A0A077ZJB8_TRITR Loading...

Large ribosomal subunit protein uL6

One of the primary rRNA binding proteins, it binds directly to 16S rRNA central domain where it helps coordinate assembly of the platform of the 30S subunit.

AlphaFold DB , UniProt , Accession A0A077ZJB8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 452 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
1M44.4Very low80.6Confident242 Ų24283.5 Ų83.5100%1.19246%0.461SS*.  0115.20-108.3175.3-18000107.9M3M1-M3 PolarHBondContact O-N 2.92Å; M1-M3 VanDerWaalsContact O-N 3.08Å
2V52.7Low81.7Confident136 Ų13680.3 Ų80.382%0.82445%0.446SS*.  trans-67.5106.8167.1-177.60000105.6T4V2-T4 PolarHBondContact O-N 3.08Å
3M67.6Low82.7Confident186 Ų18682 Ų8292%0.91644%0.441SS*.  trans-7095.8-178.9-163.4-173.2-70.400107.9M1M1-M3 PolarHBondContact O-N 2.92Å; M1-M3 VanDerWaalsContact O-N 3.08Å
4T80.6Confident83.6Confident107 Ų10776.1 Ų76.166%0.65641%0.41SS*.  trans-72.6129.8179.847.80000110V2 P6V2-T4 PolarHBondContact O-N 3.08Å; T4-P6 WeakPolarHBondContact O-CD 3.2Å
5D87.6Confident84.3Confident30 Ų3075.5 Ų75.516%0.1640%0.399CS..  trans-71113.6174.3174.7-13.1000110.9I7 A8 D9 R79 P83D5-I7 VanDerWaalsContact C-N 3.3Å; D5-I7 PolarHBondContact O-N 3.24Å; D5-I7 PolarHBondContact OD1-N 3.27Å; D5-A8 HydrophobicContact CB-CB 3.8Å; D5-A8 VanDerWaalsContact CG-CB 3.45Å; D5-A8 PolarHBondContact O-N 3.47Å; D5-A8 PolarHBondContact OD1-N 2.84Å; D5-A8 WeakPolarHBondContact OD2-CB 3.28Å; D5-D9 WeakPolarHBondContact O-CB 3.39Å; D5-D9 PolarHBondContact O-N 2.95Å; D5-R79 IonicContact OD1-CZ 3.15Å; D5-R79 IonicContact OD1-NH1 2.72Å; D5-R79 PolarHBondContact OD1-NH1 3.22Å; D5-R79 WeakPolarHBondContact OD2-CD 3.43Å; D5-R79 IonicContact OD2-CZ 3.16Å; D5-R79 IonicContact OD2-NE 3.2Å; D5-R79 PolarHBondContact OD2-NE 3.07Å; D5-R79 IonicContact OD2-NH1 2.84Å; D5-R79 PolarHBondContact OD2-NH1 3.23Å; D5-P83 HydrophobicContact CB-CG 4.24Å; D5-P83 WeakPolarHBondContact OD2-CD 3.47Å
6P89.6Confident85Confident74 Ų7476.3 Ų76.348%0.48140%0.403SS..Hα-helixtrans-66.4-26.9-177-21.134.3000114.5T4 F10T4-P6 WeakPolarHBondContact O-CD 3.2Å; P6-F10 WeakPolarHBondContact O-CB 3.07Å; P6-F10 PolarHBondContact O-N 2.72Å
7I91.1Very high85.5Confident32 Ų3272.4 Ų72.416%0.16439%0.385CS..Hα-helixtrans-80.7-42.1179.4-56.4175.4000109.3D5 D9 F10 L11 I32 I36D5-I7 VanDerWaalsContact C-N 3.3Å; D5-I7 PolarHBondContact O-N 3.24Å; D5-I7 PolarHBondContact OD1-N 3.27Å; I7-D9 VanDerWaalsContact C-N 3.32Å; I7-D9 PolarHBondContact O-N 3.43Å; I7-F10 PolarHBondContact O-N 3.37Å; I7-L11 HydrophobicContact CG2-CD1 4.25Å; I7-L11 HydrophobicContact CG2-CG 4.48Å; I7-L11 WeakPolarHBondContact O-CG 3.47Å; I7-L11 PolarHBondContact O-N 2.88Å; I7-I32 HydrophobicContact CD1-CD1 4.48Å; I7-I32 HydrophobicContact CD1-CG2 3.56Å; I7-I32 HydrophobicContact CG1-CG2 4.16Å; I7-I36 HydrophobicContact CG2-CD1 3.87Å
8A92.1Very high85.8Confident29 Ų2968.6 Ų68.624%0.2437%0.365CS..Hα-helixtrans-63.7-39.7175.400000111.3D5 T12D5-A8 HydrophobicContact CB-CB 3.8Å; D5-A8 VanDerWaalsContact CG-CB 3.45Å; D5-A8 PolarHBondContact O-N 3.47Å; D5-A8 PolarHBondContact OD1-N 2.84Å; D5-A8 WeakPolarHBondContact OD2-CB 3.28Å; A8-T12 VanDerWaalsContact O-CB 3.25Å; A8-T12 WeakPolarHBondContact O-CB 3.39Å; A8-T12 PolarHBondContact O-N 2.85Å; A8-T12 PolarHBondContact O-OG1 2.66Å
9D92.6Very high86.1Confident63 Ų6371 Ų7134%0.33738%0.375SS..Hα-helixtrans-59.9-49.3173.3-178.657.1000111.1D5 I7 L11 T12 R13D5-D9 WeakPolarHBondContact O-CB 3.39Å; D5-D9 PolarHBondContact O-N 2.95Å; I7-D9 VanDerWaalsContact C-N 3.32Å; I7-D9 PolarHBondContact O-N 3.43Å; D9-L11 PolarHBondContact O-N 3.12Å; D9-T12 PolarHBondContact O-N 3.47Å; D9-T12 VanDerWaalsContact O-N 3.12Å; D9-R13 WeakPolarHBondContact O-CG 3.49Å; D9-R13 PolarHBondContact O-N 3.35Å; D9-R13 IonicContact OD1-NE 2.87Å; D9-R13 PolarHBondContact OD1-NE 3Å; D9-R13 IonicContact OD2-CZ 3.22Å; D9-R13 IonicContact OD2-NE 3.75Å; D9-R13 PolarHBondContact OD2-NE 3.29Å; D9-R13 IonicContact OD2-NH2 3.65Å; D9-R13 PolarHBondContact OD2-NH2 3.49Å; D9-R13 VanDerWaalsContact OD2-NH2 3.12Å
10F94.1Very high86.5Confident0 Ų072.6 Ų72.60%039%0.387CS..Hα-helixtrans-55.7-50.8176.9172.7-112.4000113P6 I7 T12 R13 I14 V27 K33 I36 A37 V62P6-F10 WeakPolarHBondContact O-CB 3.07Å; P6-F10 PolarHBondContact O-N 2.72Å; I7-F10 PolarHBondContact O-N 3.37Å; F10-T12 VanDerWaalsContact C-N 3.28Å; F10-T12 PolarHBondContact O-N 3.17Å; F10-R13 PolarHBondContact O-N 2.93Å; F10-I14 HydrophobicContact CD1-CD1 4.27Å; F10-I14 HydrophobicContact CD2-CD1 4.14Å; F10-I14 HydrophobicContact CE1-CD1 3.77Å; F10-I14 HydrophobicContact CE2-CD1 3.64Å; F10-I14 HydrophobicContact CE2-CG1 4.4Å; F10-I14 HydrophobicContact CG-CD1 4.44Å; F10-I14 HydrophobicContact CZ-CD1 3.43Å; F10-I14 VanDerWaalsContact CZ-CD1 3.43Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 2.98Å; F10-I14 VanDerWaalsContact O-N 3.15Å; F10-V27 HydrophobicContact CB-CG1 4.25Å; F10-V27 HydrophobicContact CD2-CB 3.82Å; F10-V27 HydrophobicContact CD2-CG1 3.82Å; F10-V27 HydrophobicContact CD2-CG2 3.79Å; F10-V27 HydrophobicContact CE2-CB 4.37Å; F10-V27 HydrophobicContact CE2-CG2 4.27Å; F10-K33 HydrophobicContact CB-CD 3.58Å; F10-K33 HydrophobicContact CB-CG 4.13Å; F10-K33 HydrophobicContact CD1-CB 4.41Å; F10-K33 HydrophobicContact CD1-CD 4.42Å; F10-K33 HydrophobicContact CD1-CG 4.12Å; F10-K33 HydrophobicContact CD2-CD 4.12Å; F10-K33 HydrophobicContact CG-CB 4.43Å; F10-K33 HydrophobicContact CG-CD 3.81Å; F10-K33 HydrophobicContact CG-CG 4.01Å; F10-I36 HydrophobicContact CE1-CB 4.22Å; F10-I36 HydrophobicContact CE1-CG2 3.83Å; F10-A37 HydrophobicContact CZ-CB 4.09Å; F10-V62 HydrophobicContact CE2-CG2 4.15Å; F10-V62 HydrophobicContact CZ-CG2 4.37Å
