08Å; Q42-D90 VanDerWaalsContact CA-O 3.26Å; Q42-D90 WeakPolarHBondContact CA-O 3.34Å; Q42-D90 HydrophobicContact CB-CB 4.49Å; Q42-D90 WeakPolarHBondContact CB-O 3.14Å; Q42-D90 HydrophobicContact CG-CB 4.11Å; Q42-D90 PolarHBondContact N-O 3.29Å; Q42-D90 VanDerWaalsContact N-O 3.1Å; Q42-D90 PolarHBondContact NE2-OD2 2.91Å; Q42-L91 WeakPolarHBondContact CA-O 3.38Å; Q42-L91 PolarHBondContact N-O 2.83Å; Q42-L91 VanDerWaalsContact N-O 3.15Å; Q42-H93 HydrophobicContact CG-CB 4.1Å; Q42-H128 PolarHBondContact NE2-CD2 3.09Å; Q42-H128 PolarHBondContact NE2-CE1 3.14Å; Q42-H128 PolarHBondContact NE2-NE2 3.23Å; Q42-H249 PolarHBondContact OE1-CE1 3.02Å; Q42-H249 PolarHBondContact OE1-NE2 3.4Å
43F98.6Very high97.2Very high0 Ų026.1 Ų26.10%015%0.153CC..BIsolated β-bridgetrans-55.1118.4-177.8-76.923.5000109.9P41 W61 E64 I65 T68 I92 H93 Q104 D107 L108 V111P41-F43 HydrophobicContact CB-CD1 4.44Å; P41-F43 HydrophobicContact CB-CE1 4.26Å; P41-F43 PolarHBondContact O-N 2.98Å; F43-W61 HydrophobicContact CB-CB 3.93Å; F43-W61 HydrophobicContact CB-CG 4.05Å; F43-W61 AromaticContact CD2-CD1 3.6Å; F43-W61 HydrophobicContact CD2-CG 4.34Å; F43-W61 HydrophobicContact CG-CB 4.49Å; F43-E64 HydrophobicContact CD1-CB 3.59Å; F43-E64 HydrophobicContact CE1-CB 4.02Å; F43-E64 WeakPolarHBondContact CE1-O 3.41Å; F43-E64 HydrophobicContact CG-CB 4.18Å; F43-I65 HydrophobicContact CD2-CG1 3.96Å; F43-I65 HydrophobicContact CE2-CB 4.4Å; F43-I65 HydrophobicContact CE2-CD1 4.39Å; F43-I65 HydrophobicContact CE2-CG1 3.37Å; F43-I65 HydrophobicContact CZ-CB 4.44Å; F43-I65 HydrophobicContact CZ-CG1 3.85Å; F43-T68 HydrophobicContact CE1-CG2 4.34Å; F43-T68 WeakPolarHBondContact CE1-OG1 3.49Å; F43-T68 HydrophobicContact CZ-CG2 4.44Å; F43-I92 HydrophobicContact CB-CG2 4.45Å; F43-H93 WeakPolarHBondContact O-CB 3.46Å; F43-H93 PolarHBondContact O-N 2.98Å; F43-Q104 HydrophobicContact CB-CB 4.2Å; F43-Q104 HydrophobicContact CB-CG 4.29Å; F43-Q104 PolarHBondContact O-NE2 2.78Å; F43-Q104 PolarHBondContact O-OE1 3.05Å; F43-D107 HydrophobicContact CD2-CB 4.15Å; F43-D107 HydrophobicContact CE2-CB 4.09Å; F43-L108 HydrophobicContact CD1-CD1 4.29Å; F43-L108 HydrophobicContact CD2-CB 4.09Å; F43-L108 HydrophobicContact CE1-CD1 3.71Å; F43-L108 HydrophobicContact CE2-CB 3.93Å; F43-L108 HydrophobicContact CE2-CD1 4.33Å; F43-L108 HydrophobicContact CZ-CB 4.22Å; F43-L108 HydrophobicContact CZ-CD1 3.74Å; F43-V111 HydrophobicContact CZ-CG2 4.31Å
44G97.9Very high96.7Very high0 Ų028.1 Ų28.10%017%0.167CC..THydrogen-bonded Turntrans109.3-10.2177.400000113.8Q42 A48 G58 W61 E64Q42-G44 PolarHBondContact O-N 3.12Å; Q42-G44 VanDerWaalsContact O-N 3.09Å; G44-A48 WeakPolarHBondContact O-CB 3.24Å; G44-G58 WeakPolarHBondContact O-CA 2.91Å; G44-W61 VanDerWaalsContact N-CB 3.27Å; G44-E64 PolarHBondContact N-OE1 3.41Å
45L98Very high96Very high10 Ų1033.5 Ų33.55%0.05220%0.196CC..Hα-helixtrans-75.2-35.2-178.5177.263.4000112.4Q42 K47 A48 W49 E64 H93 H249 C269Q42-L45 HydrophobicContact CB-CB 4.28Å; Q42-L45 VanDerWaalsContact CD-CD2 3.45Å; Q42-L45 HydrophobicContact CG-CB 3.9Å; Q42-L45 HydrophobicContact CG-CD2 4.28Å; Q42-L45 PolarHBondContact O-N 3.32Å; Q42-L45 VanDerWaalsContact O-N 3.08Å; L45-K47 PolarHBondContact O-N 2.71Å; L45-A48 PolarHBondContact O-N 3.4Å; L45-W49 HydrophobicContact CD1-CB 4.18Å; L45-W49 HydrophobicContact CG-CB 4.38Å; L45-W49 VanDerWaalsContact O-CB 3.26Å; L45-W49 WeakPolarHBondContact O-CB 3.28Å; L45-W49 PolarHBondContact O-N 3.31Å; L45-E64 PolarHBondContact N-OE1 2.96Å; L45-E64 VanDerWaalsContact N-OE1 3.14Å; L45-H93 HydrophobicContact CB-CB 4.2Å; L45-H249 VanDerWaalsContact CD2-CE1 3.5Å; L45-H249 WeakPolarHBondContact CD2-CE1 3.29Å; L45-C269 HydrophobicContact CB-CB 4.3Å; L45-C269 HydrophobicContact CD2-CB 3.57Å; L45-C269 HydrophobicContact CG-CB 3.8Å
46M97.7Very high95.4Very high28 Ų2838.9 Ų38.914%0.13823%0.225CC..Hα-helixtrans-62.3-48.6-166.9-70.2-17068.900112.6S50 Q63 E64 L67 C269M46-S50 WeakPolarHBondContact O-CB 3.42Å; M46-S50 PolarHBondContact O-N 3.46Å; M46-S50 PolarHBondContact O-OG 3.49Å; M46-Q63 HydrophobicContact CE-CG 3.89Å; M46-Q63 HydrophobicContact SD-CB 4.06Å; M46-Q63 HydrophobicContact SD-CG 3.72Å; M46-E64 HydrophobicContact CB-CG 4.48Å; M46-E64 VanDerWaalsContact CB-OE1 3.31Å; M46-E64 WeakPolarHBondContact CB-OE1 3.47Å; M46-E64 VanDerWaalsContact CG-CD 3.44Å; M46-E64 HydrophobicContact CG-CG 3.75Å; M46-E64 WeakPolarHBondContact CG-OE1 3.41Å; M46-E64 PolarHBondContact N-OE1 2.92Å; M46-E64 HydrophobicContact SD-CG 3.84Å; M46-L67 HydrophobicContact CE-CD1 4.47Å; M46-L67 HydrophobicContact SD-CD1 3.77Å; M46-C269 HydrophobicContact CG-CB 3.76Å
47K96.4Very high94.7Very high50 Ų5039.1 Ų39.122%0.21723%0.227CC..Hα-helixtrans-62.1-52.9174.2177.6-177.7169.6-171.60110.1L45 W49 S50 T51 D59 E60L45-K47 PolarHBondContact O-N 2.71Å; K47-W49 PolarHBondContact O-N 2.96Å; K47-S50 PolarHBondContact O-N 2.93Å; K47-S50 PolarHBondContact O-OG 3.36Å; K47-T51 HydrophobicContact CG-CG2 4.3Å; K47-T51 PolarHBondContact O-N 2.92Å; K47-T51 PolarHBondContact O-OG1 2.68Å; K47-D59 WeakPolarHBondContact CE-OD1 3.4Å; K47-D59 IonicContact NZ-OD1 3.46Å; K47-D59 PolarHBondContact NZ-OD1 2.63Å; K47-D59 IonicContact NZ-OD2 2.75Å; K47-D59 PolarHBondContact NZ-OD2 3.48Å; K47-E60 HydrophobicContact CD-CB 3.75Å; K47-E60 HydrophobicContact CD-CG 3.88Å; K47-E60 VanDerWaalsContact NZ-CD 3.35Å; K47-E60 IonicContact NZ-OE1 3.32Å; K47-E60 PolarHBondContact NZ-OE1 2.83Å
48A95.2Very high94.4Very high0 Ų039.4 Ų39.40%023%0.23CC..Hα-helixtrans-53.2-42.8-176.900000112.2G44 L45 T51 G52 D53 G57G44-A48 WeakPolarHBondContact O-CB 3.24Å; L45-A48 PolarHBondContact O-N 3.4Å; A48-T51 PolarHBondContact O-OG1 2.91Å; A48-G52 CarbonylContact O-C 3.45Å; A48-G52 PolarHBondContact O-N 3.34Å; A48-G52 VanDerWaalsContact O-N 3.12Å; A48-D53 WeakPolarHBondContact CB-O 3.29Å; A48-D53 CarbonylContact O-C 3.25Å; A48-D53 PolarHBondContact O-N 2.93Å; A48-G57 WeakPolarHBondContact CB-O 3.1Å; A48-G57 PolarHBondContact N-O 2.75Å
49W95.7Very high94.2Very high131 Ų13142.4 Ų42.450%0.49625%0.246SC..Hα-helixtrans-67.6-46.8175.3-176.2-107000112.4L45 K47 T51 G52 L271L45-W49 HydrophobicContact CD1-CB 4.18Å; L45-W49 HydrophobicContact CG-CB 4.38Å; L45-W49 VanDerWaalsContact O-CB 3.26Å; L45-W49 WeakPolarHBondContact O-CB 3.28Å; L45-W49 PolarHBondContact O-N 3.31Å; K47-W49 PolarHBondContact O-N 2.96Å; W49-T51 VanDerWaalsContact C-N 3.28Å; W49-T51 PolarHBondContact O-N 3.32Å; W49-G52 PolarHBondContact O-N 2.82Å; W49-G52 VanDerWaalsContact O-N 3.17Å; W49-L271 HydrophobicContact CD2-CD2 3.59Å; W49-L271 HydrophobicContact CE3-CD2 4.13Å; W49-L271 HydrophobicContact CG-CD2 4.01Å; W49-L271 HydrophobicContact CH2-CD2 4.13Å; W49-L271 HydrophobicContact CZ2-CD2 3.59Å; W49-L271 HydrophobicContact CZ3-CD2 4.37Å
50S95.4Very high94.1Very high94 Ų9447.8 Ų47.866%0.65727%0.271SS*.Hα-helixtrans-63.8-31.6-177.9740000113.7M46 K47M46-S50 WeakPolarHBondContact O-CB 3.42Å; M46-S50 PolarHBondContact O-N 3.46Å; M46-S50 PolarHBondContact O-OG 3.49Å; K47-S50 PolarHBondContact O-N 2.93Å; K47-S50 PolarHBondContact O-OG 3.36Å
51T95.1Very high94Very high87 Ų8749.1 Ų49.153%0.53428%0.277SS..Hα-helixtrans-91.9-10.4178.160.30000112.9K47 A48 W49 D53K47-T51 HydrophobicContact CG-CG2 4.3Å; K47-T51 PolarHBondContact O-N 2.92Å; K47-T51 PolarHBondContact O-OG1 2.68Å; A48-T51 PolarHBondContact O-OG1 2.91Å; W49-T51 VanDerWaalsContact C-N 3.28Å; W49-T51 PolarHBondContact O-N 3.32Å; T51-D53 VanDerWaalsContact C-N 3.29Å
52G93.2Very high94Very high66 Ų6655.6 Ų55.668%0.6831%0.307SS*.THydrogen-bonded Turntrans72.916.8-175.300000114.3A48 W49A48-G52 CarbonylContact O-C 3.45Å; A48-G52 PolarHBondContact O-N 3.34Å; A48-G52 VanDerWaalsContact O-N 3.12Å; W49-G52 PolarHBondContact O-N 2.82Å; W49-G52 VanDerWaalsContact O-N 3.17Å
53D92Very high94Very high66 Ų6659.8 Ų59.835%0.35333%0.326SS..  trans-112.868.6178.1-173.81.3000110.2A48 T51 D55 N56 G57A48-D53 WeakPolarHBondContact CB-O 3.29Å; A48-D53 CarbonylContact O-C 3.25Å; A48-D53 PolarHBondContact O-N 2.93Å; T51-D53 VanDerWaalsContact C-N 3.29Å; D53-D55 PolarHBondContact O-N 2.83Å; D53-N56 PolarHBondContact O-N 3.12Å; D53-N56 PolarHBondContact OD1-N 3.19Å; D53-N56 PolarHBondContact OD1-ND2 3.25Å; D53-G57 VanDerWaalsContact O-CA 3.29Å; D53-G57 WeakPolarHBondContact O-CA 3.16Å; D53-G57 PolarHBondContact O-N 2.89Å
54C87.1Confident94Very high51 Ų5160 Ų6035%0.34533%0.327SS..THydrogen-bonded Turntrans-64.1-18.8-179.6-65.50000113.6H93C54-H93 PolarHBondContact O-CE1 3.32Å; C54-H93 PolarHBondContact O-NE2 2.65Å
55D83.5Confident94.1Very high117 Ų11760.9 Ų60.963%0.62633%0.332SS*.THydrogen-bonded Turntrans-85.9-30.9-177-80.3-49.3000113.6D53 K98D53-D55 PolarHBondContact O-N 2.83Å; D55-K98 IonicContact OD1-NZ 3.8Å
56N86.2Confident94.1Very high112 Ų11267 Ų6760%0.59935%0.354SS*.THydrogen-bonded Turntrans-130.6-15.5-174.1-44.8-81.4000114D53 G58D53-N56 PolarHBondContact O-N 3.12Å; D53-N56 PolarHBondContact OD1-N 3.19Å; D53-N56 PolarHBondContact OD1-ND2 3.25Å; N56-G58 PolarHBondContact O-N 2.97Å; N56-G58 VanDerWaalsContact O-N 3.17Å
57G84.6Confident94.2Very high5 Ų566.4 Ų66.45%0.05235%0.351CS..  trans-79.713.5-176.900000115.5A48 D53 D59A48-G57 WeakPolarHBondContact CB-O 3.1Å; A48-G57 PolarHBondContact N-O 2.75Å; D53-G57 VanDerWaalsContact O-CA 3.29Å; D53-G57 WeakPolarHBondContact O-CA 3.16Å; D53-G57 PolarHBondContact O-N 2.89Å; G57-D59 VanDerWaalsContact C-N 3.25Å; G57-D59 PolarHBondContact O-N 3.47Å
58G92.5Very high94.3Very high6 Ų664.1 Ų64.16%0.06234%0.342CS..  trans-87.223.5179.500000114.9G44 N56 Q104G44-G58 WeakPolarHBondContact O-CA 2.91Å; N56-G58 PolarHBondContact O-N 2.97Å; N56-G58 VanDerWaalsContact O-N 3.17Å; G58-Q104 PolarHBondContact O-NE2 3.28Å
59D94.8Very high94.4Very high65 Ų6567.6 Ų67.635%0.34836%0.358SS..SBendtrans-87.5-3.4-176.361.4-31.4000113.8K47 G57 W100K47-D59 WeakPolarHBondContact CE-OD1 3.4Å; K47-D59 IonicContact NZ-OD1 3.46Å; K47-D59 PolarHBondContact NZ-OD1 2.63Å; K47-D59 IonicContact NZ-OD2 2.75Å; K47-D59 PolarHBondContact NZ-OD2 3.48Å; G57-D59 VanDerWaalsContact C-N 3.25Å; G57-D59 PolarHBondContact O-N 3.47Å; D59-W100 HydrophobicContact CB-CZ2 4.19Å
60E95.8Very high94.6Very high113 Ų11364 Ų6453%0.52835%0.347SS..  trans-136.9134.1176.4-62.8173.9-146.300110.9K47K47-E60 HydrophobicContact CD-CB 3.75Å; K47-E60 HydrophobicContact CD-CG 3.88Å; K47-E60 VanDerWaalsContact NZ-CD 3.35Å; K47-E60 IonicContact NZ-OE1 3.32Å; K47-E60 PolarHBondContact NZ-OE1 2.83Å
61W98.1Very high94.8Very high28 Ų2859.5 Ų59.511%0.10632%0.316CS..  trans-147.623.7-177.657.686.9000114.3F43 G44 Q63 E64 I65 W100 E103 Q104 D107F43-W61 HydrophobicContact CB-CB 3.93Å; F43-W61 HydrophobicContact CB-CG 4.05Å; F43-W61 AromaticContact CD2-CD1 3.6Å; F43-W61 HydrophobicContact CD2-CG 4.34Å; F43-W61 HydrophobicContact CG-CB 4.49Å; G44-W61 VanDerWaalsContact N-CB 3.27Å; W61-Q63 PolarHBondContact O-N 3.13Å; W61-E64 VanDerWaalsContact CA-OE2 3.3Å; W61-E64 WeakPolarHBondContact CA-OE2 3.41Å; W61-E64 PolarHBondContact O-N 3.37Å; W61-I65 VanDerWaalsContact CD1-CD1 3.48Å; W61-I65 PolarHBondContact O-N 2.85Å; W61-W100 HydrophobicContact CH2-CB 4.21Å; W61-W100 HydrophobicContact CH2-CE3 4.42Å; W61-W100 HydrophobicContact CZ3-CB 3.92Å; W61-W100 HydrophobicContact CZ3-CG 4.23Å; W61-E103 HydrophobicContact CH2-CB 3.72Å; W61-E103 HydrophobicContact CZ2-CB 3.72Å; W61-Q104 HydrophobicContact CD2-CG 3.8Å; W61-Q104 HydrophobicContact CE3-CG 3.7Å; W61-Q104 HydrophobicContact CG-CG 4.44Å; W61-Q104 HydrophobicContact CH2-CG 4.17Å; W61-Q104 HydrophobicContact CZ2-CG 4.26Å; W61-Q104 HydrophobicContact CZ3-CG 3.9Å; W61-D107 PolarHBondContact NE1-OD2 3.19Å
62E98.4Very high94.9Very high136 Ų13655.4 Ų55.464%0.63629%0.29SS*.Hα-helixtrans-62.6-30.8-179.4-67.5-172.4175.800113R66E62-R66 WeakPolarHBondContact O-CG 3.44Å; E62-R66 PolarHBondContact O-N 3.08Å; E62-R66 VanDerWaalsContact O-N 3.14Å; E62-R66 IonicContact OE2-NH1 2.9Å; E62-R66 PolarHBondContact OE2-NH1 2.9Å
63Q98.3Very high95.2Very high91 Ų9156.9 Ų56.943%0.42528%0.28SS..Hα-helixtrans-71.9-43179.7-173.8167.4-7.300111M46 W61 I65 R66 L67M46-Q63 HydrophobicContact CE-CG 3.89Å; M46-Q63 HydrophobicContact SD-CB 4.06Å; M46-Q63 HydrophobicContact SD-CG 3.72Å; W61-Q63 PolarHBondContact O-N 3.13Å; Q63-I65 VanDerWaalsContact C-N 3.31Å; Q63-I65 PolarHBondContact O-N 2.91Å; Q63-R66 PolarHBondContact O-N 2.92Å; Q63-R66 VanDerWaalsContact O-N 3.16Å; Q63-L67 HydrophobicContact CG-CD1 4.13Å; Q63-L67 WeakPolarHBondContact O-CG 3.45Å; Q63-L67 PolarHBondContact O-N 3.45Å
64E98.7Very high95.5Very high3 Ų353.8 Ų53.81%0.01426%0.263CS..Hα-helixtrans-62.8-37.1174.9-6493.9136.500112F43 G44 L45 M46 W61 T68F43-E64 HydrophobicContact CD1-CB 3.59Å; F43-E64 HydrophobicContact CE1-CB 4.02Å; F43-E64 WeakPolarHBondContact CE1-O 3.41Å; F43-E64 HydrophobicContact CG-CB 4.18Å; G44-E64 PolarHBondContact N-OE1 3.41Å; L45-E64 PolarHBondContact N-OE1 2.96Å; L45-E64 VanDerWaalsContact N-OE1 3.14Å; M46-E64 HydrophobicContact CB-CG 4.48Å; M46-E64 VanDerWaalsContact CB-OE1 3.31Å; M46-E64 WeakPolarHBondContact CB-OE1 3.47Å; M46-E64 VanDerWaalsContact CG-CD 3.44Å; M46-E64 HydrophobicContact CG-CG 3.75Å; M46-E64 WeakPolarHBondContact CG-OE1 3.41Å; M46-E64 PolarHBondContact N-OE1 2.92Å; M46-E64 HydrophobicContact SD-CG 3.84Å; W61-E64 VanDerWaalsContact CA-OE2 3.3Å; W61-E64 WeakPolarHBondContact CA-OE2 3.41Å; W61-E64 PolarHBondContact O-N 3.37Å; E64-T68 VanDerWaalsContact O-CB 3.31Å; E64-T68 WeakPolarHBondContact O-CB 3.5Å; E64-T68 PolarHBondContact O-N 3.09Å; E64-T68 PolarHBondContact O-OG1 2.65Å
65I98.8Very high96.1Very high20 Ų2051.4 Ų51.410%0.10325%0.247CC..Hα-helixtrans-56.4-55.1169.1-73.2166.6000110.1F43 W61 Q63 L67 T68 E69 D107 V111F43-I65 HydrophobicContact CD2-CG1 3.96Å; F43-I65 HydrophobicContact CE2-CB 4.4Å; F43-I65 HydrophobicContact CE2-CD1 4.39Å; F43-I65 HydrophobicContact CE2-CG1 3.37Å; F43-I65 HydrophobicContact CZ-CB 4.44Å; F43-I65 HydrophobicContact CZ-CG1 3.85Å; W61-I65 VanDerWaalsContact CD1-CD1 3.48Å; W61-I65 PolarHBondContact O-N 2.85Å; Q63-I65 VanDerWaalsContact C-N 3.31Å; Q63-I65 PolarHBondContact O-N 2.91Å; I65-L67 VanDerWaalsContact C-N 3.33Å; I65-L67 PolarHBondContact O-N 3.2Å; I65-T68 PolarHBondContact O-N 3.48Å; I65-E69 HydrophobicContact CG2-CG 4.22Å; I65-E69 WeakPolarHBondContact O-CB 3.33Å; I65-E69 WeakPolarHBondContact O-CG 3.38Å; I65-E69 PolarHBondContact O-N 3.38Å; I65-D107 HydrophobicContact CD1-CB 4.27Å; I65-V111 HydrophobicContact CG2-CG2 4.12Å
66R98.8Very high96.8Very high137 Ų13747.9 Ų47.952%0.51723%0.228SC..Hα-helixtrans-59.2-42.6-177.4-73.2-174.7-68.2-99.22.5112.2E62 Q63 E69 Q70E62-R66 WeakPolarHBondContact O-CG 3.44Å; E62-R66 PolarHBondContact O-N 3.08Å; E62-R66 VanDerWaalsContact O-N 3.14Å; E62-R66 IonicContact OE2-NH1 2.9Å; E62-R66 PolarHBondContact OE2-NH1 2.9Å; Q63-R66 PolarHBondContact O-N 2.92Å; Q63-R66 VanDerWaalsContact O-N 3.16Å; R66-E69 PolarHBondContact O-N 2.72Å; R66-Q70 WeakPolarHBondContact O-CB 3.25Å; R66-Q70 PolarHBondContact O-N 3.05Å
67L98.9Very high97.3Very high16 Ų1650.5 Ų50.58%0.08423%0.23CC..Hα-helixtrans-64.4-41.8177.9-71166.3000111.5M46 Q63 I65 Q70 A71 I267 H276 L295M46-L67 HydrophobicContact CE-CD1 4.47Å; M46-L67 HydrophobicContact SD-CD1 3.77Å; Q63-L67 HydrophobicContact CG-CD1 4.13Å; Q63-L67 WeakPolarHBondContact O-CG 3.45Å; Q63-L67 PolarHBondContact O-N 3.45Å; I65-L67 VanDerWaalsContact C-N 3.33Å; I65-L67 PolarHBondContact O-N 3.2Å; L67-Q70 WeakPolarHBondContact O-CB 3.23Å; L67-Q70 PolarHBondContact O-N 2.82Å; L67-A71 WeakPolarHBondContact O-CB 3.09Å; L67-A71 PolarHBondContact O-N 3.29Å; L67-I267 HydrophobicContact CB-CG2 4.38Å; L67-H276 HydrophobicContact CD2-CB 3.94Å; L67-L295 HydrophobicContact CB-CD1 4.31Å; L67-L295 HydrophobicContact CD2-CD1 3.98Å; L67-L295 WeakPolarHBondContact O-CD1 3.37Å
68T98.8Very high97.9Very high2 Ų250.7 Ų50.71%0.01223%0.23CC..Hα-helixtrans-74.4-34.8-179.5-55.50000111.5P41 F43 E64 I65 A71 V72 L108 V111 L112P41-T68 HydrophobicContact CB-CG2 4.48Å; F43-T68 HydrophobicContact CE1-CG2 4.34Å; F43-T68 WeakPolarHBondContact CE1-OG1 3.49Å; F43-T68 HydrophobicContact CZ-CG2 4.44Å; E64-T68 VanDerWaalsContact O-CB 3.31Å; E64-T68 WeakPolarHBondContact O-CB 3.5Å; E64-T68 PolarHBondContact O-N 3.09Å; E64-T68 PolarHBondContact O-OG1 2.65Å; I65-T68 PolarHBondContact O-N 3.48Å; T68-A71 WeakPolarHBondContact O-CB 3.43Å; T68-A71 PolarHBondContact O-N 2.95Å; T68-V72 WeakPolarHBondContact O-CG2 3.47Å; T68-V72 PolarHBondContact O-N 3.36Å; T68-L108 HydrophobicContact CG2-CD1 4.19Å; T68-V111 HydrophobicContact CG2-CG1 3.76Å; T68-L112 HydrophobicContact CG2-CD2 4.3Å
69E98.9Very high98Very high74 Ų7457.1 Ų57.135%0.34626%0.263SS..Hα-helixtrans-61.2-43.5169.1-74.5177.8163.100111.4I65 R66 V72 Q73 V111I65-E69 HydrophobicContact CG2-CG 4.22Å; I65-E69 WeakPolarHBondContact O-CB 3.33Å; I65-E69 WeakPolarHBondContact O-CG 3.38Å; I65-E69 PolarHBondContact O-N 3.38Å; R66-E69 PolarHBondContact O-N 2.72Å; E69-V72 PolarHBondContact O-N 3.16Å; E69-Q73 WeakPolarHBondContact O-CB 3.21Å; E69-Q73 WeakPolarHBondContact O-CG 3.31Å; E69-Q73 PolarHBondContact O-N 3.46Å; E69-V111 HydrophobicContact CB-CG1 4.39Å; E69-V111 HydrophobicContact CG-CB 4.41Å; E69-V111 HydrophobicContact CG-CG1 3.7Å; E69-V111 HydrophobicContact CG-CG2 3.83Å
70Q98.8Very high98.1Very high54 Ų5456.9 Ų56.925%0.25226%0.264SS..Hα-helixtrans-61.6-44.1175-173.9-177.63.200111.4R66 L67 Q73 A74 L295 D296R66-Q70 WeakPolarHBondContact O-CB 3.25Å; R66-Q70 PolarHBondContact O-N 3.05Å; L67-Q70 WeakPolarHBondContact O-CB 3.23Å; L67-Q70 PolarHBondContact O-N 2.82Å; Q70-Q73 PolarHBondContact O-N 3.35Å; Q70-A74 WeakPolarHBondContact O-CB 3.38Å; Q70-A74 PolarHBondContact O-N 2.79Å; Q70-L295 HydrophobicContact CB-CD1 4.29Å; Q70-L295 HydrophobicContact CG-CB 4.09Å; Q70-L295 HydrophobicContact CG-CD1 4.38Å; Q70-D296 PolarHBondContact NE2-OD1 2.75Å
71A98.8Very high98.2Very high1 Ų155 Ų551%0.00825%0.254CS..Hα-helixtrans-57.7-49.4174.700000112L67 T68 Q73 A74 I75 I267 L278 L295L67-A71 WeakPolarHBondContact O-CB 3.09Å; L67-A71 PolarHBondContact O-N 3.29Å; T68-A71 WeakPolarHBondContact O-CB 3.43Å; T68-A71 PolarHBondContact O-N 2.95Å; A71-Q73 VanDerWaalsContact C-N 3.35Å; A71-Q73 PolarHBondContact O-N 3.02Å; A71-A74 PolarHBondContact O-N 2.9Å; A71-I75 VanDerWaalsContact O-CG1 3.25Å; A71-I75 WeakPolarHBondContact O-CG1 3.36Å; A71-I75 PolarHBondContact O-N 2.86Å; A71-I267 HydrophobicContact CB-CD1 4.48Å; A71-I267 HydrophobicContact CB-CG2 4.28Å; A71-L278 HydrophobicContact CB-CD1 4Å; A71-L278 HydrophobicContact CB-CD2 4.43Å; A71-L278 HydrophobicContact CB-CG 4.42Å; A71-L295 HydrophobicContact CB-CD2 3.68Å
72V98.8Very high98.2Very high1 Ų153.8 Ų53.81%0.00625%0.25CC..Hα-helixtrans-62.9-41.2177.7172.30000111.4T68 E69 I75 N76 V111 L112 T114 V115T68-V72 WeakPolarHBondContact O-CG2 3.47Å; T68-V72 PolarHBondContact O-N 3.36Å; E69-V72 PolarHBondContact O-N 3.16Å; V72-I75 PolarHBondContact O-N 3.14Å; V72-N76 VanDerWaalsContact O-CB 3.29Å; V72-N76 WeakPolarHBondContact O-CB 3.44Å; V72-N76 PolarHBondContact O-N 3.17Å; V72-V111 HydrophobicContact CG2-CG1 4.2Å; V72-L112 HydrophobicContact CG2-CD2 4.4Å; V72-T114 VanDerWaalsContact CG1-OG1 3.31Å; V72-T114 WeakPolarHBondContact CG1-OG1 3.25Å; V72-V115 HydrophobicContact CB-CG2 4.21Å; V72-V115 HydrophobicContact CG1-CB 4.34Å; V72-V115 HydrophobicContact CG1-CG2 3.64Å; V72-V115 HydrophobicContact CG2-CG2 3.6Å
73Q98.6Very high98.2Very high97 Ų9751.9 Ų51.945%0.45324%0.24SC..Hα-helixtrans-62.2-43.1175.6-74.1174.82500112.1E69 Q70 A71 N76 R77E69-Q73 WeakPolarHBondContact O-CB 3.21Å; E69-Q73 WeakPolarHBondContact O-CG 3.31Å; E69-Q73 PolarHBondContact O-N 3.46Å; Q70-Q73 PolarHBondContact O-N 3.35Å; A71-Q73 VanDerWaalsContact C-N 3.35Å; A71-Q73 PolarHBondContact O-N 3.02Å; Q73-N76 PolarHBondContact O-N 3.43Å; Q73-R77 VanDerWaalsContact O-CG 3.3Å; Q73-R77 WeakPolarHBondContact O-CG 3.48Å; Q73-R77 PolarHBondContact O-N 2.94Å; Q73-R77 VanDerWaalsContact O-N 3.15Å
74A98.6Very high98.2Very high1 Ų147.5 Ų47.51%0.00822%0.219CC..Hα-helixtrans-60-5117600000110.7Q70 A71 N76 R77 L78 L298 S299Q70-A74 WeakPolarHBondContact O-CB 3.38Å; Q70-A74 PolarHBondContact O-N 2.79Å; A71-A74 PolarHBondContact O-N 2.9Å; A74-N76 VanDerWaalsContact C-N 3.33Å; A74-N76 PolarHBondContact O-N 2.99Å; A74-R77 PolarHBondContact O-N 3.34Å; A74-R77 VanDerWaalsContact O-N 3.1Å; A74-L78 PolarHBondContact O-N 2.77Å; A74-L298 HydrophobicContact CB-CB 4.5Å; A74-L298 HydrophobicContact CB-CD2 4.19Å; A74-L298 HydrophobicContact CB-CG 4.33Å; A74-S299 WeakPolarHBondContact CB-OG 3.41Å
75I98.7Very high98.2Very high0 Ų047.5 Ų47.50%022%0.219CC..Hα-helixtrans-56.9-46.3178.1-69.4167000111.2I36 A71 V72 R77 L78 P82 F85 I119 L278I36-I75 HydrophobicContact CB-CD1 4.48Å; I36-I75 HydrophobicContact CB-CG1 4.46Å; I36-I75 HydrophobicContact CG1-CG1 4.29Å; I36-I75 HydrophobicContact CG2-CD1 3.91Å; I36-I75 HydrophobicContact CG2-CG1 4.04Å; A71-I75 VanDerWaalsContact O-CG1 3.25Å; A71-I75 WeakPolarHBondContact O-CG1 3.36Å; A71-I75 PolarHBondContact O-N 2.86Å; V72-I75 PolarHBondContact O-N 3.14Å; I75-R77 PolarHBondContact O-N 2.83Å; I75-L78 WeakPolarHBondContact O-CB 3.36Å; I75-L78 PolarHBondContact O-N 2.82Å; I75-L78 VanDerWaalsContact O-N 3.17Å; I75-P82 HydrophobicContact CG2-CG 4.11Å; I75-F85 HydrophobicContact CD1-CD1 3.74Å; I75-F85 HydrophobicContact CD1-CD2 3.82Å; I75-F85 HydrophobicContact CD1-CE1 3.68Å; I75-F85 HydrophobicContact CD1-CE2 3.75Å; I75-F85 HydrophobicContact CD1-CG 3.82Å; I75-F85 HydrophobicContact CD1-CZ 3.68Å; I75-I119 HydrophobicContact CG2-CD1 3.66Å; I75-L278 HydrophobicContact CD1-CD1 3.85Å; I75-L278 HydrophobicContact CG1-CD1 3.85Å
76N98.6Very high98.2Very high43 Ų4346.5 Ų46.523%0.2321%0.214CC..Hα-helixtrans-65.8-24.7-179.3-74.8-6.9000113.1V72 Q73 A74 K81 T114 D116V72-N76 VanDerWaalsContact O-CB 3.29Å; V72-N76 WeakPolarHBondContact O-CB 3.44Å; V72-N76 PolarHBondContact O-N 3.17Å; Q73-N76 PolarHBondContact O-N 3.43Å; A74-N76 VanDerWaalsContact C-N 3.33Å; A74-N76 PolarHBondContact O-N 2.99Å; N76-K81 PolarHBondContact O-NZ 2.98Å; N76-T114 PolarHBondContact ND2-O 3.07Å; N76-D116 WeakPolarHBondContact OD1-CB 3.31Å; N76-D116 PolarHBondContact OD1-N 2.87Å
77R97.7Very high98.2Very high167 Ų16740 Ų4063%0.6319%0.19SC*.Hα-helixtrans-81.5-15.7177.1-71.8173.2-170179.27.7113.3Q73 A74 I75Q73-R77 VanDerWaalsContact O-CG 3.3Å; Q73-R77 WeakPolarHBondContact O-CG 3.48Å; Q73-R77 PolarHBondContact O-N 2.94Å; Q73-R77 VanDerWaalsContact O-N 3.15Å; A74-R77 PolarHBondContact O-N 3.34Å; A74-R77 VanDerWaalsContact O-N 3.1Å; I75-R77 PolarHBondContact O-N 2.83Å
78L97.6Very high98.2Very high10 Ų1039.2 Ų39.25%0.05219%0.186CC..  trans-64.3137.4-178.1-61.7176000111.9Y34 I36 A74 I75 L298 I303Y34-L78 HydrophobicContact CE2-CD1 4.24Å; Y34-L78 WeakPolarHBondContact OH-CB 3.36Å; I36-L78 HydrophobicContact CD1-CD1 3.79Å; I36-L78 HydrophobicContact CG1-CD1 4.08Å; A74-L78 PolarHBondContact O-N 2.77Å; I75-L78 WeakPolarHBondContact O-CB 3.36Å; I75-L78 PolarHBondContact O-N 2.82Å; I75-L78 VanDerWaalsContact O-N 3.17Å; L78-L298 HydrophobicContact CD2-CD1 4.15Å; L78-L298 HydrophobicContact CD2-CG 4.47Å; L78-I303 HydrophobicContact CD1-CD1 4.3Å; L78-I303 HydrophobicContact CD2-CD1 4.18Å; L78-I303 HydrophobicContact CD2-CG1 4.02Å
79N94.4Very high98.2Very high141 Ų14139.1 Ų39.175%0.75419%0.185SC*.SBendtrans-142.3121.5178.1-173.642.3000110.7
80P95.7Very high98.2Very high59 Ų5935.7 Ų35.738%0.38317%0.169SC..SBendcis-63.31590.528.9-32.9000111.6Y34 I311Y34-P80 HydrophobicContact CE1-CG 4.23Å; Y34-P80 WeakPolarHBondContact CE1-O 3.37Å; Y34-P80 PolarHBondContact OH-O 3.17Å; P80-I311 HydrophobicContact CG-CG2 4.41Å
81K97.7Very high98.2Very high74 Ų7433.1 Ų33.132%0.32216%0.157SC..PPolyproline II helixtrans-64.4144179.2-63.7-75.8168159.70111N76 D116 I119N76-K81 PolarHBondContact O-NZ 2.98Å; K81-D116 WeakPolarHBondContact CE-OD2 3.35Å; K81-D116 IonicContact NZ-OD2 2.71Å; K81-D116 PolarHBondContact NZ-OD2 3.14Å; K81-I119 HydrophobicContact CB-CG1 4.31Å; K81-I119 HydrophobicContact CD-CD1 4.06Å; K81-I119 HydrophobicContact CD-CG1 4.42Å
82P98.3Very high98.1Very high2 Ų233.1 Ų33.11%0.01316%0.157CC..PPolyproline II helixtrans-62.8151.7171.526.5-32.4000110.2Y34 I36 I75 F84 I119Y34-P82 HydrophobicContact CD2-CB 4.13Å; Y34-P82 HydrophobicContact CE2-CB 3.57Å; Y34-P82 HydrophobicContact CE2-CG 4.43Å; Y34-P82 WeakPolarHBondContact OH-CD 3.41Å; I36-P82 HydrophobicContact CG1-CB 3.87Å; I36-P82 HydrophobicContact CG1-CG 4.01Å; I75-P82 HydrophobicContact CG2-CG 4.11Å; P82-F84 VanDerWaalsContact C-N 3.33Å; P82-F84 PolarHBondContact O-N 3.4Å; P82-I119 HydrophobicContact CG-CD1 3.7Å; P82-I119 HydrophobicContact CG-CG1 4.05Å; P82-I119 HydrophobicContact CG-CG2 4Å