11L93.9Very high86.6Confident19 Ų1973.7 Ų73.710%0.09939%0.389CS..Hα-helixtrans-64.2-34.2177.7-64.9176.3000112.2I7 D9 R15 I36 L77 R79I7-L11 HydrophobicContact CG2-CD1 4.25Å; I7-L11 HydrophobicContact CG2-CG 4.48Å; I7-L11 WeakPolarHBondContact O-CG 3.47Å; I7-L11 PolarHBondContact O-N 2.88Å; D9-L11 PolarHBondContact O-N 3.12Å; L11-R15 WeakPolarHBondContact O-CB 3.34Å; L11-R15 PolarHBondContact O-N 2.62Å; L11-I36 HydrophobicContact CD2-CG2 4.41Å; L11-L77 HydrophobicContact CB-CB 4.41Å; L11-L77 HydrophobicContact CD2-CB 4.48Å; L11-R79 HydrophobicContact CD1-CB 4.09Å
12T94.3Very high88.9Confident46 Ų4667.1 Ų67.128%0.28236%0.355SS..Hα-helixtrans-72-40.6179-57.50000111.5A8 D9 F10 R15 N16A8-T12 VanDerWaalsContact O-CB 3.25Å; A8-T12 WeakPolarHBondContact O-CB 3.39Å; A8-T12 PolarHBondContact O-N 2.85Å; A8-T12 PolarHBondContact O-OG1 2.66Å; D9-T12 PolarHBondContact O-N 3.47Å; D9-T12 VanDerWaalsContact O-N 3.12Å; F10-T12 VanDerWaalsContact C-N 3.28Å; F10-T12 PolarHBondContact O-N 3.17Å; T12-R15 PolarHBondContact O-N 2.97Å; T12-N16 WeakPolarHBondContact O-CB 3.2Å; T12-N16 PolarHBondContact O-N 2.71Å; T12-N16 PolarHBondContact O-OD1 2.81Å
13R94.4Very high90.7Very high102 Ų10265.9 Ų65.939%0.38534%0.344SS..Hα-helixtrans-60.6-46.5174.3-71.4-177.6-168.1-145.62.2111.6D9 F10 R15 N16 A17 V25 V27D9-R13 WeakPolarHBondContact O-CG 3.49Å; D9-R13 PolarHBondContact O-N 3.35Å; D9-R13 IonicContact OD1-NE 2.87Å; D9-R13 PolarHBondContact OD1-NE 3Å; D9-R13 IonicContact OD2-CZ 3.22Å; D9-R13 IonicContact OD2-NE 3.75Å; D9-R13 PolarHBondContact OD2-NE 3.29Å; D9-R13 IonicContact OD2-NH2 3.65Å; D9-R13 PolarHBondContact OD2-NH2 3.49Å; D9-R13 VanDerWaalsContact OD2-NH2 3.12Å; F10-R13 PolarHBondContact O-N 2.93Å; R13-R15 VanDerWaalsContact C-N 3.34Å; R13-R15 PolarHBondContact O-N 3.37Å; R13-N16 PolarHBondContact O-N 3.2Å; R13-A17 VanDerWaalsContact O-CB 3.26Å; R13-A17 WeakPolarHBondContact O-CB 3.25Å; R13-A17 PolarHBondContact O-N 2.97Å; R13-V25 HydrophobicContact CB-CG1 4.01Å; R13-V27 HydrophobicContact CB-CG2 4.22Å
14I94.8Very high92Very high0 Ų060 Ų600%032%0.318CS..Hα-helixtrans-61.6-44.4176.1-62.4167000110.6F10 N16 A17 N18 V25 L64 I74 L77F10-I14 HydrophobicContact CD1-CD1 4.27Å; F10-I14 HydrophobicContact CD2-CD1 4.14Å; F10-I14 HydrophobicContact CE1-CD1 3.77Å; F10-I14 HydrophobicContact CE2-CD1 3.64Å; F10-I14 HydrophobicContact CE2-CG1 4.4Å; F10-I14 HydrophobicContact CG-CD1 4.44Å; F10-I14 HydrophobicContact CZ-CD1 3.43Å; F10-I14 VanDerWaalsContact CZ-CD1 3.43Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 2.98Å; F10-I14 VanDerWaalsContact O-N 3.15Å; I14-N16 PolarHBondContact O-N 3.34Å; I14-A17 PolarHBondContact O-N 2.98Å; I14-N18 WeakPolarHBondContact O-CB 3.43Å; I14-N18 PolarHBondContact O-N 3.33Å; I14-V25 HydrophobicContact CG1-CG1 4.5Å; I14-L64 HydrophobicContact CG2-CD2 3.7Å; I14-I74 HydrophobicContact CG2-CD1 4.19Å; I14-L77 HydrophobicContact CB-CD1 3.93Å; I14-L77 HydrophobicContact CG2-CD1 3.6Å
15R94.2Very high92.6Very high67 Ų6755.4 Ų55.425%0.25329%0.29SS..Hα-helixtrans-60.1-48.1178.2-164.8-165.2-49142.113112.2L11 T12 R13 N18 M19 N76 L77L11-R15 WeakPolarHBondContact O-CB 3.34Å; L11-R15 PolarHBondContact O-N 2.62Å; T12-R15 PolarHBondContact O-N 2.97Å; R13-R15 VanDerWaalsContact C-N 3.34Å; R13-R15 PolarHBondContact O-N 3.37Å; R15-N18 PolarHBondContact O-N 2.85Å; R15-M19 WeakPolarHBondContact O-CG 3.48Å; R15-M19 PolarHBondContact O-N 2.84Å; R15-N76 WeakPolarHBondContact CD-OD1 3.37Å; R15-N76 PolarHBondContact NE-OD1 3.21Å; R15-L77 PolarHBondContact NE-O 2.99Å; R15-L77 PolarHBondContact NH2-O 2.59Å
16N95.3Very high92.9Very high87 Ų8758 Ų5847%0.46530%0.301SS..Hα-helixtrans-65.5-44.7-178.6-69.2-8.3000111.2T12 R13 I14 N18 M19 V20T12-N16 WeakPolarHBondContact O-CB 3.2Å; T12-N16 PolarHBondContact O-N 2.71Å; T12-N16 PolarHBondContact O-OD1 2.81Å; R13-N16 PolarHBondContact O-N 3.2Å; I14-N16 PolarHBondContact O-N 3.34Å; N16-N18 VanDerWaalsContact C-N 3.34Å; N16-N18 PolarHBondContact O-N 3.15Å; N16-M19 WeakPolarHBondContact O-CB 3.03Å; N16-M19 PolarHBondContact O-N 2.89Å; N16-M19 VanDerWaalsContact O-N 3.16Å; N16-V20 PolarHBondContact O-N 2.67Å; N16-V20 VanDerWaalsContact O-N 3.16Å