83K98.2Very high98.1Very high96 Ų9633.5 Ų33.542%0.41716%0.159SC..SBendtrans-65.8-35.9-180-76.4-64-171.6172.20113.2F21 F33 Y34 P120 V155F21-K83 WeakPolarHBondContact CZ-O 3.41Å; F33-K83 HydrophobicContact CB-CD 4.41Å; F33-K83 HydrophobicContact CB-CG 3.62Å; F33-K83 HydrophobicContact CD2-CB 4.06Å; F33-K83 HydrophobicContact CD2-CG 3.62Å; F33-K83 HydrophobicContact CG-CG 3.86Å; Y34-K83 WeakPolarHBondContact O-CB 3.4Å; Y34-K83 PolarHBondContact O-N 2.89Å; K83-P120 WeakPolarHBondContact O-CD 3.22Å; K83-V155 HydrophobicContact CB-CG1 4.29Å; K83-V155 HydrophobicContact CD-CG1 4.46Å; K83-V155 HydrophobicContact CG-CG1 4.26Å
84F98.8Very high98.1Very high0 Ų029.2 Ų29.20%014%0.139CC..  trans-160169.917459.4-91000109.4F21 F35 I36 P82 V86 P120 V122 F153 V155 F160 F203F21-F84 HydrophobicContact CE2-CB 4.2Å; F21-F84 HydrophobicContact CE2-CD1 4.41Å; F21-F84 HydrophobicContact CZ-CB 4.09Å; F21-F84 HydrophobicContact CZ-CD1 4.3Å; F35-F84 HydrophobicContact CB-CD1 3.85Å; F35-F84 HydrophobicContact CB-CD2 3.92Å; F35-F84 HydrophobicContact CB-CE1 3.63Å; F35-F84 HydrophobicContact CB-CE2 3.71Å; F35-F84 HydrophobicContact CB-CG 3.99Å; F35-F84 HydrophobicContact CB-CZ 3.56Å; F35-F84 WeakPolarHBondContact CB-O 3.12Å; F35-F84 AromaticContact CD1-CE1 3.89Å; F35-F84 HydrophobicContact CD1-CE1 3.89Å; F35-F84 HydrophobicContact CD1-CE2 4.28Å; F35-F84 AromaticContact CD1-CZ 3.53Å; F35-F84 HydrophobicContact CD1-CZ 3.53Å; F35-F84 HydrophobicContact CD2-CD2 4.31Å; F35-F84 HydrophobicContact CD2-CE1 4.5Å; F35-F84 AromaticContact CD2-CE2 3.47Å; F35-F84 HydrophobicContact CD2-CE2 3.47Å; F35-F84 VanDerWaalsContact CD2-CE2 3.47Å; F35-F84 AromaticContact CD2-CZ 3.59Å; F35-F84 HydrophobicContact CD2-CZ 3.59Å; F35-F84 HydrophobicContact CE1-CZ 4.04Å; F35-F84 HydrophobicContact CE2-CE2 4.1Å; F35-F84 HydrophobicContact CE2-CZ 4.1Å; F35-F84 HydrophobicContact CG-CD1 4.46Å; F35-F84 HydrophobicContact CG-CD2 4.29Å; F35-F84 AromaticContact CG-CE1 3.78Å; F35-F84 HydrophobicContact CG-CE1 3.78Å; F35-F84 AromaticContact CG-CE2 3.57Å; F35-F84 HydrophobicContact CG-CE2 3.57Å; F35-F84 AromaticContact CG-CZ 3.27Å; F35-F84 HydrophobicContact CG-CZ 3.27Å; F35-F84 HydrophobicContact CZ-CZ 4.29Å; I36-F84 PolarHBondContact N-O 3.49Å; I36-F84 VanDerWaalsContact N-O 3.14Å; P82-F84 VanDerWaalsContact C-N 3.33Å; P82-F84 PolarHBondContact O-N 3.4Å; F84-V86 HydrophobicContact CD2-CB 4.24Å; F84-V86 HydrophobicContact CE2-CB 4.08Å; F84-V86 HydrophobicContact CE2-CG1 4.1Å; F84-P120 VanDerWaalsContact CA-O 3.31Å; F84-P120 WeakPolarHBondContact CA-O 3.2Å; F84-P120 HydrophobicContact CB-CB 4.49Å; F84-P120 WeakPolarHBondContact CB-O 3.41Å; F84-V122 HydrophobicContact CB-CG2 4.25Å; F84-V122 HydrophobicContact CD2-CB 4.45Å; F84-V122 HydrophobicContact CD2-CG2 3.68Å; F84-V122 HydrophobicContact CE2-CG2 4.31Å; F84-V122 HydrophobicContact CG-CG2 4.14Å; F84-F153 HydrophobicContact CD1-CE2 4.43Å; F84-F153 HydrophobicContact CE1-CE2 4.17Å; F84-F153 HydrophobicContact CE2-CZ 4.46Å; F84-F153 HydrophobicContact CZ-CE2 4.35Å; F84-F153 HydrophobicContact CZ-CZ 4.34Å; F84-V155 HydrophobicContact CD1-CG2 4.24Å; F84-V155 HydrophobicContact CE1-CG2 4.14Å; F84-F160 HydrophobicContact CE1-CE1 4.19Å; F84-F160 HydrophobicContact CE1-CE2 4.39Å; F84-F160 HydrophobicContact CE1-CZ 4.02Å; F84-F160 HydrophobicContact CZ-CD1 4.12Å; F84-F160 AromaticContact CZ-CE1 3.72Å; F84-F160 HydrophobicContact CZ-CE1 3.72Å; F84-F160 HydrophobicContact CZ-CZ 4.03Å; F84-F203 HydrophobicContact CE2-CE2 4.03Å; F84-F203 AromaticContact CE2-CZ 3.9Å; F84-F203 HydrophobicContact CE2-CZ 3.9Å; F84-F203 HydrophobicContact CZ-CE2 4.14Å; F84-F203 AromaticContact CZ-CZ 3.98Å; F84-F203 HydrophobicContact CZ-CZ 3.98Å
85F98.9Very high98Very high2 Ų231.1 Ų31.11%0.00915%0.151CC..EExtended strand (participates in β ladder)trans-122.2119.7170.8173.2-145.9000109.1I36 I75 L87 L112 V115 I119 P120 L121 V122 I267 L278I36-F85 HydrophobicContact CB-CD2 3.99Å; I36-F85 HydrophobicContact CG2-CD2 3.82Å; I36-F85 HydrophobicContact CG2-CE2 4.02Å; I36-F85 WeakPolarHBondContact O-CA 3.09Å; I75-F85 HydrophobicContact CD1-CD1 3.74Å; I75-F85 HydrophobicContact CD1-CD2 3.82Å; I75-F85 HydrophobicContact CD1-CE1 3.68Å; I75-F85 HydrophobicContact CD1-CE2 3.75Å; I75-F85 HydrophobicContact CD1-CG 3.82Å; I75-F85 HydrophobicContact CD1-CZ 3.68Å; F85-L87 HydrophobicContact CE1-CD1 4.41Å; F85-L87 HydrophobicContact CE1-CD2 4.16Å; F85-L87 HydrophobicContact CE1-CG 4.2Å; F85-L87 HydrophobicContact CE2-CD2 3.92Å; F85-L87 HydrophobicContact CE2-CG 4.32Å; F85-L87 HydrophobicContact CZ-CD1 4.5Å; F85-L87 HydrophobicContact CZ-CD2 3.45Å; F85-L87 VanDerWaalsContact CZ-CD2 3.45Å; F85-L87 HydrophobicContact CZ-CG 3.91Å; F85-L112 HydrophobicContact CE1-CD2 4.33Å; F85-V115 HydrophobicContact CD1-CG2 4.29Å; F85-I119 HydrophobicContact CB-CG2 3.94Å; F85-P120 PolarHBondContact N-O 3.49Å; F85-L121 HydrophobicContact CB-CD2 4.17Å; F85-L121 HydrophobicContact CD1-CD2 3.59Å; F85-L121 HydrophobicContact CE1-CD2 4.43Å; F85-L121 HydrophobicContact CG-CD2 4.24Å; F85-L121 CarbonylContact O-C 3.6Å; F85-L121 WeakPolarHBondContact O-CA 3.07Å; F85-V122 PolarHBondContact O-N 3.08Å; F85-I267 HydrophobicContact CZ-CD1 4.24Å; F85-L278 HydrophobicContact CE2-CD2 3.96Å; F85-L278 HydrophobicContact CZ-CD2 4.21Å
86V98.9Very high97.9Very high0 Ų032.5 Ų32.50%016%0.16CC..EExtended strand (participates in β ladder)trans-103.3137.6177.8600000111.3F35 I36 L37 G38 F84 V122 V124 F203F35-V86 HydrophobicContact CD2-CG1 4.2Å; F35-V86 HydrophobicContact CE2-CG1 4.23Å; I36-V86 WeakPolarHBondContact O-CG1 3.44Å; I36-V86 PolarHBondContact O-N 3.18Å; L37-V86 WeakPolarHBondContact CA-O 3.13Å; L37-V86 HydrophobicContact CB-CG1 3.68Å; L37-V86 HydrophobicContact CD1-CG1 4.09Å; L37-V86 HydrophobicContact CG-CG1 3.82Å; G38-V86 PolarHBondContact N-O 3.45Å; F84-V86 HydrophobicContact CD2-CB 4.24Å; F84-V86 HydrophobicContact CE2-CB 4.08Å; F84-V86 HydrophobicContact CE2-CG1 4.1Å; V86-V122 CarbonylContact C-O 3.52Å; V86-V122 VanDerWaalsContact CA-O 3.24Å; V86-V122 WeakPolarHBondContact CA-O 3.46Å; V86-V122 HydrophobicContact CB-CB 3.86Å; V86-V122 HydrophobicContact CB-CG1 4.31Å; V86-V122 HydrophobicContact CG2-CB 3.89Å; V86-V122 HydrophobicContact CG2-CG1 3.84Å; V86-V124 HydrophobicContact CG2-CG2 3.92Å; V86-F203 HydrophobicContact CG1-CD1 4.17Å; V86-F203 HydrophobicContact CG1-CE1 3.82Å; V86-F203 HydrophobicContact CG1-CZ 4.05Å; V86-F203 HydrophobicContact CG2-CB 4.45Å; V86-F203 HydrophobicContact CG2-CD1 4.13Å; V86-F203 HydrophobicContact CG2-CD2 4.21Å; V86-F203 HydrophobicContact CG2-CE1 4.5Å; V86-F203 HydrophobicContact CG2-CG 4.02Å
87L98.9Very high97.7Very high0 Ų034.3 Ų34.30%019%0.189CC..EExtended strand (participates in β ladder)trans-113.4111.5171.3-72.8172.3000110G38 P41 F85 G89 L91 L112 V122 L123 V124 I267G38-L87 CarbonylContact O-C 3.57Å; G38-L87 WeakPolarHBondContact O-CA 3.13Å; P41-L87 HydrophobicContact CG-CD2 4.45Å; F85-L87 HydrophobicContact CE1-CD1 4.41Å; F85-L87 HydrophobicContact CE1-CD2 4.16Å; F85-L87 HydrophobicContact CE1-CG 4.2Å; F85-L87 HydrophobicContact CE2-CD2 3.92Å; F85-L87 HydrophobicContact CE2-CG 4.32Å; F85-L87 HydrophobicContact CZ-CD1 4.5Å; F85-L87 HydrophobicContact CZ-CD2 3.45Å; F85-L87 VanDerWaalsContact CZ-CD2 3.45Å; F85-L87 HydrophobicContact CZ-CG 3.91Å; L87-G89 VanDerWaalsContact C-N 3.29Å; L87-G89 PolarHBondContact O-N 2.7Å; L87-L91 HydrophobicContact CB-CD2 3.82Å; L87-L91 HydrophobicContact CD1-CD2 4.16Å; L87-L112 HydrophobicContact CD1-CD1 3.71Å; L87-L112 HydrophobicContact CD1-CD2 3.85Å; L87-L112 HydrophobicContact CD1-CG 4.45Å; L87-V122 PolarHBondContact N-O 3.27Å; L87-L123 HydrophobicContact CB-CD2 4.19Å; L87-L123 HydrophobicContact CD1-CD2 4.01Å; L87-V124 WeakPolarHBondContact O-CB 3.48Å; L87-V124 WeakPolarHBondContact O-CG2 3.2Å; L87-V124 PolarHBondContact O-N 3.29Å; L87-I267 HydrophobicContact CD2-CD1 3.72Å
88C98.7Very high97.5Very high0 Ų030.4 Ų30.40%018%0.177CC..EExtended strand (participates in β ladder)trans-81.563.7-176.7-78.30000113.2G38 A39 H205G38-C88 PolarHBondContact O-N 2.8Å; A39-C88 HydrophobicContact CB-CB 4.04Å; C88-H205 PolarHBondContact O-ND1 2.78Å
89G98.3Very high97.4Very high0 Ų034.2 Ų34.20%020%0.202CC..SBendtrans74176.417000000115.9D40 L87 V124 H205D40-G89 PolarHBondContact N-O 2.8Å; D40-G89 VanDerWaalsContact N-O 3.17Å; L87-G89 VanDerWaalsContact C-N 3.29Å; L87-G89 PolarHBondContact O-N 2.7Å; G89-V124 WeakPolarHBondContact CA-O 3.41Å; G89-V124 PolarHBondContact N-O 3.07Å; G89-H205 WeakPolarHBondContact CA-ND1 3.41Å
90D98.7Very high97.4Very high1 Ų132.9 Ų32.91%0.00519%0.186CC..  trans47.759.1-171.5-74.4-0000111Q42 I92 G126 N127 H128 D129 H205Q42-D90 VanDerWaalsContact CA-O 3.26Å; Q42-D90 WeakPolarHBondContact CA-O 3.34Å; Q42-D90 HydrophobicContact CB-CB 4.49Å; Q42-D90 WeakPolarHBondContact CB-O 3.14Å; Q42-D90 HydrophobicContact CG-CB 4.11Å; Q42-D90 PolarHBondContact N-O 3.29Å; Q42-D90 VanDerWaalsContact N-O 3.1Å; Q42-D90 PolarHBondContact NE2-OD2 2.91Å; D90-I92 VanDerWaalsContact C-N 3.28Å; D90-I92 PolarHBondContact O-N 3Å; D90-G126 VanDerWaalsContact OD1-C 3.26Å; D90-G126 WeakPolarHBondContact OD1-CA 3.37Å; D90-N127 PolarHBondContact OD1-N 2.89Å; D90-N127 PolarHBondContact OD2-OD1 2.87Å; D90-H128 HydrophobicContact CB-CB 4.38Å; D90-H128 WeakPolarHBondContact OD1-CB 3.47Å; D90-H128 IonicContact OD1-CD2 3Å; D90-H128 IonicContact OD1-CG 2.63Å; D90-H128 PolarHBondContact OD1-N 3.08Å; D90-H128 IonicContact OD2-CD2 3.29Å; D90-H128 PolarHBondContact OD2-CD2 2.84Å; D90-H128 IonicContact OD2-CG 3.02Å; D90-D129 WeakPolarHBondContact CA-OD2 3.35Å; D90-D129 PolarHBondContact N-OD2 3.17Å; D90-H205 IonicContact OD1-CE1 3.33Å; D90-H205 IonicContact OD1-NE2 3.91Å; D90-H205 PolarHBondContact OD1-NE2 3.27Å; D90-H205 IonicContact OD2-CE1 3.64Å; D90-H205 PolarHBondContact OD2-CE1 2.92Å; D90-H205 IonicContact OD2-NE2 3.98Å; D90-H205 PolarHBondContact OD2-NE2 2.63Å
91L98.7Very high97.5Very high0 Ų030.8 Ų30.80%017%0.171CC..  trans-63.3-41-178.3-58.2-178.5000110.1Q42 L87 L108 L123 D129 F142 W146Q42-L91 WeakPolarHBondContact CA-O 3.38Å; Q42-L91 PolarHBondContact N-O 2.83Å; Q42-L91 VanDerWaalsContact N-O 3.15Å; L87-L91 HydrophobicContact CB-CD2 3.82Å; L87-L91 HydrophobicContact CD1-CD2 4.16Å; L91-L108 HydrophobicContact CB-CD2 3.61Å; L91-L108 VanDerWaalsContact O-CD2 3.32Å; L91-L108 WeakPolarHBondContact O-CD2 3.48Å; L91-L123 HydrophobicContact CD2-CD2 4.44Å; L91-D129 WeakPolarHBondContact CB-OD1 3.46Å; L91-D129 PolarHBondContact N-OD1 3.15Å; L91-D129 PolarHBondContact N-OD2 3.49Å; L91-F142 HydrophobicContact CD1-CE2 4.26Å; L91-W146 HydrophobicContact CB-CZ2 4.41Å; L91-W146 HydrophobicContact CD1-CD2 3.75Å; L91-W146 HydrophobicContact CD1-CE3 4.31Å; L91-W146 HydrophobicContact CD1-CG 4.02Å; L91-W146 HydrophobicContact CD1-CH2 4.44Å; L91-W146 HydrophobicContact CD1-CZ2 3.96Å
92I98.3Very high97.5Very high1 Ų132 Ų321%0.00518%0.184CC..BIsolated β-bridgetrans-132.6161.3177.956.7156.9000110.9F43 D90 R101 Q104 T105 L108 H128F43-I92 HydrophobicContact CB-CG2 4.45Å; D90-I92 VanDerWaalsContact C-N 3.28Å; D90-I92 PolarHBondContact O-N 3Å; I92-R101 HydrophobicContact CD1-CB 4.45Å; I92-R101 HydrophobicContact CD1-CG 3.61Å; I92-Q104 HydrophobicContact CB-CB 3.98Å; I92-Q104 HydrophobicContact CD1-CB 4.46Å; I92-Q104 HydrophobicContact CG2-CB 3.8Å; I92-T105 WeakPolarHBondContact CD1-OG1 3.38Å; I92-L108 HydrophobicContact CG2-CB 4.34Å; I92-L108 HydrophobicContact CG2-CD2 4.07Å; I92-H128 WeakPolarHBondContact O-CB 3.17Å
93H98.1Very high97.5Very high10 Ų1036.1 Ų36.15%0.04620%0.204CC..SBendtrans-83-37.1-179.1-177.457.8000113.3Q42 F43 L45 C54 T95 H128Q42-H93 HydrophobicContact CG-CB 4.1Å; F43-H93 WeakPolarHBondContact O-CB 3.46Å; F43-H93 PolarHBondContact O-N 2.98Å; L45-H93 HydrophobicContact CB-CB 4.2Å; C54-H93 PolarHBondContact O-CE1 3.32Å; C54-H93 PolarHBondContact O-NE2 2.65Å; H93-T95 PolarHBondContact O-N 2.84Å; H93-H128 AromaticContact CE1-CE1 3.6Å; H93-H128 AromaticContact ND1-CE1 3.37Å; H93-H128 PolarHBondContact ND1-CE1 3.05Å; H93-H128 AromaticContact ND1-ND1 3.51Å; H93-H128 PolarHBondContact O-ND1 2.87Å
94A97.7Very high97.5Very high6 Ų631.6 Ų31.65%0.0518%0.184CC..SBendtrans-69.5109.3-175.800000111.1K98 P99 R101 Q104A94-K98 HydrophobicContact CB-CB 4.32Å; A94-P99 VanDerWaalsContact CB-O 3.28Å; A94-P99 WeakPolarHBondContact CB-O 3.39Å; A94-R101 HydrophobicContact CB-CB 3.76Å; A94-R101 HydrophobicContact CB-CG 4.41Å; A94-R101 PolarHBondContact O-NH1 3.14Å; A94-Q104 VanDerWaalsContact CB-OE1 3.24Å
95T96.9Very high97.5Very high41 Ų4132.2 Ų32.225%0.25219%0.187SC..  trans-63.4161.9177.461.60000111.9H93 G97 K98 H128H93-T95 PolarHBondContact O-N 2.84Å; T95-G97 PolarHBondContact O-N 3.33Å; T95-K98 VanDerWaalsContact O-CB 3.29Å; T95-K98 WeakPolarHBondContact O-CB 3.5Å; T95-K98 PolarHBondContact O-N 3.42Å; T95-K98 WeakPolarHBondContact OG1-CG 3.31Å; T95-H128 WeakPolarHBondContact CA-O 3.35Å; T95-H128 HydrophobicContact CG2-CB 4.45Å
96P96.8Very high97.4Very high30 Ų3035.9 Ų35.920%0.19521%0.205CC..THydrogen-bonded Turntrans-50131.4179.8-29.436000113K98 T138P96-K98 VanDerWaalsContact C-N 3.31Å; P96-K98 PolarHBondContact O-N 2.89Å; P96-T138 HydrophobicContact CB-CG2 3.62Å; P96-T138 HydrophobicContact CG-CG2 3.88Å
97G94Very high97.4Very high81 Ų8137.4 Ų37.484%0.83521%0.213SC*.THydrogen-bonded Turntrans79.2-0.3-178.300000116.1T95T95-G97 PolarHBondContact O-N 3.33Å
98K94.9Very high97.4Very high85 Ų8537.4 Ų37.437%0.3721%0.213SC..  trans-86.4155.3175.2-66.1-69-169.3154.50112.7D55 A94 T95 P96D55-K98 IonicContact OD1-NZ 3.8Å; A94-K98 HydrophobicContact CB-CB 4.32Å; T95-K98 VanDerWaalsContact O-CB 3.29Å; T95-K98 WeakPolarHBondContact O-CB 3.5Å; T95-K98 PolarHBondContact O-N 3.42Å; T95-K98 WeakPolarHBondContact OG1-CG 3.31Å; P96-K98 VanDerWaalsContact C-N 3.31Å; P96-K98 PolarHBondContact O-N 2.89Å
99P94.1Very high97.4Very high90 Ų9038.4 Ų38.458%0.58422%0.217SC*.THydrogen-bonded Turntrans-56158.9171-23.734.5000112.7A94 R101A94-P99 VanDerWaalsContact CB-O 3.28Å; A94-P99 WeakPolarHBondContact CB-O 3.39Å; P99-R101 PolarHBondContact O-N 3.46Å
100W95.4Very high97.4Very high113 Ų11344.1 Ų44.143%0.42824%0.239SC..THydrogen-bonded Turntrans68.2-5.7176-43.3118.6000116.4D59 W61 T102 E103 Q104D59-W100 HydrophobicContact CB-CZ2 4.19Å; W61-W100 HydrophobicContact CH2-CB 4.21Å; W61-W100 HydrophobicContact CH2-CE3 4.42Å; W61-W100 HydrophobicContact CZ3-CB 3.92Å; W61-W100 HydrophobicContact CZ3-CG 4.23Å; W100-T102 VanDerWaalsContact C-N 3.32Å; W100-T102 PolarHBondContact O-N 3Å; W100-E103 VanDerWaalsContact CA-OE2 3.25Å; W100-E103 WeakPolarHBondContact CA-OE2 3.46Å; W100-E103 PolarHBondContact O-N 3.2Å; W100-Q104 HydrophobicContact CB-CG 4.37Å; W100-Q104 WeakPolarHBondContact O-CB 3.4Å; W100-Q104 VanDerWaalsContact O-CG 3.28Å; W100-Q104 WeakPolarHBondContact O-CG 3.38Å; W100-Q104 PolarHBondContact O-N 3.25Å
101R96.8Very high97.4Very high15 Ų1544.1 Ų44.16%0.05724%0.239CC..Hα-helixtrans-56.1-44.6-178.9-175.4169.2175.487-2.5112.9I92 A94 P99 T105 H128 D129 E141I92-R101 HydrophobicContact CD1-CB 4.45Å; I92-R101 HydrophobicContact CD1-CG 3.61Å; A94-R101 HydrophobicContact CB-CB 3.76Å; A94-R101 HydrophobicContact CB-CG 4.41Å; A94-R101 PolarHBondContact O-NH1 3.14Å; P99-R101 PolarHBondContact O-N 3.46Å; R101-T105 VanDerWaalsContact O-CB 3.28Å; R101-T105 WeakPolarHBondContact O-CB 3.49Å; R101-T105 PolarHBondContact O-N 2.89Å; R101-T105 PolarHBondContact O-OG1 3.32Å; R101-H128 PolarHBondContact NH1-O 3.29Å; R101-D129 PolarHBondContact NH2-O 3.1Å; R101-E141 IonicContact CZ-OE1 3.8Å; R101-E141 VanDerWaalsContact CZ-OE1 3.25Å; R101-E141 IonicContact NE-OE1 3.91Å; R101-E141 PolarHBondContact NE-OE1 2.86Å; R101-E141 IonicContact NH2-OE1 2.81Å; R101-E141 PolarHBondContact NH2-OE1 3.01Å
102T97.4Very high97.4Very high99 Ų9944.2 Ų44.261%0.60724%0.239SC*.Hα-helixtrans-64.3-46.9178.3-60.10000111W100 T105 E106W100-T102 VanDerWaalsContact C-N 3.32Å; W100-T102 PolarHBondContact O-N 3Å; T102-T105 PolarHBondContact O-N 3.16Å; T102-E106 WeakPolarHBondContact O-CG 3.35Å; T102-E106 PolarHBondContact O-N 2.76Å
103E98.3Very high97.4Very high89 Ų8948.3 Ų48.342%0.41626%0.255SS..Hα-helixtrans-66-45.6-177.9-64.881.7174.900112W61 W100 T105 E106 D107W61-E103 HydrophobicContact CH2-CB 3.72Å; W61-E103 HydrophobicContact CZ2-CB 3.72Å; W100-E103 VanDerWaalsContact CA-OE2 3.25Å; W100-E103 WeakPolarHBondContact CA-OE2 3.46Å; W100-E103 PolarHBondContact O-N 3.2Å; E103-T105 VanDerWaalsContact C-N 3.33Å; E103-T105 PolarHBondContact O-N 3.12Å; E103-E106 PolarHBondContact O-N 3.28Å; E103-D107 WeakPolarHBondContact O-CB 3.38Å; E103-D107 PolarHBondContact O-N 3.11Å
104Q98.5Very high97.4Very high1 Ų151.7 Ų51.71%0.00528%0.276CS..Hα-helixtrans-60.2-42.7174.2-70.1173.77.600111.3F43 G58 W61 I92 A94 W100 L108F43-Q104 HydrophobicContact CB-CB 4.2Å; F43-Q104 HydrophobicContact CB-CG 4.29Å; F43-Q104 PolarHBondContact O-NE2 2.78Å; F43-Q104 PolarHBondContact O-OE1 3.05Å; G58-Q104 PolarHBondContact O-NE2 3.28Å; W61-Q104 HydrophobicContact CD2-CG 3.8Å; W61-Q104 HydrophobicContact CE3-CG 3.7Å; W61-Q104 HydrophobicContact CG-CG 4.44Å; W61-Q104 HydrophobicContact CH2-CG 4.17Å; W61-Q104 HydrophobicContact CZ2-CG 4.26Å; W61-Q104 HydrophobicContact CZ3-CG 3.9Å; I92-Q104 HydrophobicContact CB-CB 3.98Å; I92-Q104 HydrophobicContact CD1-CB 4.46Å; I92-Q104 HydrophobicContact CG2-CB 3.8Å; A94-Q104 VanDerWaalsContact CB-OE1 3.24Å; W100-Q104 HydrophobicContact CB-CG 4.37Å; W100-Q104 WeakPolarHBondContact O-CB 3.4Å; W100-Q104 VanDerWaalsContact O-CG 3.28Å; W100-Q104 WeakPolarHBondContact O-CG 3.38Å; W100-Q104 PolarHBondContact O-N 3.25Å; Q104-L108 WeakPolarHBondContact O-CB 3.48Å; Q104-L108 PolarHBondContact O-N 3.07Å
105T98.5Very high97.4Very high12 Ų1252 Ų527%0.07428%0.277CS..Hα-helixtrans-61.9-48.8177.8-60.60000111.1I92 R101 T102 E103 L108 K109 T145 W146I92-T105 WeakPolarHBondContact CD1-OG1 3.38Å; R101-T105 VanDerWaalsContact O-CB 3.28Å; R101-T105 WeakPolarHBondContact O-CB 3.49Å; R101-T105 PolarHBondContact O-N 2.89Å; R101-T105 PolarHBondContact O-OG1 3.32Å; T102-T105 PolarHBondContact O-N 3.16Å; E103-T105 VanDerWaalsContact C-N 3.33Å; E103-T105 PolarHBondContact O-N 3.12Å; T105-L108 PolarHBondContact O-N 3.5Å; T105-K109 HydrophobicContact CG2-CD 4.19Å; T105-K109 WeakPolarHBondContact O-CB 3.38Å; T105-K109 WeakPolarHBondContact O-CG 3.4Å; T105-K109 PolarHBondContact O-N 3.49Å; T105-T145 HydrophobicContact CG2-CG2 3.61Å; T105-W146 HydrophobicContact CG2-CH2 4.28Å; T105-W146 HydrophobicContact CG2-CZ2 3.73Å
106E98.4Very high97.5Very high80 Ų8052.6 Ų52.637%0.37428%0.279SS..Hα-helixtrans-67.6-37.1-177.6-73.7-51.5125.700112.4T102 E103 K109 R110T102-E106 WeakPolarHBondContact O-CG 3.35Å; T102-E106 PolarHBondContact O-N 2.76Å; E103-E106 PolarHBondContact O-N 3.28Å; E106-K109 PolarHBondContact O-N 3.39Å; E106-K109 IonicContact OE1-NZ 2.73Å; E106-R110 WeakPolarHBondContact O-CB 3.44Å; E106-R110 PolarHBondContact O-N 3.41Å
107D98.7Very high97.4Very high31 Ų3161.6 Ų61.617%0.16631%0.309CS..Hα-helixtrans-67.8-41.5175-83.6-1.7000112.3F43 W61 I65 E103 R110 V111F43-D107 HydrophobicContact CD2-CB 4.15Å; F43-D107 HydrophobicContact CE2-CB 4.09Å; W61-D107 PolarHBondContact NE1-OD2 3.19Å; I65-D107 HydrophobicContact CD1-CB 4.27Å; E103-D107 WeakPolarHBondContact O-CB 3.38Å; E103-D107 PolarHBondContact O-N 3.11Å; D107-R110 WeakPolarHBondContact O-CB 3.4Å; D107-R110 PolarHBondContact O-N 3.21Å; D107-R110 IonicContact OD1-CZ 3.48Å; D107-R110 IonicContact OD1-NH1 3.56Å; D107-R110 PolarHBondContact OD1-NH1 3.2Å; D107-R110 IonicContact OD1-NH2 2.63Å; D107-R110 PolarHBondContact OD1-NH2 2.81Å; D107-R110 IonicContact OD2-NH2 3.38Å; D107-R110 PolarHBondContact OD2-NH2 2.94Å; D107-V111 WeakPolarHBondContact O-CG2 3.44Å; D107-V111 PolarHBondContact O-N 3.15Å; D107-V111 VanDerWaalsContact O-N 3.08Å
108L98.8Very high97.6Very high0 Ų060.9 Ų60.90%030%0.296CS..Hα-helixtrans-62.3-47173.2178.664.8000110.8P41 F43 T68 L91 I92 Q104 T105 R110 V111 L112 W146P41-L108 HydrophobicContact CB-CD1 4.3Å; P41-L108 HydrophobicContact CG-CD1 4.27Å; F43-L108 HydrophobicContact CD1-CD1 4.29Å; F43-L108 HydrophobicContact CD2-CB 4.09Å; F43-L108 HydrophobicContact CE1-CD1 3.71Å; F43-L108 HydrophobicContact CE2-CB 3.93Å; F43-L108 HydrophobicContact CE2-CD1 4.33Å; F43-L108 HydrophobicContact CZ-CB 4.22Å; F43-L108 HydrophobicContact CZ-CD1 3.74Å; T68-L108 HydrophobicContact CG2-CD1 4.19Å; L91-L108 HydrophobicContact CB-CD2 3.61Å; L91-L108 VanDerWaalsContact O-CD2 3.32Å; L91-L108 WeakPolarHBondContact O-CD2 3.48Å; I92-L108 HydrophobicContact CG2-CB 4.34Å; I92-L108 HydrophobicContact CG2-CD2 4.07Å; Q104-L108 WeakPolarHBondContact O-CB 3.48Å; Q104-L108 PolarHBondContact O-N 3.07Å; T105-L108 PolarHBondContact O-N 3.5Å; L108-R110 VanDerWaalsContact C-N 3.27Å; L108-R110 PolarHBondContact O-N 3.15Å; L108-V111 PolarHBondContact O-N 2.97Å; L108-V111 VanDerWaalsContact O-N 3.14Å; L108-L112 HydrophobicContact CD1-CD1 3.9Å; L108-L112 HydrophobicContact CD1-CD2 4.4Å; L108-L112 HydrophobicContact CD1-CG 3.89Å; L108-L112 HydrophobicContact CD2-CD1 4.26Å; L108-L112 HydrophobicContact CG-CD1 3.78Å; L108-L112 HydrophobicContact CG-CG 4.13Å; L108-L112 WeakPolarHBondContact O-CB 3.17Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 3.02Å; L108-W146 HydrophobicContact CD2-CH2 3.82Å; L108-W146 HydrophobicContact CD2-CZ2 4.13Å; L108-W146 HydrophobicContact CG-CH2 4.23Å
109K98.6Very high97.7Very high21 Ų2157.1 Ų57.19%0.09128%0.279CS..Hα-helixtrans-57.7-40.7175.6-77179.7176.1173.60111.4F10 T105 E106 V111 L112 R113 T145 W146F10-K109 HydrophobicContact CD2-CD 4.13Å; F10-K109 HydrophobicContact CD2-CG 4.03Å; F10-K109 HydrophobicContact CE1-CG 4.36Å; F10-K109 HydrophobicContact CE2-CB 3.73Å; F10-K109 HydrophobicContact CE2-CD 4.14Å; F10-K109 HydrophobicContact CE2-CG 3.68Å; F10-K109 HydrophobicContact CZ-CB 3.84Å; F10-K109 HydrophobicContact CZ-CG 3.86Å; F10-K109 WeakPolarHBondContact CZ-O 3.46Å; T105-K109 HydrophobicContact CG2-CD 4.19Å; T105-K109 WeakPolarHBondContact O-CB 3.38Å; T105-K109 WeakPolarHBondContact O-CG 3.4Å; T105-K109 PolarHBondContact O-N 3.49Å; E106-K109 PolarHBondContact O-N 3.39Å; E106-K109 IonicContact OE1-NZ 2.73Å; K109-V111 PolarHBondContact O-N 3.2Å; K109-L112 PolarHBondContact O-N 3.26Å; K109-R113 WeakPolarHBondContact O-CB 3.16Å; K109-R113 WeakPolarHBondContact O-CG 3.38Å; K109-R113 PolarHBondContact O-N 2.78Å; K109-T145 WeakPolarHBondContact CE-O 3.32Å; K109-T145 PolarHBondContact NZ-O 3.04Å; K109-W146 HydrophobicContact CD-CH2 4.35Å; K109-W146 HydrophobicContact CD-CZ3 4.32Å; K109-W146 HydrophobicContact CG-CH2 3.54Å; K109-W146 HydrophobicContact CG-CZ3 3.56Å
110R98.6Very high97.9Very high120 Ų12053.7 Ų53.745%0.45326%0.257SS..Hα-helixtrans-58-47175.8-179.2-17764.7-140.5-2.4111.3E106 D107 L108E106-R110 WeakPolarHBondContact O-CB 3.44Å; E106-R110 PolarHBondContact O-N 3.41Å; D107-R110 WeakPolarHBondContact O-CB 3.4Å; D107-R110 PolarHBondContact O-N 3.21Å; D107-R110 IonicContact OD1-CZ 3.48Å; D107-R110 IonicContact OD1-NH1 3.56Å; D107-R110 PolarHBondContact OD1-NH1 3.2Å; D107-R110 IonicContact OD1-NH2 2.63Å; D107-R110 PolarHBondContact OD1-NH2 2.81Å; D107-R110 IonicContact OD2-NH2 3.38Å; D107-R110 PolarHBondContact OD2-NH2 2.94Å; L108-R110 VanDerWaalsContact C-N 3.27Å; L108-R110 PolarHBondContact O-N 3.15Å
111V98.8Very high98.1Very high2 Ų248.7 Ų48.71%0.01224%0.239CC..Hα-helixtrans-66.8-49.4178.1178.70000110.9F43 I65 T68 E69 V72 D107 L108 K109 R113 T114F43-V111 HydrophobicContact CZ-CG2 4.31Å; I65-V111 HydrophobicContact CG2-CG2 4.12Å; T68-V111 HydrophobicContact CG2-CG1 3.76Å; E69-V111 HydrophobicContact CB-CG1 4.39Å; E69-V111 HydrophobicContact CG-CB 4.41Å; E69-V111 HydrophobicContact CG-CG1 3.7Å; E69-V111 HydrophobicContact CG-CG2 3.83Å; V72-V111 HydrophobicContact CG2-CG1 4.2Å; D107-V111 WeakPolarHBondContact O-CG2 3.44Å; D107-V111 PolarHBondContact O-N 3.15Å; D107-V111 VanDerWaalsContact O-N 3.08Å; L108-V111 PolarHBondContact O-N 2.97Å; L108-V111 VanDerWaalsContact O-N 3.14Å; K109-V111 PolarHBondContact O-N 3.2Å; V111-R113 VanDerWaalsContact C-N 3.28Å; V111-R113 PolarHBondContact O-N 3.09Å; V111-T114 WeakPolarHBondContact O-CB 3.5Å; V111-T114 PolarHBondContact O-N 2.81Å; V111-T114 PolarHBondContact O-OG1 2.69Å
112L98.6Very high98.2Very high2 Ų248 Ų481%0.0124%0.236CC..Hα-helixtrans-65.3-27.4-177.3-65.9-178.1000113.6F10 T68 V72 F85 L87 L108 K109 T114 V115 L121F10-L112 HydrophobicContact CE1-CB 3.82Å; F10-L112 HydrophobicContact CE1-CD1 4.29Å; F10-L112 HydrophobicContact CZ-CB 4.05Å; T68-L112 HydrophobicContact CG2-CD2 4.3Å; V72-L112 HydrophobicContact CG2-CD2 4.4Å; F85-L112 HydrophobicContact CE1-CD2 4.33Å; L87-L112 HydrophobicContact CD1-CD1 3.71Å; L87-L112 HydrophobicContact CD1-CD2 3.85Å; L87-L112 HydrophobicContact CD1-CG 4.45Å; L108-L112 HydrophobicContact CD1-CD1 3.9Å; L108-L112 HydrophobicContact CD1-CD2 4.4Å; L108-L112 HydrophobicContact CD1-CG 3.89Å; L108-L112 HydrophobicContact CD2-CD1 4.26Å; L108-L112 HydrophobicContact CG-CD1 3.78Å; L108-L112 HydrophobicContact CG-CG 4.13Å; L108-L112 WeakPolarHBondContact O-CB 3.17Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 3.02Å; K109-L112 PolarHBondContact O-N 3.26Å; L112-T114 PolarHBondContact O-N 3.45Å; L112-T114 VanDerWaalsContact O-N 3.13Å; L112-V115 WeakPolarHBondContact O-CB 3.33Å; L112-V115 WeakPolarHBondContact O-CG2 3.17Å; L112-V115 PolarHBondContact O-N 3.39Å; L112-V115 VanDerWaalsContact O-N 3.08Å; L112-L121 HydrophobicContact CB-CD1 4.03Å
113R97.4Very high98.2Very high87 Ų8743.8 Ų43.833%0.32821%0.21SC..THydrogen-bonded Turntrans-60.1-19.5171.2-81.2171.2-172.8126.5-6.4113.1E6 F10 K109 V111 V115E6-R113 IonicContact OE1-NH2 3.4Å; F10-R113 HydrophobicContact CE2-CG 3.75Å; F10-R113 HydrophobicContact CZ-CG 3.83Å; K109-R113 WeakPolarHBondContact O-CB 3.16Å; K109-R113 WeakPolarHBondContact O-CG 3.38Å; K109-R113 PolarHBondContact O-N 2.78Å; V111-R113 VanDerWaalsContact C-N 3.28Å; V111-R113 PolarHBondContact O-N 3.09Å; R113-V115 VanDerWaalsContact C-N 3.33Å
114T98.3Very high98.3Very high80 Ų8039.5 Ų39.549%0.49119%0.19SC..THydrogen-bonded Turntrans-85.5-5178.673.60000113.5V72 N76 V111 L112 D116V72-T114 VanDerWaalsContact CG1-OG1 3.31Å; V72-T114 WeakPolarHBondContact CG1-OG1 3.25Å; N76-T114 PolarHBondContact ND2-O 3.07Å; V111-T114 WeakPolarHBondContact O-CB 3.5Å; V111-T114 PolarHBondContact O-N 2.81Å; V111-T114 PolarHBondContact O-OG1 2.69Å; L112-T114 PolarHBondContact O-N 3.45Å; L112-T114 VanDerWaalsContact O-N 3.13Å; T114-D116 PolarHBondContact O-N 2.84Å
115V98.5Very high98.3Very high12 Ų1239.5 Ų39.57%0.07319%0.19CC..SBendtrans-59.2135.7168175.60000108.9V72 F85 L112 R113 R117 I119 L121V72-V115 HydrophobicContact CB-CG2 4.21Å; V72-V115 HydrophobicContact CG1-CB 4.34Å; V72-V115 HydrophobicContact CG1-CG2 3.64Å; V72-V115 HydrophobicContact CG2-CG2 3.6Å; F85-V115 HydrophobicContact CD1-CG2 4.29Å; L112-V115 WeakPolarHBondContact O-CB 3.33Å; L112-V115 WeakPolarHBondContact O-CG2 3.17Å; L112-V115 PolarHBondContact O-N 3.39Å; L112-V115 VanDerWaalsContact O-N 3.08Å; R113-V115 VanDerWaalsContact C-N 3.33Å; V115-R117 PolarHBondContact O-N 3.01Å; V115-I119 HydrophobicContact CG1-CB 3.94Å; V115-I119 HydrophobicContact CG1-CG2 4.2Å; V115-L121 HydrophobicContact CB-CD2 4.45Å; V115-L121 HydrophobicContact CG1-CD2 4.31Å; V115-L121 HydrophobicContact CG2-CD2 4.18Å
116D98.1Very high98.3Very high54 Ų5438.9 Ų38.929%0.28919%0.186SC..  trans-52.4129.6179.6-170.6-47.4000109.8N76 K81 T114 A118 I119N76-D116 WeakPolarHBondContact OD1-CB 3.31Å; N76-D116 PolarHBondContact OD1-N 2.87Å; K81-D116 WeakPolarHBondContact CE-OD2 3.35Å; K81-D116 IonicContact NZ-OD2 2.71Å; K81-D116 PolarHBondContact NZ-OD2 3.14Å; T114-D116 PolarHBondContact O-N 2.84Å; D116-A118 PolarHBondContact O-N 3.04Å; D116-A118 WeakPolarHBondContact OD1-CB 3.17Å; D116-A118 PolarHBondContact OD1-N 3.16Å; D116-I119 HydrophobicContact CB-CD1 3.9Å; D116-I119 HydrophobicContact CB-CG1 4.22Å; D116-I119 WeakPolarHBondContact O-CB 3.19Å; D116-I119 PolarHBondContact O-N 3.21Å
117R95.9Very high98.3Very high219 Ų21935.2 Ų35.283%0.82617%0.169SC*.THydrogen-bonded Turntrans-59.6-18.6-175.1-66.8-178.4174.7-171.1-4.7113.5V115V115-R117 PolarHBondContact O-N 3.01Å
118A96.8Very high98.3Very high67 Ų6734.8 Ų34.855%0.55417%0.166SC*.THydrogen-bonded Turntrans-76.1-8173.600000113.9D116 P120D116-A118 PolarHBondContact O-N 3.04Å; D116-A118 WeakPolarHBondContact OD1-CB 3.17Å; D116-A118 PolarHBondContact OD1-N 3.16Å; A118-P120 WeakPolarHBondContact O-CD 3.17Å
119I98.3Very high98.2Very high5 Ų534.8 Ų34.83%0.02617%0.166CC..SBendtrans-113.796.6-178-52169.3000108.3I75 K81 P82 F85 V115 D116I75-I119 HydrophobicContact CG2-CD1 3.66Å; K81-I119 HydrophobicContact CB-CG1 4.31Å; K81-I119 HydrophobicContact CD-CD1 4.06Å; K81-I119 HydrophobicContact CD-CG1 4.42Å; P82-I119 HydrophobicContact CG-CD1 3.7Å; P82-I119 HydrophobicContact CG-CG1 4.05Å; P82-I119 HydrophobicContact CG-CG2 4Å; F85-I119 HydrophobicContact CB-CG2 3.94Å; V115-I119 HydrophobicContact CG1-CB 3.94Å; V115-I119 HydrophobicContact CG1-CG2 4.2Å; D116-I119 HydrophobicContact CB-CD1 3.9Å; D116-I119 HydrophobicContact CB-CG1 4.22Å; D116-I119 WeakPolarHBondContact O-CB 3.19Å; D116-I119 PolarHBondContact O-N 3.21Å
120P97.9Very high98.2Very high19 Ų1933.8 Ų33.812%0.12316%0.162CC..  trans-59144.7174-24.635.7000112.3A20 F21 K83 F84 F85 A118A20-P120 HydrophobicContact CB-CB 3.63Å; A20-P120 HydrophobicContact CB-CG 3.63Å; F21-P120 HydrophobicContact CE1-CG 4.48Å; F21-P120 HydrophobicContact CE2-CB 4.11Å; F21-P120 HydrophobicContact CE2-CG 4.13Å; F21-P120 HydrophobicContact CZ-CB 4.19Å; F21-P120 HydrophobicContact CZ-CG 3.76Å; K83-P120 WeakPolarHBondContact O-CD 3.22Å; F84-P120 VanDerWaalsContact CA-O 3.31Å; F84-P120 WeakPolarHBondContact CA-O 3.2Å; F84-P120 HydrophobicContact CB-CB 4.49Å; F84-P120 WeakPolarHBondContact CB-O 3.41Å; F85-P120 PolarHBondContact N-O 3.49Å; A118-P120 WeakPolarHBondContact O-CD 3.17Å
121L98.5Very high98.2Very high7 Ų728.6 Ų28.64%0.03715%0.146CC..EExtended strand (participates in β ladder)trans-89.4140.7171.8-65.6177.2000110.6V9 F10 F85 L112 V115V9-L121 HydrophobicContact CG1-CD1 4.06Å; F10-L121 HydrophobicContact CD1-CD1 4.2Å; F10-L121 HydrophobicContact CE1-CD1 3.76Å; F85-L121 HydrophobicContact CB-CD2 4.17Å; F85-L121 HydrophobicContact CD1-CD2 3.59Å; F85-L121 HydrophobicContact CE1-CD2 4.43Å; F85-L121 HydrophobicContact CG-CD2 4.24Å; F85-L121 CarbonylContact O-C 3.6Å; F85-L121 WeakPolarHBondContact O-CA 3.07Å; L112-L121 HydrophobicContact CB-CD1 4.03Å; V115-L121 HydrophobicContact CB-CD2 4.45Å; V115-L121 HydrophobicContact CG1-CD2 4.31Å; V115-L121 HydrophobicContact CG2-CD2 4.18Å
122V98.8Very high98.1Very high1 Ų133 Ų331%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-121118.3169.8-1770000107L18 F84 F85 V86 L87 F151 F153 V162L18-V122 HydrophobicContact CD2-CG2 3.74Å; F84-V122 HydrophobicContact CB-CG2 4.25Å; F84-V122 HydrophobicContact CD2-CB 4.45Å; F84-V122 HydrophobicContact CD2-CG2 3.68Å; F84-V122 HydrophobicContact CE2-CG2 4.31Å; F84-V122 HydrophobicContact CG-CG2 4.14Å; F85-V122 PolarHBondContact O-N 3.08Å; V86-V122 CarbonylContact C-O 3.52Å; V86-V122 VanDerWaalsContact CA-O 3.24Å; V86-V122 WeakPolarHBondContact CA-O 3.46Å; V86-V122 HydrophobicContact CB-CB 3.86Å; V86-V122 HydrophobicContact CB-CG1 4.31Å; V86-V122 HydrophobicContact CG2-CB 3.89Å; V86-V122 HydrophobicContact CG2-CG1 3.84Å; L87-V122 PolarHBondContact N-O 3.27Å; V122-F151 HydrophobicContact CG1-CE2 4.18Å; V122-F151 HydrophobicContact CG1-CZ 3.86Å; V122-F153 HydrophobicContact CG1-CE1 3.97Å; V122-F153 HydrophobicContact CG1-CZ 4.17Å; V122-F153 HydrophobicContact CG2-CE1 4.32Å; V122-F153 HydrophobicContact CG2-CE2 4.5Å; V122-F153 HydrophobicContact CG2-CZ 3.88Å; V122-V162 HydrophobicContact CG1-CG2 3.76Å
123L98.7Very high98.1Very high10 Ų1034.6 Ų34.65%0.05218%0.183CC..EExtended strand (participates in β ladder)trans-110.5130.3-175.5-57.9176.7000109.3F10 L87 L91 W146F10-L123 HydrophobicContact CD1-CD1 4.17Å; L87-L123 HydrophobicContact CB-CD2 4.19Å; L87-L123 HydrophobicContact CD1-CD2 4.01Å; L91-L123 HydrophobicContact CD2-CD2 4.44Å; L123-W146 HydrophobicContact CD1-CB 3.94Å; L123-W146 HydrophobicContact CD1-CD2 3.99Å; L123-W146 HydrophobicContact CD1-CE3 3.31Å; L123-W146 HydrophobicContact CD1-CG 4.3Å; L123-W146 HydrophobicContact CD1-CZ3 4.03Å
124V98.9Very high98.1Very high0 Ų030.5 Ų30.50%017%0.167CC..EExtended strand (participates in β ladder)trans-111.3142.4177-172.60000107.4V86 L87 G89 V162 F203V86-V124 HydrophobicContact CG2-CG2 3.92Å; L87-V124 WeakPolarHBondContact O-CB 3.48Å; L87-V124 WeakPolarHBondContact O-CG2 3.2Å; L87-V124 PolarHBondContact O-N 3.29Å; G89-V124 WeakPolarHBondContact CA-O 3.41Å; G89-V124 PolarHBondContact N-O 3.07Å; V124-V162 HydrophobicContact CB-CG1 4.34Å; V124-V162 HydrophobicContact CG1-CG1 4.22Å; V124-V162 HydrophobicContact CG2-CG1 3.97Å; V124-F203 HydrophobicContact CG2-CB 3.92Å
125S98.6Very high98.1Very high0 Ų028.3 Ų28.30%015%0.154CC..  trans-81.6137.2175.153.30000111.9H205S125-H205 WeakPolarHBondContact O-CB 3.07Å
126G98.7Very high98.1Very high0 Ų030.1 Ų30.10%017%0.17CC..  trans-113.6178.9169.300000113.6D90 H128 D129 I130 H205D90-G126 VanDerWaalsContact OD1-C 3.26Å; D90-G126 WeakPolarHBondContact OD1-CA 3.37Å; G126-H128 VanDerWaalsContact C-N 3.26Å; G126-H128 PolarHBondContact O-N 2.95Å; G126-D129 WeakPolarHBondContact CA-OD2 3.42Å; G126-D129 PolarHBondContact N-OD2 2.87Å; G126-D129 WeakPolarHBondContact O-CB 3.41Å; G126-D129 PolarHBondContact O-N 3.43Å; G126-I130 VanDerWaalsContact O-CG1 3.27Å; G126-I130 WeakPolarHBondContact O-CG1 3.24Å; G126-I130 PolarHBondContact O-N 2.71Å; G126-H205 WeakPolarHBondContact CA-CD2 3.28Å
127N98.4Very high98.2Very high2 Ų233.6 Ų33.61%0.01119%0.185CC..Hα-helixtrans-68.4-25-177.158.2-77.8000112.9D90 D129 G131 N132 Q166 H205 H247D90-N127 PolarHBondContact OD1-N 2.89Å; D90-N127 PolarHBondContact OD2-OD1 2.87Å; N127-D129 VanDerWaalsContact C-N 3.31Å; N127-G131 CarbonylContact O-C 3.34Å; N127-G131 VanDerWaalsContact O-C 3.25Å; N127-G131 WeakPolarHBondContact O-CA 3.31Å; N127-G131 PolarHBondContact O-N 2.95Å; N127-N132 WeakPolarHBondContact CB-OD1 3.44Å; N127-N132 PolarHBondContact ND2-OD1 3.02Å; N127-Q166 HydrophobicContact CB-CG 4.27Å; N127-H205 PolarHBondContact OD1-NE2 2.88Å; N127-H247 PolarHBondContact OD1-CE1 3.43Å; N127-H247 PolarHBondContact OD1-ND1 3.32Å
128H98.3Very high98.3Very high22 Ų2224.2 Ų24.210%0.10215%0.152CC..Hα-helixtrans-76.8-21.1171.5-73.2-106.7000113Q42 D90 I92 H93 T95 R101 G126Q42-H128 PolarHBondContact NE2-CD2 3.09Å; Q42-H128 PolarHBondContact NE2-CE1 3.14Å; Q42-H128 PolarHBondContact NE2-NE2 3.23Å; D90-H128 HydrophobicContact CB-CB 4.38Å; D90-H128 WeakPolarHBondContact OD1-CB 3.47Å; D90-H128 IonicContact OD1-CD2 3Å; D90-H128 IonicContact OD1-CG 2.63Å; D90-H128 PolarHBondContact OD1-N 3.08Å; D90-H128 IonicContact OD2-CD2 3.29Å; D90-H128 PolarHBondContact OD2-CD2 2.84Å; D90-H128 IonicContact OD2-CG 3.02Å; I92-H128 WeakPolarHBondContact O-CB 3.17Å; H93-H128 AromaticContact CE1-CE1 3.6Å; H93-H128 AromaticContact ND1-CE1 3.37Å; H93-H128 PolarHBondContact ND1-CE1 3.05Å; H93-H128 AromaticContact ND1-ND1 3.51Å; H93-H128 PolarHBondContact O-ND1 2.87Å; T95-H128 WeakPolarHBondContact CA-O 3.35Å; T95-H128 HydrophobicContact CG2-CB 4.45Å; R101-H128 PolarHBondContact NH1-O 3.29Å; G126-H128 VanDerWaalsContact C-N 3.26Å; G126-H128 PolarHBondContact O-N 2.95Å
129D98.4Very high98.4Very high0 Ų021.4 Ų21.40%013%0.128CC..Hα-helixtrans-82.3-38.2-179.7-55.7-52.9000112.1D90 L91 R101 G126 N127 F142D90-D129 WeakPolarHBondContact CA-OD2 3.35Å; D90-D129 PolarHBondContact N-OD2 3.17Å; L91-D129 WeakPolarHBondContact CB-OD1 3.46Å; L91-D129 PolarHBondContact N-OD1 3.15Å; L91-D129 PolarHBondContact N-OD2 3.49Å; R101-D129 PolarHBondContact NH2-O 3.1Å; G126-D129 WeakPolarHBondContact CA-OD2 3.42Å; G126-D129 PolarHBondContact N-OD2 2.87Å; G126-D129 WeakPolarHBondContact O-CB 3.41Å; G126-D129 PolarHBondContact O-N 3.43Å; N127-D129 VanDerWaalsContact C-N 3.31Å; D129-F142 HydrophobicContact CB-CD2 3.76Å; D129-F142 HydrophobicContact CB-CE2 3.94Å
130I98.5Very high98.4Very high0 Ų026.7 Ų26.70%015%0.152CC..Hα-helixtrans-126.2-3.5-17454.6170.6000114.6G126 P134 T138 F142 N164 Q166G126-I130 VanDerWaalsContact O-CG1 3.27Å; G126-I130 WeakPolarHBondContact O-CG1 3.24Å; G126-I130 PolarHBondContact O-N 2.71Å; I130-P134 HydrophobicContact CB-CB 4.34Å; I130-P134 HydrophobicContact CD1-CB 4.23Å; I130-P134 HydrophobicContact CG1-CB 4.41Å; I130-P134 WeakPolarHBondContact O-CA 3.23Å; I130-T138 VanDerWaalsContact O-CB 3.24Å; I130-T138 WeakPolarHBondContact O-CB 3.46Å; I130-T138 PolarHBondContact O-OG1 3.45Å; I130-F142 HydrophobicContact CG2-CB 3.48Å; I130-F142 VanDerWaalsContact CG2-CB 3.48Å; I130-F142 HydrophobicContact CG2-CD2 4.09Å; I130-F142 HydrophobicContact CG2-CG 3.89Å; I130-N164 VanDerWaalsContact CD1-ND2 3.33Å; I130-N164 WeakPolarHBondContact CD1-ND2 3.3Å; I130-N164 WeakPolarHBondContact CD1-OD1 3.38Å; I130-Q166 HydrophobicContact CD1-CB 3.57Å; I130-Q166 HydrophobicContact CD1-CG 3.63Å; I130-Q166 HydrophobicContact CG1-CB 4.22Å; I130-Q166 HydrophobicContact CG1-CG 3.82Å
131G98.1Very high98.4Very high12 Ų1228.8 Ų28.812%0.12416%0.161CC..  trans95.2153.7179.600000114.5N127 A133 Q166N127-G131 CarbonylContact O-C 3.34Å; N127-G131 VanDerWaalsContact O-C 3.25Å; N127-G131 WeakPolarHBondContact O-CA 3.31Å; N127-G131 PolarHBondContact O-N 2.95Å; G131-A133 PolarHBondContact O-N 3.38Å; G131-Q166 PolarHBondContact O-NE2 3.02Å
132N97.3Very high98.4Very high93 Ų9328.5 Ų28.550%0.49716%0.159SC..SBendtrans-61.1-31.4176.1-78.1-33000113.1N127 Q166 N170N127-N132 WeakPolarHBondContact CB-OD1 3.44Å; N127-N132 PolarHBondContact ND2-OD1 3.02Å; N132-Q166 VanDerWaalsContact CA-NE2 3.28Å; N132-Q166 PolarHBondContact O-NE2 3.14Å; N132-Q166 VanDerWaalsContact O-NE2 3.13Å; N132-N170 WeakPolarHBondContact O-CB 3.47Å
133A97.6Very high98.4Very high37 Ų3729.9 Ų29.931%0.30617%0.169SC..SBendtrans-126.189.1169.600000107.3G131 Q173G131-A133 PolarHBondContact O-N 3.38Å; A133-Q173 HydrophobicContact CB-CG 4.46Å
134P98.1Very high98.3Very high0 Ų035.4 Ų35.40%019%0.194CC..  trans-64.4148.1-174.427.2-36.7000111.6I130 V139 Q166 L167 N170 Q173 C174I130-P134 HydrophobicContact CB-CB 4.34Å; I130-P134 HydrophobicContact CD1-CB 4.23Å; I130-P134 HydrophobicContact CG1-CB 4.41Å; I130-P134 WeakPolarHBondContact O-CA 3.23Å; P134-V139 HydrophobicContact CB-CG2 4.01Å; P134-Q166 HydrophobicContact CG-CB 3.82Å; P134-L167 HydrophobicContact CG-CD2 4.09Å; P134-N170 WeakPolarHBondContact CD-O 3.36Å; P134-Q173 WeakPolarHBondContact O-CB 3.22Å; P134-C174 PolarHBondContact O-SG 3.09Å
135T98.7Very high98.2Very high35 Ų3536.6 Ų36.622%0.21520%0.202CC..  trans-109.5175170.175.60000109.8E137 T138 V139 Q173T135-E137 WeakPolarHBondContact CB-OE2 3.38Å; T135-E137 PolarHBondContact O-N 2.9Å; T135-E137 PolarHBondContact OG1-N 2.91Å; T135-E137 PolarHBondContact OG1-OE2 3.19Å; T135-T138 PolarHBondContact N-OG1 2.84Å; T135-T138 PolarHBondContact O-OG1 2.96Å; T135-T138 PolarHBondContact OG1-N 3.32Å; T135-V139 WeakPolarHBondContact O-CG2 3.13Å; T135-V139 PolarHBondContact O-N 3.37Å; T135-Q173 HydrophobicContact CG2-CB 3.95Å; T135-Q173 HydrophobicContact CG2-CG 4.42Å
136A98.4Very high98.2Very high50 Ų5036.9 Ų36.941%0.41320%0.203SC..Hα-helixtrans-61.6-36.9173.500000111.8E140 L177A136-E140 VanDerWaalsContact O-CB 3.3Å; A136-E140 WeakPolarHBondContact O-CB 3.32Å; A136-E140 PolarHBondContact O-N 3.45Å; A136-L177 HydrophobicContact CB-CD1 4.43Å
137E98.6Very high98.1Very high127 Ų12737 Ų3759%0.59320%0.203SC*.Hα-helixtrans-69.7-43.4-178.9-57.974.4-162.300111.8T135 V139 E140 E141T135-E137 WeakPolarHBondContact CB-OE2 3.38Å; T135-E137 PolarHBondContact O-N 2.9Å; T135-E137 PolarHBondContact OG1-N 2.91Å; T135-E137 PolarHBondContact OG1-OE2 3.19Å; E137-V139 VanDerWaalsContact C-N 3.35Å; E137-E140 PolarHBondContact O-N 2.94Å; E137-E141 WeakPolarHBondContact O-CB 3.41Å; E137-E141 PolarHBondContact O-N 3.32Å
138T98.6Very high98.1Very high22 Ų2238.2 Ų38.214%0.13521%0.21CC..Hα-helixtrans-69.5-34.6179.365.10000112.1P96 I130 T135 F142P96-T138 HydrophobicContact CB-CG2 3.62Å; P96-T138 HydrophobicContact CG-CG2 3.88Å; I130-T138 VanDerWaalsContact O-CB 3.24Å; I130-T138 WeakPolarHBondContact O-CB 3.46Å; I130-T138 PolarHBondContact O-OG1 3.45Å; T135-T138 PolarHBondContact N-OG1 2.84Å; T135-T138 PolarHBondContact O-OG1 2.96Å; T135-T138 PolarHBondContact OG1-N 3.32Å; T138-F142 PolarHBondContact O-N 2.82Å; T138-F142 VanDerWaalsContact O-N 3.16Å
139V98.8Very high98.1Very high8 Ų837.3 Ų37.35%0.04821%0.206CC..Hα-helixtrans-67.8-42172173.90000110.9P134 T135 E137 F142 C143 D149 L177P134-V139 HydrophobicContact CB-CG2 4.01Å; T135-V139 WeakPolarHBondContact O-CG2 3.13Å; T135-V139 PolarHBondContact O-N 3.37Å; E137-V139 VanDerWaalsContact C-N 3.35Å; V139-F142 PolarHBondContact O-N 3.3Å; V139-C143 PolarHBondContact O-N 3.39Å; V139-C143 PolarHBondContact O-SG 2.93Å; V139-C143 VanDerWaalsContact O-SG 3.34Å; V139-D149 HydrophobicContact CG1-CB 4.2Å; V139-D149 WeakPolarHBondContact CG1-OD2 3.35Å; V139-L177 HydrophobicContact CB-CD1 4.07Å; V139-L177 HydrophobicContact CG1-CD1 4.16Å; V139-L177 HydrophobicContact CG2-CD1 4.09Å
140E98.5Very high98.1Very high115 Ų11538.1 Ų38.154%0.53721%0.209SC..Hα-helixtrans-62.5-42.1175.8-178.5172.3-145.400111.9A136 E137 F142 C143 Q144A136-E140 VanDerWaalsContact O-CB 3.3Å; A136-E140 WeakPolarHBondContact O-CB 3.32Å; A136-E140 PolarHBondContact O-N 3.45Å; E137-E140 PolarHBondContact O-N 2.94Å; E140-F142 VanDerWaalsContact C-N 3.33Å; E140-F142 PolarHBondContact O-N 3.25Å; E140-C143 PolarHBondContact O-N 3.48Å; E140-C143 VanDerWaalsContact O-N 3.16Å; E140-Q144 HydrophobicContact CG-CG 4.34Å; E140-Q144 WeakPolarHBondContact O-CG 3.34Å; E140-Q144 PolarHBondContact O-N 2.74Å
141E98.2Very high98.2Very high64 Ų6438.2 Ų38.230%0.29921%0.21SC..Hα-helixtrans-58-44.5175.3-169.4-158.5135.700111.6R101 E137 Q144 T145R101-E141 IonicContact CZ-OE1 3.8Å; R101-E141 VanDerWaalsContact CZ-OE1 3.25Å; R101-E141 IonicContact NE-OE1 3.91Å; R101-E141 PolarHBondContact NE-OE1 2.86Å; R101-E141 IonicContact NH2-OE1 2.81Å; R101-E141 PolarHBondContact NH2-OE1 3.01Å; E137-E141 WeakPolarHBondContact O-CB 3.41Å; E137-E141 PolarHBondContact O-N 3.32Å; E141-Q144 PolarHBondContact O-N 3.01Å; E141-T145 WeakPolarHBondContact O-CB 3.39Å; E141-T145 PolarHBondContact O-N 3.36Å; E141-T145 VanDerWaalsContact O-N 3.08Å; E141-T145 PolarHBondContact O-OG1 2.76Å
142F98.6Very high98.2Very high0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-59.3-49.3173.5-179.8-87.3000111.2L91 D129 I130 T138 V139 E140 Q144 T145 W146 D149L91-F142 HydrophobicContact CD1-CE2 4.26Å; D129-F142 HydrophobicContact CB-CD2 3.76Å; D129-F142 HydrophobicContact CB-CE2 3.94Å; I130-F142 HydrophobicContact CG2-CB 3.48Å; I130-F142 VanDerWaalsContact CG2-CB 3.48Å; I130-F142 HydrophobicContact CG2-CD2 4.09Å; I130-F142 HydrophobicContact CG2-CG 3.89Å; T138-F142 PolarHBondContact O-N 2.82Å; T138-F142 VanDerWaalsContact O-N 3.16Å; V139-F142 PolarHBondContact O-N 3.3Å; E140-F142 VanDerWaalsContact C-N 3.33Å; E140-F142 PolarHBondContact O-N 3.25Å; F142-Q144 VanDerWaalsContact C-N 3.3Å; F142-Q144 PolarHBondContact O-N 3.3Å; F142-T145 PolarHBondContact O-N 3.01Å; F142-W146 HydrophobicContact CD1-CB 4.47Å; F142-W146 HydrophobicContact CD2-CB 4.45Å; F142-W146 AromaticContact CD2-CD1 3.53Å; F142-W146 HydrophobicContact CD2-CG 4.34Å; F142-W146 HydrophobicContact CE1-CB 4.05Å; F142-W146 HydrophobicContact CE2-CB 4.05Å; F142-W146 AromaticContact CE2-CD1 3.55Å; F142-W146 HydrophobicContact CE2-CG 4.04Å; F142-W146 HydrophobicContact CZ-CB 3.83Å; F142-W146 HydrophobicContact CZ-CG 4.31Å; F142-W146 PolarHBondContact O-N 3.39Å; F142-D149 HydrophobicContact CD1-CB 3.99Å; F142-D149 HydrophobicContact CE1-CB 4.3Å
143C98.3Very high98.2Very high31 Ų3134 Ų3421%0.20919%0.185CC..Hα-helixtrans-59.4-39.8179.6-710000112.9V139 E140 T145 G147V139-C143 PolarHBondContact O-N 3.39Å; V139-C143 PolarHBondContact O-SG 2.93Å; V139-C143 VanDerWaalsContact O-SG 3.34Å; E140-C143 PolarHBondContact O-N 3.48Å; E140-C143 VanDerWaalsContact O-N 3.16Å; C143-T145 PolarHBondContact O-N 2.73Å; C143-G147 VanDerWaalsContact CA-O 3.31Å; C143-G147 WeakPolarHBondContact CA-O 3.24Å; C143-G147 WeakPolarHBondContact O-CA 3.37Å; C143-G147 PolarHBondContact O-N 3Å; C143-G147 VanDerWaalsContact O-N 3.07Å
144Q97.2Very high98.1Very high125 Ų12533 Ų3358%0.58417%0.173SC*.Hα-helixtrans-68.7-22.9175-71177.59.300113H11 E140 E141 F142H11-Q144 PolarHBondContact NE2-O 2.9Å; E140-Q144 HydrophobicContact CG-CG 4.34Å; E140-Q144 WeakPolarHBondContact O-CG 3.34Å; E140-Q144 PolarHBondContact O-N 2.74Å; E141-Q144 PolarHBondContact O-N 3.01Å; F142-Q144 VanDerWaalsContact C-N 3.3Å; F142-Q144 PolarHBondContact O-N 3.3Å
145T97.1Very high98Very high26 Ų2633 Ų3316%0.1617%0.173CC..Hα-helixtrans-96.6-38.9-175.5-56.60000112.7T105 K109 E141 F142 C143T105-T145 HydrophobicContact CG2-CG2 3.61Å; K109-T145 WeakPolarHBondContact CE-O 3.32Å; K109-T145 PolarHBondContact NZ-O 3.04Å; E141-T145 WeakPolarHBondContact O-CB 3.39Å; E141-T145 PolarHBondContact O-N 3.36Å; E141-T145 VanDerWaalsContact O-N 3.08Å; E141-T145 PolarHBondContact O-OG1 2.76Å; F142-T145 PolarHBondContact O-N 3.01Å; C143-T145 PolarHBondContact O-N 2.73Å
146W97.6Very high97.7Very high5 Ų531.6 Ų31.62%0.01917%0.166CC..Hα-helixtrans-133.21.6-164.7-57.2116.6000114.6F10 L91 T105 L108 K109 L123 F142F10-W146 HydrophobicContact CB-CE3 4.33Å; F10-W146 HydrophobicContact CD1-CE3 4.03Å; F10-W146 AromaticContact CD1-CZ3 3.82Å; F10-W146 HydrophobicContact CD1-CZ3 3.82Å; F10-W146 HydrophobicContact CE1-CZ3 4.09Å; F10-W146 HydrophobicContact CG-CE3 4.31Å; F10-W146 HydrophobicContact CG-CZ3 4.28Å; F10-W146 CarbonylContact O-C 3.57Å; L91-W146 HydrophobicContact CB-CZ2 4.41Å; L91-W146 HydrophobicContact CD1-CD2 3.75Å; L91-W146 HydrophobicContact CD1-CE3 4.31Å; L91-W146 HydrophobicContact CD1-CG 4.02Å; L91-W146 HydrophobicContact CD1-CH2 4.44Å; L91-W146 HydrophobicContact CD1-CZ2 3.96Å; T105-W146 HydrophobicContact CG2-CH2 4.28Å; T105-W146 HydrophobicContact CG2-CZ2 3.73Å; L108-W146 HydrophobicContact CD2-CH2 3.82Å; L108-W146 HydrophobicContact CD2-CZ2 4.13Å; L108-W146 HydrophobicContact CG-CH2 4.23Å; K109-W146 HydrophobicContact CD-CH2 4.35Å; K109-W146 HydrophobicContact CD-CZ3 4.32Å; K109-W146 HydrophobicContact CG-CH2 3.54Å; K109-W146 HydrophobicContact CG-CZ3 3.56Å; L123-W146 HydrophobicContact CD1-CB 3.94Å; L123-W146 HydrophobicContact CD1-CD2 3.99Å; L123-W146 HydrophobicContact CD1-CE3 3.31Å; L123-W146 HydrophobicContact CD1-CG 4.3Å; L123-W146 HydrophobicContact CD1-CZ3 4.03Å; F142-W146 HydrophobicContact CD1-CB 4.47Å; F142-W146 HydrophobicContact CD2-CB 4.45Å; F142-W146 AromaticContact CD2-CD1 3.53Å; F142-W146 HydrophobicContact CD2-CG 4.34Å; F142-W146 HydrophobicContact CE1-CB 4.05Å; F142-W146 HydrophobicContact CE2-CB 4.05Å; F142-W146 AromaticContact CE2-CD1 3.55Å; F142-W146 HydrophobicContact CE2-CG 4.04Å; F142-W146 HydrophobicContact CZ-CB 3.83Å; F142-W146 HydrophobicContact CZ-CG 4.31Å; F142-W146 PolarHBondContact O-N 3.39Å
147G97.2Very high97.4Very high2 Ų229.4 Ų29.42%0.02115%0.148CC..SBendtrans83-178.8-173.900000113.3A13 C143 D149A13-G147 WeakPolarHBondContact O-CA 3.43Å; C143-G147 VanDerWaalsContact CA-O 3.31Å; C143-G147 WeakPolarHBondContact CA-O 3.24Å; C143-G147 WeakPolarHBondContact O-CA 3.37Å; C143-G147 PolarHBondContact O-N 3Å; C143-G147 VanDerWaalsContact O-N 3.07Å; G147-D149 PolarHBondContact O-N 3.03Å
148D98.5Very high97.3Very high28 Ų2823.4 Ų23.415%0.1512%0.12CC..  trans-51135-170.1-68.7-6.2000113.4A13 R14 G15 R16 Y150 F151A13-D148 HydrophobicContact CB-CB 4.28Å; A13-D148 PolarHBondContact O-N 3.37Å; R14-D148 VanDerWaalsContact CA-OD2 3.3Å; R14-D148 WeakPolarHBondContact CA-OD2 3.25Å; G15-D148 PolarHBondContact N-OD2 3.28Å; R16-D148 WeakPolarHBondContact CA-OD2 3.48Å; R16-D148 PolarHBondContact N-OD2 3.4Å; D148-Y150 VanDerWaalsContact C-N 3.29Å; D148-Y150 PolarHBondContact O-N 3.05Å; D148-F151 HydrophobicContact CB-CD1 4.28Å; D148-F151 VanDerWaalsContact O-CD1 3.25Å; D148-F151 WeakPolarHBondContact O-CD1 3.31Å; D148-F151 WeakPolarHBondContact O-CE1 3.34Å
149D98.4Very high97.2Very high3 Ų322.3 Ų22.32%0.01611%0.113CC..SBendtrans-72-19.6-177.969.3-46.5000114.6R16 V139 F142 G147 N164R16-D149 IonicContact CZ-OD1 2.66Å; R16-D149 IonicContact NH1-OD1 2.75Å; R16-D149 PolarHBondContact NH1-OD1 3.32Å; R16-D149 IonicContact NH2-OD1 3.36Å; R16-D149 PolarHBondContact NH2-OD1 2.77Å; V139-D149 HydrophobicContact CG1-CB 4.2Å; V139-D149 WeakPolarHBondContact CG1-OD2 3.35Å; F142-D149 HydrophobicContact CD1-CB 3.99Å; F142-D149 HydrophobicContact CE1-CB 4.3Å; G147-D149 PolarHBondContact O-N 3.03Å; D149-N164 HydrophobicContact CB-CB 4.4Å; D149-N164 PolarHBondContact OD2-ND2 2.84Å