17A93.6Very high93.1Very high11 Ų1154.4 Ų54.49%0.09128%0.278CS..Hα-helixtrans-62.8-40.917600000112.4R13 I14 M19 V20 K21 H22 V25 L64R13-A17 VanDerWaalsContact O-CB 3.26Å; R13-A17 WeakPolarHBondContact O-CB 3.25Å; R13-A17 PolarHBondContact O-N 2.97Å; I14-A17 PolarHBondContact O-N 2.98Å; A17-M19 VanDerWaalsContact C-N 3.29Å; A17-M19 PolarHBondContact O-N 2.9Å; A17-V20 CarbonylContact O-C 3.4Å; A17-V20 PolarHBondContact O-N 2.74Å; A17-K21 PolarHBondContact O-N 3.36Å; A17-H22 HydrophobicContact CB-CB 4.18Å; A17-H22 PolarHBondContact O-N 3.47Å; A17-V25 HydrophobicContact CB-CB 4.46Å; A17-V25 HydrophobicContact CB-CG2 3.17Å; A17-L64 HydrophobicContact CB-CD1 3.9Å
18N92.3Very high93.1Very high4 Ų454.9 Ų54.92%0.02128%0.283CS..Hα-helixtrans-65.3-31.3174.9179.267.4000112.6I14 R15 N16 L64 R72 I74I14-N18 WeakPolarHBondContact O-CB 3.43Å; I14-N18 PolarHBondContact O-N 3.33Å; R15-N18 PolarHBondContact O-N 2.85Å; N16-N18 VanDerWaalsContact C-N 3.34Å; N16-N18 PolarHBondContact O-N 3.15Å; N18-L64 HydrophobicContact CB-CD1 3.9Å; N18-R72 WeakPolarHBondContact O-CD 3.37Å; N18-I74 PolarHBondContact ND2-O 3.2Å
19M91.2Very high93Very high114 Ų11453.6 Ų53.656%0.56227%0.273SS*.Hα-helixtrans-68.3-36.9174.1-76.3179.163.300112.9R15 N16 A17R15-M19 WeakPolarHBondContact O-CG 3.48Å; R15-M19 PolarHBondContact O-N 2.84Å; N16-M19 WeakPolarHBondContact O-CB 3.03Å; N16-M19 PolarHBondContact O-N 2.89Å; N16-M19 VanDerWaalsContact O-N 3.16Å; A17-M19 VanDerWaalsContact C-N 3.29Å; A17-M19 PolarHBondContact O-N 2.9Å
20V93Very high92.9Very high102 Ų10252.7 Ų52.762%0.61827%0.271SS*.Hα-helixtrans-91.80.3-179.2-172.60000112.3N16 A17N16-V20 PolarHBondContact O-N 2.67Å; N16-V20 VanDerWaalsContact O-N 3.16Å; A17-V20 CarbonylContact O-C 3.4Å; A17-V20 PolarHBondContact O-N 2.74Å
21K89.1Confident92.6Very high97 Ų9761 Ų6142%0.42231%0.308SS..THydrogen-bonded Turntrans63.442.9178.8-55.7178163.8-166.20114.2A17 Y66 D70A17-K21 PolarHBondContact O-N 3.36Å; K21-Y66 VanDerWaalsContact CA-OH 3.31Å; K21-Y66 WeakPolarHBondContact CA-OH 3.48Å; K21-Y66 HydrophobicContact CB-CE1 4.45Å; K21-Y66 HydrophobicContact CG-CE1 4.46Å; K21-D70 VanDerWaalsContact CD-OD2 3.28Å; K21-D70 WeakPolarHBondContact CD-OD2 3.49Å; K21-D70 WeakPolarHBondContact CE-O 3.43Å; K21-D70 WeakPolarHBondContact CE-OD2 3.28Å; K21-D70 PolarHBondContact NZ-O 3.37Å; K21-D70 IonicContact NZ-OD2 2.65Å; K21-D70 PolarHBondContact NZ-OD2 2.76Å
22H92.3Very high92.4Very high103 Ų10363.7 Ų63.748%0.47732%0.321SS..  trans-78.2137.2171.6-75-58.1000111.9A17 T24 L64 Y66A17-H22 HydrophobicContact CB-CB 4.18Å; A17-H22 PolarHBondContact O-N 3.47Å; H22-T24 VanDerWaalsContact C-N 3.3Å; H22-T24 PolarHBondContact O-N 2.81Å; H22-L64 WeakPolarHBondContact O-CD1 3.48Å; H22-Y66 PolarHBondContact N-OH 3.08Å; H22-Y66 PolarHBondContact O-OH 2.86Å
23D91.8Very high92.4Very high111 Ų11161.9 Ų61.959%0.59431%0.309SS*.SBendtrans-67.7-30.3178.1-65.2-35.7000113.2F63 L64D23-F63 CarbonylContact O-C 3.57Å; D23-F63 WeakPolarHBondContact O-CA 3.27Å; D23-L64 PolarHBondContact O-N 3.01Å
24T94.1Very high92.2Very high62 Ų6260.8 Ų60.838%0.3831%0.305SS..EExtended strand (participates in β ladder)trans-135.4149.5-173.258.30000112.9H22 V62 F63H22-T24 VanDerWaalsContact C-N 3.3Å; H22-T24 PolarHBondContact O-N 2.81Å; T24-V62 CarbonylContact C-O 3.47Å; T24-V62 WeakPolarHBondContact CA-O 3.36Å; T24-F63 HydrophobicContact CG2-CD1 3.39Å; T24-F63 HydrophobicContact CG2-CE1 3.48Å; T24-F63 VanDerWaalsContact CG2-CE1 3.48Å; T24-F63 HydrophobicContact CG2-CG 4.28Å; T24-F63 HydrophobicContact CG2-CZ 4.41Å
25V94.1Very high92Very high11 Ų1163.7 Ų63.77%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-134.6127.6173.7-172.70000109.2R13 I14 A17 V27 R61 V62 L64R13-V25 HydrophobicContact CB-CG1 4.01Å; I14-V25 HydrophobicContact CG1-CG1 4.5Å; A17-V25 HydrophobicContact CB-CB 4.46Å; A17-V25 HydrophobicContact CB-CG2 3.17Å; V25-V27 HydrophobicContact CG1-CG2 3.85Å; V25-R61 WeakPolarHBondContact O-CA 3.23Å; V25-V62 PolarHBondContact N-O 2.87Å; V25-V62 PolarHBondContact O-N 3.45Å; V25-L64 HydrophobicContact CG2-CD1 3.84Å; V25-L64 HydrophobicContact CG2-CD2 4.42Å; V25-L64 HydrophobicContact CG2-CG 4.09Å
26E93.4Very high91.9Very high83 Ų8361 Ų6139%0.38831%0.312SS..EExtended strand (participates in β ladder)trans-108.4126.9177.1-62.8-172.4170.500110.9M59 I60 R61E26-M59 HydrophobicContact CB-CE 3.87Å; E26-I60 WeakPolarHBondContact CA-O 3.22Å; E26-R61 HydrophobicContact CG-CB 4.35Å; E26-R61 HydrophobicContact CG-CG 4.2Å; E26-R61 IonicContact OE1-CZ 3.37Å; E26-R61 IonicContact OE1-NE 3.47Å; E26-R61 PolarHBondContact OE1-NE 3.46Å; E26-R61 IonicContact OE1-NH2 2.88Å; E26-R61 PolarHBondContact OE1-NH2 3.49Å
27V92.5Very high91.8Very high0 Ų056.9 Ų56.90%029%0.289CS..EExtended strand (participates in β ladder)trans-138.8142.7-178.3-1670000109.9F10 R13 V25 A29 I60F10-V27 HydrophobicContact CB-CG1 4.25Å; F10-V27 HydrophobicContact CD2-CB 3.82Å; F10-V27 HydrophobicContact CD2-CG1 3.82Å; F10-V27 HydrophobicContact CD2-CG2 3.79Å; F10-V27 HydrophobicContact CE2-CB 4.37Å; F10-V27 HydrophobicContact CE2-CG2 4.27Å; R13-V27 HydrophobicContact CB-CG2 4.22Å; V25-V27 HydrophobicContact CG1-CG2 3.85Å; V27-A29 PolarHBondContact O-N 2.99Å; V27-I60 PolarHBondContact N-O 2.78Å; V27-I60 PolarHBondContact O-N 3.12Å