150Y98.8Very high97.2Very high18 Ų1822 Ų227%0.07111%0.111CC..SBendtrans-146.8141.6169.165.5-96000109.9R16 D148 V162 Q181 W184R16-Y150 WeakPolarHBondContact CD-O 3.3Å; R16-Y150 HydrophobicContact CG-CE2 4.33Å; R16-Y150 VanDerWaalsContact NH1-CE1 3.29Å; R16-Y150 PolarHBondContact NH1-O 3.26Å; R16-Y150 VanDerWaalsContact NH2-CE1 3.31Å; R16-Y150 PolarHBondContact NH2-OH 3.08Å; D148-Y150 VanDerWaalsContact C-N 3.29Å; D148-Y150 PolarHBondContact O-N 3.05Å; Y150-V162 WeakPolarHBondContact CA-O 3.5Å; Y150-V162 VanDerWaalsContact CB-O 3.27Å; Y150-V162 WeakPolarHBondContact CB-O 3.49Å; Y150-Q181 VanDerWaalsContact CB-OE1 3.27Å; Y150-Q181 HydrophobicContact CD1-CB 4.14Å; Y150-Q181 HydrophobicContact CD1-CG 4.12Å; Y150-Q181 VanDerWaalsContact CD1-OE1 3.29Å; Y150-Q181 HydrophobicContact CD2-CG 4.36Å; Y150-Q181 HydrophobicContact CE1-CB 4Å; Y150-Q181 HydrophobicContact CE1-CG 4.45Å; Y150-Q181 HydrophobicContact CG-CG 4.09Å; Y150-W184 AromaticContact CD2-CD2 3.61Å; Y150-W184 HydrophobicContact CD2-CD2 3.61Å; Y150-W184 AromaticContact CD2-CE3 3.5Å; Y150-W184 HydrophobicContact CD2-CE3 3.5Å; Y150-W184 HydrophobicContact CD2-CG 4.14Å; Y150-W184 HydrophobicContact CD2-CH2 4.32Å; Y150-W184 HydrophobicContact CD2-CZ2 4.41Å; Y150-W184 AromaticContact CD2-CZ3 3.88Å; Y150-W184 HydrophobicContact CD2-CZ3 3.88Å; Y150-W184 HydrophobicContact CE2-CB 3.97Å; Y150-W184 AromaticContact CE2-CD2 3.7Å; Y150-W184 HydrophobicContact CE2-CD2 3.7Å; Y150-W184 AromaticContact CE2-CE3 3.94Å; Y150-W184 HydrophobicContact CE2-CE3 3.94Å; Y150-W184 AromaticContact CE2-CG 3.7Å; Y150-W184 HydrophobicContact CE2-CG 3.7Å; Y150-W184 HydrophobicContact CG-CE3 4.47Å
151F98.8Very high97.2Very high1 Ų116.5 Ų16.50%0.0049%0.085CC..EExtended strand (participates in β ladder)trans-167.8169.5-176.457.1-84.6000111A13 R16 L18 V122 D148 F153 V162 W184A13-F151 HydrophobicContact CB-CD1 3.68Å; A13-F151 HydrophobicContact CB-CD2 4.25Å; A13-F151 HydrophobicContact CB-CE1 3.52Å; A13-F151 HydrophobicContact CB-CE2 4.11Å; A13-F151 HydrophobicContact CB-CG 4.05Å; A13-F151 HydrophobicContact CB-CZ 3.73Å; R16-F151 VanDerWaalsContact C-CB 3.44Å; L18-F151 HydrophobicContact CB-CD2 4.22Å; L18-F151 HydrophobicContact CB-CE2 4.11Å; L18-F151 HydrophobicContact CD1-CE2 4.16Å; L18-F151 HydrophobicContact CD2-CE2 4.31Å; L18-F151 HydrophobicContact CG-CE2 4.44Å; V122-F151 HydrophobicContact CG1-CE2 4.18Å; V122-F151 HydrophobicContact CG1-CZ 3.86Å; D148-F151 HydrophobicContact CB-CD1 4.28Å; D148-F151 VanDerWaalsContact O-CD1 3.25Å; D148-F151 WeakPolarHBondContact O-CD1 3.31Å; D148-F151 WeakPolarHBondContact O-CE1 3.34Å; F151-F153 AromaticContact CD2-CD1 3.98Å; F151-F153 HydrophobicContact CD2-CD1 3.98Å; F151-F153 AromaticContact CE2-CD1 3.77Å; F151-F153 HydrophobicContact CE2-CD1 3.77Å; F151-F153 AromaticContact CE2-CE1 3.97Å; F151-F153 HydrophobicContact CE2-CE1 3.97Å; F151-V162 HydrophobicContact CD1-CB 3.98Å; F151-V162 HydrophobicContact CD1-CG1 4.14Å; F151-V162 HydrophobicContact CD2-CB 4.45Å; F151-V162 HydrophobicContact CD2-CG2 4.38Å; F151-V162 HydrophobicContact CE1-CB 3.79Å; F151-V162 HydrophobicContact CE1-CG1 3.69Å; F151-V162 HydrophobicContact CE1-CG2 4.02Å; F151-V162 HydrophobicContact CE2-CB 4.27Å; F151-V162 HydrophobicContact CE2-CG2 3.83Å; F151-V162 HydrophobicContact CG-CB 4.32Å; F151-V162 HydrophobicContact CZ-CB 3.95Å; F151-V162 HydrophobicContact CZ-CG1 4.14Å; F151-V162 HydrophobicContact CZ-CG2 3.64Å; F151-V162 PolarHBondContact N-O 3.14Å; F151-V162 VanDerWaalsContact N-O 3.1Å; F151-V162 PolarHBondContact O-N 3.22Å; F151-W184 VanDerWaalsContact C-CH2 3.45Å; F151-W184 WeakPolarHBondContact O-CH2 3.48Å
152S98.5Very high97.3Very high11 Ų1113.4 Ų13.48%0.0777%0.071CC..EExtended strand (participates in β ladder)trans-126.4156174.367.20000111.5R16 T17 F160 Q188R16-S152 PolarHBondContact O-N 2.91Å; R16-S152 VanDerWaalsContact O-N 3.08Å; T17-S152 WeakPolarHBondContact CA-O 3.42Å; S152-F160 CarbonylContact C-O 3.07Å; S152-F160 WeakPolarHBondContact CA-O 3.42Å; S152-F160 WeakPolarHBondContact CB-O 3.47Å; S152-Q188 PolarHBondContact OG-OE1 2.97Å
153F98.1Very high97.3Very high5 Ų513.4 Ų13.42%0.0227%0.071CC..EExtended strand (participates in β ladder)trans-155161.1174.662.1-82000110.9L18 F21 F84 V122 F151 V155 F160 V162 F203L18-F153 HydrophobicContact CB-CB 3.59Å; L18-F153 HydrophobicContact CB-CD1 4.16Å; L18-F153 HydrophobicContact CB-CG 3.93Å; L18-F153 HydrophobicContact CD2-CB 4.39Å; L18-F153 HydrophobicContact CD2-CD1 3.96Å; L18-F153 HydrophobicContact CD2-CD2 3.96Å; L18-F153 HydrophobicContact CD2-CE1 4.17Å; L18-F153 HydrophobicContact CD2-CE2 4.18Å; L18-F153 HydrophobicContact CD2-CG 3.85Å; L18-F153 HydrophobicContact CD2-CZ 4.28Å; F21-F153 AromaticContact CD2-CD2 3.81Å; F21-F153 HydrophobicContact CD2-CD2 3.81Å; F21-F153 HydrophobicContact CD2-CE2 4.28Å; F21-F153 HydrophobicContact CE2-CD2 4.37Å; F21-F153 HydrophobicContact CE2-CE2 4.39Å; F84-F153 HydrophobicContact CD1-CE2 4.43Å; F84-F153 HydrophobicContact CE1-CE2 4.17Å; F84-F153 HydrophobicContact CE2-CZ 4.46Å; F84-F153 HydrophobicContact CZ-CE2 4.35Å; F84-F153 HydrophobicContact CZ-CZ 4.34Å; V122-F153 HydrophobicContact CG1-CE1 3.97Å; V122-F153 HydrophobicContact CG1-CZ 4.17Å; V122-F153 HydrophobicContact CG2-CE1 4.32Å; V122-F153 HydrophobicContact CG2-CE2 4.5Å; V122-F153 HydrophobicContact CG2-CZ 3.88Å; F151-F153 AromaticContact CD2-CD1 3.98Å; F151-F153 HydrophobicContact CD2-CD1 3.98Å; F151-F153 AromaticContact CE2-CD1 3.77Å; F151-F153 HydrophobicContact CE2-CD1 3.77Å; F151-F153 AromaticContact CE2-CE1 3.97Å; F151-F153 HydrophobicContact CE2-CE1 3.97Å; F153-V155 HydrophobicContact CD2-CG2 3.74Å; F153-V155 HydrophobicContact CE2-CG2 3.75Å; F153-F160 HydrophobicContact CD1-CB 3.86Å; F153-F160 HydrophobicContact CD2-CB 4.02Å; F153-F160 HydrophobicContact CD2-CD2 4.14Å; F153-F160 HydrophobicContact CD2-CG 4.32Å; F153-F160 HydrophobicContact CE1-CB 3.49Å; F153-F160 VanDerWaalsContact CE1-CB 3.49Å; F153-F160 HydrophobicContact CE1-CG 4.35Å; F153-F160 HydrophobicContact CE2-CB 3.66Å; F153-F160 HydrophobicContact CE2-CD1 4.49Å; F153-F160 AromaticContact CE2-CD2 3.77Å; F153-F160 HydrophobicContact CE2-CD2 3.77Å; F153-F160 AromaticContact CE2-CG 3.72Å; F153-F160 HydrophobicContact CE2-CG 3.72Å; F153-F160 HydrophobicContact CG-CB 4.11Å; F153-F160 HydrophobicContact CZ-CB 3.38Å; F153-F160 HydrophobicContact CZ-CD1 4.28Å; F153-F160 HydrophobicContact CZ-CD2 4.28Å; F153-F160 AromaticContact CZ-CG 3.74Å; F153-F160 HydrophobicContact CZ-CG 3.74Å; F153-F160 PolarHBondContact N-O 3.24Å; F153-F160 PolarHBondContact O-N 3.24Å; F153-V162 HydrophobicContact CE1-CG2 4.13Å; F153-F203 HydrophobicContact CZ-CE2 4.18Å
154W96.2Very high97.3Very high18 Ų1812 Ų127%0.0686%0.061CC..EExtended strand (participates in β ladder)trans-108.6141.3178.3-67.184.3000109.7F21 E26 I158 L159 I191 R195 C197F21-W154 WeakPolarHBondContact CB-O 3.37Å; E26-W154 HydrophobicContact CB-CB 3.91Å; E26-W154 WeakPolarHBondContact CB-O 3.26Å; W154-I158 VanDerWaalsContact CA-O 3.3Å; W154-I158 WeakPolarHBondContact CA-O 3.06Å; W154-L159 HydrophobicContact CD2-CB 4.5Å; W154-L159 HydrophobicContact CD2-CD1 4.19Å; W154-L159 HydrophobicContact CE3-CB 4.22Å; W154-L159 HydrophobicContact CH2-CB 3.97Å; W154-L159 HydrophobicContact CH2-CD1 4.45Å; W154-L159 HydrophobicContact CZ2-CB 4.25Å; W154-L159 HydrophobicContact CZ2-CD1 3.86Å; W154-L159 HydrophobicContact CZ2-CG 4.45Å; W154-L159 HydrophobicContact CZ3-CB 3.95Å; W154-I191 HydrophobicContact CZ2-CG2 4.12Å; W154-R195 HydrophobicContact CH2-CB 4.48Å; W154-C197 HydrophobicContact CH2-CB 4Å; W154-C197 HydrophobicContact CZ3-CB 3.89Å
155V95.8Very high97.4Very high0 Ų06 Ų60%03%0.033CC..EExtended strand (participates in β ladder)trans-138.1119.9165.1-174.50000108.1F21 F33 K83 F84 F153 G157 I158 F160F21-V155 HydrophobicContact CD1-CG2 3.96Å; F21-V155 HydrophobicContact CD2-CG2 3.97Å; F21-V155 HydrophobicContact CE1-CG1 4.47Å; F21-V155 HydrophobicContact CE1-CG2 4.09Å; F21-V155 HydrophobicContact CE2-CG2 4.1Å; F21-V155 HydrophobicContact CG-CG2 3.9Å; F21-V155 HydrophobicContact CZ-CG2 4.16Å; F33-V155 HydrophobicContact CD2-CG1 4.25Å; F33-V155 HydrophobicContact CE1-CG1 4.31Å; F33-V155 WeakPolarHBondContact CE1-O 3.38Å; F33-V155 HydrophobicContact CE2-CB 4.27Å; F33-V155 HydrophobicContact CE2-CG1 3.89Å; F33-V155 HydrophobicContact CZ-CB 4.03Å; F33-V155 HydrophobicContact CZ-CG1 3.92Å; F33-V155 WeakPolarHBondContact CZ-O 3.47Å; K83-V155 HydrophobicContact CB-CG1 4.29Å; K83-V155 HydrophobicContact CD-CG1 4.46Å; K83-V155 HydrophobicContact CG-CG1 4.26Å; F84-V155 HydrophobicContact CD1-CG2 4.24Å; F84-V155 HydrophobicContact CE1-CG2 4.14Å; F153-V155 HydrophobicContact CD2-CG2 3.74Å; F153-V155 HydrophobicContact CE2-CG2 3.75Å; V155-G157 VanDerWaalsContact C-N 3.29Å; V155-G157 PolarHBondContact O-N 3Å; V155-G157 VanDerWaalsContact O-N 3.16Å; V155-I158 PolarHBondContact N-O 2.84Å; V155-I158 WeakPolarHBondContact O-CB 3.31Å; V155-I158 PolarHBondContact O-N 2.69Å; V155-F160 HydrophobicContact CB-CD2 4.3Å; V155-F160 HydrophobicContact CB-CE2 3.75Å; V155-F160 HydrophobicContact CG2-CD2 4.12Å; V155-F160 HydrophobicContact CG2-CE2 3.97Å
156G92.5Very high97.4Very high5 Ų54.9 Ų4.95%0.0523%0.026CC..THydrogen-bonded Turntrans46.445.9177.100000114.9E26 E28 W29E26-G156 PolarHBondContact O-N 3.06Å; E26-G156 PolarHBondContact OE2-N 3.4Å; E28-G156 CarbonylContact O-C 3.56Å; W29-G156 WeakPolarHBondContact CA-O 3.37Å
157G92.3Very high97.5Very high4 Ų44.6 Ų4.64%0.0413%0.025CC..THydrogen-bonded Turntrans86.8-1.1177.200000115.5E26 E28 V155E26-G157 PolarHBondContact O-N 2.69Å; E28-G157 VanDerWaalsContact C-CA 3.48Å; E28-G157 PolarHBondContact O-N 3.44Å; E28-G157 VanDerWaalsContact O-N 3.09Å; V155-G157 VanDerWaalsContact C-N 3.29Å; V155-G157 PolarHBondContact O-N 3Å; V155-G157 VanDerWaalsContact O-N 3.16Å
158I94.9Very high97.5Very high0 Ų05.3 Ų5.30%03%0.027CC..EExtended strand (participates in β ladder)trans-101.9132.2-179.7-50-50.6000109.7W29 F33 W154 V155 F160 Q198 H199 I201 V283W29-I158 HydrophobicContact CE3-CD1 3.88Å; W29-I158 HydrophobicContact CE3-CG1 4.39Å; W29-I158 HydrophobicContact CZ3-CD1 3.66Å; W29-I158 HydrophobicContact CZ3-CG1 3.99Å; F33-I158 HydrophobicContact CE1-CG1 3.84Å; F33-I158 HydrophobicContact CZ-CB 4.29Å; F33-I158 HydrophobicContact CZ-CG1 3.86Å; W154-I158 VanDerWaalsContact CA-O 3.3Å; W154-I158 WeakPolarHBondContact CA-O 3.06Å; V155-I158 PolarHBondContact N-O 2.84Å; V155-I158 WeakPolarHBondContact O-CB 3.31Å; V155-I158 PolarHBondContact O-N 2.69Å; I158-F160 HydrophobicContact CB-CD2 4.38Å; I158-F160 HydrophobicContact CB-CE2 3.67Å; I158-F160 HydrophobicContact CB-CZ 4.18Å; I158-F160 HydrophobicContact CG2-CD2 4.16Å; I158-F160 HydrophobicContact CG2-CE1 4.43Å; I158-F160 HydrophobicContact CG2-CE2 3.58Å; I158-F160 HydrophobicContact CG2-CZ 3.75Å; I158-Q198 HydrophobicContact CD1-CB 3.7Å; I158-Q198 HydrophobicContact CD1-CG 4.2Å; I158-H199 HydrophobicContact CD1-CB 3.92Å; I158-H199 HydrophobicContact CG2-CB 4.18Å; I158-I201 HydrophobicContact CG2-CD1 4.07Å; I158-I201 HydrophobicContact CG2-CG1 4.26Å; I158-V283 HydrophobicContact CD1-CG1 4.17Å; I158-V283 HydrophobicContact CG1-CG1 3.93Å
159L97.2Very high97.5Very high0 Ų06.7 Ų6.70%03%0.033CC..EExtended strand (participates in β ladder)trans-86.7125.5172-179.465.7000109.8W154 L161 A192 H199 A200 I201W154-L159 HydrophobicContact CD2-CB 4.5Å; W154-L159 HydrophobicContact CD2-CD1 4.19Å; W154-L159 HydrophobicContact CE3-CB 4.22Å; W154-L159 HydrophobicContact CH2-CB 3.97Å; W154-L159 HydrophobicContact CH2-CD1 4.45Å; W154-L159 HydrophobicContact CZ2-CB 4.25Å; W154-L159 HydrophobicContact CZ2-CD1 3.86Å; W154-L159 HydrophobicContact CZ2-CG 4.45Å; W154-L159 HydrophobicContact CZ3-CB 3.95Å; L159-L161 HydrophobicContact CD1-CD2 4.4Å; L159-L161 HydrophobicContact CD2-CD2 4.12Å; L159-L161 HydrophobicContact CG-CD2 4.12Å; L159-L161 HydrophobicContact CG-CG 4.4Å; L159-A192 HydrophobicContact CD2-CB 3.78Å; L159-H199 PolarHBondContact N-O 3.12Å; L159-A200 HydrophobicContact CB-CB 4.31Å; L159-A200 CarbonylContact O-C 3.5Å; L159-A200 VanDerWaalsContact O-CA 3.25Å; L159-A200 WeakPolarHBondContact O-CA 3.34Å; L159-I201 PolarHBondContact O-N 3.33Å
160F98.6Very high97.4Very high0 Ų09.3 Ų9.30%05%0.047CC..EExtended strand (participates in β ladder)trans-108.1137.6171.5-65.8-92000109.8F33 F35 F84 S152 F153 V155 I158 I201 F203F33-F160 HydrophobicContact CE2-CE2 4.43Å; F33-F160 HydrophobicContact CE2-CZ 4.02Å; F33-F160 HydrophobicContact CZ-CE2 4.08Å; F33-F160 AromaticContact CZ-CZ 3.94Å; F33-F160 HydrophobicContact CZ-CZ 3.94Å; F35-F160 HydrophobicContact CD1-CE1 4.4Å; F35-F160 HydrophobicContact CD1-CZ 4.5Å; F35-F160 AromaticContact CE1-CE1 3.84Å; F35-F160 HydrophobicContact CE1-CE1 3.84Å; F35-F160 HydrophobicContact CE1-CZ 4.21Å; F35-F160 HydrophobicContact CZ-CE1 4.22Å; F84-F160 HydrophobicContact CE1-CE1 4.19Å; F84-F160 HydrophobicContact CE1-CE2 4.39Å; F84-F160 HydrophobicContact CE1-CZ 4.02Å; F84-F160 HydrophobicContact CZ-CD1 4.12Å; F84-F160 AromaticContact CZ-CE1 3.72Å; F84-F160 HydrophobicContact CZ-CE1 3.72Å; F84-F160 HydrophobicContact CZ-CZ 4.03Å; S152-F160 CarbonylContact C-O 3.07Å; S152-F160 WeakPolarHBondContact CA-O 3.42Å; S152-F160 WeakPolarHBondContact CB-O 3.47Å; F153-F160 HydrophobicContact CD1-CB 3.86Å; F153-F160 HydrophobicContact CD2-CB 4.02Å; F153-F160 HydrophobicContact CD2-CD2 4.14Å; F153-F160 HydrophobicContact CD2-CG 4.32Å; F153-F160 HydrophobicContact CE1-CB 3.49Å; F153-F160 VanDerWaalsContact CE1-CB 3.49Å; F153-F160 HydrophobicContact CE1-CG 4.35Å; F153-F160 HydrophobicContact CE2-CB 3.66Å; F153-F160 HydrophobicContact CE2-CD1 4.49Å; F153-F160 AromaticContact CE2-CD2 3.77Å; F153-F160 HydrophobicContact CE2-CD2 3.77Å; F153-F160 AromaticContact CE2-CG 3.72Å; F153-F160 HydrophobicContact CE2-CG 3.72Å; F153-F160 HydrophobicContact CG-CB 4.11Å; F153-F160 HydrophobicContact CZ-CB 3.38Å; F153-F160 HydrophobicContact CZ-CD1 4.28Å; F153-F160 HydrophobicContact CZ-CD2 4.28Å; F153-F160 AromaticContact CZ-CG 3.74Å; F153-F160 HydrophobicContact CZ-CG 3.74Å; F153-F160 PolarHBondContact N-O 3.24Å; F153-F160 PolarHBondContact O-N 3.24Å; V155-F160 HydrophobicContact CB-CD2 4.3Å; V155-F160 HydrophobicContact CB-CE2 3.75Å; V155-F160 HydrophobicContact CG2-CD2 4.12Å; V155-F160 HydrophobicContact CG2-CE2 3.97Å; I158-F160 HydrophobicContact CB-CD2 4.38Å; I158-F160 HydrophobicContact CB-CE2 3.67Å; I158-F160 HydrophobicContact CB-CZ 4.18Å; I158-F160 HydrophobicContact CG2-CD2 4.16Å; I158-F160 HydrophobicContact CG2-CE1 4.43Å; I158-F160 HydrophobicContact CG2-CE2 3.58Å; I158-F160 HydrophobicContact CG2-CZ 3.75Å; F160-I201 CarbonylContact C-O 3.56Å; F160-I201 WeakPolarHBondContact CA-O 3.37Å; F160-I201 HydrophobicContact CD1-CB 3.81Å; F160-I201 HydrophobicContact CD1-CD1 4.38Å; F160-I201 HydrophobicContact CD1-CG2 4.04Å; F160-I201 HydrophobicContact CE1-CB 3.93Å; F160-I201 HydrophobicContact CE1-CD1 3.62Å; F160-I201 HydrophobicContact CE1-CG1 4.29Å; F160-I201 HydrophobicContact CE1-CG2 4.13Å; F160-I201 HydrophobicContact CZ-CD1 4.03Å; F160-F203 HydrophobicContact CB-CE2 4.3Å; F160-F203 HydrophobicContact CD1-CD2 4.4Å; F160-F203 AromaticContact CD1-CE2 3.39Å; F160-F203 HydrophobicContact CD1-CE2 3.39Å; F160-F203 AromaticContact CD1-CZ 3.7Å; F160-F203 HydrophobicContact CD1-CZ 3.7Å; F160-F203 HydrophobicContact CE1-CE2 4.09Å; F160-F203 AromaticContact CE1-CZ 3.96Å; F160-F203 HydrophobicContact CE1-CZ 3.96Å; F160-F203 HydrophobicContact CG-CE2 4.22Å
161L98.9Very high97.3Very high0 Ų010.3 Ų10.30%06%0.056CC..EExtended strand (participates in β ladder)trans-122.6126.4178.1-57.8173.4000108.5L159 W184 L185 Q188 L189 I201 V202 F203L159-L161 HydrophobicContact CD1-CD2 4.4Å; L159-L161 HydrophobicContact CD2-CD2 4.12Å; L159-L161 HydrophobicContact CG-CD2 4.12Å; L159-L161 HydrophobicContact CG-CG 4.4Å; L161-W184 HydrophobicContact CD2-CH2 4.14Å; L161-L185 HydrophobicContact CD1-CD1 4.03Å; L161-Q188 HydrophobicContact CD2-CB 3.73Å; L161-Q188 HydrophobicContact CD2-CG 4.02Å; L161-L189 HydrophobicContact CD1-CD2 3.74Å; L161-I201 PolarHBondContact N-O 2.99Å; L161-V202 HydrophobicContact CB-CG2 4.16Å; L161-V202 HydrophobicContact CD1-CG2 4.13Å; L161-V202 CarbonylContact O-C 3.58Å; L161-V202 WeakPolarHBondContact O-CA 3.35Å; L161-F203 PolarHBondContact O-N 3.03Å
162V98.9Very high97.3Very high0 Ų013.7 Ų13.70%08%0.08CC..EExtended strand (participates in β ladder)trans-105.4123.4170.7174.20000107.4V122 V124 Y150 F151 F153 F203V122-V162 HydrophobicContact CG1-CG2 3.76Å; V124-V162 HydrophobicContact CB-CG1 4.34Å; V124-V162 HydrophobicContact CG1-CG1 4.22Å; V124-V162 HydrophobicContact CG2-CG1 3.97Å; Y150-V162 WeakPolarHBondContact CA-O 3.5Å; Y150-V162 VanDerWaalsContact CB-O 3.27Å; Y150-V162 WeakPolarHBondContact CB-O 3.49Å; F151-V162 HydrophobicContact CD1-CB 3.98Å; F151-V162 HydrophobicContact CD1-CG1 4.14Å; F151-V162 HydrophobicContact CD2-CB 4.45Å; F151-V162 HydrophobicContact CD2-CG2 4.38Å; F151-V162 HydrophobicContact CE1-CB 3.79Å; F151-V162 HydrophobicContact CE1-CG1 3.69Å; F151-V162 HydrophobicContact CE1-CG2 4.02Å; F151-V162 HydrophobicContact CE2-CB 4.27Å; F151-V162 HydrophobicContact CE2-CG2 3.83Å; F151-V162 HydrophobicContact CG-CB 4.32Å; F151-V162 HydrophobicContact CZ-CB 3.95Å; F151-V162 HydrophobicContact CZ-CG1 4.14Å; F151-V162 HydrophobicContact CZ-CG2 3.64Å; F151-V162 PolarHBondContact N-O 3.14Å; F151-V162 VanDerWaalsContact N-O 3.1Å; F151-V162 PolarHBondContact O-N 3.22Å; F153-V162 HydrophobicContact CE1-CG2 4.13Å; V162-F203 WeakPolarHBondContact CA-O 3.37Å; V162-F203 HydrophobicContact CG2-CB 4.23Å; V162-F203 HydrophobicContact CG2-CD2 4.07Å
163L98.9Very high97.3Very high0 Ų019.3 Ų19.30%010%0.104CC..  trans-115.3139.4-178.6-52.3-177.9000111S165 Y168 W184 L185 V202 F203 Q204L163-S165 PolarHBondContact O-N 2.79Å; L163-Y168 HydrophobicContact CB-CE2 4.38Å; L163-Y168 HydrophobicContact CD1-CE2 4.2Å; L163-W184 HydrophobicContact CD2-CH2 4.49Å; L163-W184 HydrophobicContact CD2-CZ3 3.72Å; L163-L185 HydrophobicContact CD1-CD2 4.37Å; L163-L185 HydrophobicContact CD2-CD1 4.03Å; L163-V202 HydrophobicContact CD1-CG1 3.65Å; L163-V202 HydrophobicContact CG-CG1 3.9Å; L163-F203 PolarHBondContact N-O 2.74Å; L163-Q204 HydrophobicContact CB-CB 4.22Å
164N98.8Very high97.2Very high0 Ų019.2 Ų19.20%011%0.105CC..  trans-77.8100.3164.6179.6-18.4000108.5I130 D149 Q166 L167 Q181I130-N164 VanDerWaalsContact CD1-ND2 3.33Å; I130-N164 WeakPolarHBondContact CD1-ND2 3.3Å; I130-N164 WeakPolarHBondContact CD1-OD1 3.38Å; D149-N164 HydrophobicContact CB-CB 4.4Å; D149-N164 PolarHBondContact OD2-ND2 2.84Å; N164-Q166 VanDerWaalsContact C-N 3.31Å; N164-Q166 PolarHBondContact O-N 3.04Å; N164-Q166 WeakPolarHBondContact OD1-CB 3.45Å; N164-Q166 PolarHBondContact OD1-N 2.93Å; N164-Q166 VanDerWaalsContact OD1-N 3.16Å; N164-L167 HydrophobicContact CB-CD1 4.03Å; N164-L167 HydrophobicContact CB-CG 4.23Å; N164-L167 PolarHBondContact O-N 2.89Å; N164-Q181 VanDerWaalsContact CB-OE1 3.29Å; N164-Q181 PolarHBondContact O-NE2 3.41Å
165S98.7Very high97.3Very high0 Ų022.6 Ų22.60%013%0.129CC..THydrogen-bonded Turntrans-71.9-22.5-177.348.10000114.1L163 L167 Y168 Q169 H205 I206L163-S165 PolarHBondContact O-N 2.79Å; S165-L167 PolarHBondContact O-N 2.86Å; S165-Y168 WeakPolarHBondContact O-CA 3.3Å; S165-Y168 WeakPolarHBondContact O-CB 3.33Å; S165-Y168 PolarHBondContact O-N 2.89Å; S165-Q169 PolarHBondContact O-N 2.71Å; S165-Q169 VanDerWaalsContact O-N 3.11Å; S165-H205 PolarHBondContact OG-N 3.34Å; S165-I206 PolarHBondContact OG-N 3.36Å
166Q98.4Very high97.5Very high2 Ų226.4 Ų26.41%0.00916%0.155CC..Hα-helixtrans-63.7-29.1178-71.7-58.110100112.4N127 I130 G131 N132 P134 N164 Y168 Q169 N170N127-Q166 HydrophobicContact CB-CG 4.27Å; I130-Q166 HydrophobicContact CD1-CB 3.57Å; I130-Q166 HydrophobicContact CD1-CG 3.63Å; I130-Q166 HydrophobicContact CG1-CB 4.22Å; I130-Q166 HydrophobicContact CG1-CG 3.82Å; G131-Q166 PolarHBondContact O-NE2 3.02Å; N132-Q166 VanDerWaalsContact CA-NE2 3.28Å; N132-Q166 PolarHBondContact O-NE2 3.14Å; N132-Q166 VanDerWaalsContact O-NE2 3.13Å; P134-Q166 HydrophobicContact CG-CB 3.82Å; N164-Q166 VanDerWaalsContact C-N 3.31Å; N164-Q166 PolarHBondContact O-N 3.04Å; N164-Q166 WeakPolarHBondContact OD1-CB 3.45Å; N164-Q166 PolarHBondContact OD1-N 2.93Å; N164-Q166 VanDerWaalsContact OD1-N 3.16Å; Q166-Y168 PolarHBondContact O-N 2.86Å; Q166-Q169 PolarHBondContact O-N 3.32Å; Q166-N170 PolarHBondContact O-N 3.09Å
167L98.6Very high97.7Very high0 Ų028.4 Ų28.40%017%0.165CC..Hα-helixtrans-67.8-23.5174-58.7177.3000112.2P134 N164 S165 P171 C174 L177 K178 Q181P134-L167 HydrophobicContact CG-CD2 4.09Å; N164-L167 HydrophobicContact CB-CD1 4.03Å; N164-L167 HydrophobicContact CB-CG 4.23Å; N164-L167 PolarHBondContact O-N 2.89Å; S165-L167 PolarHBondContact O-N 2.86Å; L167-P171 WeakPolarHBondContact O-CB 3.02Å; L167-P171 WeakPolarHBondContact O-CD 3.14Å; L167-P171 WeakPolarHBondContact O-CG 3.37Å; L167-C174 WeakPolarHBondContact CD2-SG 3.17Å; L167-L177 HydrophobicContact CD1-CB 4.38Å; L167-L177 HydrophobicContact CD2-CB 4.18Å; L167-K178 HydrophobicContact CB-CB 4.2Å; L167-K178 HydrophobicContact CB-CD 3.84Å; L167-K178 WeakPolarHBondContact O-CD 3.28Å; L167-K178 WeakPolarHBondContact O-CE 3.35Å; L167-Q181 HydrophobicContact CD1-CB 4.18Å
168Y98.3Very high98Very high16 Ų1630 Ų306%0.06317%0.17CC..Hα-helixtrans-83.4-33171-62.6-65.8000112.3L163 S165 Q166 K178 Q181 D182 L185 L231L163-Y168 HydrophobicContact CB-CE2 4.38Å; L163-Y168 HydrophobicContact CD1-CE2 4.2Å; S165-Y168 WeakPolarHBondContact O-CA 3.3Å; S165-Y168 WeakPolarHBondContact O-CB 3.33Å; S165-Y168 PolarHBondContact O-N 2.89Å; Q166-Y168 PolarHBondContact O-N 2.86Å; Y168-K178 HydrophobicContact CD1-CD 4.25Å; Y168-K178 HydrophobicContact CE1-CD 4.24Å; Y168-K178 VanDerWaalsContact CE1-CE 3.43Å; Y168-K178 VanDerWaalsContact CE1-NZ 3.31Å; Y168-Q181 VanDerWaalsContact CZ-NE2 3.34Å; Y168-Q181 PolarHBondContact OH-NE2 2.77Å; Y168-D182 WeakPolarHBondContact CE1-OD1 3.33Å; Y168-L185 WeakPolarHBondContact OH-CD2 3.26Å; Y168-L231 HydrophobicContact CD1-CD2 4.39Å; Y168-L231 HydrophobicContact CD2-CD2 3.98Å; Y168-L231 HydrophobicContact CE1-CD1 4.49Å; Y168-L231 HydrophobicContact CE1-CD2 4.4Å; Y168-L231 HydrophobicContact CE2-CD2 3.97Å; Y168-L231 HydrophobicContact CG-CD2 4.25Å
169Q97.6Very high98.2Very high58 Ų5836.6 Ų36.627%0.27120%0.201SC..Hα-helixtrans-74.6-53.2-179-172.565200112.5S165 Q166 I206 L223S165-Q169 PolarHBondContact O-N 2.71Å; S165-Q169 VanDerWaalsContact O-N 3.11Å; Q166-Q169 PolarHBondContact O-N 3.32Å; Q169-I206 HydrophobicContact CB-CD1 3.53Å; Q169-I206 HydrophobicContact CG-CD1 3.77Å; Q169-L223 HydrophobicContact CB-CD2 4.1Å
170N97.6Very high98.3Very high58 Ų5838.4 Ų38.431%0.3122%0.216SC..  trans-152.581.8-176.9-171.8-8.5000112.5N132 P134 Q166 S172N132-N170 WeakPolarHBondContact O-CB 3.47Å; P134-N170 WeakPolarHBondContact CD-O 3.36Å; Q166-N170 PolarHBondContact O-N 3.09Å; N170-S172 PolarHBondContact O-N 2.81Å; N170-S172 VanDerWaalsContact OD1-CB 3.25Å; N170-S172 WeakPolarHBondContact OD1-CB 3.3Å; N170-S172 PolarHBondContact OD1-N 2.89Å; N170-S172 PolarHBondContact OD1-OG 3.39Å
171P96.5Very high98.3Very high39 Ų3938.4 Ų38.425%0.25322%0.216SC..  trans-82.614.2179.134.2-35.9000114L167 Q173 C174 P175 K178L167-P171 WeakPolarHBondContact O-CB 3.02Å; L167-P171 WeakPolarHBondContact O-CD 3.14Å; L167-P171 WeakPolarHBondContact O-CG 3.37Å; P171-Q173 PolarHBondContact O-N 2.85Å; P171-Q173 VanDerWaalsContact O-N 3.09Å; P171-C174 CarbonylContact O-C 3.56Å; P171-C174 PolarHBondContact O-N 3.08Å; P171-P175 WeakPolarHBondContact O-CD 3.35Å; P171-P175 VanDerWaalsContact O-N 3.14Å; P171-K178 HydrophobicContact CB-CB 3.69Å; P171-K178 HydrophobicContact CB-CG 4.01Å; P171-K178 HydrophobicContact CG-CB 4.46Å; P171-K178 HydrophobicContact CG-CG 4.26Å
172S98.1Very high98.3Very high72 Ų7240.3 Ų40.350%0.50323%0.227SC..THydrogen-bonded Turntrans-57.9-30.1-167.557.90000114.5N170N170-S172 PolarHBondContact O-N 2.81Å; N170-S172 VanDerWaalsContact OD1-CB 3.25Å; N170-S172 WeakPolarHBondContact OD1-CB 3.3Å; N170-S172 PolarHBondContact OD1-N 2.89Å; N170-S172 PolarHBondContact OD1-OG 3.39Å
173Q98.1Very high98.3Very high128 Ų12846 Ų4660%0.59825%0.253SS*.THydrogen-bonded Turntrans-95.6-6.1179.3-56.3-63.6-43.300113.7A133 P134 T135 P171A133-Q173 HydrophobicContact CB-CG 4.46Å; P134-Q173 WeakPolarHBondContact O-CB 3.22Å; T135-Q173 HydrophobicContact CG2-CB 3.95Å; T135-Q173 HydrophobicContact CG2-CG 4.42Å; P171-Q173 PolarHBondContact O-N 2.85Å; P171-Q173 VanDerWaalsContact O-N 3.09Å
174C97.3Very high98.3Very high4 Ų447.1 Ų47.13%0.02726%0.257CS..  trans-148.852.1-178.360.80000113.6P134 L167 P171 S176 L177 K178P134-C174 PolarHBondContact O-SG 3.09Å; L167-C174 WeakPolarHBondContact CD2-SG 3.17Å; P171-C174 CarbonylContact O-C 3.56Å; P171-C174 PolarHBondContact O-N 3.08Å; C174-S176 PolarHBondContact O-N 2.95Å; C174-S176 VanDerWaalsContact O-N 3.09Å; C174-L177 HydrophobicContact CB-CB 4.24Å; C174-L177 HydrophobicContact CB-CD1 3.96Å; C174-L177 HydrophobicContact CB-CG 4.13Å; C174-L177 PolarHBondContact O-N 3.36Å; C174-K178 PolarHBondContact O-N 3.16Å
175P97.9Very high98.3Very high88 Ų8847.1 Ų47.157%0.57126%0.257SS*.Hα-helixtrans-60.2-27.9-174.524.9-35.3000113.8P171 K178 Q179P171-P175 WeakPolarHBondContact O-CD 3.35Å; P171-P175 VanDerWaalsContact O-N 3.14Å; P175-K178 PolarHBondContact O-N 3.16Å; P175-Q179 PolarHBondContact O-N 2.91Å
176S98.5Very high98.3Very high80 Ų8050.8 Ų50.856%0.55928%0.277SS*.Hα-helixtrans-66.6-37.8175.253.30000112.9C174 Q179 A180C174-S176 PolarHBondContact O-N 2.95Å; C174-S176 VanDerWaalsContact O-N 3.09Å; S176-Q179 PolarHBondContact O-N 3.49Å; S176-A180 PolarHBondContact O-N 3.04Å
177L98.6Very high98.3Very high48 Ų4855.2 Ų55.225%0.25130%0.298SS..Hα-helixtrans-67.5-40.7176.4-64.6-173.6000111A136 V139 L167 C174 Q179 A180 Q181A136-L177 HydrophobicContact CB-CD1 4.43Å; V139-L177 HydrophobicContact CB-CD1 4.07Å; V139-L177 HydrophobicContact CG1-CD1 4.16Å; V139-L177 HydrophobicContact CG2-CD1 4.09Å; L167-L177 HydrophobicContact CD1-CB 4.38Å; L167-L177 HydrophobicContact CD2-CB 4.18Å; C174-L177 HydrophobicContact CB-CB 4.24Å; C174-L177 HydrophobicContact CB-CD1 3.96Å; C174-L177 HydrophobicContact CB-CG 4.13Å; C174-L177 PolarHBondContact O-N 3.36Å; L177-Q179 VanDerWaalsContact C-N 3.35Å; L177-Q179 PolarHBondContact O-N 3.44Å; L177-A180 PolarHBondContact O-N 2.8Å; L177-Q181 PolarHBondContact O-N 2.77Å
178K98.6Very high98.2Very high36 Ų3656.3 Ų56.316%0.15730%0.303CS..Hα-helixtrans-59.1-46172.2174.852.7160.184.20111.9L167 Y168 P171 C174 P175 A180 Q181 D182L167-K178 HydrophobicContact CB-CB 4.2Å; L167-K178 HydrophobicContact CB-CD 3.84Å; L167-K178 WeakPolarHBondContact O-CD 3.28Å; L167-K178 WeakPolarHBondContact O-CE 3.35Å; Y168-K178 HydrophobicContact CD1-CD 4.25Å; Y168-K178 HydrophobicContact CE1-CD 4.24Å; Y168-K178 VanDerWaalsContact CE1-CE 3.43Å; Y168-K178 VanDerWaalsContact CE1-NZ 3.31Å; P171-K178 HydrophobicContact CB-CB 3.69Å; P171-K178 HydrophobicContact CB-CG 4.01Å; P171-K178 HydrophobicContact CG-CB 4.46Å; P171-K178 HydrophobicContact CG-CG 4.26Å; C174-K178 PolarHBondContact O-N 3.16Å; P175-K178 PolarHBondContact O-N 3.16Å; K178-A180 VanDerWaalsContact C-N 3.31Å; K178-A180 PolarHBondContact O-N 3.06Å; K178-Q181 PolarHBondContact O-N 2.84Å; K178-D182 IonicContact NZ-OD1 3.11Å; K178-D182 PolarHBondContact NZ-OD1 2.95Å; K178-D182 IonicContact NZ-OD2 3.16Å; K178-D182 PolarHBondContact NZ-OD2 2.93Å; K178-D182 PolarHBondContact O-N 2.88Å
179Q98.8Very high98.1Very high139 Ų13955.9 Ų55.965%0.6530%0.301SS*.Hα-helixtrans-61.2-41.3177.3-173.8178.522.600111.8P175 S176 L177 D182 Q183P175-Q179 PolarHBondContact O-N 2.91Å; S176-Q179 PolarHBondContact O-N 3.49Å; L177-Q179 VanDerWaalsContact C-N 3.35Å; L177-Q179 PolarHBondContact O-N 3.44Å; Q179-D182 PolarHBondContact O-N 3.06Å; Q179-Q183 PolarHBondContact O-N 2.67Å
180A98.8Very high98.1Very high39 Ų3954.7 Ų54.732%0.32230%0.3SS..Hα-helixtrans-63.2-43.8176.900000112.3S176 L177 K178 Q183 W184S176-A180 PolarHBondContact O-N 3.04Å; L177-A180 PolarHBondContact O-N 2.8Å; K178-A180 VanDerWaalsContact C-N 3.31Å; K178-A180 PolarHBondContact O-N 3.06Å; A180-Q183 PolarHBondContact O-N 3.36Å; A180-W184 WeakPolarHBondContact O-CB 3.43Å; A180-W184 PolarHBondContact O-N 2.91Å
181Q98.8Very high97.9Very high0 Ų054.5 Ų54.50%030%0.298CS..Hα-helixtrans-64.4-40.6174.6-177172.6-87.700111.7Y150 N164 L167 Y168 L177 K178 W184 L185Y150-Q181 VanDerWaalsContact CB-OE1 3.27Å; Y150-Q181 HydrophobicContact CD1-CB 4.14Å; Y150-Q181 HydrophobicContact CD1-CG 4.12Å; Y150-Q181 VanDerWaalsContact CD1-OE1 3.29Å; Y150-Q181 HydrophobicContact CD2-CG 4.36Å; Y150-Q181 HydrophobicContact CE1-CB 4Å; Y150-Q181 HydrophobicContact CE1-CG 4.45Å; Y150-Q181 HydrophobicContact CG-CG 4.09Å; N164-Q181 VanDerWaalsContact CB-OE1 3.29Å; N164-Q181 PolarHBondContact O-NE2 3.41Å; L167-Q181 HydrophobicContact CD1-CB 4.18Å; Y168-Q181 VanDerWaalsContact CZ-NE2 3.34Å; Y168-Q181 PolarHBondContact OH-NE2 2.77Å; L177-Q181 PolarHBondContact O-N 2.77Å; K178-Q181 PolarHBondContact O-N 2.84Å; Q181-W184 PolarHBondContact O-N 3.25Å; Q181-L185 VanDerWaalsContact O-CB 3.26Å; Q181-L185 WeakPolarHBondContact O-CB 3.38Å; Q181-L185 PolarHBondContact O-N 2.92Å
182D98.8Very high97.6Very high40 Ų4052.7 Ų52.721%0.21429%0.286CS..Hα-helixtrans-60.8-46.6177.3-82.7-14.2000112.1Y168 K178 Q179 L185 D186Y168-D182 WeakPolarHBondContact CE1-OD1 3.33Å; K178-D182 IonicContact NZ-OD1 3.11Å; K178-D182 PolarHBondContact NZ-OD1 2.95Å; K178-D182 IonicContact NZ-OD2 3.16Å; K178-D182 PolarHBondContact NZ-OD2 2.93Å; K178-D182 PolarHBondContact O-N 2.88Å; Q179-D182 PolarHBondContact O-N 3.06Å; D182-L185 PolarHBondContact O-N 3.21Å; D182-D186 PolarHBondContact O-N 3.33Å
183Q98.8Very high97.3Very high119 Ų11954.7 Ų54.756%0.55628%0.283SS*.Hα-helixtrans-62.4-48.1177.3179.7-180-1100111Q179 A180 L185 D186 E187Q179-Q183 PolarHBondContact O-N 2.67Å; A180-Q183 PolarHBondContact O-N 3.36Å; Q183-L185 VanDerWaalsContact C-N 3.31Å; Q183-L185 PolarHBondContact O-N 3.21Å; Q183-D186 PolarHBondContact O-N 3.33Å; Q183-E187 PolarHBondContact NE2-OE1 2.84Å; Q183-E187 WeakPolarHBondContact O-CG 3.44Å; Q183-E187 PolarHBondContact O-N 3.1Å; Q183-E187 VanDerWaalsContact O-N 3.09Å
184W98.8Very high96.9Very high23 Ų2355.3 Ų55.39%0.08729%0.286CS..Hα-helixtrans-60-42.3178.2170.684.3000111.8Y150 F151 L161 L163 A180 Q181 D186 E187 Q188Y150-W184 AromaticContact CD2-CD2 3.61Å; Y150-W184 HydrophobicContact CD2-CD2 3.61Å; Y150-W184 AromaticContact CD2-CE3 3.5Å; Y150-W184 HydrophobicContact CD2-CE3 3.5Å; Y150-W184 HydrophobicContact CD2-CG 4.14Å; Y150-W184 HydrophobicContact CD2-CH2 4.32Å; Y150-W184 HydrophobicContact CD2-CZ2 4.41Å; Y150-W184 AromaticContact CD2-CZ3 3.88Å; Y150-W184 HydrophobicContact CD2-CZ3 3.88Å; Y150-W184 HydrophobicContact CE2-CB 3.97Å; Y150-W184 AromaticContact CE2-CD2 3.7Å; Y150-W184 HydrophobicContact CE2-CD2 3.7Å; Y150-W184 AromaticContact CE2-CE3 3.94Å; Y150-W184 HydrophobicContact CE2-CE3 3.94Å; Y150-W184 AromaticContact CE2-CG 3.7Å; Y150-W184 HydrophobicContact CE2-CG 3.7Å; Y150-W184 HydrophobicContact CG-CE3 4.47Å; F151-W184 VanDerWaalsContact C-CH2 3.45Å; F151-W184 WeakPolarHBondContact O-CH2 3.48Å; L161-W184 HydrophobicContact CD2-CH2 4.14Å; L163-W184 HydrophobicContact CD2-CH2 4.49Å; L163-W184 HydrophobicContact CD2-CZ3 3.72Å; A180-W184 WeakPolarHBondContact O-CB 3.43Å; A180-W184 PolarHBondContact O-N 2.91Å; Q181-W184 PolarHBondContact O-N 3.25Å; W184-D186 PolarHBondContact O-N 3.44Å; W184-E187 WeakPolarHBondContact O-CB 3.28Å; W184-E187 PolarHBondContact O-N 3Å; W184-Q188 HydrophobicContact CD2-CG 4Å; W184-Q188 VanDerWaalsContact CE2-CG 3.5Å; W184-Q188 HydrophobicContact CE3-CG 4.41Å; W184-Q188 HydrophobicContact CH2-CG 3.98Å; W184-Q188 HydrophobicContact CZ2-CG 3.5Å; W184-Q188 VanDerWaalsContact CZ2-CG 3.5Å; W184-Q188 HydrophobicContact CZ3-CG 4.4Å; W184-Q188 WeakPolarHBondContact O-CG 3.33Å; W184-Q188 PolarHBondContact O-N 3.43Å
185L98.8Very high96.3Very high0 Ų062 Ų620%031%0.311CS..Hα-helixtrans-62.4-44.2177.5179.159.9000110.7L161 L163 Y168 Q181 D182 Q183 E187 Q188 L189 L231 K234L161-L185 HydrophobicContact CD1-CD1 4.03Å; L163-L185 HydrophobicContact CD1-CD2 4.37Å; L163-L185 HydrophobicContact CD2-CD1 4.03Å; Y168-L185 WeakPolarHBondContact OH-CD2 3.26Å; Q181-L185 VanDerWaalsContact O-CB 3.26Å; Q181-L185 WeakPolarHBondContact O-CB 3.38Å; Q181-L185 PolarHBondContact O-N 2.92Å; D182-L185 PolarHBondContact O-N 3.21Å; Q183-L185 VanDerWaalsContact C-N 3.31Å; Q183-L185 PolarHBondContact O-N 3.21Å; L185-E187 VanDerWaalsContact C-N 3.26Å; L185-E187 PolarHBondContact O-N 3.33Å; L185-Q188 PolarHBondContact O-N 3.35Å; L185-L189 HydrophobicContact CD1-CD1 3.99Å; L185-L189 HydrophobicContact CD1-CD2 4.08Å; L185-L189 HydrophobicContact CD1-CG 3.8Å; L185-L189 HydrophobicContact CD2-CD1 4.49Å; L185-L189 HydrophobicContact CG-CD1 3.88Å; L185-L189 HydrophobicContact CG-CG 4.12Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 VanDerWaalsContact O-CG 3.24Å; L185-L189 WeakPolarHBondContact O-CG 3.48Å; L185-L189 PolarHBondContact O-N 3.23Å; L185-L231 HydrophobicContact CD2-CD1 3.81Å; L185-K234 HydrophobicContact CD2-CD 4.46Å
186D98.5Very high95.4Very high78 Ų7865.9 Ų65.942%0.41732%0.321SS..Hα-helixtrans-59-38.2176.7-74.2-27000112.2D182 Q183 W184 S190 K234D182-D186 PolarHBondContact O-N 3.33Å; Q183-D186 PolarHBondContact O-N 3.33Å; W184-D186 PolarHBondContact O-N 3.44Å; D186-S190 WeakPolarHBondContact O-CB 3.15Å; D186-S190 PolarHBondContact O-N 2.8Å; D186-K234 VanDerWaalsContact CG-NZ 3.35Å; D186-K234 VanDerWaalsContact OD1-CD 3.29Å; D186-K234 WeakPolarHBondContact OD1-CD 3.42Å; D186-K234 WeakPolarHBondContact OD1-CE 3.28Å; D186-K234 IonicContact OD1-NZ 2.69Å; D186-K234 PolarHBondContact OD1-NZ 2.69Å; D186-K234 IonicContact OD2-NZ 3Å; D186-K234 PolarHBondContact OD2-NZ 3.29Å
187E98.2Very high94.5Very high95 Ų9563.2 Ų63.244%0.44430%0.302SS..Hα-helixtrans-64.9-47.1174.1-67.9168.7-170.700111.9Q183 W184 L185 L189 S190 I191Q183-E187 PolarHBondContact NE2-OE1 2.84Å; Q183-E187 WeakPolarHBondContact O-CG 3.44Å; Q183-E187 PolarHBondContact O-N 3.1Å; Q183-E187 VanDerWaalsContact O-N 3.09Å; W184-E187 WeakPolarHBondContact O-CB 3.28Å; W184-E187 PolarHBondContact O-N 3Å; L185-E187 VanDerWaalsContact C-N 3.26Å; L185-E187 PolarHBondContact O-N 3.33Å; E187-L189 PolarHBondContact O-N 3.46Å; E187-S190 WeakPolarHBondContact O-CB 3.25Å; E187-S190 PolarHBondContact O-N 2.76Å; E187-I191 WeakPolarHBondContact O-CG1 3.34Å; E187-I191 PolarHBondContact O-N 3.5Å
188Q97.7Very high93.7Very high22 Ų2265.1 Ų65.110%0.10331%0.31CS..Hα-helixtrans-64.5-41.3178.9-64.8-49.1-67.500112.8S152 L161 W184 L185 S190 I191 A192S152-Q188 PolarHBondContact OG-OE1 2.97Å; L161-Q188 HydrophobicContact CD2-CB 3.73Å; L161-Q188 HydrophobicContact CD2-CG 4.02Å; W184-Q188 HydrophobicContact CD2-CG 4Å; W184-Q188 VanDerWaalsContact CE2-CG 3.5Å; W184-Q188 HydrophobicContact CE3-CG 4.41Å; W184-Q188 HydrophobicContact CH2-CG 3.98Å; W184-Q188 HydrophobicContact CZ2-CG 3.5Å; W184-Q188 VanDerWaalsContact CZ2-CG 3.5Å; W184-Q188 HydrophobicContact CZ3-CG 4.4Å; W184-Q188 WeakPolarHBondContact O-CG 3.33Å; W184-Q188 PolarHBondContact O-N 3.43Å; L185-Q188 PolarHBondContact O-N 3.35Å; Q188-S190 VanDerWaalsContact C-N 3.3Å; Q188-S190 PolarHBondContact O-N 2.93Å; Q188-I191 WeakPolarHBondContact O-CB 3.15Å; Q188-I191 PolarHBondContact O-N 3.26Å; Q188-A192 PolarHBondContact O-N 3.4Å
189L96.6Very high93.3Very high7 Ų764 Ų644%0.03730%0.304CS..Hα-helixtrans-67.4-33.7176.9-66-176.6000111.5L161 L185 E187 A192 R193 K234 L235 A238 V240L161-L189 HydrophobicContact CD1-CD2 3.74Å; L185-L189 HydrophobicContact CD1-CD1 3.99Å; L185-L189 HydrophobicContact CD1-CD2 4.08Å; L185-L189 HydrophobicContact CD1-CG 3.8Å; L185-L189 HydrophobicContact CD2-CD1 4.49Å; L185-L189 HydrophobicContact CG-CD1 3.88Å; L185-L189 HydrophobicContact CG-CG 4.12Å; L185-L189 WeakPolarHBondContact O-CB 3.45Å; L185-L189 VanDerWaalsContact O-CG 3.24Å; L185-L189 WeakPolarHBondContact O-CG 3.48Å; L185-L189 PolarHBondContact O-N 3.23Å; E187-L189 PolarHBondContact O-N 3.46Å; L189-A192 PolarHBondContact O-N 2.94Å; L189-R193 WeakPolarHBondContact O-CG 3.37Å; L189-R193 PolarHBondContact O-N 3.33Å; L189-K234 HydrophobicContact CD1-CD 3.69Å; L189-K234 HydrophobicContact CD1-CG 3.6Å; L189-L235 HydrophobicContact CD1-CD2 4.15Å; L189-L235 HydrophobicContact CD2-CD2 4.01Å; L189-A238 HydrophobicContact CB-CB 3.65Å; L189-A238 HydrophobicContact CD1-CB 4.17Å; L189-A238 HydrophobicContact CD2-CB 3.61Å; L189-A238 HydrophobicContact CG-CB 3.97Å; L189-V240 HydrophobicContact CD2-CG2 3.95Å
190S96.2Very high93.2Very high34 Ų3457.3 Ų57.324%0.23827%0.274CS..Hα-helixtrans-62.7-43.7170.4-167.50000111.8D186 E187 Q188 A192 R193 Q194D186-S190 WeakPolarHBondContact O-CB 3.15Å; D186-S190 PolarHBondContact O-N 2.8Å; E187-S190 WeakPolarHBondContact O-CB 3.25Å; E187-S190 PolarHBondContact O-N 2.76Å; Q188-S190 VanDerWaalsContact C-N 3.3Å; Q188-S190 PolarHBondContact O-N 2.93Å; S190-A192 PolarHBondContact O-N 3.44Å; S190-R193 PolarHBondContact O-N 3.38Å; S190-Q194 VanDerWaalsContact O-CG 3.32Å; S190-Q194 WeakPolarHBondContact O-CG 3.43Å; S190-Q194 PolarHBondContact O-N 2.71Å; S190-Q194 PolarHBondContact OG-NE2 3.08Å
191I93.1Very high93.2Very high53 Ų5355.5 Ų55.527%0.27226%0.258SS..Hα-helixtrans-60-45.8175.6-69.1165000111.1W154 E187 Q188 R193 Q194 R195W154-I191 HydrophobicContact CZ2-CG2 4.12Å; E187-I191 WeakPolarHBondContact O-CG1 3.34Å; E187-I191 PolarHBondContact O-N 3.5Å; Q188-I191 WeakPolarHBondContact O-CB 3.15Å; Q188-I191 PolarHBondContact O-N 3.26Å; I191-R193 VanDerWaalsContact C-N 3.29Å; I191-R193 PolarHBondContact O-N 2.95Å; I191-Q194 PolarHBondContact O-N 2.92Å; I191-R195 HydrophobicContact CG2-CG 4.23Å; I191-R195 WeakPolarHBondContact O-CB 3.45Å; I191-R195 PolarHBondContact O-N 2.86Å
192A91.4Very high93.2Very high1 Ų155.5 Ų55.51%0.00826%0.258CS..Hα-helixtrans-54.2-46.9178.500000111.5L159 Q188 L189 S190 H196 C197L159-A192 HydrophobicContact CD2-CB 3.78Å; Q188-A192 PolarHBondContact O-N 3.4Å; L189-A192 PolarHBondContact O-N 2.94Å; S190-A192 PolarHBondContact O-N 3.44Å; A192-H196 PolarHBondContact O-N 3.07Å; A192-C197 PolarHBondContact O-N 2.69Å; A192-C197 PolarHBondContact O-SG 3.31Å
193R90.9Very high93.2Very high115 Ų11553.6 Ų53.643%0.43425%0.248SC..Hα-helixtrans-65.5-47.6176.9-64.8-175.3-42.9176.26.3112.6L189 S190 I191 R195 H196 H237 A238L189-R193 WeakPolarHBondContact O-CG 3.37Å; L189-R193 PolarHBondContact O-N 3.33Å; S190-R193 PolarHBondContact O-N 3.38Å; I191-R193 VanDerWaalsContact C-N 3.29Å; I191-R193 PolarHBondContact O-N 2.95Å; R193-R195 VanDerWaalsContact C-N 3.34Å; R193-R195 PolarHBondContact O-N 3.08Å; R193-H196 PolarHBondContact O-N 2.82Å; R193-H237 PolarHBondContact NH1-CD2 3.17Å; R193-H237 PolarHBondContact NH1-NE2 3.01Å; R193-A238 HydrophobicContact CG-CB 4.37Å
194Q90.1Very high93.2Very high140 Ų14047.9 Ų47.965%0.65422%0.222SC*.Hα-helixtrans-65.8-36.5-175.8-73.6175.87.200112.7S190 I191 H196S190-Q194 VanDerWaalsContact O-CG 3.32Å; S190-Q194 WeakPolarHBondContact O-CG 3.43Å; S190-Q194 PolarHBondContact O-N 2.71Å; S190-Q194 PolarHBondContact OG-NE2 3.08Å; I191-Q194 PolarHBondContact O-N 2.92Å; Q194-H196 VanDerWaalsContact C-N 3.28Å
195R84.8Confident93.2Very high145 Ų14546.8 Ų46.855%0.54722%0.217SC..THydrogen-bonded Turntrans-83.7-4179.8-68.5-168.3173.1-157.9-2.1113.5W154 I191 R193 C197W154-R195 HydrophobicContact CH2-CB 4.48Å; I191-R195 HydrophobicContact CG2-CG 4.23Å; I191-R195 WeakPolarHBondContact O-CB 3.45Å; I191-R195 PolarHBondContact O-N 2.86Å; R193-R195 VanDerWaalsContact C-N 3.34Å; R193-R195 PolarHBondContact O-N 3.08Å; R195-C197 PolarHBondContact O-N 3.31Å
196H78.4Confident93.2Very high169 Ų16946.9 Ų46.978%0.78222%0.218SC*.THydrogen-bonded Turntrans46.648.2-172.5-62.9-73.9000111.3A192 R193 Q194 Q198A192-H196 PolarHBondContact O-N 3.07Å; R193-H196 PolarHBondContact O-N 2.82Å; Q194-H196 VanDerWaalsContact C-N 3.28Å; H196-Q198 PolarHBondContact O-N 3.44Å
197C80.2Confident93.2Very high24 Ų2443.2 Ų43.216%0.16220%0.198CC..  trans-54.5141.5-178.159.30000110.3W154 A192 R195 H199W154-C197 HydrophobicContact CH2-CB 4Å; W154-C197 HydrophobicContact CZ3-CB 3.89Å; A192-C197 PolarHBondContact O-N 2.69Å; A192-C197 PolarHBondContact O-SG 3.31Å; R195-C197 PolarHBondContact O-N 3.31Å; C197-H199 VanDerWaalsContact C-N 3.29Å; C197-H199 PolarHBondContact O-N 3.17Å
198Q82Confident93.2Very high89 Ų8938.7 Ų38.742%0.41618%0.177SC..SBendtrans-55.5-49.5-176.8-169.271.747.500110.4W29 I158 H196 A285W29-Q198 HydrophobicContact CE3-CB 4.4Å; W29-Q198 HydrophobicContact CE3-CG 4.16Å; I158-Q198 HydrophobicContact CD1-CB 3.7Å; I158-Q198 HydrophobicContact CD1-CG 4.2Å; H196-Q198 PolarHBondContact O-N 3.44Å; Q198-A285 HydrophobicContact CG-CB 4.36Å; Q198-A285 WeakPolarHBondContact CG-O 3.18Å; Q198-A285 PolarHBondContact NE2-O 3.48Å
199H89.9Confident93.2Very high11 Ų1137.6 Ų37.65%0.05117%0.172CC..  trans-141.8159.3169.6-55-47.2000110.3I158 L159 C197 K241 T284 A285 I288I158-H199 HydrophobicContact CD1-CB 3.92Å; I158-H199 HydrophobicContact CG2-CB 4.18Å; L159-H199 PolarHBondContact N-O 3.12Å; C197-H199 VanDerWaalsContact C-N 3.29Å; C197-H199 PolarHBondContact O-N 3.17Å; H199-K241 HydrophobicContact CB-CG 4.3Å; H199-T284 PolarHBondContact CD2-O 2.66Å; H199-T284 PolarHBondContact NE2-O 3.4Å; H199-T284 VanDerWaalsContact NE2-O 3.08Å; H199-A285 PolarHBondContact CE1-O 3.27Å; H199-A285 VanDerWaalsContact CE1-O 3.27Å; H199-A285 PolarHBondContact NE2-O 3.29Å; H199-I288 HydrophobicContact CB-CD1 4.25Å
200A96.1Very high93.3Very high0 Ų038 Ų380%017%0.174CC..EExtended strand (participates in β ladder)trans-124.7139.6161.700000109.8L159 V240 K241L159-A200 HydrophobicContact CB-CB 4.31Å; L159-A200 CarbonylContact O-C 3.5Å; L159-A200 VanDerWaalsContact O-CA 3.25Å; L159-A200 WeakPolarHBondContact O-CA 3.34Å; A200-V240 HydrophobicContact CB-CB 4.47Å; A200-V240 HydrophobicContact CB-CG2 3.9Å; A200-V240 WeakPolarHBondContact O-CA 3.48Å; A200-K241 PolarHBondContact O-N 3.43Å
201I98.6Very high93.3Very high0 Ų043.9 Ų43.90%020%0.198CC..EExtended strand (participates in β ladder)trans-129.1137.5-175.6-62.6175000108.8F35 I158 L159 F160 L161 F203 F244 V283 I288F35-I201 HydrophobicContact CE1-CD1 4.45Å; I158-I201 HydrophobicContact CG2-CD1 4.07Å; I158-I201 HydrophobicContact CG2-CG1 4.26Å; L159-I201 PolarHBondContact O-N 3.33Å; F160-I201 CarbonylContact C-O 3.56Å; F160-I201 WeakPolarHBondContact CA-O 3.37Å; F160-I201 HydrophobicContact CD1-CB 3.81Å; F160-I201 HydrophobicContact CD1-CD1 4.38Å; F160-I201 HydrophobicContact CD1-CG2 4.04Å; F160-I201 HydrophobicContact CE1-CB 3.93Å; F160-I201 HydrophobicContact CE1-CD1 3.62Å; F160-I201 HydrophobicContact CE1-CG1 4.29Å; F160-I201 HydrophobicContact CE1-CG2 4.13Å; F160-I201 HydrophobicContact CZ-CD1 4.03Å; L161-I201 PolarHBondContact N-O 2.99Å; I201-F203 HydrophobicContact CG2-CE1 4.21Å; I201-F203 HydrophobicContact CG2-CZ 4.13Å; I201-F244 HydrophobicContact CG2-CD2 3.63Å; I201-F244 HydrophobicContact CG2-CE2 3.73Å; I201-V283 HydrophobicContact CD1-CG2 4.19Å; I201-I288 HydrophobicContact CD1-CD1 3.6Å; I201-I288 HydrophobicContact CD1-CG1 4.18Å; I201-I288 HydrophobicContact CG1-CD1 3.7Å
202V98.9Very high93.6Very high0 Ų043.8 Ų43.80%020%0.202CC..EExtended strand (participates in β ladder)trans-110.2137.8176.2176.50000110.1L161 L163 L235 V240 V242 V243 F244L161-V202 HydrophobicContact CB-CG2 4.16Å; L161-V202 HydrophobicContact CD1-CG2 4.13Å; L161-V202 CarbonylContact O-C 3.58Å; L161-V202 WeakPolarHBondContact O-CA 3.35Å; L163-V202 HydrophobicContact CD1-CG1 3.65Å; L163-V202 HydrophobicContact CG-CG1 3.9Å; V202-L235 HydrophobicContact CG2-CD1 4.21Å; V202-L235 HydrophobicContact CG2-CD2 3.9Å; V202-V240 HydrophobicContact CG2-CG1 3.78Å; V202-V242 PolarHBondContact N-O 3.39Å; V202-V243 HydrophobicContact CB-CB 4.41Å; V202-V243 HydrophobicContact CB-CG1 4.2Å; V202-V243 HydrophobicContact CB-CG2 4.09Å; V202-V243 HydrophobicContact CG1-CG1 4.04Å; V202-V243 WeakPolarHBondContact O-CA 3.45Å; V202-F244 PolarHBondContact O-N 2.87Å
203F98.9Very high93.9Very high0 Ų044 Ų440%020%0.203CC..EExtended strand (participates in β ladder)trans-112.3131.2163.8-57.3-63.8000109F35 L37 F84 V86 V124 F153 F160 L161 V162 L163 I201 F244F35-F203 HydrophobicContact CD2-CZ 4.36Å; F35-F203 AromaticContact CE2-CE1 3.72Å; F35-F203 HydrophobicContact CE2-CE1 3.72Å; F35-F203 AromaticContact CE2-CZ 3.59Å; F35-F203 HydrophobicContact CE2-CZ 3.59Å; F35-F203 AromaticContact CZ-CE1 3.98Å; F35-F203 HydrophobicContact CZ-CE1 3.98Å; F35-F203 AromaticContact CZ-CZ 3.71Å; F35-F203 HydrophobicContact CZ-CZ 3.71Å; L37-F203 HydrophobicContact CD1-CD1 4.25Å; L37-F203 HydrophobicContact CD1-CE1 4.17Å; F84-F203 HydrophobicContact CE2-CE2 4.03Å; F84-F203 AromaticContact CE2-CZ 3.9Å; F84-F203 HydrophobicContact CE2-CZ 3.9Å; F84-F203 HydrophobicContact CZ-CE2 4.14Å; F84-F203 AromaticContact CZ-CZ 3.98Å; F84-F203 HydrophobicContact CZ-CZ 3.98Å; V86-F203 HydrophobicContact CG1-CD1 4.17Å; V86-F203 HydrophobicContact CG1-CE1 3.82Å; V86-F203 HydrophobicContact CG1-CZ 4.05Å; V86-F203 HydrophobicContact CG2-CB 4.45Å; V86-F203 HydrophobicContact CG2-CD1 4.13Å; V86-F203 HydrophobicContact CG2-CD2 4.21Å; V86-F203 HydrophobicContact CG2-CE1 4.5Å; V86-F203 HydrophobicContact CG2-CG 4.02Å; V124-F203 HydrophobicContact CG2-CB 3.92Å; F153-F203 HydrophobicContact CZ-CE2 4.18Å; F160-F203 HydrophobicContact CB-CE2 4.3Å; F160-F203 HydrophobicContact CD1-CD2 4.4Å; F160-F203 AromaticContact CD1-CE2 3.39Å; F160-F203 HydrophobicContact CD1-CE2 3.39Å; F160-F203 AromaticContact CD1-CZ 3.7Å; F160-F203 HydrophobicContact CD1-CZ 3.7Å; F160-F203 HydrophobicContact CE1-CE2 4.09Å; F160-F203 AromaticContact CE1-CZ 3.96Å; F160-F203 HydrophobicContact CE1-CZ 3.96Å; F160-F203 HydrophobicContact CG-CE2 4.22Å; L161-F203 PolarHBondContact O-N 3.03Å; V162-F203 WeakPolarHBondContact CA-O 3.37Å; V162-F203 HydrophobicContact CG2-CB 4.23Å; V162-F203 HydrophobicContact CG2-CD2 4.07Å; L163-F203 PolarHBondContact N-O 2.74Å; I201-F203 HydrophobicContact CG2-CE1 4.21Å; I201-F203 HydrophobicContact CG2-CZ 4.13Å; F203-F244 HydrophobicContact CD1-CB 3.78Å; F203-F244 HydrophobicContact CD1-CD2 4.17Å; F203-F244 HydrophobicContact CD1-CG 4.38Å; F203-F244 HydrophobicContact CE1-CB 4.07Å; F203-F244 AromaticContact CE1-CD2 3.69Å; F203-F244 HydrophobicContact CE1-CD2 3.69Å; F203-F244 HydrophobicContact CE1-CG 4.17Å
204Q98.9Very high94.2Very high0 Ų042.8 Ų42.80%021%0.205CC..  trans-150.4168.9171.568.1-177.134.900109L163 I206 V243 F244 S245L163-Q204 HydrophobicContact CB-CB 4.22Å; Q204-I206 WeakPolarHBondContact CG-O 3.27Å; Q204-I206 PolarHBondContact NE2-O 3.19Å; Q204-V243 HydrophobicContact CG-CG1 3.91Å; Q204-F244 PolarHBondContact N-O 3.34Å; Q204-S245 WeakPolarHBondContact O-CA 3.42Å; Q204-S245 VanDerWaalsContact O-CB 3.3Å; Q204-S245 WeakPolarHBondContact O-CB 3.42Å
205H98.9Very high94.5Very high0 Ų037.6 Ų37.60%018%0.181CC..SBendtrans-88.6-52.7-178.6176.171.4000112.8D40 C88 G89 D90 S125 G126 N127 S165 P207 S245 G246 H247D40-H205 IonicContact OD1-CE1 2.82Å; D40-H205 PolarHBondContact OD1-CE1 2.88Å; D40-H205 IonicContact OD1-ND1 3.82Å; C88-H205 PolarHBondContact O-ND1 2.78Å; G89-H205 WeakPolarHBondContact CA-ND1 3.41Å; D90-H205 IonicContact OD1-CE1 3.33Å; D90-H205 IonicContact OD1-NE2 3.91Å; D90-H205 PolarHBondContact OD1-NE2 3.27Å; D90-H205 IonicContact OD2-CE1 3.64Å; D90-H205 PolarHBondContact OD2-CE1 2.92Å; D90-H205 IonicContact OD2-NE2 3.98Å; D90-H205 PolarHBondContact OD2-NE2 2.63Å; S125-H205 WeakPolarHBondContact O-CB 3.07Å; G126-H205 WeakPolarHBondContact CA-CD2 3.28Å; N127-H205 PolarHBondContact OD1-NE2 2.88Å; S165-H205 PolarHBondContact OG-N 3.34Å; H205-P207 WeakPolarHBondContact O-CD 3.2Å; H205-S245 WeakPolarHBondContact O-CB 3.44Å; H205-G246 CarbonylContact O-C 3.58Å; H205-G246 PolarHBondContact O-N 2.99Å; H205-G246 VanDerWaalsContact O-N 3.16Å; H205-H247 AromaticContact CD2-CG 3.96Å; H205-H247 AromaticContact CD2-ND1 3.71Å; H205-H247 AromaticContact CE1-ND1 3.9Å; H205-H247 WeakPolarHBondContact NE2-CB 3.34Å; H205-H247 AromaticContact NE2-CG 3.53Å; H205-H247 AromaticContact NE2-ND1 3.04Å; H205-H247 PolarHBondContact NE2-ND1 2.73Å; H205-H247 WeakPolarHBondContact O-CB 3.44Å
206I98.7Very high95Very high2 Ų237 Ų371%0.0119%0.188CC..SBendtrans-78.2126.7178.2-57.6168.6000109.9S165 Q169 Q204 L223S165-I206 PolarHBondContact OG-N 3.36Å; Q169-I206 HydrophobicContact CB-CD1 3.53Å; Q169-I206 HydrophobicContact CG-CD1 3.77Å; Q204-I206 WeakPolarHBondContact CG-O 3.27Å; Q204-I206 PolarHBondContact NE2-O 3.19Å; I206-L223 HydrophobicContact CB-CD2 4.17Å; I206-L223 HydrophobicContact CD1-CD2 4.19Å; I206-L223 HydrophobicContact CG2-CD2 3.92Å; I206-L223 HydrophobicContact CG2-CG 4.09Å