28P92.2Very high91.7Very high41 Ų4160.9 Ų60.927%0.26631%0.306SS..EExtended strand (participates in β ladder)trans-54.5140.6175.8-27.334.6000112.3K33 M59P28-K33 WeakPolarHBondContact O-CE 3.4Å; P28-K33 PolarHBondContact O-NZ 3.15Å; P28-M59 HydrophobicContact CB-SD 4.33Å; P28-M59 HydrophobicContact CG-SD 4.13Å
29A90.1Very high91.6Very high2 Ų261.2 Ų61.22%0.01731%0.308CS..  trans-79149.5-174.100000113.5V27 Q57 G58 I60V27-A29 PolarHBondContact O-N 2.99Å; A29-Q57 WeakPolarHBondContact CB-O 3.45Å; A29-Q57 WeakPolarHBondContact O-CG 3.29Å; A29-Q57 PolarHBondContact O-NE2 2.95Å; A29-G58 WeakPolarHBondContact CB-O 3.47Å; A29-G58 PolarHBondContact N-O 3.26Å; A29-I60 HydrophobicContact CB-CD1 4.02Å; A29-I60 HydrophobicContact CB-CG1 3.53Å
30S90.6Very high91.6Very high44 Ų4456.1 Ų56.131%0.30828%0.283SS..  trans-156.4145173174.80000107.1I32 K33 R34S30-I32 VanDerWaalsContact C-N 3.33Å; S30-I32 PolarHBondContact O-N 3.12Å; S30-K33 CarbonylContact O-C 3.41Å; S30-K33 WeakPolarHBondContact O-CA 3.23Å; S30-K33 WeakPolarHBondContact O-CB 3.39Å; S30-K33 PolarHBondContact O-N 3.25Å; S30-R34 WeakPolarHBondContact O-CG 3.22Å; S30-R34 PolarHBondContact O-N 3.38Å
31K87.3Confident91.5Very high176 Ų17655.6 Ų55.677%0.76527%0.272SS*.Hα-helixtrans-45.5-55.7-178.3-62.4-174179-175.60112.1K33 R34 D35K31-K33 VanDerWaalsContact C-N 3.31Å; K31-K33 PolarHBondContact O-N 3.16Å; K31-R34 WeakPolarHBondContact O-CB 3Å; K31-R34 PolarHBondContact O-N 3.5Å; K31-D35 PolarHBondContact O-N 2.66Å
32I90.6Very high91.4Very high75 Ų7557.5 Ų57.539%0.38528%0.277SS..Hα-helixtrans-58.6-36.7176.8-65.7169.4000113.4I7 S30 I36 L112I7-I32 HydrophobicContact CD1-CD1 4.48Å; I7-I32 HydrophobicContact CD1-CG2 3.56Å; I7-I32 HydrophobicContact CG1-CG2 4.16Å; S30-I32 VanDerWaalsContact C-N 3.33Å; S30-I32 PolarHBondContact O-N 3.12Å; I32-I36 HydrophobicContact CG2-CD1 3.76Å; I32-I36 HydrophobicContact CG2-CG1 4.4Å; I32-I36 WeakPolarHBondContact O-CB 3.22Å; I32-I36 WeakPolarHBondContact O-CD1 3.41Å; I32-I36 WeakPolarHBondContact O-CG1 2.98Å; I32-I36 PolarHBondContact O-N 2.86Å; I32-L112 HydrophobicContact CB-CD1 4.43Å; I32-L112 HydrophobicContact CG2-CD1 4.01Å
33K92.8Very high91.1Very high8 Ų855.4 Ų55.44%0.03527%0.267CS..Hα-helixtrans-72.1-35.5178.8-70.2-173.4-83.6-178.80111.6F10 P28 S30 K31 A37 I60F10-K33 HydrophobicContact CB-CD 3.58Å; F10-K33 HydrophobicContact CB-CG 4.13Å; F10-K33 HydrophobicContact CD1-CB 4.41Å; F10-K33 HydrophobicContact CD1-CD 4.42Å; F10-K33 HydrophobicContact CD1-CG 4.12Å; F10-K33 HydrophobicContact CD2-CD 4.12Å; F10-K33 HydrophobicContact CG-CB 4.43Å; F10-K33 HydrophobicContact CG-CD 3.81Å; F10-K33 HydrophobicContact CG-CG 4.01Å; P28-K33 WeakPolarHBondContact O-CE 3.4Å; P28-K33 PolarHBondContact O-NZ 3.15Å; S30-K33 CarbonylContact O-C 3.41Å; S30-K33 WeakPolarHBondContact O-CA 3.23Å; S30-K33 WeakPolarHBondContact O-CB 3.39Å; S30-K33 PolarHBondContact O-N 3.25Å; K31-K33 VanDerWaalsContact C-N 3.31Å; K31-K33 PolarHBondContact O-N 3.16Å; K33-A37 VanDerWaalsContact O-CB 3.32Å; K33-A37 WeakPolarHBondContact O-CB 3.14Å; K33-A37 PolarHBondContact O-N 3.16Å; K33-I60 HydrophobicContact CB-CD1 3.7Å
34R90.3Very high90.9Very high78 Ų7851.2 Ų51.229%0.29425%0.25SC..Hα-helixtrans-61.6-52.4173.2-62.2-166.8-179.3177-1.8109.7S30 K31 I36 A37 E38 Y51 I60S30-R34 WeakPolarHBondContact O-CG 3.22Å; S30-R34 PolarHBondContact O-N 3.38Å; K31-R34 WeakPolarHBondContact O-CB 3Å; K31-R34 PolarHBondContact O-N 3.5Å; R34-I36 PolarHBondContact O-N 2.88Å; R34-A37 WeakPolarHBondContact O-CB 3.26Å; R34-A37 PolarHBondContact O-N 2.96Å; R34-E38 PolarHBondContact O-N 2.94Å; R34-Y51 VanDerWaalsContact CA-OH 3.31Å; R34-Y51 WeakPolarHBondContact CA-OH 3.47Å; R34-Y51 HydrophobicContact CB-CE1 3.73Å; R34-Y51 VanDerWaalsContact CB-OH 3.3Å; R34-Y51 WeakPolarHBondContact CB-OH 3.17Å; R34-Y51 HydrophobicContact CG-CD1 4.02Å; R34-Y51 HydrophobicContact CG-CE1 3.4Å; R34-Y51 PolarHBondContact O-OH 3.5Å; R34-Y51 VanDerWaalsContact O-OH 3.13Å; R34-I60 HydrophobicContact CB-CD1 4.5Å; R34-I60 HydrophobicContact CG-CD1 3.77Å; R34-I60 HydrophobicContact CG-CG1 4.34Å
35D90.2Very high90.7Very high61 Ų6150 Ų5033%0.32624%0.239SC..Hα-helixtrans-59-44.5178.6-55.8-15.6000112.1K31 A37 E38 I39 L112K31-D35 PolarHBondContact O-N 2.66Å; D35-A37 VanDerWaalsContact C-N 3.35Å; D35-A37 PolarHBondContact O-N 3.41Å; D35-E38 PolarHBondContact O-N 3.47Å; D35-I39 VanDerWaalsContact O-CG1 3.26Å; D35-I39 WeakPolarHBondContact O-CG1 3.44Å; D35-I39 PolarHBondContact O-N 3.4Å; D35-L112 HydrophobicContact CB-CB 4.49Å; D35-L112 HydrophobicContact CB-CD1 3.44Å; D35-L112 VanDerWaalsContact CB-CD1 3.44Å