207P98.7Very high95.4Very high0 Ų031.9 Ų31.90%017%0.167CC..  trans-53.8146.7172-23.628.1000114.4H205 F209 L210 F221 L223 S245 M261 V263H205-P207 WeakPolarHBondContact O-CD 3.2Å; P207-F209 VanDerWaalsContact C-N 3.32Å; P207-L210 HydrophobicContact CB-CD2 4.01Å; P207-L210 HydrophobicContact CG-CD2 3.79Å; P207-F221 VanDerWaalsContact CD-O 3.26Å; P207-F221 WeakPolarHBondContact CD-O 3.3Å; P207-F221 WeakPolarHBondContact CG-O 3.41Å; P207-L223 PolarHBondContact O-N 3.3Å; P207-L223 VanDerWaalsContact O-N 3.07Å; P207-S245 WeakPolarHBondContact CA-OG 3.47Å; P207-S245 WeakPolarHBondContact CG-OG 3.04Å; P207-M261 HydrophobicContact CB-CE 4.08Å; P207-V263 HydrophobicContact CB-CG2 3.79Å; P207-V263 HydrophobicContact CG-CB 4.49Å; P207-V263 HydrophobicContact CG-CG1 3.96Å; P207-V263 HydrophobicContact CG-CG2 3.68Å
208L98.6Very high95.3Very high0 Ų034.5 Ų34.50%018%0.179CC..SBendtrans-63.1-44.5162.5-65.7176.8000110L223 R228 L231 A232 L235 V243 L259 M261L208-L223 HydrophobicContact CD2-CD1 4.05Å; L208-R228 HydrophobicContact CB-CB 4.37Å; L208-R228 HydrophobicContact CD2-CB 4.38Å; L208-R228 VanDerWaalsContact O-CB 3.31Å; L208-R228 WeakPolarHBondContact O-CB 3.46Å; L208-R228 WeakPolarHBondContact O-CD 3.44Å; L208-L231 HydrophobicContact CD2-CB 4.29Å; L208-L231 HydrophobicContact CD2-CD2 3.78Å; L208-L231 HydrophobicContact CD2-CG 4.1Å; L208-A232 HydrophobicContact CD1-CB 4.15Å; L208-L235 HydrophobicContact CD1-CD1 4.49Å; L208-V243 HydrophobicContact CD1-CB 4.29Å; L208-V243 HydrophobicContact CD1-CG1 4.46Å; L208-V243 HydrophobicContact CD1-CG2 3.78Å; L208-V243 HydrophobicContact CG-CG1 4.43Å; L208-L259 HydrophobicContact CD1-CD2 3.88Å; L208-M261 HydrophobicContact CB-CG 4.31Å; L208-M261 HydrophobicContact CB-SD 3.66Å; L208-M261 HydrophobicContact CD1-SD 4.22Å; L208-M261 HydrophobicContact CG-SD 3.88Å; L208-M261 PolarHBondContact N-SD 2.97Å
209F98.4Very high95.4Very high0 Ų036.7 Ų36.70%019%0.194CC..  trans-159.4163.217854-93.9000109.5P207 S212 I213 E215 M261P207-F209 VanDerWaalsContact C-N 3.32Å; F209-S212 VanDerWaalsContact CB-O 3.3Å; F209-S212 WeakPolarHBondContact CB-O 3.37Å; F209-I213 HydrophobicContact CD1-CB 4.17Å; F209-I213 HydrophobicContact CD1-CD1 3.58Å; F209-I213 HydrophobicContact CD1-CG1 4.47Å; F209-I213 HydrophobicContact CE1-CB 4.27Å; F209-I213 HydrophobicContact CE1-CD1 3.86Å; F209-E215 WeakPolarHBondContact CA-OE1 3.37Å; F209-E215 VanDerWaalsContact CB-OE1 3.27Å; F209-E215 WeakPolarHBondContact CB-OE1 3.36Å; F209-M261 HydrophobicContact CD1-CB 4.26Å; F209-M261 HydrophobicContact CD1-CG 4.34Å; F209-M261 HydrophobicContact CD2-CB 4.09Å; F209-M261 HydrophobicContact CD2-CG 4.24Å; F209-M261 HydrophobicContact CE1-CB 3.73Å; F209-M261 HydrophobicContact CE1-CG 4.29Å; F209-M261 HydrophobicContact CE2-CB 3.54Å; F209-M261 HydrophobicContact CE2-CG 4.2Å; F209-M261 HydrophobicContact CG-CB 4.42Å; F209-M261 HydrophobicContact CG-CG 4.32Å; F209-M261 HydrophobicContact CZ-CB 3.34Å; F209-M261 HydrophobicContact CZ-CG 4.22Å; F209-M261 VanDerWaalsContact O-CG 3.25Å; F209-M261 WeakPolarHBondContact O-CG 2.82Å
210L98Very high95.5Very high16 Ų1640.8 Ų40.88%0.08421%0.209CC..SBendtrans-99.3-37.5-178.3-59-179.2000112.2P207 E215 F221 N222 Y248 A252 G253 V263P207-L210 HydrophobicContact CB-CD2 4.01Å; P207-L210 HydrophobicContact CG-CD2 3.79Å; L210-E215 PolarHBondContact N-OE1 3.47Å; L210-E215 PolarHBondContact N-OE2 2.8Å; L210-F221 HydrophobicContact CD1-CB 3.94Å; L210-N222 HydrophobicContact CG-CB 4.4Å; L210-Y248 HydrophobicContact CD1-CD1 4.4Å; L210-Y248 HydrophobicContact CD1-CD2 3.93Å; L210-Y248 HydrophobicContact CD1-CE1 4.18Å; L210-Y248 HydrophobicContact CD1-CE2 3.7Å; L210-Y248 HydrophobicContact CD1-CG 4.29Å; L210-Y248 HydrophobicContact CD2-CD1 3.89Å; L210-Y248 HydrophobicContact CD2-CD2 4.2Å; L210-Y248 HydrophobicContact CD2-CE1 4.38Å; L210-Y248 HydrophobicContact CD2-CG 3.8Å; L210-A252 HydrophobicContact CB-CB 4.41Å; L210-A252 HydrophobicContact CD2-CB 4.48Å; L210-G253 CarbonylContact O-C 3.51Å; L210-G253 VanDerWaalsContact O-CA 3.31Å; L210-G253 WeakPolarHBondContact O-CA 3.39Å; L210-G253 PolarHBondContact O-N 3.05Å; L210-V263 HydrophobicContact CD2-CG2 4.19Å
211E96.9Very high95.5Very high156 Ų15642.7 Ų42.773%0.72922%0.218SC*.SBendtrans-128-44.5-179.2-60.1-175.6178.800111.3E215E211-E215 WeakPolarHBondContact CA-OE2 3.41Å; E211-E215 PolarHBondContact N-OE2 2.92Å
212S97.8Very high95.4Very high52 Ų5242.8 Ų42.836%0.36422%0.218SC..  trans-149.4146.7-176.4176.20000112.4F209 D214 E215F209-S212 VanDerWaalsContact CB-O 3.3Å; F209-S212 WeakPolarHBondContact CB-O 3.37Å; S212-D214 PolarHBondContact O-N 2.97Å; S212-D214 PolarHBondContact OG-N 3.01Å; S212-E215 PolarHBondContact N-OE2 3.34Å; S212-E215 WeakPolarHBondContact O-CB 3.36Å; S212-E215 VanDerWaalsContact O-CD 3.23Å; S212-E215 WeakPolarHBondContact O-CG 3.31Å; S212-E215 PolarHBondContact O-N 2.85Å; S212-E215 VanDerWaalsContact O-N 3.09Å
213I97.8Very high95.4Very high6 Ų642.8 Ų42.83%0.03122%0.218CC..THydrogen-bonded Turntrans-57.3-23.6173.8-162.364.3000113.3F209 R228 K229 A232 Y256F209-I213 HydrophobicContact CD1-CB 4.17Å; F209-I213 HydrophobicContact CD1-CD1 3.58Å; F209-I213 HydrophobicContact CD1-CG1 4.47Å; F209-I213 HydrophobicContact CE1-CB 4.27Å; F209-I213 HydrophobicContact CE1-CD1 3.86Å; I213-R228 HydrophobicContact CD1-CB 4.3Å; I213-R228 HydrophobicContact CD1-CG 4.05Å; I213-K229 HydrophobicContact CD1-CG 4.3Å; I213-K229 HydrophobicContact CG1-CG 3.8Å; I213-A232 HydrophobicContact CD1-CB 3.99Å; I213-Y256 HydrophobicContact CB-CD1 4.29Å; I213-Y256 HydrophobicContact CB-CD2 3.85Å; I213-Y256 HydrophobicContact CB-CE2 4.33Å; I213-Y256 HydrophobicContact CB-CG 3.82Å; I213-Y256 HydrophobicContact CD1-CD1 4.13Å; I213-Y256 HydrophobicContact CD1-CE1 4.48Å; I213-Y256 HydrophobicContact CD1-CG 4.45Å; I213-Y256 HydrophobicContact CG1-CD1 3.88Å; I213-Y256 HydrophobicContact CG1-CD2 4.16Å; I213-Y256 HydrophobicContact CG1-CE1 4.03Å; I213-Y256 HydrophobicContact CG1-CE2 4.3Å; I213-Y256 HydrophobicContact CG1-CG 3.94Å; I213-Y256 HydrophobicContact CG2-CD2 3.38Å; I213-Y256 HydrophobicContact CG2-CE2 3.63Å; I213-Y256 HydrophobicContact CG2-CG 3.91Å
214D97.3Very high95.3Very high88 Ų8844.7 Ų44.747%0.47123%0.232SC..THydrogen-bonded Turntrans-100.8-0.4-176.1-76-52.3000113.2S212 K225 K229S212-D214 PolarHBondContact O-N 2.97Å; S212-D214 PolarHBondContact OG-N 3.01Å; D214-K225 WeakPolarHBondContact O-CE 3.29Å; D214-K225 PolarHBondContact O-NZ 3.04Å; D214-K229 WeakPolarHBondContact OD1-CE 3.19Å; D214-K229 IonicContact OD1-NZ 2.72Å; D214-K229 PolarHBondContact OD1-NZ 3.17Å
215E96.6Very high95.2Very high32 Ų3247.2 Ų47.215%0.1524%0.243CC..SBendtrans-57.7156.7176.875-162.9-178.300111.3F209 L210 E211 S212 N222 K225 R228F209-E215 WeakPolarHBondContact CA-OE1 3.37Å; F209-E215 VanDerWaalsContact CB-OE1 3.27Å; F209-E215 WeakPolarHBondContact CB-OE1 3.36Å; L210-E215 PolarHBondContact N-OE1 3.47Å; L210-E215 PolarHBondContact N-OE2 2.8Å; E211-E215 WeakPolarHBondContact CA-OE2 3.41Å; E211-E215 PolarHBondContact N-OE2 2.92Å; S212-E215 PolarHBondContact N-OE2 3.34Å; S212-E215 WeakPolarHBondContact O-CB 3.36Å; S212-E215 VanDerWaalsContact O-CD 3.23Å; S212-E215 WeakPolarHBondContact O-CG 3.31Å; S212-E215 PolarHBondContact O-N 2.85Å; S212-E215 VanDerWaalsContact O-N 3.09Å; E215-N222 PolarHBondContact OE1-ND2 3.19Å; E215-K225 WeakPolarHBondContact O-CE 3.48Å; E215-K225 PolarHBondContact O-NZ 2.97Å; E215-R228 PolarHBondContact O-NH2 2.85Å; E215-R228 IonicContact OE1-CZ 2.62Å; E215-R228 IonicContact OE1-NH1 2.71Å; E215-R228 PolarHBondContact OE1-NH1 2.94Å
216D95.1Very high95.1Very high131 Ų13152 Ų5270%0.70127%0.273SS*.PPolyproline II helixtrans-67156.9177.6-67.6-30.8000111.2D218 K225 R228D216-D218 PolarHBondContact O-N 3.37Å; D216-K225 IonicContact OD1-NZ 2.63Å; D216-K225 PolarHBondContact OD1-NZ 3.49Å; D216-R228 PolarHBondContact O-NH2 2.99Å
217D87.8Confident95.1Very high62 Ų6253.8 Ų53.833%0.33228%0.284SS..PPolyproline II helixtrans-72.3128.5178.7-69.8-15.1000108.3D219 K225 R228D217-D219 VanDerWaalsContact C-N 3.32Å; D217-K225 WeakPolarHBondContact OD1-CB 3.47Å; D217-K225 PolarHBondContact OD1-N 2.8Å; D217-K225 PolarHBondContact OD2-N 3.01Å; D217-R228 IonicContact OD1-CZ 3.94Å; D217-R228 IonicContact OD1-NE 3.86Å; D217-R228 IonicContact OD1-NH2 3.84Å; D217-R228 PolarHBondContact OD1-NH2 3.45Å
218D78.1Confident95Very high80 Ų8053.8 Ų53.843%0.42828%0.284SS..  trans-90.2-5.4175.3177.2-98.9000111.2D216 Y220 F221 N222D216-D218 PolarHBondContact O-N 3.37Å; D218-Y220 PolarHBondContact O-N 2.73Å; D218-F221 WeakPolarHBondContact OD1-CB 3.25Å; D218-F221 WeakPolarHBondContact OD1-CD2 3.44Å; D218-F221 PolarHBondContact OD1-N 3.27Å; D218-N222 PolarHBondContact N-OD1 3.46Å
219D83Confident95Very high134 Ų13457 Ų5772%0.71730%0.298SS*.SBendtrans59.5-7.6-176.6-66.2-35.5000115.8D217D217-D219 VanDerWaalsContact C-N 3.32Å
220Y92.3Very high95Very high97 Ų9764 Ų6438%0.3833%0.329SS..SBendtrans-128.7-62.8-179.7-170.5-104.7000112.8D218 N222 H247D218-Y220 PolarHBondContact O-N 2.73Å; Y220-N222 VanDerWaalsContact C-N 3.33Å; Y220-N222 PolarHBondContact O-N 3.11Å; Y220-H247 AromaticContact CE1-CE1 3.89Å; Y220-H247 AromaticContact CE1-NE2 3.9Å; Y220-H247 AromaticContact CZ-CE1 3.92Å; Y220-H247 PolarHBondContact O-NE2 2.83Å; Y220-H247 VanDerWaalsContact O-NE2 3.15Å
221F96.4Very high95Very high40 Ų4063.6 Ų63.618%0.17533%0.327CS..SBendtrans-78.6-9.1-165.2-69.9-62000115.9P207 L210 D218 Y248P207-F221 VanDerWaalsContact CD-O 3.26Å; P207-F221 WeakPolarHBondContact CD-O 3.3Å; P207-F221 WeakPolarHBondContact CG-O 3.41Å; L210-F221 HydrophobicContact CD1-CB 3.94Å; D218-F221 WeakPolarHBondContact OD1-CB 3.25Å; D218-F221 WeakPolarHBondContact OD1-CD2 3.44Å; D218-F221 PolarHBondContact OD1-N 3.27Å; F221-Y248 HydrophobicContact CB-CD2 3.87Å; F221-Y248 HydrophobicContact CB-CE2 4.38Å; F221-Y248 AromaticContact CD1-CD2 3.68Å; F221-Y248 HydrophobicContact CD1-CD2 3.68Å; F221-Y248 HydrophobicContact CD1-CE2 4.45Å; F221-Y248 AromaticContact CD2-CD2 3.99Å; F221-Y248 HydrophobicContact CD2-CD2 3.99Å; F221-Y248 AromaticContact CD2-CE2 3.97Å; F221-Y248 HydrophobicContact CD2-CE2 3.97Å; F221-Y248 HydrophobicContact CE1-CD2 4.17Å; F221-Y248 HydrophobicContact CE2-CD2 4.48Å; F221-Y248 HydrophobicContact CE2-CE2 4.39Å; F221-Y248 AromaticContact CG-CD2 3.58Å; F221-Y248 HydrophobicContact CG-CD2 3.58Å; F221-Y248 HydrophobicContact CG-CE2 4.03Å
222N97.3Very high95.1Very high3 Ų356.2 Ų56.22%0.01629%0.292CS..SBendtrans-143.8159.8-179.358.41.7000110.9L210 E215 D218 Y220 R228L210-N222 HydrophobicContact CG-CB 4.4Å; E215-N222 PolarHBondContact OE1-ND2 3.19Å; D218-N222 PolarHBondContact N-OD1 3.46Å; Y220-N222 VanDerWaalsContact C-N 3.33Å; Y220-N222 PolarHBondContact O-N 3.11Å; N222-R228 PolarHBondContact ND2-NH1 3.41Å
223L97.8Very high95.1Very high0 Ų057 Ų570%029%0.292CS..  trans-66.4146.4173.1-64-176.7000110.6Q169 I206 P207 L208 T227 R228 L231Q169-L223 HydrophobicContact CB-CD2 4.1Å; I206-L223 HydrophobicContact CB-CD2 4.17Å; I206-L223 HydrophobicContact CD1-CD2 4.19Å; I206-L223 HydrophobicContact CG2-CD2 3.92Å; I206-L223 HydrophobicContact CG2-CG 4.09Å; P207-L223 PolarHBondContact O-N 3.3Å; P207-L223 VanDerWaalsContact O-N 3.07Å; L208-L223 HydrophobicContact CD2-CD1 4.05Å; L223-T227 HydrophobicContact CB-CG2 4.47Å; L223-T227 HydrophobicContact CD1-CG2 4.26Å; L223-R228 HydrophobicContact CB-CB 4.08Å; L223-R228 WeakPolarHBondContact O-CD 3.41Å; L223-R228 PolarHBondContact O-NE 2.71Å; L223-R228 VanDerWaalsContact O-NE 3.09Å; L223-L231 HydrophobicContact CD1-CD2 4.22Å
224S97.1Very high95.1Very high40 Ų4059.2 Ų59.228%0.2830%0.302SS..  trans-58.3147.1177.166.20000112.8P226 T227 R228S224-P226 VanDerWaalsContact C-CD 3.48Å; S224-T227 WeakPolarHBondContact O-CA 3.46Å; S224-T227 WeakPolarHBondContact O-CB 3.49Å; S224-T227 PolarHBondContact O-N 3.46Å; S224-T227 PolarHBondContact OG-OG1 3.06Å; S224-R228 WeakPolarHBondContact O-CG 3.26Å; S224-R228 PolarHBondContact O-N 3.4Å
225K97.6Very high95.1Very high53 Ų5355 Ų5523%0.2328%0.28CS..Hα-helixtrans-46.3-47.7-177.4-170.2172-61.5-175.70114.4D214 E215 D216 D217 T227 R228 K229D214-K225 WeakPolarHBondContact O-CE 3.29Å; D214-K225 PolarHBondContact O-NZ 3.04Å; E215-K225 WeakPolarHBondContact O-CE 3.48Å; E215-K225 PolarHBondContact O-NZ 2.97Å; D216-K225 IonicContact OD1-NZ 2.63Å; D216-K225 PolarHBondContact OD1-NZ 3.49Å; D217-K225 WeakPolarHBondContact OD1-CB 3.47Å; D217-K225 PolarHBondContact OD1-N 2.8Å; D217-K225 PolarHBondContact OD2-N 3.01Å; K225-T227 PolarHBondContact O-N 3.29Å; K225-R228 VanDerWaalsContact CA-NE 3.26Å; K225-R228 WeakPolarHBondContact O-CG 3.4Å; K225-K229 HydrophobicContact CG-CD 4.4Å; K225-K229 WeakPolarHBondContact O-CB 3.25Å; K225-K229 WeakPolarHBondContact O-CG 3.48Å; K225-K229 PolarHBondContact O-N 3.08Å; K225-K229 VanDerWaalsContact O-N 3.15Å
226P96.9Very high95.1Very high99 Ų9954.6 Ų54.664%0.64328%0.278SS*.Hα-helixtrans-63.8-40.6177.7-21.334.6000112.8S224 K230S224-P226 VanDerWaalsContact C-CD 3.48Å; P226-K230 WeakPolarHBondContact O-CB 3.25Å; P226-K230 PolarHBondContact O-N 2.94Å
227T97.4Very high95.1Very high40 Ų4054.8 Ų54.825%0.24527%0.274CS..Hα-helixtrans-70.7-49.8-178.1-63.90000111.3L223 S224 K225 K229 K230 L231L223-T227 HydrophobicContact CB-CG2 4.47Å; L223-T227 HydrophobicContact CD1-CG2 4.26Å; S224-T227 WeakPolarHBondContact O-CA 3.46Å; S224-T227 WeakPolarHBondContact O-CB 3.49Å; S224-T227 PolarHBondContact O-N 3.46Å; S224-T227 PolarHBondContact OG-OG1 3.06Å; K225-T227 PolarHBondContact O-N 3.29Å; T227-K229 PolarHBondContact O-N 3.46Å; T227-K230 PolarHBondContact O-N 3.18Å; T227-L231 WeakPolarHBondContact O-CB 3.37Å; T227-L231 PolarHBondContact O-N 3.06Å
228R97.8Very high95.5Very high0 Ų052.2 Ų52.20%026%0.262CS..Hα-helixtrans-63.8-40-17962.9-170.8150.2175.3-7.9113L208 I213 E215 D216 D217 N222 L223 S224 K225 L231 A232L208-R228 HydrophobicContact CB-CB 4.37Å; L208-R228 HydrophobicContact CD2-CB 4.38Å; L208-R228 VanDerWaalsContact O-CB 3.31Å; L208-R228 WeakPolarHBondContact O-CB 3.46Å; L208-R228 WeakPolarHBondContact O-CD 3.44Å; I213-R228 HydrophobicContact CD1-CB 4.3Å; I213-R228 HydrophobicContact CD1-CG 4.05Å; E215-R228 PolarHBondContact O-NH2 2.85Å; E215-R228 IonicContact OE1-CZ 2.62Å; E215-R228 IonicContact OE1-NH1 2.71Å; E215-R228 PolarHBondContact OE1-NH1 2.94Å; D216-R228 PolarHBondContact O-NH2 2.99Å; D217-R228 IonicContact OD1-CZ 3.94Å; D217-R228 IonicContact OD1-NE 3.86Å; D217-R228 IonicContact OD1-NH2 3.84Å; D217-R228 PolarHBondContact OD1-NH2 3.45Å; N222-R228 PolarHBondContact ND2-NH1 3.41Å; L223-R228 HydrophobicContact CB-CB 4.08Å; L223-R228 WeakPolarHBondContact O-CD 3.41Å; L223-R228 PolarHBondContact O-NE 2.71Å; L223-R228 VanDerWaalsContact O-NE 3.09Å; S224-R228 WeakPolarHBondContact O-CG 3.26Å; S224-R228 PolarHBondContact O-N 3.4Å; K225-R228 VanDerWaalsContact CA-NE 3.26Å; K225-R228 WeakPolarHBondContact O-CG 3.4Å; R228-L231 PolarHBondContact O-N 3.04Å; R228-A232 WeakPolarHBondContact O-CB 3.25Å; R228-A232 PolarHBondContact O-N 3.2Å
229K98.2Very high96.2Very high67 Ų6749.8 Ų49.829%0.29126%0.256SS..Hα-helixtrans-62.5-50.3175.4-78.7-172.6171.2-1680111.7I213 D214 K225 T227 L231 A232 D233I213-K229 HydrophobicContact CD1-CG 4.3Å; I213-K229 HydrophobicContact CG1-CG 3.8Å; D214-K229 WeakPolarHBondContact OD1-CE 3.19Å; D214-K229 IonicContact OD1-NZ 2.72Å; D214-K229 PolarHBondContact OD1-NZ 3.17Å; K225-K229 HydrophobicContact CG-CD 4.4Å; K225-K229 WeakPolarHBondContact O-CB 3.25Å; K225-K229 WeakPolarHBondContact O-CG 3.48Å; K225-K229 PolarHBondContact O-N 3.08Å; K225-K229 VanDerWaalsContact O-N 3.15Å; T227-K229 PolarHBondContact O-N 3.46Å; K229-L231 VanDerWaalsContact C-N 3.31Å; K229-L231 PolarHBondContact O-N 2.76Å; K229-A232 PolarHBondContact O-N 3.24Å; K229-D233 WeakPolarHBondContact O-CB 3.45Å; K229-D233 VanDerWaalsContact O-CG 3.23Å; K229-D233 PolarHBondContact O-N 3.23Å
230K98.2Very high96.9Very high149 Ų14943.4 Ų43.465%0.64822%0.222SC*.Hα-helixtrans-58.7-42.5178.9-178.4179.2177.4-176.50112.1P226 T227 K234P226-K230 WeakPolarHBondContact O-CB 3.25Å; P226-K230 PolarHBondContact O-N 2.94Å; T227-K230 PolarHBondContact O-N 3.18Å; K230-K234 WeakPolarHBondContact O-CB 3.43Å; K230-K234 PolarHBondContact O-N 3.12Å
231L98.6Very high97.1Very high7 Ų742.4 Ų42.44%0.03722%0.219CC..Hα-helixtrans-70-47.9178.4-176.755.3000111.2Y168 L185 L208 L223 T227 R228 K229 D233 K234 L235Y168-L231 HydrophobicContact CD1-CD2 4.39Å; Y168-L231 HydrophobicContact CD2-CD2 3.98Å; Y168-L231 HydrophobicContact CE1-CD1 4.49Å; Y168-L231 HydrophobicContact CE1-CD2 4.4Å; Y168-L231 HydrophobicContact CE2-CD2 3.97Å; Y168-L231 HydrophobicContact CG-CD2 4.25Å; L185-L231 HydrophobicContact CD2-CD1 3.81Å; L208-L231 HydrophobicContact CD2-CB 4.29Å; L208-L231 HydrophobicContact CD2-CD2 3.78Å; L208-L231 HydrophobicContact CD2-CG 4.1Å; L223-L231 HydrophobicContact CD1-CD2 4.22Å; T227-L231 WeakPolarHBondContact O-CB 3.37Å; T227-L231 PolarHBondContact O-N 3.06Å; R228-L231 PolarHBondContact O-N 3.04Å; K229-L231 VanDerWaalsContact C-N 3.31Å; K229-L231 PolarHBondContact O-N 2.76Å; L231-D233 PolarHBondContact O-N 3.06Å; L231-K234 WeakPolarHBondContact O-CB 3.43Å; L231-K234 PolarHBondContact O-N 3.04Å; L231-L235 HydrophobicContact CD1-CD1 4.35Å; L231-L235 HydrophobicContact CD1-CG 4.24Å; L231-L235 HydrophobicContact CG-CD1 4.15Å; L231-L235 HydrophobicContact CG-CG 4.46Å; L231-L235 VanDerWaalsContact O-CG 3.29Å; L231-L235 WeakPolarHBondContact O-CG 3.37Å; L231-L235 PolarHBondContact O-N 3.36Å
232A98.6Very high97.2Very high0 Ų040.6 Ų40.60%021%0.211CC..Hα-helixtrans-58.8-47.3179.100000112.3L208 I213 R228 K229 K234 L235 I236 Y256 L259L208-A232 HydrophobicContact CD1-CB 4.15Å; I213-A232 HydrophobicContact CD1-CB 3.99Å; R228-A232 WeakPolarHBondContact O-CB 3.25Å; R228-A232 PolarHBondContact O-N 3.2Å; K229-A232 PolarHBondContact O-N 3.24Å; A232-K234 VanDerWaalsContact C-N 3.28Å; A232-K234 PolarHBondContact O-N 3.27Å; A232-L235 PolarHBondContact O-N 3.22Å; A232-I236 WeakPolarHBondContact O-CB 3.29Å; A232-I236 WeakPolarHBondContact O-CD1 3.27Å; A232-I236 VanDerWaalsContact O-CG1 3.26Å; A232-I236 WeakPolarHBondContact O-CG1 3.44Å; A232-I236 PolarHBondContact O-N 2.9Å; A232-Y256 HydrophobicContact CB-CD1 3.88Å; A232-Y256 HydrophobicContact CB-CE1 4.04Å; A232-L259 HydrophobicContact CB-CD2 4.03Å
233D98.1Very high97.3Very high69 Ų6940.4 Ų40.437%0.36921%0.21SC..Hα-helixtrans-60.4-39.2178.3-68.9-22.1000111.5K229 L231 H237 Y256K229-D233 WeakPolarHBondContact O-CB 3.45Å; K229-D233 VanDerWaalsContact O-CG 3.23Å; K229-D233 PolarHBondContact O-N 3.23Å; L231-D233 PolarHBondContact O-N 3.06Å; D233-H237 WeakPolarHBondContact O-CB 3.26Å; D233-H237 PolarHBondContact O-N 3.19Å; D233-Y256 VanDerWaalsContact OD1-CE1 3.32Å; D233-Y256 WeakPolarHBondContact OD1-CE1 3.11Å; D233-Y256 PolarHBondContact OD1-OH 2.87Å
234K97Very high97.3Very high53 Ų5340.4 Ų40.423%0.2321%0.21CC..Hα-helixtrans-63.7-45.6175.7-172.6-168.2-76.2-159.90111.5L185 D186 L189 K230 L231 A232 H237 A238L185-K234 HydrophobicContact CD2-CD 4.46Å; D186-K234 VanDerWaalsContact CG-NZ 3.35Å; D186-K234 VanDerWaalsContact OD1-CD 3.29Å; D186-K234 WeakPolarHBondContact OD1-CD 3.42Å; D186-K234 WeakPolarHBondContact OD1-CE 3.28Å; D186-K234 IonicContact OD1-NZ 2.69Å; D186-K234 PolarHBondContact OD1-NZ 2.69Å; D186-K234 IonicContact OD2-NZ 3Å; D186-K234 PolarHBondContact OD2-NZ 3.29Å; L189-K234 HydrophobicContact CD1-CD 3.69Å; L189-K234 HydrophobicContact CD1-CG 3.6Å; K230-K234 WeakPolarHBondContact O-CB 3.43Å; K230-K234 PolarHBondContact O-N 3.12Å; L231-K234 WeakPolarHBondContact O-CB 3.43Å; L231-K234 PolarHBondContact O-N 3.04Å; A232-K234 VanDerWaalsContact C-N 3.28Å; A232-K234 PolarHBondContact O-N 3.27Å; K234-H237 PolarHBondContact O-N 3.47Å; K234-A238 PolarHBondContact O-N 3.26Å
235L98.1Very high97.4Very high0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-64.7-44.5178.5-65.8176.8000111.5L189 V202 L208 L231 A232 H237 A238 G239 V240 V243 L259L189-L235 HydrophobicContact CD1-CD2 4.15Å; L189-L235 HydrophobicContact CD2-CD2 4.01Å; V202-L235 HydrophobicContact CG2-CD1 4.21Å; V202-L235 HydrophobicContact CG2-CD2 3.9Å; L208-L235 HydrophobicContact CD1-CD1 4.49Å; L231-L235 HydrophobicContact CD1-CD1 4.35Å; L231-L235 HydrophobicContact CD1-CG 4.24Å; L231-L235 HydrophobicContact CG-CD1 4.15Å; L231-L235 HydrophobicContact CG-CG 4.46Å; L231-L235 VanDerWaalsContact O-CG 3.29Å; L231-L235 WeakPolarHBondContact O-CG 3.37Å; L231-L235 PolarHBondContact O-N 3.36Å; A232-L235 PolarHBondContact O-N 3.22Å; L235-H237 PolarHBondContact O-N 3.33Å; L235-A238 PolarHBondContact O-N 3Å; L235-A238 VanDerWaalsContact O-N 3.12Å; L235-G239 PolarHBondContact O-N 2.75Å; L235-V240 HydrophobicContact CB-CB 3.92Å; L235-V240 HydrophobicContact CB-CG1 4.31Å; L235-V240 HydrophobicContact CB-CG2 4.06Å; L235-V240 HydrophobicContact CD2-CG2 4Å; L235-V240 WeakPolarHBondContact O-CB 3.15Å; L235-V240 WeakPolarHBondContact O-CG2 3.42Å; L235-V240 PolarHBondContact O-N 3.16Å; L235-V243 HydrophobicContact CD1-CG2 3.82Å; L235-L259 HydrophobicContact CB-CD2 4.44Å
236I96.8Very high97.5Very high22 Ų2236 Ų3611%0.11319%0.186CC..Hα-helixtrans-57.5-48.2175.7-74.4163.4000110.9A232 A238 G239 Y256 Q257 N258 L259A232-I236 WeakPolarHBondContact O-CB 3.29Å; A232-I236 WeakPolarHBondContact O-CD1 3.27Å; A232-I236 VanDerWaalsContact O-CG1 3.26Å; A232-I236 WeakPolarHBondContact O-CG1 3.44Å; A232-I236 PolarHBondContact O-N 2.9Å; I236-A238 PolarHBondContact O-N 2.88Å; I236-G239 PolarHBondContact O-N 3.5Å; I236-Y256 HydrophobicContact CD1-CD1 3.55Å; I236-Y256 HydrophobicContact CD1-CE1 3.65Å; I236-Y256 HydrophobicContact CD1-CG 4.5Å; I236-Q257 HydrophobicContact CD1-CB 4.15Å; I236-Q257 HydrophobicContact CD1-CG 4.4Å; I236-N258 VanDerWaalsContact CG2-OD1 3.25Å; I236-N258 WeakPolarHBondContact CG2-OD1 3.38Å; I236-L259 HydrophobicContact CD1-CB 4.05Å; I236-L259 HydrophobicContact CG1-CB 3.64Å; I236-L259 HydrophobicContact CG1-CD2 4.26Å; I236-L259 HydrophobicContact CG1-CG 4.46Å
237H94.8Very high97.5Very high136 Ų13631.5 Ų31.563%0.6316%0.157SC*.Hα-helixtrans-61.8-25.9180-173.175.2000112.9R193 D233 K234 L235R193-H237 PolarHBondContact NH1-CD2 3.17Å; R193-H237 PolarHBondContact NH1-NE2 3.01Å; D233-H237 WeakPolarHBondContact O-CB 3.26Å; D233-H237 PolarHBondContact O-N 3.19Å; K234-H237 PolarHBondContact O-N 3.47Å; L235-H237 PolarHBondContact O-N 3.33Å
238A94.5Very high97.6Very high8 Ų832 Ų327%0.06615%0.154CC..THydrogen-bonded Turntrans-88-3.917600000114.2L189 R193 K234 L235 I236L189-A238 HydrophobicContact CB-CB 3.65Å; L189-A238 HydrophobicContact CD1-CB 4.17Å; L189-A238 HydrophobicContact CD2-CB 3.61Å; L189-A238 HydrophobicContact CG-CB 3.97Å; R193-A238 HydrophobicContact CG-CB 4.37Å; K234-A238 PolarHBondContact O-N 3.26Å; L235-A238 PolarHBondContact O-N 3Å; L235-A238 VanDerWaalsContact O-N 3.12Å; I236-A238 PolarHBondContact O-N 2.88Å
239G93.8Very high97.6Very high29 Ų2932.4 Ų32.430%0.29916%0.156SC..THydrogen-bonded Turntrans84.114.4179.900000114.9L235 I236 K241L235-G239 PolarHBondContact O-N 2.75Å; I236-G239 PolarHBondContact O-N 3.5Å; G239-K241 PolarHBondContact O-N 3.32Å
240V97Very high97.6Very high0 Ų032.2 Ų32.20%015%0.153CC..EExtended strand (participates in β ladder)trans-61.2135.3172.2178.80000109.4L189 A200 V202 L235 L259L189-V240 HydrophobicContact CD2-CG2 3.95Å; A200-V240 HydrophobicContact CB-CB 4.47Å; A200-V240 HydrophobicContact CB-CG2 3.9Å; A200-V240 WeakPolarHBondContact O-CA 3.48Å; V202-V240 HydrophobicContact CG2-CG1 3.78Å; L235-V240 HydrophobicContact CB-CB 3.92Å; L235-V240 HydrophobicContact CB-CG1 4.31Å; L235-V240 HydrophobicContact CB-CG2 4.06Å; L235-V240 HydrophobicContact CD2-CG2 4Å; L235-V240 WeakPolarHBondContact O-CB 3.15Å; L235-V240 WeakPolarHBondContact O-CG2 3.42Å; L235-V240 PolarHBondContact O-N 3.16Å; V240-L259 HydrophobicContact CB-CD1 4.12Å; V240-L259 HydrophobicContact CG1-CD1 3.71Å; V240-L259 WeakPolarHBondContact O-CD1 3.24Å
241K96.7Very high97.6Very high75 Ų7527.2 Ų27.233%0.32613%0.134SC..EExtended strand (participates in β ladder)trans-101.8-37.2-174-64.2-55.8-175.6-177.30113.6H199 A200 G239 D260 I288H199-K241 HydrophobicContact CB-CG 4.3Å; A200-K241 PolarHBondContact O-N 3.43Å; G239-K241 PolarHBondContact O-N 3.32Å; K241-D260 PolarHBondContact O-N 2.82Å; K241-I288 HydrophobicContact CB-CD1 3.85Å