36I93.8Very high90.6Very high12 Ų1249.7 Ų49.76%0.06224%0.237CC..Hα-helixtrans-61.3-43.4175.3-68.7165.7000110.9I7 F10 L11 I32 R34 I39 L40 I105 L112I7-I36 HydrophobicContact CG2-CD1 3.87Å; F10-I36 HydrophobicContact CE1-CB 4.22Å; F10-I36 HydrophobicContact CE1-CG2 3.83Å; L11-I36 HydrophobicContact CD2-CG2 4.41Å; I32-I36 HydrophobicContact CG2-CD1 3.76Å; I32-I36 HydrophobicContact CG2-CG1 4.4Å; I32-I36 WeakPolarHBondContact O-CB 3.22Å; I32-I36 WeakPolarHBondContact O-CD1 3.41Å; I32-I36 WeakPolarHBondContact O-CG1 2.98Å; I32-I36 PolarHBondContact O-N 2.86Å; R34-I36 PolarHBondContact O-N 2.88Å; I36-I39 PolarHBondContact O-N 3.47Å; I36-L40 HydrophobicContact CG2-CD1 4.17Å; I36-L40 HydrophobicContact CG2-CG 4.49Å; I36-L40 WeakPolarHBondContact O-CG 3.11Å; I36-L40 PolarHBondContact O-N 3.26Å; I36-I105 HydrophobicContact CG1-CG2 4.49Å; I36-I105 HydrophobicContact CG2-CD1 3.97Å; I36-L112 HydrophobicContact CG1-CD1 4.28Å
37A93.1Very high90.4Very high0 Ų053.3 Ų53.30%025%0.247CC..Hα-helixtrans-64.5-42.6179.400000111.5F10 K33 R34 D35 L40 K41 V49 I60F10-A37 HydrophobicContact CZ-CB 4.09Å; K33-A37 VanDerWaalsContact O-CB 3.32Å; K33-A37 WeakPolarHBondContact O-CB 3.14Å; K33-A37 PolarHBondContact O-N 3.16Å; R34-A37 WeakPolarHBondContact O-CB 3.26Å; R34-A37 PolarHBondContact O-N 2.96Å; D35-A37 VanDerWaalsContact C-N 3.35Å; D35-A37 PolarHBondContact O-N 3.41Å; A37-L40 PolarHBondContact O-N 2.67Å; A37-K41 PolarHBondContact O-N 2.82Å; A37-V49 HydrophobicContact CB-CB 4.44Å; A37-V49 HydrophobicContact CB-CG1 3.71Å; A37-V49 HydrophobicContact CB-CG2 3.87Å; A37-I60 HydrophobicContact CB-CG2 4.36Å
38E91.4Very high90.4Very high95 Ų9555.8 Ų55.844%0.44426%0.261SS..Hα-helixtrans-61.6-42.1174.4-83.7166.9-150.700112.4R34 D35 L40 K41 R42 Y51R34-E38 PolarHBondContact O-N 2.94Å; D35-E38 PolarHBondContact O-N 3.47Å; E38-L40 PolarHBondContact O-N 2.99Å; E38-K41 PolarHBondContact O-N 3.22Å; E38-R42 WeakPolarHBondContact O-CB 3.47Å; E38-R42 PolarHBondContact O-N 3.15Å; E38-Y51 WeakPolarHBondContact CG-OH 3.37Å; E38-Y51 WeakPolarHBondContact OE1-CE2 3.35Å; E38-Y51 PolarHBondContact OE1-OH 3.38Å
39I89.7Confident90.4Very high11 Ų1154.5 Ų54.56%0.05625%0.252CS..Hα-helixtrans-62-44.4174.3-68.8166.9000110.6D35 I36 K41 R42 E43 I103 I105 L112 T114D35-I39 VanDerWaalsContact O-CG1 3.26Å; D35-I39 WeakPolarHBondContact O-CG1 3.44Å; D35-I39 PolarHBondContact O-N 3.4Å; I36-I39 PolarHBondContact O-N 3.47Å; I39-K41 VanDerWaalsContact C-N 3.29Å; I39-K41 PolarHBondContact O-N 3.26Å; I39-R42 PolarHBondContact O-N 2.88Å; I39-E43 HydrophobicContact CG2-CG 4.44Å; I39-E43 WeakPolarHBondContact O-CG 3.36Å; I39-E43 PolarHBondContact O-N 2.8Å; I39-I103 HydrophobicContact CG2-CD1 4.18Å; I39-I105 HydrophobicContact CB-CD1 4.22Å; I39-I105 HydrophobicContact CD1-CG2 3.87Å; I39-I105 HydrophobicContact CG2-CD1 3.76Å; I39-I105 HydrophobicContact CG2-CG1 3.97Å; I39-L112 HydrophobicContact CD1-CB 3.67Å; I39-T114 HydrophobicContact CG2-CG2 3.66Å
40L91.7Very high90.5Very high7 Ų758.1 Ų58.14%0.03727%0.269CS..Hα-helixtrans-62.3-36.2176.9-71.2172.9000112.3I36 A37 E38 G44 F45 V46 I103I36-L40 HydrophobicContact CG2-CD1 4.17Å; I36-L40 HydrophobicContact CG2-CG 4.49Å; I36-L40 WeakPolarHBondContact O-CG 3.11Å; I36-L40 PolarHBondContact O-N 3.26Å; A37-L40 PolarHBondContact O-N 2.67Å; E38-L40 PolarHBondContact O-N 2.99Å; L40-G44 PolarHBondContact O-N 3.22Å; L40-F45 HydrophobicContact CB-CB 4.48Å; L40-F45 HydrophobicContact CD2-CB 4.1Å; L40-F45 HydrophobicContact CD2-CD2 4.11Å; L40-F45 HydrophobicContact CD2-CG 4.31Å; L40-F45 PolarHBondContact O-N 2.91Å; L40-V46 HydrophobicContact CB-CG1 4.27Å; L40-V46 HydrophobicContact CB-CG2 3.97Å; L40-V46 PolarHBondContact O-N 3Å; L40-I103 HydrophobicContact CD2-CD1 4.23Å
41K91.4Very high90.4Very high91 Ų9159.6 Ų59.640%0.39627%0.268SS..Hα-helixtrans-68.3-47.8175.4179.9-179.9171.9175.30110.8A37 E38 I39 E43 G44 V46 D48 V49A37-K41 PolarHBondContact O-N 2.82Å; E38-K41 PolarHBondContact O-N 3.22Å; I39-K41 VanDerWaalsContact C-N 3.29Å; I39-K41 PolarHBondContact O-N 3.26Å; K41-E43 VanDerWaalsContact C-N 3.33Å; K41-E43 PolarHBondContact O-N 3.26Å; K41-G44 WeakPolarHBondContact O-CA 3.46Å; K41-G44 PolarHBondContact O-N 2.79Å; K41-V46 HydrophobicContact CB-CG2 3.86Å; K41-D48 WeakPolarHBondContact CE-OD1 3.44Å; K41-D48 IonicContact NZ-OD1 3.4Å; K41-D48 PolarHBondContact NZ-OD1 3.42Å; K41-V49 HydrophobicContact CB-CG2 4.1Å; K41-V49 HydrophobicContact CD-CB 4.45Å; K41-V49 HydrophobicContact CD-CG2 4.42Å
42R86.6Confident90.4Very high136 Ų13653.8 Ų53.851%0.51325%0.245SC..Hα-helixtrans-59.8-40.9179.4-174.1178.265.3162.26.6112.4E38 I39 G44 E117E38-R42 WeakPolarHBondContact O-CB 3.47Å; E38-R42 PolarHBondContact O-N 3.15Å; I39-R42 PolarHBondContact O-N 2.88Å; R42-G44 VanDerWaalsContact C-N 3.26Å; R42-G44 PolarHBondContact O-N 3.1Å; R42-E117 IonicContact CZ-OE1 2.94Å; R42-E117 IonicContact CZ-OE2 2.78Å; R42-E117 IonicContact NH1-OE1 3.69Å; R42-E117 PolarHBondContact NH1-OE1 2.84Å; R42-E117 IonicContact NH2-OE1 3.2Å; R42-E117 PolarHBondContact NH2-OE1 3.01Å; R42-E117 IonicContact NH2-OE2 3.3Å; R42-E117 PolarHBondContact NH2-OE2 2.96Å