242V98.6Very high97.6Very high2 Ų228.1 Ų28.11%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-142.5138.2-174.5-1690000110.2V202 F244 D260 V262 I288V202-V242 PolarHBondContact N-O 3.39Å; V242-F244 HydrophobicContact CB-CD2 4.42Å; V242-F244 HydrophobicContact CB-CE2 3.95Å; V242-F244 HydrophobicContact CB-CZ 4.29Å; V242-F244 HydrophobicContact CG1-CD1 4.22Å; V242-F244 HydrophobicContact CG1-CD2 3.86Å; V242-F244 HydrophobicContact CG1-CE1 3.9Å; V242-F244 HydrophobicContact CG1-CE2 3.52Å; V242-F244 HydrophobicContact CG1-CG 4.19Å; V242-F244 HydrophobicContact CG1-CZ 3.54Å; V242-D260 CarbonylContact C-O 3.54Å; V242-D260 VanDerWaalsContact CA-O 3.28Å; V242-D260 WeakPolarHBondContact CA-O 3.3Å; V242-D260 HydrophobicContact CG1-CB 4.19Å; V242-D260 HydrophobicContact CG2-CB 4.21Å; V242-V262 HydrophobicContact CG1-CB 4.47Å; V242-V262 HydrophobicContact CG1-CG2 3.78Å; V242-I288 HydrophobicContact CG2-CB 4.17Å; V242-I288 HydrophobicContact CG2-CD1 3.68Å; V242-I288 HydrophobicContact CG2-CG2 4.14Å
243V98.9Very high97.6Very high0 Ų029.6 Ų29.60%016%0.158CC..EExtended strand (participates in β ladder)trans-110.3121.3163.6-174.70000107.9V202 Q204 L208 L235 L259 D260 M261 V262V202-V243 HydrophobicContact CB-CB 4.41Å; V202-V243 HydrophobicContact CB-CG1 4.2Å; V202-V243 HydrophobicContact CB-CG2 4.09Å; V202-V243 HydrophobicContact CG1-CG1 4.04Å; V202-V243 WeakPolarHBondContact O-CA 3.45Å; Q204-V243 HydrophobicContact CG-CG1 3.91Å; L208-V243 HydrophobicContact CD1-CB 4.29Å; L208-V243 HydrophobicContact CD1-CG1 4.46Å; L208-V243 HydrophobicContact CD1-CG2 3.78Å; L208-V243 HydrophobicContact CG-CG1 4.43Å; L235-V243 HydrophobicContact CD1-CG2 3.82Å; V243-L259 HydrophobicContact CG2-CD1 3.97Å; V243-L259 HydrophobicContact CG2-CD2 4.09Å; V243-L259 HydrophobicContact CG2-CG 4.25Å; V243-D260 PolarHBondContact N-O 3.32Å; V243-M261 HydrophobicContact CB-CE 4.37Å; V243-M261 HydrophobicContact CB-SD 3.79Å; V243-M261 HydrophobicContact CG1-CE 4.11Å; V243-M261 HydrophobicContact CG1-SD 3.84Å; V243-M261 WeakPolarHBondContact O-CE 3.14Å; V243-V262 PolarHBondContact O-N 3.19Å
244F98.9Very high97.5Very high0 Ų027.4 Ų27.40%015%0.152CC..EExtended strand (participates in β ladder)trans-103.8139.5174.7-69.6-76.8000111F35 L37 I201 V202 F203 Q204 V242 V262 V281 I288 H290F35-F244 HydrophobicContact CZ-CE2 4.03Å; L37-F244 HydrophobicContact CD1-CB 3.41Å; L37-F244 VanDerWaalsContact CD1-CB 3.41Å; L37-F244 HydrophobicContact CD1-CD1 3.86Å; L37-F244 HydrophobicContact CD1-CG 3.72Å; I201-F244 HydrophobicContact CG2-CD2 3.63Å; I201-F244 HydrophobicContact CG2-CE2 3.73Å; V202-F244 PolarHBondContact O-N 2.87Å; F203-F244 HydrophobicContact CD1-CB 3.78Å; F203-F244 HydrophobicContact CD1-CD2 4.17Å; F203-F244 HydrophobicContact CD1-CG 4.38Å; F203-F244 HydrophobicContact CE1-CB 4.07Å; F203-F244 AromaticContact CE1-CD2 3.69Å; F203-F244 HydrophobicContact CE1-CD2 3.69Å; F203-F244 HydrophobicContact CE1-CG 4.17Å; Q204-F244 PolarHBondContact N-O 3.34Å; V242-F244 HydrophobicContact CB-CD2 4.42Å; V242-F244 HydrophobicContact CB-CE2 3.95Å; V242-F244 HydrophobicContact CB-CZ 4.29Å; V242-F244 HydrophobicContact CG1-CD1 4.22Å; V242-F244 HydrophobicContact CG1-CD2 3.86Å; V242-F244 HydrophobicContact CG1-CE1 3.9Å; V242-F244 HydrophobicContact CG1-CE2 3.52Å; V242-F244 HydrophobicContact CG1-CG 4.19Å; V242-F244 HydrophobicContact CG1-CZ 3.54Å; F244-V262 CarbonylContact C-O 3.58Å; F244-V262 WeakPolarHBondContact CA-O 3.37Å; F244-V262 HydrophobicContact CD1-CB 3.59Å; F244-V262 HydrophobicContact CD1-CG1 3.73Å; F244-V262 HydrophobicContact CD1-CG2 4.23Å; F244-V262 HydrophobicContact CE1-CB 3.84Å; F244-V262 HydrophobicContact CE1-CG1 3.84Å; F244-V262 HydrophobicContact CE1-CG2 4.01Å; F244-V281 HydrophobicContact CE1-CG2 3.91Å; F244-V281 HydrophobicContact CE2-CG1 4.19Å; F244-V281 HydrophobicContact CE2-CG2 4.47Å; F244-V281 HydrophobicContact CZ-CB 4.41Å; F244-V281 HydrophobicContact CZ-CG1 3.7Å; F244-V281 HydrophobicContact CZ-CG2 3.77Å; F244-I288 HydrophobicContact CZ-CG2 4.33Å; F244-H290 HydrophobicContact CE1-CB 4.42Å
245S98.9Very high97.6Very high0 Ų029.3 Ų29.30%017%0.168CC..EExtended strand (participates in β ladder)trans-147.7174.1179.176.60000115.1Q204 H205 P207 M261 V262 S264Q204-S245 WeakPolarHBondContact O-CA 3.42Å; Q204-S245 VanDerWaalsContact O-CB 3.3Å; Q204-S245 WeakPolarHBondContact O-CB 3.42Å; H205-S245 WeakPolarHBondContact O-CB 3.44Å; P207-S245 WeakPolarHBondContact CA-OG 3.47Å; P207-S245 WeakPolarHBondContact CG-OG 3.04Å; S245-M261 WeakPolarHBondContact OG-CE 3.43Å; S245-V262 PolarHBondContact N-O 3.45Å; S245-S264 PolarHBondContact O-N 3.46Å
246G98.7Very high97.6Very high0 Ų031.3 Ų31.30%018%0.176CC..  trans-118.2-130.9175.400000111.1H205 Y248 V263H205-G246 CarbonylContact O-C 3.58Å; H205-G246 PolarHBondContact O-N 2.99Å; H205-G246 VanDerWaalsContact O-N 3.16Å; G246-Y248 PolarHBondContact O-N 3.16Å; G246-V263 VanDerWaalsContact O-CG1 3.3Å; G246-V263 WeakPolarHBondContact O-CG1 3.43Å
247H98.6Very high97.6Very high5 Ų536.3 Ų36.32%0.02320%0.198CC..SBendtrans71.5-35.7167.5-170.962.5000116.1D40 N127 H205 Y220 H249D40-H247 PolarHBondContact OD1-N 2.91Å; D40-H247 VanDerWaalsContact OD1-N 3.14Å; D40-H247 PolarHBondContact OD2-N 3.3Å; D40-H247 VanDerWaalsContact OD2-N 3.09Å; N127-H247 PolarHBondContact OD1-CE1 3.43Å; N127-H247 PolarHBondContact OD1-ND1 3.32Å; H205-H247 AromaticContact CD2-CG 3.96Å; H205-H247 AromaticContact CD2-ND1 3.71Å; H205-H247 AromaticContact CE1-ND1 3.9Å; H205-H247 WeakPolarHBondContact NE2-CB 3.34Å; H205-H247 AromaticContact NE2-CG 3.53Å; H205-H247 AromaticContact NE2-ND1 3.04Å; H205-H247 PolarHBondContact NE2-ND1 2.73Å; H205-H247 WeakPolarHBondContact O-CB 3.44Å; Y220-H247 AromaticContact CE1-CE1 3.89Å; Y220-H247 AromaticContact CE1-NE2 3.9Å; Y220-H247 AromaticContact CZ-CE1 3.92Å; Y220-H247 PolarHBondContact O-NE2 2.83Å; Y220-H247 VanDerWaalsContact O-NE2 3.15Å; H247-H249 PolarHBondContact O-CD2 2.98Å; H247-H249 VanDerWaalsContact O-CD2 3.32Å
248Y98.3Very high97.6Very high51 Ų5133.3 Ų33.320%0.219%0.187CC..SBendtrans-83.2-15.5-176.3-170.6-137.5000113.7L210 F221 G246 R250 A252L210-Y248 HydrophobicContact CD1-CD1 4.4Å; L210-Y248 HydrophobicContact CD1-CD2 3.93Å; L210-Y248 HydrophobicContact CD1-CE1 4.18Å; L210-Y248 HydrophobicContact CD1-CE2 3.7Å; L210-Y248 HydrophobicContact CD1-CG 4.29Å; L210-Y248 HydrophobicContact CD2-CD1 3.89Å; L210-Y248 HydrophobicContact CD2-CD2 4.2Å; L210-Y248 HydrophobicContact CD2-CE1 4.38Å; L210-Y248 HydrophobicContact CD2-CG 3.8Å; F221-Y248 HydrophobicContact CB-CD2 3.87Å; F221-Y248 HydrophobicContact CB-CE2 4.38Å; F221-Y248 AromaticContact CD1-CD2 3.68Å; F221-Y248 HydrophobicContact CD1-CD2 3.68Å; F221-Y248 HydrophobicContact CD1-CE2 4.45Å; F221-Y248 AromaticContact CD2-CD2 3.99Å; F221-Y248 HydrophobicContact CD2-CD2 3.99Å; F221-Y248 AromaticContact CD2-CE2 3.97Å; F221-Y248 HydrophobicContact CD2-CE2 3.97Å; F221-Y248 HydrophobicContact CE1-CD2 4.17Å; F221-Y248 HydrophobicContact CE2-CD2 4.48Å; F221-Y248 HydrophobicContact CE2-CE2 4.39Å; F221-Y248 AromaticContact CG-CD2 3.58Å; F221-Y248 HydrophobicContact CG-CD2 3.58Å; F221-Y248 HydrophobicContact CG-CE2 4.03Å; G246-Y248 PolarHBondContact O-N 3.16Å; Y248-R250 HydrophobicContact CD1-CB 3.64Å; Y248-R250 HydrophobicContact CD1-CG 4.27Å; Y248-R250 HydrophobicContact CE1-CB 3.73Å; Y248-R250 HydrophobicContact CE1-CG 4.18Å; Y248-R250 HydrophobicContact CG-CB 4.38Å; Y248-R250 PolarHBondContact O-N 2.95Å; Y248-R250 PolarHBondContact O-NH1 3.23Å; Y248-A252 HydrophobicContact CD1-CB 3.73Å; Y248-A252 HydrophobicContact CE1-CB 3.89Å
249H98.4Very high97.7Very high7 Ų732.9 Ų32.93%0.03218%0.184CC..SBendtrans51.227.6-174.7-65.2-110.2000114.3D40 Q42 L45 H247 S265 A266 C269 L271D40-H249 VanDerWaalsContact CB-CE1 3.49Å; D40-H249 WeakPolarHBondContact CB-CE1 3.4Å; D40-H249 IonicContact OD1-NE2 3.8Å; Q42-H249 PolarHBondContact OE1-CE1 3.02Å; Q42-H249 PolarHBondContact OE1-NE2 3.4Å; L45-H249 VanDerWaalsContact CD2-CE1 3.5Å; L45-H249 WeakPolarHBondContact CD2-CE1 3.29Å; H247-H249 PolarHBondContact O-CD2 2.98Å; H247-H249 VanDerWaalsContact O-CD2 3.32Å; H249-S265 PolarHBondContact O-OG 3.35Å; H249-S265 VanDerWaalsContact O-OG 3.04Å; H249-A266 HydrophobicContact CB-CB 4.29Å; H249-A266 VanDerWaalsContact ND1-CB 3.32Å; H249-A266 WeakPolarHBondContact ND1-CB 3.42Å; H249-C269 PolarHBondContact ND1-O 3.17Å; H249-L271 HydrophobicContact CB-CB 3.73Å; H249-L271 HydrophobicContact CB-CD1 3.73Å; H249-L271 HydrophobicContact CB-CG 3.42Å; H249-L271 VanDerWaalsContact CB-CG 3.42Å; H249-L271 PolarHBondContact O-N 3.37Å
250R98.4Very high97.9Very high63 Ų6334.1 Ų34.124%0.23818%0.183CC..SBendtrans-147.3150.6173.8-51-178.9-173.583.9-3.7108.1Y248 A252 S265 L271 D274Y248-R250 HydrophobicContact CD1-CB 3.64Å; Y248-R250 HydrophobicContact CD1-CG 4.27Å; Y248-R250 HydrophobicContact CE1-CB 3.73Å; Y248-R250 HydrophobicContact CE1-CG 4.18Å; Y248-R250 HydrophobicContact CG-CB 4.38Å; Y248-R250 PolarHBondContact O-N 2.95Å; Y248-R250 PolarHBondContact O-NH1 3.23Å; R250-A252 PolarHBondContact O-N 2.82Å; R250-S265 WeakPolarHBondContact CA-OG 3.14Å; R250-S265 PolarHBondContact N-OG 3.34Å; R250-L271 VanDerWaalsContact NE-C 3.35Å; R250-L271 PolarHBondContact NE-O 2.95Å; R250-L271 PolarHBondContact NH2-O 3.27Å; R250-D274 VanDerWaalsContact CA-OD2 3.24Å; R250-D274 WeakPolarHBondContact CA-OD2 3.44Å
251N98.6Very high98Very high44 Ų4434.2 Ų34.224%0.23518%0.184CC..  trans-70.5127.6168.9-71.9-60.6000109.2S265 D274 R279 Y292N251-S265 PolarHBondContact OD1-N 2.95Å; N251-D274 PolarHBondContact N-OD2 3.22Å; N251-D274 VanDerWaalsContact ND2-CG 3.29Å; N251-D274 PolarHBondContact ND2-OD1 2.9Å; N251-R279 PolarHBondContact OD1-NH2 2.66Å; N251-Y292 WeakPolarHBondContact ND2-CD1 3.09Å; N251-Y292 WeakPolarHBondContact ND2-CE1 3.33Å; N251-Y292 VanDerWaalsContact OD1-CD2 3.23Å; N251-Y292 WeakPolarHBondContact OD1-CD2 3.32Å
252A98.3Very high98.1Very high27 Ų2731 Ų3122%0.22317%0.17CC..EExtended strand (participates in β ladder)trans-151.8179.7177.500000109.4L210 Y248 R250 V263L210-A252 HydrophobicContact CB-CB 4.41Å; L210-A252 HydrophobicContact CD2-CB 4.48Å; Y248-A252 HydrophobicContact CD1-CB 3.73Å; Y248-A252 HydrophobicContact CE1-CB 3.89Å; R250-A252 PolarHBondContact O-N 2.82Å; A252-V263 HydrophobicContact CB-CB 3.95Å; A252-V263 HydrophobicContact CB-CG2 4.09Å; A252-V263 PolarHBondContact N-O 3.09Å; A252-V263 PolarHBondContact O-N 3.28Å
253G97.4Very high98.1Very high31 Ų3130.9 Ų30.932%0.3217%0.17SC..EExtended strand (participates in β ladder)trans135.3175.217800000113.1L210 M261L210-G253 CarbonylContact O-C 3.51Å; L210-G253 VanDerWaalsContact O-CA 3.31Å; L210-G253 WeakPolarHBondContact O-CA 3.39Å; L210-G253 PolarHBondContact O-N 3.05Å; G253-M261 CarbonylContact C-O 3.58Å; G253-M261 WeakPolarHBondContact CA-O 3.33Å
254G97.8Very high98.1Very high23 Ų2331 Ų3124%0.23717%0.17CC..EExtended strand (participates in β ladder)trans-174.2-17918000000110.4M261G254-M261 PolarHBondContact N-O 2.99Å; G254-M261 PolarHBondContact O-N 3.02Å
255T98.3Very high98.1Very high92 Ų9231 Ų3156%0.56417%0.17SC*.EExtended strand (participates in β ladder)trans-109.9132.9179.8-55.50000109.9Q257 L259 D260T255-Q257 WeakPolarHBondContact CG2-O 3.27Å; T255-L259 WeakPolarHBondContact CA-O 3.07Å; T255-D260 WeakPolarHBondContact CB-OD1 3.41Å; T255-D260 WeakPolarHBondContact CG2-OD1 3.19Å; T255-D260 PolarHBondContact OG1-OD1 3.15Å
256Y98Very high98.1Very high43 Ų4331 Ų3117%0.16917%0.17CC..EExtended strand (participates in β ladder)trans-117.4112.5167.6174.1-124.2000109.4I213 A232 D233 I236 N258 L259I213-Y256 HydrophobicContact CB-CD1 4.29Å; I213-Y256 HydrophobicContact CB-CD2 3.85Å; I213-Y256 HydrophobicContact CB-CE2 4.33Å; I213-Y256 HydrophobicContact CB-CG 3.82Å; I213-Y256 HydrophobicContact CD1-CD1 4.13Å; I213-Y256 HydrophobicContact CD1-CE1 4.48Å; I213-Y256 HydrophobicContact CD1-CG 4.45Å; I213-Y256 HydrophobicContact CG1-CD1 3.88Å; I213-Y256 HydrophobicContact CG1-CD2 4.16Å; I213-Y256 HydrophobicContact CG1-CE1 4.03Å; I213-Y256 HydrophobicContact CG1-CE2 4.3Å; I213-Y256 HydrophobicContact CG1-CG 3.94Å; I213-Y256 HydrophobicContact CG2-CD2 3.38Å; I213-Y256 HydrophobicContact CG2-CE2 3.63Å; I213-Y256 HydrophobicContact CG2-CG 3.91Å; A232-Y256 HydrophobicContact CB-CD1 3.88Å; A232-Y256 HydrophobicContact CB-CE1 4.04Å; D233-Y256 VanDerWaalsContact OD1-CE1 3.32Å; D233-Y256 WeakPolarHBondContact OD1-CE1 3.11Å; D233-Y256 PolarHBondContact OD1-OH 2.87Å; I236-Y256 HydrophobicContact CD1-CD1 3.55Å; I236-Y256 HydrophobicContact CD1-CE1 3.65Å; I236-Y256 HydrophobicContact CD1-CG 4.5Å; Y256-N258 PolarHBondContact O-N 3.07Å; Y256-L259 PolarHBondContact N-O 3.27Å; Y256-L259 PolarHBondContact O-N 3.39Å
257Q96.6Very high98.1Very high127 Ų12731 Ų3159%0.59317%0.17SC*.THydrogen-bonded Turntrans54.4-104.6-169.8-54.3-179.43100111.6I236 T255I236-Q257 HydrophobicContact CD1-CB 4.15Å; I236-Q257 HydrophobicContact CD1-CG 4.4Å; T255-Q257 WeakPolarHBondContact CG2-O 3.27Å
258N93.9Very high98.1Very high72 Ų7230.8 Ų30.839%0.38517%0.169SC..THydrogen-bonded Turntrans-117.715.8179.567.4-20.8000112.9I236 Y256I236-N258 VanDerWaalsContact CG2-OD1 3.25Å; I236-N258 WeakPolarHBondContact CG2-OD1 3.38Å; Y256-N258 PolarHBondContact O-N 3.07Å
259L98.1Very high98.1Very high0 Ų028.6 Ų28.60%016%0.162CC..EExtended strand (participates in β ladder)trans-109.2121.5176.1-175.274.4000109.6L208 A232 L235 I236 V240 V243 T255 Y256L208-L259 HydrophobicContact CD1-CD2 3.88Å; A232-L259 HydrophobicContact CB-CD2 4.03Å; L235-L259 HydrophobicContact CB-CD2 4.44Å; I236-L259 HydrophobicContact CD1-CB 4.05Å; I236-L259 HydrophobicContact CG1-CB 3.64Å; I236-L259 HydrophobicContact CG1-CD2 4.26Å; I236-L259 HydrophobicContact CG1-CG 4.46Å; V240-L259 HydrophobicContact CB-CD1 4.12Å; V240-L259 HydrophobicContact CG1-CD1 3.71Å; V240-L259 WeakPolarHBondContact O-CD1 3.24Å; V243-L259 HydrophobicContact CG2-CD1 3.97Å; V243-L259 HydrophobicContact CG2-CD2 4.09Å; V243-L259 HydrophobicContact CG2-CG 4.25Å; T255-L259 WeakPolarHBondContact CA-O 3.07Å; Y256-L259 PolarHBondContact N-O 3.27Å; Y256-L259 PolarHBondContact O-N 3.39Å
260D98.4Very high98Very high54 Ų5429.8 Ų29.829%0.28917%0.167SC..EExtended strand (participates in β ladder)trans-88.9129.4172-63.9-31.9000110K241 V242 V243 T255 V262K241-D260 PolarHBondContact O-N 2.82Å; V242-D260 CarbonylContact C-O 3.54Å; V242-D260 VanDerWaalsContact CA-O 3.28Å; V242-D260 WeakPolarHBondContact CA-O 3.3Å; V242-D260 HydrophobicContact CG1-CB 4.19Å; V242-D260 HydrophobicContact CG2-CB 4.21Å; V243-D260 PolarHBondContact N-O 3.32Å; T255-D260 WeakPolarHBondContact CB-OD1 3.41Å; T255-D260 WeakPolarHBondContact CG2-OD1 3.19Å; T255-D260 PolarHBondContact OG1-OD1 3.15Å; D260-V262 HydrophobicContact CB-CG2 4.48Å
261M98.7Very high97.9Very high3 Ų328.2 Ų28.22%0.01516%0.164CC..EExtended strand (participates in β ladder)trans-99.8123.5167.5-176.963.1-123.400108P207 L208 F209 V243 S245 G253 G254 V263P207-M261 HydrophobicContact CB-CE 4.08Å; L208-M261 HydrophobicContact CB-CG 4.31Å; L208-M261 HydrophobicContact CB-SD 3.66Å; L208-M261 HydrophobicContact CD1-SD 4.22Å; L208-M261 HydrophobicContact CG-SD 3.88Å; L208-M261 PolarHBondContact N-SD 2.97Å; F209-M261 HydrophobicContact CD1-CB 4.26Å; F209-M261 HydrophobicContact CD1-CG 4.34Å; F209-M261 HydrophobicContact CD2-CB 4.09Å; F209-M261 HydrophobicContact CD2-CG 4.24Å; F209-M261 HydrophobicContact CE1-CB 3.73Å; F209-M261 HydrophobicContact CE1-CG 4.29Å; F209-M261 HydrophobicContact CE2-CB 3.54Å; F209-M261 HydrophobicContact CE2-CG 4.2Å; F209-M261 HydrophobicContact CG-CB 4.42Å; F209-M261 HydrophobicContact CG-CG 4.32Å; F209-M261 HydrophobicContact CZ-CB 3.34Å; F209-M261 HydrophobicContact CZ-CG 4.22Å; F209-M261 VanDerWaalsContact O-CG 3.25Å; F209-M261 WeakPolarHBondContact O-CG 2.82Å; V243-M261 HydrophobicContact CB-CE 4.37Å; V243-M261 HydrophobicContact CB-SD 3.79Å; V243-M261 HydrophobicContact CG1-CE 4.11Å; V243-M261 HydrophobicContact CG1-SD 3.84Å; V243-M261 WeakPolarHBondContact O-CE 3.14Å; S245-M261 WeakPolarHBondContact OG-CE 3.43Å; G253-M261 CarbonylContact C-O 3.58Å; G253-M261 WeakPolarHBondContact CA-O 3.33Å; G254-M261 PolarHBondContact N-O 2.99Å; G254-M261 PolarHBondContact O-N 3.02Å; M261-V263 HydrophobicContact CE-CG2 4.12Å
262V98.9Very high97.7Very high7 Ų727.7 Ų27.74%0.04217%0.168CC..EExtended strand (participates in β ladder)trans-125.8113.8-177.6-177.80000110V242 V243 F244 S245 D260 H290V242-V262 HydrophobicContact CG1-CB 4.47Å; V242-V262 HydrophobicContact CG1-CG2 3.78Å; V243-V262 PolarHBondContact O-N 3.19Å; F244-V262 CarbonylContact C-O 3.58Å; F244-V262 WeakPolarHBondContact CA-O 3.37Å; F244-V262 HydrophobicContact CD1-CB 3.59Å; F244-V262 HydrophobicContact CD1-CG1 3.73Å; F244-V262 HydrophobicContact CD1-CG2 4.23Å; F244-V262 HydrophobicContact CE1-CB 3.84Å; F244-V262 HydrophobicContact CE1-CG1 3.84Å; F244-V262 HydrophobicContact CE1-CG2 4.01Å; S245-V262 PolarHBondContact N-O 3.45Å; D260-V262 HydrophobicContact CB-CG2 4.48Å; V262-H290 WeakPolarHBondContact CG2-NE2 3.43Å
263V98.8Very high97.6Very high0 Ų038.5 Ų38.50%020%0.203CC..EExtended strand (participates in β ladder)trans-99.1128.6174.1-1670000108.5P207 L210 G246 A252 M261 R279P207-V263 HydrophobicContact CB-CG2 3.79Å; P207-V263 HydrophobicContact CG-CB 4.49Å; P207-V263 HydrophobicContact CG-CG1 3.96Å; P207-V263 HydrophobicContact CG-CG2 3.68Å; L210-V263 HydrophobicContact CD2-CG2 4.19Å; G246-V263 VanDerWaalsContact O-CG1 3.3Å; G246-V263 WeakPolarHBondContact O-CG1 3.43Å; A252-V263 HydrophobicContact CB-CB 3.95Å; A252-V263 HydrophobicContact CB-CG2 4.09Å; A252-V263 PolarHBondContact N-O 3.09Å; A252-V263 PolarHBondContact O-N 3.28Å; M261-V263 HydrophobicContact CE-CG2 4.12Å; V263-R279 PolarHBondContact O-NH2 3.34Å; V263-R279 VanDerWaalsContact O-NH2 3.16Å
264S98.8Very high97.6Very high1 Ų139.1 Ų39.11%0.00720%0.199CC..  trans-105.1132.9-179.6-54.70000109.9L37 S245 R279L37-S264 WeakPolarHBondContact CD2-OG 3.31Å; S245-S264 PolarHBondContact O-N 3.46Å; S264-R279 PolarHBondContact OG-NE 2.95Å
265S98.6Very high97.6Very high1 Ų141 Ų411%0.00721%0.207CC..  trans-65.4159.2174-159.60000111.3H249 R250 N251 Q270 Y292H249-S265 PolarHBondContact O-OG 3.35Å; H249-S265 VanDerWaalsContact O-OG 3.04Å; R250-S265 WeakPolarHBondContact CA-OG 3.14Å; R250-S265 PolarHBondContact N-OG 3.34Å; N251-S265 PolarHBondContact OD1-N 2.95Å; S265-Q270 PolarHBondContact OG-OE1 3.13Å; S265-Y292 WeakPolarHBondContact CB-OH 3.32Å; S265-Y292 WeakPolarHBondContact O-CE2 3.36Å; S265-Y292 PolarHBondContact O-OH 3.41Å; S265-Y292 VanDerWaalsContact O-OH 3.09Å
266A98.6Very high97.7Very high0 Ų038.8 Ų38.80%019%0.19CC..  trans-67.9155.5-170.700000113.5A39 D40 H249 C269 Q270 G277 Y292A39-A266 CarbonylContact O-C 3.58Å; A39-A266 WeakPolarHBondContact O-CA 3.29Å; D40-A266 HydrophobicContact CB-CB 3.71Å; H249-A266 HydrophobicContact CB-CB 4.29Å; H249-A266 VanDerWaalsContact ND1-CB 3.32Å; H249-A266 WeakPolarHBondContact ND1-CB 3.42Å; A266-C269 WeakPolarHBondContact CB-O 3.43Å; A266-Q270 PolarHBondContact O-NE2 2.89Å; A266-G277 PolarHBondContact O-N 3.44Å; A266-Y292 PolarHBondContact O-OH 3.09Å
267I98.8Very high97.7Very high0 Ų036.8 Ų36.80%018%0.182CC..SBendtrans-74.7-46.2159.3-63.6170.7000108.9A39 P41 L67 A71 F85 L87 H276 L278A39-I267 PolarHBondContact O-N 3.31Å; P41-I267 HydrophobicContact CB-CB 4.44Å; L67-I267 HydrophobicContact CB-CG2 4.38Å; A71-I267 HydrophobicContact CB-CD1 4.48Å; A71-I267 HydrophobicContact CB-CG2 4.28Å; F85-I267 HydrophobicContact CZ-CD1 4.24Å; L87-I267 HydrophobicContact CD2-CD1 3.72Å; I267-H276 PolarHBondContact O-ND1 2.96Å; I267-L278 HydrophobicContact CD1-CD2 3.72Å; I267-L278 HydrophobicContact CG1-CD2 3.88Å
268G98.1Very high97.8Very high0 Ų030.7 Ų30.70%015%0.154CC..SBendtrans-78.6-130.1-179.700000112.3D40 Q270 H276D40-G268 WeakPolarHBondContact O-CA 3.36Å; D40-G268 PolarHBondContact O-N 2.89Å; G268-Q270 PolarHBondContact O-N 3.32Å; G268-Q270 PolarHBondContact O-NE2 2.84Å; G268-H276 PolarHBondContact O-CE1 3.09Å; G268-H276 PolarHBondContact O-ND1 3.46Å
269C97.9Very high98Very high6 Ų628.1 Ų28.14%0.04114%0.139CC..  trans-55.9134.2-173.1-166.80000113L45 M46 H249 A266L45-C269 HydrophobicContact CB-CB 4.3Å; L45-C269 HydrophobicContact CD2-CB 3.57Å; L45-C269 HydrophobicContact CG-CB 3.8Å; M46-C269 HydrophobicContact CG-CB 3.76Å; H249-C269 PolarHBondContact ND1-O 3.17Å; A266-C269 WeakPolarHBondContact CB-O 3.43Å
270Q97.8Very high98Very high32 Ų3228.1 Ų28.115%0.1514%0.139CC..  trans-97.1126.4172-60.9-58.9-63.100109.9S265 A266 G268 D274 P275S265-Q270 PolarHBondContact OG-OE1 3.13Å; A266-Q270 PolarHBondContact O-NE2 2.89Å; G268-Q270 PolarHBondContact O-N 3.32Å; G268-Q270 PolarHBondContact O-NE2 2.84Å; Q270-D274 WeakPolarHBondContact CG-O 3.4Å; Q270-D274 PolarHBondContact OE1-O 3.49Å; Q270-D274 VanDerWaalsContact OE1-O 3.09Å; Q270-P275 PolarHBondContact OE1-O 3.46Å
271L96.3Very high98.1Very high30 Ų3025.6 Ų25.616%0.15713%0.125CC..SBendtrans-96.7-8.4173.9-56.2-176.3000112.2W49 H249 R250W49-L271 HydrophobicContact CD2-CD2 3.59Å; W49-L271 HydrophobicContact CE3-CD2 4.13Å; W49-L271 HydrophobicContact CG-CD2 4.01Å; W49-L271 HydrophobicContact CH2-CD2 4.13Å; W49-L271 HydrophobicContact CZ2-CD2 3.59Å; W49-L271 HydrophobicContact CZ3-CD2 4.37Å; H249-L271 HydrophobicContact CB-CB 3.73Å; H249-L271 HydrophobicContact CB-CD1 3.73Å; H249-L271 HydrophobicContact CB-CG 3.42Å; H249-L271 VanDerWaalsContact CB-CG 3.42Å; H249-L271 PolarHBondContact O-N 3.37Å; R250-L271 VanDerWaalsContact NE-C 3.35Å; R250-L271 PolarHBondContact NE-O 2.95Å; R250-L271 PolarHBondContact NH2-O 3.27Å
272G94.4Very high98.1Very high32 Ų3225.4 Ų25.433%0.3312%0.124SC..SBendtrans-120.4-149.8177.200000113.3
273R96.4Very high98Very high255 Ų25525.1 Ų25.196%0.96212%0.122SC*.SBendtrans-102.6-0.5178.2-62.9-177.4179.9175.70.7112.9
274D97.6Very high97.8Very high44 Ų4425.4 Ų25.424%0.23512%0.124CC..PPolyproline II helixtrans-62.4145.5175-66.9-69.8000109.9R250 N251 Q270R250-D274 VanDerWaalsContact CA-OD2 3.24Å; R250-D274 WeakPolarHBondContact CA-OD2 3.44Å; N251-D274 PolarHBondContact N-OD2 3.22Å; N251-D274 VanDerWaalsContact ND2-CG 3.29Å; N251-D274 PolarHBondContact ND2-OD1 2.9Å; Q270-D274 WeakPolarHBondContact CG-O 3.4Å; Q270-D274 PolarHBondContact OE1-O 3.49Å; Q270-D274 VanDerWaalsContact OE1-O 3.09Å
275P97.8Very high97.5Very high61 Ų6126.1 Ų26.140%0.39613%0.13SC..PPolyproline II helixtrans-73.1157.3168.632.1-33.9000110.2Q270 G277 Y292Q270-P275 PolarHBondContact OE1-O 3.46Å; P275-G277 PolarHBondContact O-N 3.16Å; P275-Y292 HydrophobicContact CG-CE1 4.44Å; P275-Y292 WeakPolarHBondContact O-CE1 3.46Å; P275-Y292 PolarHBondContact O-OH 3.11Å
276H98.6Very high97.2Very high47 Ų4733.4 Ų33.422%0.21816%0.164CC..SBendtrans-55.3132.4164-55.8-83000109.6L67 I267 G268 S294 L295L67-H276 HydrophobicContact CD2-CB 3.94Å; I267-H276 PolarHBondContact O-ND1 2.96Å; G268-H276 PolarHBondContact O-CE1 3.09Å; G268-H276 PolarHBondContact O-ND1 3.46Å; H276-S294 CarbonylContact O-C 3.57Å; H276-S294 VanDerWaalsContact O-CA 3.29Å; H276-S294 WeakPolarHBondContact O-CA 3.44Å; H276-L295 HydrophobicContact CB-CD1 4.09Å; H276-L295 HydrophobicContact CB-CG 4.33Å; H276-L295 PolarHBondContact O-N 3.44Å
277G98.4Very high96.9Very high0 Ų038.4 Ų38.40%019%0.186CC..EExtended strand (participates in β ladder)trans-172.7-176-168.400000116.6A266 P275 Y292 Y293A266-G277 PolarHBondContact O-N 3.44Å; P275-G277 PolarHBondContact O-N 3.16Å; G277-Y292 VanDerWaalsContact C-OH 3.25Å; G277-Y292 WeakPolarHBondContact CA-OH 3.15Å; G277-Y292 PolarHBondContact N-OH 2.71Å; G277-Y292 PolarHBondContact O-OH 3.01Å; G277-Y293 CarbonylContact C-O 3.18Å; G277-Y293 WeakPolarHBondContact CA-O 3.44Å
278L98.8Very high96.9Very high0 Ų039.7 Ų39.70%019%0.192CC..EExtended strand (participates in β ladder)trans-136.8153.6-176.5-67.3168.2000109.3I36 A71 I75 F85 I267 Y293 L295 L298I36-L278 HydrophobicContact CG2-CB 4.08Å; I36-L278 HydrophobicContact CG2-CD1 4.11Å; I36-L278 HydrophobicContact CG2-CD2 4.14Å; I36-L278 HydrophobicContact CG2-CG 4.35Å; A71-L278 HydrophobicContact CB-CD1 4Å; A71-L278 HydrophobicContact CB-CD2 4.43Å; A71-L278 HydrophobicContact CB-CG 4.42Å; I75-L278 HydrophobicContact CD1-CD1 3.85Å; I75-L278 HydrophobicContact CG1-CD1 3.85Å; F85-L278 HydrophobicContact CE2-CD2 3.96Å; F85-L278 HydrophobicContact CZ-CD2 4.21Å; I267-L278 HydrophobicContact CD1-CD2 3.72Å; I267-L278 HydrophobicContact CG1-CD2 3.88Å; L278-Y293 PolarHBondContact N-O 3.21Å; L278-Y293 PolarHBondContact O-N 3.01Å; L278-L295 HydrophobicContact CD1-CD2 4Å; L278-L295 HydrophobicContact CG-CD2 3.9Å; L278-L298 HydrophobicContact CB-CD2 4.26Å; L278-L298 HydrophobicContact CD1-CD2 3.78Å