43E85.8Confident90Very high60 Ų6058.2 Ų58.228%0.2826%0.264SS..THydrogen-bonded Turntrans-80.9-3.5175.7-65.4-69.7137.500113.1I39 K41 F45 I103 T114 K116I39-E43 HydrophobicContact CG2-CG 4.44Å; I39-E43 WeakPolarHBondContact O-CG 3.36Å; I39-E43 PolarHBondContact O-N 2.8Å; K41-E43 VanDerWaalsContact C-N 3.33Å; K41-E43 PolarHBondContact O-N 3.26Å; E43-F45 HydrophobicContact CB-CD2 3.65Å; E43-F45 HydrophobicContact CB-CE2 3.64Å; E43-I103 HydrophobicContact CB-CD1 4.3Å; E43-I103 HydrophobicContact CG-CD1 4.03Å; E43-I103 HydrophobicContact CG-CG2 4.19Å; E43-T114 HydrophobicContact CG-CG2 4.25Å; E43-K116 IonicContact OE2-NZ 3.97Å; E43-K116 PolarHBondContact OE2-NZ 2.81Å
44G87Confident89.3Confident22 Ų2262.1 Ų62.123%0.22729%0.285CS..THydrogen-bonded Turntrans78.919.1172.300000115.9L40 K41 R42 K65L40-G44 PolarHBondContact O-N 3.22Å; K41-G44 WeakPolarHBondContact O-CA 3.46Å; K41-G44 PolarHBondContact O-N 2.79Å; R42-G44 VanDerWaalsContact C-N 3.26Å; R42-G44 PolarHBondContact O-N 3.1Å; G44-K65 VanDerWaalsContact O-CD 3.27Å; G44-K65 WeakPolarHBondContact O-CD 3.33Å; G44-K65 PolarHBondContact O-NZ 2.77Å
45F90Very high88.7Confident37 Ų3767 Ų6716%0.16232%0.317CS..SBendtrans-77.6-28.3174.5-70.3-74.6000113L40 E43 V73 I74 I103L40-F45 HydrophobicContact CB-CB 4.48Å; L40-F45 HydrophobicContact CD2-CB 4.1Å; L40-F45 HydrophobicContact CD2-CD2 4.11Å; L40-F45 HydrophobicContact CD2-CG 4.31Å; L40-F45 PolarHBondContact O-N 2.91Å; E43-F45 HydrophobicContact CB-CD2 3.65Å; E43-F45 HydrophobicContact CB-CE2 3.64Å; F45-V73 HydrophobicContact CD1-CG1 4.22Å; F45-I74 HydrophobicContact CB-CD1 4.32Å; F45-I74 HydrophobicContact CB-CG1 4.1Å; F45-I74 HydrophobicContact CD1-CG1 4.32Å; F45-I103 HydrophobicContact CD2-CD1 3.96Å; F45-I103 HydrophobicContact CD2-CG1 4.38Å; F45-I103 HydrophobicContact CE2-CB 4.32Å; F45-I103 HydrophobicContact CE2-CD1 3.61Å; F45-I103 HydrophobicContact CE2-CG1 3.65Å; F45-I103 HydrophobicContact CE2-CG2 3.78Å; F45-I103 HydrophobicContact CZ-CG1 4.19Å; F45-I103 HydrophobicContact CZ-CG2 4.16Å
46V91.8Very high88.2Confident4 Ų473.9 Ų73.92%0.02434%0.344CS..EExtended strand (participates in β ladder)trans-120.3153.8175-60.70000109.4L40 K41 V49 V62 F63 L64 I74L40-V46 HydrophobicContact CB-CG1 4.27Å; L40-V46 HydrophobicContact CB-CG2 3.97Å; L40-V46 PolarHBondContact O-N 3Å; K41-V46 HydrophobicContact CB-CG2 3.86Å; V46-V49 HydrophobicContact CG2-CG2 3.97Å; V46-V62 HydrophobicContact CB-CG1 3.99Å; V46-V62 HydrophobicContact CG1-CG1 3.64Å; V46-V62 HydrophobicContact CG2-CG1 4.37Å; V46-F63 WeakPolarHBondContact CB-O 3.36Å; V46-L64 HydrophobicContact CG1-CD2 4.28Å; V46-I74 HydrophobicContact CG1-CD1 4.19Å
47R89.5Confident87.6Confident159 Ų15978.9 Ų78.960%0.637%0.367SS*.EExtended strand (participates in β ladder)trans-73.7-49.9-177.8-176.9179.373.3-176.82.4110.4F63 K65R47-F63 HydrophobicContact CB-CB 4.13Å; R47-F63 PolarHBondContact N-O 3.44Å; R47-K65 HydrophobicContact CB-CB 4.37Å
48D92.5Very high87.3Confident53 Ų5379.1 Ų79.128%0.28337%0.369SS..EExtended strand (participates in β ladder)trans-155.8164.2-177.7-154.5-0000111.3K41 F63K41-D48 WeakPolarHBondContact CE-OD1 3.44Å; K41-D48 IonicContact NZ-OD1 3.4Å; K41-D48 PolarHBondContact NZ-OD1 3.42Å; D48-F63 HydrophobicContact CB-CB 4.27Å; D48-F63 HydrophobicContact CB-CD2 3.84Å; D48-F63 HydrophobicContact CB-CG 4.33Å; D48-F63 PolarHBondContact O-N 3.05Å
49V92.4Very high87.4Confident13 Ų1376.9 Ų76.98%0.07936%0.359CS..EExtended strand (participates in β ladder)trans-137.1117.8177.1179.90000107.7A37 K41 V46 Y51 I60 R61A37-V49 HydrophobicContact CB-CB 4.44Å; A37-V49 HydrophobicContact CB-CG1 3.71Å; A37-V49 HydrophobicContact CB-CG2 3.87Å; K41-V49 HydrophobicContact CB-CG2 4.1Å; K41-V49 HydrophobicContact CD-CB 4.45Å; K41-V49 HydrophobicContact CD-CG2 4.42Å; V46-V49 HydrophobicContact CG2-CG2 3.97Å; V49-Y51 HydrophobicContact CG1-CE1 3.94Å; V49-Y51 HydrophobicContact CG1-CE2 4.48Å; V49-I60 HydrophobicContact CG1-CG2 3.69Å; V49-R61 WeakPolarHBondContact CA-O 3.42Å
50E91.4Very high87.5Confident79 Ų7976.3 Ų76.337%0.36936%0.357SS..EExtended strand (participates in β ladder)trans-107.5143.4174.8-77174.217900110.3R61 F63E50-R61 HydrophobicContact CB-CB 4.25Å; E50-R61 PolarHBondContact N-O 3.04Å; E50-R61 PolarHBondContact O-N 3.23Å; E50-R61 IonicContact OE2-NH1 3.39Å; E50-F63 HydrophobicContact CB-CE2 4.14Å; E50-F63 HydrophobicContact CG-CE2 3.72Å; E50-F63 HydrophobicContact CG-CZ 4.45Å; E50-F63 WeakPolarHBondContact OE2-CE2 3.18Å; E50-F63 WeakPolarHBondContact OE2-CZ 3.34Å
51Y89.3Confident87.6Confident74 Ų7479.6 Ų79.629%0.2937%0.369SS..EExtended strand (participates in β ladder)trans-110.1118.5173.3-59.6-62.2000109.1R34 E38 V49 I60R34-Y51 VanDerWaalsContact CA-OH 3.31Å; R34-Y51 WeakPolarHBondContact CA-OH 3.47Å; R34-Y51 HydrophobicContact CB-CE1 3.73Å; R34-Y51 VanDerWaalsContact CB-OH 3.3Å; R34-Y51 WeakPolarHBondContact CB-OH 3.17Å; R34-Y51 HydrophobicContact CG-CD1 4.02Å; R34-Y51 HydrophobicContact CG-CE1 3.4Å; R34-Y51 PolarHBondContact O-OH 3.5Å; R34-Y51 VanDerWaalsContact O-OH 3.13Å; E38-Y51 WeakPolarHBondContact CG-OH 3.37Å; E38-Y51 WeakPolarHBondContact OE1-CE2 3.35Å; E38-Y51 PolarHBondContact OE1-OH 3.38Å; V49-Y51 HydrophobicContact CG1-CE1 3.94Å; V49-Y51 HydrophobicContact CG1-CE2 4.48Å; Y51-I60 HydrophobicContact CD1-CB 4.42Å; Y51-I60 HydrophobicContact CD1-CG1 3.89Å; Y51-I60 HydrophobicContact CD1-CG2 4.21Å; Y51-I60 HydrophobicContact CE1-CB 4.43Å; Y51-I60 HydrophobicContact CE1-CD1 4.17Å; Y51-I60 HydrophobicContact CE1-CG1 3.88Å; Y51-I60 HydrophobicContact CE1-CG2 3.9Å
52I88.3Confident87.8Confident55 Ų5575.3 Ų75.328%0.28235%0.35SS..EExtended strand (participates in β ladder)trans-100.3116.5174.5-57.7170.5000106.4G58 M59 R61I52-G58 CarbonylContact O-C 3.5Å; I52-G58 WeakPolarHBondContact O-CA 3.39Å; I52-M59 HydrophobicContact CB-CB 4.36Å; I52-M59 PolarHBondContact N-O 3.14Å; I52-M59 PolarHBondContact O-N 3.41Å; I52-R61 HydrophobicContact CD1-CB 4.49Å
53E81.2Confident88.2Confident168 Ų16870 Ų7079%0.78533%0.331SS*.  trans-82.1122.2175.6-63.4-169.2159.100109.3
54D77.2Confident88.5Confident89 Ų8967.4 Ų67.448%0.47632%0.319SS..  trans-116.7156.1170.4-65.8-39.4000107.8K56D54-K56 PolarHBondContact O-N 3.46Å
55D78.2Confident88.7Confident181 Ų18170.6 Ų70.697%0.96833%0.326SS*.SBendtrans-56.61.8178.3-63.1-39.1000115.6
56K79.6Confident88.8Confident205 Ų20570.9 Ų70.989%0.89133%0.327SS*.SBendtrans-118-100.3179.2-62.9179.9-177.1174.90111D54D54-K56 PolarHBondContact O-N 3.46Å
57Q81.5Confident88.5Confident118 Ų11872.4 Ų72.455%0.55134%0.343SS*.SBendtrans-107.7-13.3-172.9-176.516523.100112.4A29A29-Q57 WeakPolarHBondContact CB-O 3.45Å; A29-Q57 WeakPolarHBondContact O-CG 3.29Å; A29-Q57 PolarHBondContact O-NE2 2.95Å
58G87.8Confident88.1Confident4 Ų475.1 Ų75.14%0.04136%0.359CS..  trans67.5168.4-169.600000113.3A29 I52A29-G58 WeakPolarHBondContact CB-O 3.47Å; A29-G58 PolarHBondContact N-O 3.26Å; I52-G58 CarbonylContact O-C 3.5Å; I52-G58 WeakPolarHBondContact O-CA 3.39Å
59M92.7Very high87.7Confident48 Ų4878.7 Ų78.724%0.23638%0.378CS..EExtended strand (participates in β ladder)trans-119.8143179.5-65.4-69.4-76.600110.4E26 P28 I52E26-M59 HydrophobicContact CB-CE 3.87Å; P28-M59 HydrophobicContact CB-SD 4.33Å; P28-M59 HydrophobicContact CG-SD 4.13Å; I52-M59 HydrophobicContact CB-CB 4.36Å; I52-M59 PolarHBondContact N-O 3.14Å; I52-M59 PolarHBondContact O-N 3.41Å
60I92.6Very high87.2Confident0 Ų081.6 Ų81.60%039%0.393CS..EExtended strand (participates in β ladder)trans-101.8119.5169.8-52.7175.2000106.4E26 V27 A29 K33 R34 A37 V49 Y51 V62E26-I60 WeakPolarHBondContact CA-O 3.22Å; V27-I60 PolarHBondContact N-O 2.78Å; V27-I60 PolarHBondContact O-N 3.12Å; A29-I60 HydrophobicContact CB-CD1 4.02Å; A29-I60 HydrophobicContact CB-CG1 3.53Å; K33-I60 HydrophobicContact CB-CD1 3.7Å; R34-I60 HydrophobicContact CB-CD1 4.5Å; R34-I60 HydrophobicContact CG-CD1 3.77Å; R34-I60 HydrophobicContact CG-CG1 4.34Å; A37-I60 HydrophobicContact CB-CG2 4.36Å; V49-I60 HydrophobicContact CG1-CG2 3.69Å; Y51-I60 HydrophobicContact CD1-CB 4.42Å; Y51-I60 HydrophobicContact CD1-CG1 3.89Å; Y51-I60 HydrophobicContact CD1-CG2 4.21Å; Y51-I60 HydrophobicContact CE1-CB 4.43Å; Y51-I60 HydrophobicContact CE1-CD1 4.17Å; Y51-I60 HydrophobicContact CE1-CG1 3.88Å; Y51-I60 HydrophobicContact CE1-CG2 3.9Å; I60-V62 HydrophobicContact CG2-CG2 3.89Å
61R93.8Very high86.9Confident76 Ų7683.6 Ų83.629%0.28740%0.402SS..EExtended strand (participates in β ladder)trans-99.7112.9170.7-177.2-179.2-72.8161.9-4.4108.6V25 E26 V49 E50 I52 F63V25-R61 WeakPolarHBondContact O-CA 3.23Å; E26-R61 HydrophobicContact CG-CB 4.35Å; E26-R61 HydrophobicContact CG-CG 4.2Å; E26-R61 IonicContact OE1-CZ 3.37Å; E26-R61 IonicContact OE1-NE 3.47Å; E26-R61 PolarHBondContact OE1-NE 3.46Å; E26-R61 IonicContact OE1-NH2 2.88Å; E26-R61 PolarHBondContact OE1-NH2 3.49Å; V49-R61 WeakPolarHBondContact CA-O 3.42Å; E50-R61 HydrophobicContact CB-CB 4.25Å; E50-R61 PolarHBondContact N-O 3.04Å; E50-R61 PolarHBondContact O-N 3.23Å; E50-R61 IonicContact OE2-NH1 3.39Å; I52-R61 HydrophobicContact CD1-CB 4.49Å; R61-F63 HydrophobicContact CG-CE2 3.98Å; R61-F63 HydrophobicContact CG-CZ 4.05Å
62V94.5Very high86.8Confident1 Ų186.1 Ų86.11%0.00641%0.411CS..EExtended strand (participates in β ladder)trans-100.1122.6178.2-176.90000108.6F10 T24 V25 V46 I60 L64F10-V62 HydrophobicContact CE2-CG2 4.15Å; F10-V62 HydrophobicContact CZ-CG2 4.37Å; T24-V62 CarbonylContact C-O 3.47Å; T24-V62 WeakPolarHBondContact CA-O 3.36Å; V25-V62 PolarHBondContact N-O 2.87Å; V25-V62 PolarHBondContact O-N 3.45Å; V46-V62 HydrophobicContact CB-CG1 3.99Å; V46-V62 HydrophobicContact CG1-CG1 3.64Å; V46-V62 HydrophobicContact CG2-CG1 4.37Å; I60-V62 HydrophobicContact CG2-CG2 3.89Å; V62-L64 HydrophobicContact CG1-CD2 4.21Å