279R98.8Very high96.9Very high18 Ų1841.3 Ų41.37%0.06820%0.202CC..EExtended strand (participates in β ladder)trans-104.4124.6173.2-172.9174.4-64.3-78.513.3110.4L37 N251 V263 S264 V281 H290 R291 Y292L37-R279 HydrophobicContact CB-CB 4.26Å; L37-R279 HydrophobicContact CD2-CB 4.23Å; L37-R279 PolarHBondContact N-O 2.88Å; L37-R279 PolarHBondContact O-N 3.34Å; N251-R279 PolarHBondContact OD1-NH2 2.66Å; V263-R279 PolarHBondContact O-NH2 3.34Å; V263-R279 VanDerWaalsContact O-NH2 3.16Å; S264-R279 PolarHBondContact OG-NE 2.95Å; R279-V281 HydrophobicContact CG-CG2 4.1Å; R279-H290 HydrophobicContact CG-CB 4.09Å; R279-H290 PolarHBondContact NH1-ND1 2.92Å; R279-R291 CarbonylContact C-O 3.53Å; R279-R291 WeakPolarHBondContact CA-O 3.01Å; R279-Y292 HydrophobicContact CB-CD2 4.24Å
280V98.8Very high96.9Very high0 Ų043.9 Ų43.90%021%0.214CC..EExtended strand (participates in β ladder)trans-88.9129.2169.4-178.50000107.9Y34 I36 H290 R291 Y293 L298 I303 L307Y34-V280 HydrophobicContact CD2-CG1 3.99Å; I36-V280 HydrophobicContact CD1-CB 4.26Å; I36-V280 HydrophobicContact CD1-CG1 4.32Å; I36-V280 HydrophobicContact CD1-CG2 3.73Å; V280-H290 CarbonylContact O-C 3.47Å; V280-H290 WeakPolarHBondContact O-CA 3.46Å; V280-H290 WeakPolarHBondContact O-CB 3.24Å; V280-R291 PolarHBondContact N-O 3.25Å; V280-R291 PolarHBondContact O-N 3.48Å; V280-Y293 HydrophobicContact CB-CD2 4.23Å; V280-Y293 HydrophobicContact CB-CE2 3.75Å; V280-Y293 HydrophobicContact CG2-CD2 3.62Å; V280-Y293 HydrophobicContact CG2-CE2 3.46Å; V280-Y293 VanDerWaalsContact CG2-CE2 3.46Å; V280-L298 HydrophobicContact CG2-CD1 3.95Å; V280-I303 HydrophobicContact CG1-CD1 3.88Å; V280-I303 HydrophobicContact CG1-CG1 4.14Å; V280-I303 HydrophobicContact CG1-CG2 4.27Å; V280-I303 HydrophobicContact CG2-CD1 4.49Å; V280-I303 HydrophobicContact CG2-CG1 4.12Å; V280-L307 HydrophobicContact CG1-CD1 4.39Å
281V98.8Very high96.9Very high0 Ų045.8 Ų45.80%022%0.22CC..EExtended strand (participates in β ladder)trans-123.4117.2178.9-173.60000109.6Y34 F35 F244 R279 V283 I288 H290Y34-V281 CarbonylContact C-O 3.5Å; Y34-V281 WeakPolarHBondContact CA-O 3.41Å; Y34-V281 VanDerWaalsContact CB-O 3.23Å; Y34-V281 WeakPolarHBondContact CB-O 3.42Å; F35-V281 HydrophobicContact CD1-CB 4.1Å; F35-V281 HydrophobicContact CD1-CG1 4.33Å; F35-V281 HydrophobicContact CD2-CB 4.13Å; F35-V281 HydrophobicContact CD2-CG2 4.32Å; F35-V281 HydrophobicContact CE1-CB 3.67Å; F35-V281 HydrophobicContact CE1-CG1 3.51Å; F35-V281 HydrophobicContact CE1-CG2 4.48Å; F35-V281 HydrophobicContact CE2-CB 3.7Å; F35-V281 HydrophobicContact CE2-CG1 4.19Å; F35-V281 HydrophobicContact CE2-CG2 3.67Å; F35-V281 HydrophobicContact CG-CB 4.32Å; F35-V281 HydrophobicContact CZ-CB 3.46Å; F35-V281 VanDerWaalsContact CZ-CB 3.46Å; F35-V281 HydrophobicContact CZ-CG1 3.43Å; F35-V281 VanDerWaalsContact CZ-CG1 3.43Å; F35-V281 HydrophobicContact CZ-CG2 3.77Å; F35-V281 PolarHBondContact N-O 2.51Å; F35-V281 PolarHBondContact O-N 3.27Å; F244-V281 HydrophobicContact CE1-CG2 3.91Å; F244-V281 HydrophobicContact CE2-CG1 4.19Å; F244-V281 HydrophobicContact CE2-CG2 4.47Å; F244-V281 HydrophobicContact CZ-CB 4.41Å; F244-V281 HydrophobicContact CZ-CG1 3.7Å; F244-V281 HydrophobicContact CZ-CG2 3.77Å; R279-V281 HydrophobicContact CG-CG2 4.1Å; V281-V283 HydrophobicContact CG1-CG2 4.47Å; V281-I288 HydrophobicContact CG1-CG2 3.62Å; V281-H290 HydrophobicContact CB-CB 4.34Å; V281-H290 HydrophobicContact CG1-CB 4.3Å; V281-H290 HydrophobicContact CG2-CB 3.89Å
282V98.4Very high97Very high0 Ų046 Ų460%022%0.218CC..EExtended strand (participates in β ladder)trans-100.9129.6174.8-176.30000109.3T284 I288 V289 L307 L310 I311V282-T284 HydrophobicContact CG1-CG2 4.48Å; V282-I288 WeakPolarHBondContact O-CA 3.29Å; V282-V289 PolarHBondContact N-O 2.98Å; V282-V289 PolarHBondContact O-N 2.95Å; V282-L307 HydrophobicContact CG2-CB 3.99Å; V282-L307 HydrophobicContact CG2-CD1 4.46Å; V282-L307 HydrophobicContact CG2-CD2 4.23Å; V282-L307 HydrophobicContact CG2-CG 4.46Å; V282-L310 HydrophobicContact CG1-CB 3.88Å; V282-I311 HydrophobicContact CG1-CG1 3.78Å; V282-I311 HydrophobicContact CG2-CD1 4.09Å; V282-I311 HydrophobicContact CG2-CG1 4.13Å
283V97.4Very high97.2Very high0 Ų044.8 Ų44.80%020%0.204CC..EExtended strand (participates in β ladder)trans-112.6120.4178.1-170.80000108.9W29 P32 F33 F35 I158 I201 V281 I288W29-V283 HydrophobicContact CZ3-CG1 4.42Å; P32-V283 WeakPolarHBondContact CA-O 3.49Å; P32-V283 WeakPolarHBondContact CB-O 3.44Å; F33-V283 HydrophobicContact CE1-CB 4.22Å; F33-V283 HydrophobicContact CE1-CG1 4.42Å; F33-V283 HydrophobicContact CE2-CB 4.27Å; F33-V283 HydrophobicContact CE2-CG2 4.08Å; F33-V283 HydrophobicContact CZ-CB 4.06Å; F33-V283 HydrophobicContact CZ-CG1 4.37Å; F33-V283 HydrophobicContact CZ-CG2 4.18Å; F33-V283 PolarHBondContact N-O 3.33Å; F33-V283 VanDerWaalsContact N-O 3.12Å; F33-V283 PolarHBondContact O-N 3.43Å; F35-V283 HydrophobicContact CD1-CG2 4.31Å; F35-V283 HydrophobicContact CE1-CG2 3.88Å; I158-V283 HydrophobicContact CD1-CG1 4.17Å; I158-V283 HydrophobicContact CG1-CG1 3.93Å; I201-V283 HydrophobicContact CD1-CG2 4.19Å; V281-V283 HydrophobicContact CG1-CG2 4.47Å; V283-I288 HydrophobicContact CG1-CG1 4.14Å; V283-I288 HydrophobicContact CG2-CG1 4.44Å
284T95.8Very high97.3Very high6 Ų633.4 Ų33.44%0.03716%0.163CC..  trans-107.8-178.5169.183.80000109.6W29 P32 H199 V282 E286 K287 L310W29-T284 WeakPolarHBondContact CH2-O 3.37Å; P32-T284 HydrophobicContact CB-CG2 4.38Å; P32-T284 HydrophobicContact CG-CG2 4.39Å; H199-T284 PolarHBondContact CD2-O 2.66Å; H199-T284 PolarHBondContact NE2-O 3.4Å; H199-T284 VanDerWaalsContact NE2-O 3.08Å; V282-T284 HydrophobicContact CG1-CG2 4.48Å; T284-E286 VanDerWaalsContact C-N 3.25Å; T284-E286 PolarHBondContact O-N 3.01Å; T284-E286 PolarHBondContact OG1-N 2.82Å; T284-E286 PolarHBondContact OG1-OE2 3.41Å; T284-K287 PolarHBondContact N-O 3.21Å; T284-K287 PolarHBondContact OG1-N 3.41Å; T284-K287 PolarHBondContact OG1-O 3.23Å; T284-L310 HydrophobicContact CG2-CB 4.21Å; T284-L310 HydrophobicContact CG2-CD2 4.42Å
285A92.3Very high97.3Very high16 Ų1631.4 Ų31.413%0.13215%0.153CC..SBendtrans-69.4-29.5176.300000111.5W29 Q198 H199W29-A285 HydrophobicContact CD2-CB 4.46Å; W29-A285 HydrophobicContact CZ2-CB 3.83Å; Q198-A285 HydrophobicContact CG-CB 4.36Å; Q198-A285 WeakPolarHBondContact CG-O 3.18Å; Q198-A285 PolarHBondContact NE2-O 3.48Å; H199-A285 PolarHBondContact CE1-O 3.27Å; H199-A285 VanDerWaalsContact CE1-O 3.27Å; H199-A285 PolarHBondContact NE2-O 3.29Å
286E91.1Very high97.3Very high154 Ų15433 Ų3372%0.7216%0.158SC*.SBendtrans-98.9-30.7-172.1-52.875.3-164.700112.8T284T284-E286 VanDerWaalsContact C-N 3.25Å; T284-E286 PolarHBondContact O-N 3.01Å; T284-E286 PolarHBondContact OG1-N 2.82Å; T284-E286 PolarHBondContact OG1-OE2 3.41Å
287K93.9Very high97.3Very high106 Ų10634.6 Ų34.646%0.46117%0.165SC..  trans-152158-170.162.1177.3-177.3175.30113.4T284 V289T284-K287 PolarHBondContact N-O 3.21Å; T284-K287 PolarHBondContact OG1-N 3.41Å; T284-K287 PolarHBondContact OG1-O 3.23Å; K287-V289 HydrophobicContact CD-CG2 3.7Å; K287-V289 HydrophobicContact CG-CG2 3.96Å
288I97.3Very high97.2Very high26 Ų2634.8 Ų34.813%0.13317%0.166CC..EExtended strand (participates in β ladder)trans-108.6126.4168.4-62.3156.4000106.6H199 I201 K241 V242 F244 V281 V282 V283H199-I288 HydrophobicContact CB-CD1 4.25Å; I201-I288 HydrophobicContact CD1-CD1 3.6Å; I201-I288 HydrophobicContact CD1-CG1 4.18Å; I201-I288 HydrophobicContact CG1-CD1 3.7Å; K241-I288 HydrophobicContact CB-CD1 3.85Å; V242-I288 HydrophobicContact CG2-CB 4.17Å; V242-I288 HydrophobicContact CG2-CD1 3.68Å; V242-I288 HydrophobicContact CG2-CG2 4.14Å; F244-I288 HydrophobicContact CZ-CG2 4.33Å; V281-I288 HydrophobicContact CG1-CG2 3.62Å; V282-I288 WeakPolarHBondContact O-CA 3.29Å; V283-I288 HydrophobicContact CG1-CG1 4.14Å; V283-I288 HydrophobicContact CG2-CG1 4.44Å
289V97.8Very high97Very high35 Ų3536.2 Ų36.221%0.21218%0.176CC..EExtended strand (participates in β ladder)trans-122.6130.7178.9-173.10000107.9V282 K287 L307 L310V282-V289 PolarHBondContact N-O 2.98Å; V282-V289 PolarHBondContact O-N 2.95Å; K287-V289 HydrophobicContact CD-CG2 3.7Å; K287-V289 HydrophobicContact CG-CG2 3.96Å; V289-L307 HydrophobicContact CB-CD2 4.2Å; V289-L307 HydrophobicContact CG1-CD2 3.56Å; V289-L310 HydrophobicContact CB-CD1 4.16Å; V289-L310 HydrophobicContact CG1-CD1 4.49Å; V289-L310 HydrophobicContact CG2-CD1 3.85Å
290H98.2Very high96.8Very high60 Ų6042.6 Ų42.628%0.27821%0.207SC..EExtended strand (participates in β ladder)trans-136154.2-179.662.588.9000112.2F244 V262 R279 V280 V281F244-H290 HydrophobicContact CE1-CB 4.42Å; V262-H290 WeakPolarHBondContact CG2-NE2 3.43Å; R279-H290 HydrophobicContact CG-CB 4.09Å; R279-H290 PolarHBondContact NH1-ND1 2.92Å; V280-H290 CarbonylContact O-C 3.47Å; V280-H290 WeakPolarHBondContact O-CA 3.46Å; V280-H290 WeakPolarHBondContact O-CB 3.24Å; V281-H290 HydrophobicContact CB-CB 4.34Å; V281-H290 HydrophobicContact CG1-CB 4.3Å; V281-H290 HydrophobicContact CG2-CB 3.89Å
291R98.3Very high96.6Very high72 Ų7250 Ų5027%0.27224%0.239SC..EExtended strand (participates in β ladder)trans-147.8138.9177-174177.9-69.1142.50.3109.9R279 V280 Y293 E304 D306 L307R279-R291 CarbonylContact C-O 3.53Å; R279-R291 WeakPolarHBondContact CA-O 3.01Å; V280-R291 PolarHBondContact N-O 3.25Å; V280-R291 PolarHBondContact O-N 3.48Å; R291-Y293 HydrophobicContact CB-CD2 4.39Å; R291-Y293 HydrophobicContact CB-CE2 3.71Å; R291-Y293 HydrophobicContact CG-CD2 4.34Å; R291-Y293 HydrophobicContact CG-CE2 3.85Å; R291-Y293 WeakPolarHBondContact O-CD2 3.26Å; R291-E304 WeakPolarHBondContact CD-OE2 3.41Å; R291-E304 IonicContact CZ-OE2 3.46Å; R291-E304 IonicContact NE-OE2 3.54Å; R291-E304 PolarHBondContact NE-OE2 3.26Å; R291-E304 VanDerWaalsContact NH1-CD 3.34Å; R291-E304 IonicContact NH1-OE1 3.3Å; R291-E304 IonicContact NH1-OE2 3.29Å; R291-E304 PolarHBondContact NH1-OE2 3.47Å; R291-D306 IonicContact CZ-OD1 3.89Å; R291-D306 IonicContact CZ-OD2 3.71Å; R291-D306 IonicContact NH1-OD1 3.92Å; R291-D306 PolarHBondContact NH1-OD1 3.44Å; R291-D306 IonicContact NH1-OD2 3.8Å; R291-D306 PolarHBondContact NH1-OD2 3.47Å; R291-D306 IonicContact NH2-OD1 3.67Å; R291-D306 IonicContact NH2-OD2 3.25Å; R291-D306 PolarHBondContact NH2-OD2 3.33Å; R291-L307 HydrophobicContact CB-CD1 4.15Å
292Y98.6Very high96.4Very high34 Ų3450.9 Ų50.913%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-88.5136.4174.8-167.5-96.7000108.8N251 S265 A266 P275 G277 R279N251-Y292 WeakPolarHBondContact ND2-CD1 3.09Å; N251-Y292 WeakPolarHBondContact ND2-CE1 3.33Å; N251-Y292 VanDerWaalsContact OD1-CD2 3.23Å; N251-Y292 WeakPolarHBondContact OD1-CD2 3.32Å; S265-Y292 WeakPolarHBondContact CB-OH 3.32Å; S265-Y292 WeakPolarHBondContact O-CE2 3.36Å; S265-Y292 PolarHBondContact O-OH 3.41Å; S265-Y292 VanDerWaalsContact O-OH 3.09Å; A266-Y292 PolarHBondContact O-OH 3.09Å; P275-Y292 HydrophobicContact CG-CE1 4.44Å; P275-Y292 WeakPolarHBondContact O-CE1 3.46Å; P275-Y292 PolarHBondContact O-OH 3.11Å; G277-Y292 VanDerWaalsContact C-OH 3.25Å; G277-Y292 WeakPolarHBondContact CA-OH 3.15Å; G277-Y292 PolarHBondContact N-OH 2.71Å; G277-Y292 PolarHBondContact O-OH 3.01Å; R279-Y292 HydrophobicContact CB-CD2 4.24Å
293Y98.6Very high96.3Very high7 Ų751.9 Ų51.93%0.02725%0.253CS..EExtended strand (participates in β ladder)trans-126.6139179.2-66.7-106.9000108.1G277 L278 V280 R291 E297 L298 E304 L307G277-Y293 CarbonylContact C-O 3.18Å; G277-Y293 WeakPolarHBondContact CA-O 3.44Å; L278-Y293 PolarHBondContact N-O 3.21Å; L278-Y293 PolarHBondContact O-N 3.01Å; V280-Y293 HydrophobicContact CB-CD2 4.23Å; V280-Y293 HydrophobicContact CB-CE2 3.75Å; V280-Y293 HydrophobicContact CG2-CD2 3.62Å; V280-Y293 HydrophobicContact CG2-CE2 3.46Å; V280-Y293 VanDerWaalsContact CG2-CE2 3.46Å; R291-Y293 HydrophobicContact CB-CD2 4.39Å; R291-Y293 HydrophobicContact CB-CE2 3.71Å; R291-Y293 HydrophobicContact CG-CD2 4.34Å; R291-Y293 HydrophobicContact CG-CE2 3.85Å; R291-Y293 WeakPolarHBondContact O-CD2 3.26Å; Y293-E297 HydrophobicContact CD1-CB 4.43Å; Y293-L298 HydrophobicContact CD1-CD1 4.34Å; Y293-L298 HydrophobicContact CG-CD1 4.27Å; Y293-E304 HydrophobicContact CE1-CG 4.28Å; Y293-E304 WeakPolarHBondContact CE1-OE2 3.33Å; Y293-E304 PolarHBondContact OH-N 3.24Å; Y293-E304 PolarHBondContact OH-OE2 3.23Å; Y293-L307 HydrophobicContact CE2-CD1 4.47Å; Y293-L307 WeakPolarHBondContact OH-CD1 3.3Å
294S98.5Very high96.1Very high15 Ų1556 Ų5611%0.10527%0.272CS..EExtended strand (participates in β ladder)trans-61.6156.3161.9620000110.8H276 D296 E297 L298H276-S294 CarbonylContact O-C 3.57Å; H276-S294 VanDerWaalsContact O-CA 3.29Å; H276-S294 WeakPolarHBondContact O-CA 3.44Å; S294-D296 PolarHBondContact O-N 3.43Å; S294-E297 WeakPolarHBondContact CB-OE2 2.81Å; S294-E297 PolarHBondContact N-OE2 3.36Å; S294-E297 PolarHBondContact O-N 3Å; S294-E297 VanDerWaalsContact OG-CB 3.28Å; S294-E297 WeakPolarHBondContact OG-CB 3.04Å; S294-E297 WeakPolarHBondContact OG-CG 3.48Å; S294-E297 PolarHBondContact OG-N 2.78Å; S294-E297 VanDerWaalsContact OG-N 3.12Å; S294-E297 PolarHBondContact OG-OE2 2.89Å; S294-L298 PolarHBondContact O-N 2.76Å
295L98.4Very high96Very high3 Ų357.9 Ų57.92%0.01629%0.293CS..Hα-helixtrans-58.2-36.1174.9-62.9-177.8000111.9L67 Q70 A71 H276 L278 S299L67-L295 HydrophobicContact CB-CD1 4.31Å; L67-L295 HydrophobicContact CD2-CD1 3.98Å; L67-L295 WeakPolarHBondContact O-CD1 3.37Å; Q70-L295 HydrophobicContact CB-CD1 4.29Å; Q70-L295 HydrophobicContact CG-CB 4.09Å; Q70-L295 HydrophobicContact CG-CD1 4.38Å; A71-L295 HydrophobicContact CB-CD2 3.68Å; H276-L295 HydrophobicContact CB-CD1 4.09Å; H276-L295 HydrophobicContact CB-CG 4.33Å; H276-L295 PolarHBondContact O-N 3.44Å; L278-L295 HydrophobicContact CD1-CD2 4Å; L278-L295 HydrophobicContact CG-CD2 3.9Å; L295-S299 WeakPolarHBondContact O-CB 3.44Å; L295-S299 PolarHBondContact O-N 2.87Å; L295-S299 PolarHBondContact O-OG 2.94Å
296D97.4Very high96.1Very high93 Ų9361 Ų6150%0.49731%0.307SS..Hα-helixtrans-67.5-49.9177.7-64.7-21.8000111.3Q70 S294 L298 S299 E300Q70-D296 PolarHBondContact NE2-OD1 2.75Å; S294-D296 PolarHBondContact O-N 3.43Å; D296-L298 PolarHBondContact O-N 3.22Å; D296-S299 PolarHBondContact O-N 2.93Å; D296-E300 WeakPolarHBondContact O-CB 3.37Å; D296-E300 WeakPolarHBondContact O-CG 3.46Å; D296-E300 PolarHBondContact O-N 3.15Å
297E97.1Very high96.4Very high82 Ų8253.7 Ų53.738%0.38327%0.273SS..Hα-helixtrans-58.2-46.8178.4-75.2164.6142.300111.9Y293 S294 S299 K301 G302Y293-E297 HydrophobicContact CD1-CB 4.43Å; S294-E297 WeakPolarHBondContact CB-OE2 2.81Å; S294-E297 PolarHBondContact N-OE2 3.36Å; S294-E297 PolarHBondContact O-N 3Å; S294-E297 VanDerWaalsContact OG-CB 3.28Å; S294-E297 WeakPolarHBondContact OG-CB 3.04Å; S294-E297 WeakPolarHBondContact OG-CG 3.48Å; S294-E297 PolarHBondContact OG-N 2.78Å; S294-E297 VanDerWaalsContact OG-N 3.12Å; S294-E297 PolarHBondContact OG-OE2 2.89Å; E297-S299 VanDerWaalsContact C-N 3.33Å; E297-S299 PolarHBondContact O-N 2.62Å; E297-K301 WeakPolarHBondContact O-CA 3.44Å; E297-K301 WeakPolarHBondContact O-CB 3.32Å; E297-K301 PolarHBondContact O-N 3.46Å; E297-G302 PolarHBondContact O-N 3.09Å
298L96.5Very high96.4Very high4 Ų450 Ų502%0.02126%0.258CS..Hα-helixtrans-67.2-36.2-179.8-167.267000111.7A74 L78 L278 V280 Y293 S294 D296 G302 I303A74-L298 HydrophobicContact CB-CB 4.5Å; A74-L298 HydrophobicContact CB-CD2 4.19Å; A74-L298 HydrophobicContact CB-CG 4.33Å; L78-L298 HydrophobicContact CD2-CD1 4.15Å; L78-L298 HydrophobicContact CD2-CG 4.47Å; L278-L298 HydrophobicContact CB-CD2 4.26Å; L278-L298 HydrophobicContact CD1-CD2 3.78Å; V280-L298 HydrophobicContact CG2-CD1 3.95Å; Y293-L298 HydrophobicContact CD1-CD1 4.34Å; Y293-L298 HydrophobicContact CG-CD1 4.27Å; S294-L298 PolarHBondContact O-N 2.76Å; D296-L298 PolarHBondContact O-N 3.22Å; L298-G302 VanDerWaalsContact O-CA 3.27Å; L298-G302 WeakPolarHBondContact O-CA 3.48Å; L298-G302 PolarHBondContact O-N 3.29Å; L298-G302 VanDerWaalsContact O-N 3.14Å; L298-I303 HydrophobicContact CD1-CG1 4.19Å
299S94.4Very high96.3Very high29 Ų2952.9 Ų52.920%0.20327%0.274CS..Hα-helixtrans-70.5-39.1179.5-65.10000113.3A74 L295 D296 E297A74-S299 WeakPolarHBondContact CB-OG 3.41Å; L295-S299 WeakPolarHBondContact O-CB 3.44Å; L295-S299 PolarHBondContact O-N 2.87Å; L295-S299 PolarHBondContact O-OG 2.94Å; D296-S299 PolarHBondContact O-N 2.93Å; E297-S299 VanDerWaalsContact C-N 3.33Å; E297-S299 PolarHBondContact O-N 2.62Å
300E94.9Very high96.2Very high153 Ų15352.3 Ų52.372%0.71527%0.269SS*.Hα-helixtrans-89.7-42.7-174.2-67.8-178.8171.700112.7D296D296-E300 WeakPolarHBondContact O-CB 3.37Å; D296-E300 WeakPolarHBondContact O-CG 3.46Å; D296-E300 PolarHBondContact O-N 3.15Å
301K95.1Very high95.9Very high156 Ų15650.7 Ų50.768%0.67826%0.263SS*.Hα-helixtrans-106.6-18.3-170.8-56.8174.5-173.9165.50112.8E297E297-K301 WeakPolarHBondContact O-CA 3.44Å; E297-K301 WeakPolarHBondContact O-CB 3.32Å; E297-K301 PolarHBondContact O-N 3.46Å
302G94.9Very high95.4Very high18 Ų1854.2 Ų54.219%0.18628%0.28CS..  trans67.4-152.7-173.200000112.3E297 L298E297-G302 PolarHBondContact O-N 3.09Å; L298-G302 VanDerWaalsContact O-CA 3.27Å; L298-G302 WeakPolarHBondContact O-CA 3.48Å; L298-G302 PolarHBondContact O-N 3.29Å; L298-G302 VanDerWaalsContact O-N 3.14Å
303I96Very high94.4Very high20 Ų2059 Ų5910%0.10330%0.301CS..SBendtrans-86.2134179.4-59169.2000109.1Y34 L78 V280 L298 L307 M308Y34-I303 HydrophobicContact CD2-CD1 3.92Å; Y34-I303 HydrophobicContact CE2-CD1 3.38Å; L78-I303 HydrophobicContact CD1-CD1 4.3Å; L78-I303 HydrophobicContact CD2-CD1 4.18Å; L78-I303 HydrophobicContact CD2-CG1 4.02Å; V280-I303 HydrophobicContact CG1-CD1 3.88Å; V280-I303 HydrophobicContact CG1-CG1 4.14Å; V280-I303 HydrophobicContact CG1-CG2 4.27Å; V280-I303 HydrophobicContact CG2-CD1 4.49Å; V280-I303 HydrophobicContact CG2-CG1 4.12Å; L298-I303 HydrophobicContact CD1-CG1 4.19Å; I303-L307 HydrophobicContact CG2-CB 3.65Å; I303-L307 HydrophobicContact CG2-CD1 4.13Å; I303-L307 HydrophobicContact CG2-CG 4.49Å; I303-M308 HydrophobicContact CB-CG 4.02Å; I303-M308 HydrophobicContact CB-SD 3.86Å; I303-M308 HydrophobicContact CD1-SD 4.19Å; I303-M308 HydrophobicContact CG2-CG 3.92Å; I303-M308 HydrophobicContact CG2-SD 3.93Å
304E93.4Very high92.5Very high87 Ų8770.8 Ų70.841%0.40735%0.353SS..  trans-62.6151.5-179.3-68.1137.6134.600112.9R291 Y293 D306 L307 M308R291-E304 WeakPolarHBondContact CD-OE2 3.41Å; R291-E304 IonicContact CZ-OE2 3.46Å; R291-E304 IonicContact NE-OE2 3.54Å; R291-E304 PolarHBondContact NE-OE2 3.26Å; R291-E304 VanDerWaalsContact NH1-CD 3.34Å; R291-E304 IonicContact NH1-OE1 3.3Å; R291-E304 IonicContact NH1-OE2 3.29Å; R291-E304 PolarHBondContact NH1-OE2 3.47Å; Y293-E304 HydrophobicContact CE1-CG 4.28Å; Y293-E304 WeakPolarHBondContact CE1-OE2 3.33Å; Y293-E304 PolarHBondContact OH-N 3.24Å; Y293-E304 PolarHBondContact OH-OE2 3.23Å; E304-D306 VanDerWaalsContact C-N 3.25Å; E304-D306 WeakPolarHBondContact CB-OD1 3.48Å; E304-D306 PolarHBondContact O-N 2.63Å; E304-L307 PolarHBondContact O-N 2.67Å; E304-M308 PolarHBondContact O-N 3.38Å; E304-M308 VanDerWaalsContact O-N 3.08Å
305G93.4Very high92.2Very high46 Ų4673.6 Ų73.647%0.47437%0.365SS..Hα-helixtrans-57.7-34.2-172.300000114M308 D309G305-M308 PolarHBondContact O-N 3.11Å; G305-D309 WeakPolarHBondContact O-CB 3.35Å; G305-D309 PolarHBondContact O-N 2.98Å
306D95.1Very high91.9Very high80 Ų8077.3 Ų77.343%0.42838%0.383SS..Hα-helixtrans-65.2-40.7179.968.4-40.2000112.8R291 E304 L310R291-D306 IonicContact CZ-OD1 3.89Å; R291-D306 IonicContact CZ-OD2 3.71Å; R291-D306 IonicContact NH1-OD1 3.92Å; R291-D306 PolarHBondContact NH1-OD1 3.44Å; R291-D306 IonicContact NH1-OD2 3.8Å; R291-D306 PolarHBondContact NH1-OD2 3.47Å; R291-D306 IonicContact NH2-OD1 3.67Å; R291-D306 IonicContact NH2-OD2 3.25Å; R291-D306 PolarHBondContact NH2-OD2 3.33Å; E304-D306 VanDerWaalsContact C-N 3.25Å; E304-D306 WeakPolarHBondContact CB-OD1 3.48Å; E304-D306 PolarHBondContact O-N 2.63Å; D306-L310 PolarHBondContact O-N 2.72Å
307L95.9Very high91.6Very high1 Ų176.4 Ų76.41%0.00538%0.377CS..Hα-helixtrans-71-39.3172.9-66.6-171.3000111.3V280 V282 V289 R291 Y293 I303 E304 D309 L310 I311V280-L307 HydrophobicContact CG1-CD1 4.39Å; V282-L307 HydrophobicContact CG2-CB 3.99Å; V282-L307 HydrophobicContact CG2-CD1 4.46Å; V282-L307 HydrophobicContact CG2-CD2 4.23Å; V282-L307 HydrophobicContact CG2-CG 4.46Å; V289-L307 HydrophobicContact CB-CD2 4.2Å; V289-L307 HydrophobicContact CG1-CD2 3.56Å; R291-L307 HydrophobicContact CB-CD1 4.15Å; Y293-L307 HydrophobicContact CE2-CD1 4.47Å; Y293-L307 WeakPolarHBondContact OH-CD1 3.3Å; I303-L307 HydrophobicContact CG2-CB 3.65Å; I303-L307 HydrophobicContact CG2-CD1 4.13Å; I303-L307 HydrophobicContact CG2-CG 4.49Å; E304-L307 PolarHBondContact O-N 2.67Å; L307-D309 VanDerWaalsContact C-N 3.27Å; L307-D309 PolarHBondContact O-N 3.01Å; L307-L310 HydrophobicContact CD2-CD1 4.24Å; L307-L310 WeakPolarHBondContact O-CB 3.08Å; L307-L310 PolarHBondContact O-N 3.47Å; L307-I311 PolarHBondContact O-N 3.34Å
308M94.8Very high91.3Very high28 Ų2876.1 Ų76.114%0.13838%0.377CS..Hα-helixtrans-63.7-33.4176.3-69.8-58.8-68.400112.8I303 E304 G305 L310 I311 K312I303-M308 HydrophobicContact CB-CG 4.02Å; I303-M308 HydrophobicContact CB-SD 3.86Å; I303-M308 HydrophobicContact CD1-SD 4.19Å; I303-M308 HydrophobicContact CG2-CG 3.92Å; I303-M308 HydrophobicContact CG2-SD 3.93Å; E304-M308 PolarHBondContact O-N 3.38Å; E304-M308 VanDerWaalsContact O-N 3.08Å; G305-M308 PolarHBondContact O-N 3.11Å; M308-L310 VanDerWaalsContact C-N 3.34Å; M308-I311 PolarHBondContact O-N 3Å; M308-I311 HydrophobicContact SD-CD1 3.81Å; M308-K312 WeakPolarHBondContact O-CG 3.11Å; M308-K312 PolarHBondContact O-N 3.09Å
309D95.3Very high91Very high87 Ų8780.6 Ų80.647%0.46540%0.399SS..Hα-helixtrans-68.8-33.4175.6-73.1-16.3000111.9G305 L307 I311 K312 K313G305-D309 WeakPolarHBondContact O-CB 3.35Å; G305-D309 PolarHBondContact O-N 2.98Å; L307-D309 VanDerWaalsContact C-N 3.27Å; L307-D309 PolarHBondContact O-N 3.01Å; D309-I311 VanDerWaalsContact C-N 3.34Å; D309-K312 PolarHBondContact O-N 2.96Å; D309-K313 WeakPolarHBondContact O-CG 3.46Å; D309-K313 PolarHBondContact O-N 3.33Å
310L94.8Very high90.7Very high24 Ų2484 Ų8413%0.12641%0.412CS..Hα-helixtrans-64.8-38.4172.4-66.1174.4000111.8P32 V282 T284 V289 D306 L307 M308 K312 K313P32-L310 WeakPolarHBondContact CB-O 3.15Å; V282-L310 HydrophobicContact CG1-CB 3.88Å; T284-L310 HydrophobicContact CG2-CB 4.21Å; T284-L310 HydrophobicContact CG2-CD2 4.42Å; V289-L310 HydrophobicContact CB-CD1 4.16Å; V289-L310 HydrophobicContact CG1-CD1 4.49Å; V289-L310 HydrophobicContact CG2-CD1 3.85Å; D306-L310 PolarHBondContact O-N 2.72Å; L307-L310 HydrophobicContact CD2-CD1 4.24Å; L307-L310 WeakPolarHBondContact O-CB 3.08Å; L307-L310 PolarHBondContact O-N 3.47Å; M308-L310 VanDerWaalsContact C-N 3.34Å; L310-K312 VanDerWaalsContact C-N 3.29Å; L310-K312 PolarHBondContact O-N 2.69Å; L310-K313 PolarHBondContact O-N 3.09Å
311I91.7Very high90.4Very high26 Ų2679.1 Ų79.113%0.13339%0.39CS..Hα-helixtrans-67.5-31.8178.4-62.6161000111.4Y34 P80 V282 L307 M308 D309Y34-I311 HydrophobicContact CD1-CD1 3.44Å; Y34-I311 VanDerWaalsContact CD1-CD1 3.44Å; Y34-I311 HydrophobicContact CD1-CG1 4.17Å; Y34-I311 HydrophobicContact CE1-CD1 4.12Å; Y34-I311 HydrophobicContact CG-CD1 3.74Å; P80-I311 HydrophobicContact CG-CG2 4.41Å; V282-I311 HydrophobicContact CG1-CG1 3.78Å; V282-I311 HydrophobicContact CG2-CD1 4.09Å; V282-I311 HydrophobicContact CG2-CG1 4.13Å; L307-I311 PolarHBondContact O-N 3.34Å; M308-I311 PolarHBondContact O-N 3Å; M308-I311 HydrophobicContact SD-CD1 3.81Å; D309-I311 VanDerWaalsContact C-N 3.34Å
312K88.4Confident90.1Very high145 Ų14573.2 Ų73.263%0.6337%0.368SS*.Hα-helixtrans-83.8-17.1-177.8-69171.8-171.6167.60114.1M308 D309 L310 K314M308-K312 WeakPolarHBondContact O-CG 3.11Å; M308-K312 PolarHBondContact O-N 3.09Å; D309-K312 PolarHBondContact O-N 2.96Å; L310-K312 VanDerWaalsContact C-N 3.29Å; L310-K312 PolarHBondContact O-N 2.69Å; K312-K314 PolarHBondContact O-N 3.31Å; K312-K314 VanDerWaalsContact O-N 3.08Å
313K77.8Confident89.7Confident136 Ų13677.8 Ų77.859%0.59138%0.383SS*.  trans-71.499.9176.4-78.1172.9-176.9-178.90108.9P32 D309 L310P32-K313 WeakPolarHBondContact CD-O 3.42Å; P32-K313 WeakPolarHBondContact CG-O 3.25Å; D309-K313 WeakPolarHBondContact O-CG 3.46Å; D309-K313 PolarHBondContact O-N 3.33Å; L310-K313 PolarHBondContact O-N 3.09Å
314K59.5Low89.1Confident253 Ų25383 Ų83100%1.141%0.409SS*.  trans-73.30172.6-71.5-173.8176.8-176.90111.4K312K312-K314 PolarHBondContact O-N 3.31Å; K312-K314 VanDerWaalsContact O-N 3.08Å

Retrieved 314 of 314 residues in 85 ms (Link to these results)

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