63F94.7Very high86.9Confident24 Ų2485.9 Ų85.911%0.10541%0.412CS..EExtended strand (participates in β ladder)trans-90.7114.9174.2-64.2-92.1000109.5D23 T24 V46 R47 D48 E50 R61D23-F63 CarbonylContact O-C 3.57Å; D23-F63 WeakPolarHBondContact O-CA 3.27Å; T24-F63 HydrophobicContact CG2-CD1 3.39Å; T24-F63 HydrophobicContact CG2-CE1 3.48Å; T24-F63 VanDerWaalsContact CG2-CE1 3.48Å; T24-F63 HydrophobicContact CG2-CG 4.28Å; T24-F63 HydrophobicContact CG2-CZ 4.41Å; V46-F63 WeakPolarHBondContact CB-O 3.36Å; R47-F63 HydrophobicContact CB-CB 4.13Å; R47-F63 PolarHBondContact N-O 3.44Å; D48-F63 HydrophobicContact CB-CB 4.27Å; D48-F63 HydrophobicContact CB-CD2 3.84Å; D48-F63 HydrophobicContact CB-CG 4.33Å; D48-F63 PolarHBondContact O-N 3.05Å; E50-F63 HydrophobicContact CB-CE2 4.14Å; E50-F63 HydrophobicContact CG-CE2 3.72Å; E50-F63 HydrophobicContact CG-CZ 4.45Å; E50-F63 WeakPolarHBondContact OE2-CE2 3.18Å; E50-F63 WeakPolarHBondContact OE2-CZ 3.34Å; R61-F63 HydrophobicContact CG-CE2 3.98Å; R61-F63 HydrophobicContact CG-CZ 4.05Å
64L93.5Very high87.3Confident6 Ų678.1 Ų78.13%0.03138%0.376CS..EExtended strand (participates in β ladder)trans-73.4151-179.7-60.9-174.1000110.7I14 A17 N18 H22 D23 V25 V46 V62 Y66I14-L64 HydrophobicContact CG2-CD2 3.7Å; A17-L64 HydrophobicContact CB-CD1 3.9Å; N18-L64 HydrophobicContact CB-CD1 3.9Å; H22-L64 WeakPolarHBondContact O-CD1 3.48Å; D23-L64 PolarHBondContact O-N 3.01Å; V25-L64 HydrophobicContact CG2-CD1 3.84Å; V25-L64 HydrophobicContact CG2-CD2 4.42Å; V25-L64 HydrophobicContact CG2-CG 4.09Å; V46-L64 HydrophobicContact CG1-CD2 4.28Å; V62-L64 HydrophobicContact CG1-CD2 4.21Å; L64-Y66 HydrophobicContact CB-CE2 3.95Å; L64-Y66 WeakPolarHBondContact CD1-OH 3.46Å
65K91.1Very high87.8Confident89 Ų8979.5 Ų79.539%0.38739%0.388SS..  trans-112.9130.9-177.8-174.1-177.8173.4-178.80109.5G44 R47 V73G44-K65 VanDerWaalsContact O-CD 3.27Å; G44-K65 WeakPolarHBondContact O-CD 3.33Å; G44-K65 PolarHBondContact O-NZ 2.77Å; R47-K65 HydrophobicContact CB-CB 4.37Å; K65-V73 HydrophobicContact CB-CG2 4.36Å; K65-V73 HydrophobicContact CD-CG2 4.36Å; K65-V73 HydrophobicContact CG-CG2 4.08Å; K65-V73 VanDerWaalsContact O-CG2 3.31Å; K65-V73 WeakPolarHBondContact O-CG2 3.17Å
66Y91.2Very high88.3Confident43 Ų4375.8 Ų75.817%0.16937%0.369CS..BIsolated β-bridgetrans-120.9149.4176.5-58.5-70.9000110.3K21 H22 L64 E71 R72K21-Y66 VanDerWaalsContact CA-OH 3.31Å; K21-Y66 WeakPolarHBondContact CA-OH 3.48Å; K21-Y66 HydrophobicContact CB-CE1 4.45Å; K21-Y66 HydrophobicContact CG-CE1 4.46Å; H22-Y66 PolarHBondContact N-OH 3.08Å; H22-Y66 PolarHBondContact O-OH 2.86Å; L64-Y66 HydrophobicContact CB-CE2 3.95Å; L64-Y66 WeakPolarHBondContact CD1-OH 3.46Å; Y66-E71 WeakPolarHBondContact CA-O 3.31Å; Y66-R72 HydrophobicContact CE1-CG 4.39Å
67G86.1Confident88.8Confident35 Ų3567.2 Ų67.236%0.36133%0.332SS..  trans-76.6-178.1177.900000113.2N69 D70 E71G67-N69 VanDerWaalsContact C-N 3.28Å; G67-N69 PolarHBondContact O-N 2.85Å; G67-D70 PolarHBondContact O-N 3.36Å; G67-D70 VanDerWaalsContact O-N 3.07Å; G67-E71 PolarHBondContact N-O 3.41Å
68K81.1Confident89.3Confident216 Ų21669.3 Ų69.394%0.93934%0.34SS*.THydrogen-bonded Turntrans-60.4-33.2-177.1-66.8-177.3178.4-179.40114
69N84.6Confident89.5Confident128 Ų12871 Ų7168%0.68435%0.345SS*.THydrogen-bonded Turntrans-101.227177.8-65-19.1000112.1G67 E71G67-N69 VanDerWaalsContact C-N 3.28Å; G67-N69 PolarHBondContact O-N 2.85Å; N69-E71 HydrophobicContact CB-CG 4.12Å; N69-E71 PolarHBondContact O-N 2.99Å
70D81.3Confident89.4Confident74 Ų7474.5 Ų74.540%0.39636%0.363SS..SBendtrans57.433.7-175.7-162.926.4000112.5K21 G67K21-D70 VanDerWaalsContact CD-OD2 3.28Å; K21-D70 WeakPolarHBondContact CD-OD2 3.49Å; K21-D70 WeakPolarHBondContact CE-O 3.43Å; K21-D70 WeakPolarHBondContact CE-OD2 3.28Å; K21-D70 PolarHBondContact NZ-O 3.37Å; K21-D70 IonicContact NZ-OD2 2.65Å; K21-D70 PolarHBondContact NZ-OD2 2.76Å; G67-D70 PolarHBondContact O-N 3.36Å; G67-D70 VanDerWaalsContact O-N 3.07Å
71E85.3Confident89.3Confident121 Ų12175.9 Ų75.957%0.56537%0.373SS*.  trans-78.4137175.4-72.6172.8-162.600109.8Y66 G67 N69 V73Y66-E71 WeakPolarHBondContact CA-O 3.31Å; G67-E71 PolarHBondContact N-O 3.41Å; N69-E71 HydrophobicContact CB-CG 4.12Å; N69-E71 PolarHBondContact O-N 2.99Å; E71-V73 PolarHBondContact O-N 3.42Å
72R87Confident89.1Confident127 Ų12778.4 Ų78.448%0.47939%0.386SS..BIsolated β-bridgetrans-73.2122.6179.1-61.9177.1-63.4-171.71109.9N18 Y66N18-R72 WeakPolarHBondContact O-CD 3.37Å; Y66-R72 HydrophobicContact CE1-CG 4.39Å
73V89Confident88.7Confident50 Ų5082 Ų8230%0.30341%0.409SS..SBendtrans-71.8-35.7174.2177.80000111F45 K65 E71F45-V73 HydrophobicContact CD1-CG1 4.22Å; K65-V73 HydrophobicContact CB-CG2 4.36Å; K65-V73 HydrophobicContact CD-CG2 4.36Å; K65-V73 HydrophobicContact CG-CG2 4.08Å; K65-V73 VanDerWaalsContact O-CG2 3.31Å; K65-V73 WeakPolarHBondContact O-CG2 3.17Å; E71-V73 PolarHBondContact O-N 3.42Å
74I90.8Very high88.2Confident5 Ų584.8 Ų84.83%0.02645%0.445CS..  trans-92.1112.6178.5-60.5175.1000108.9I14 N18 F45 V46 L77I14-I74 HydrophobicContact CG2-CD1 4.19Å; N18-I74 PolarHBondContact ND2-O 3.2Å; F45-I74 HydrophobicContact CB-CD1 4.32Å; F45-I74 HydrophobicContact CB-CG1 4.1Å; F45-I74 HydrophobicContact CD1-CG1 4.32Å; V46-I74 HydrophobicContact CG1-CD1 4.19Å; I74-L77 HydrophobicContact CD1-CD1 4.45Å; I74-L77 HydrophobicContact CG2-CD1 3.95Å; I74-L77 HydrophobicContact CG2-CD2 4.09Å; I74-L77 HydrophobicContact CG2-CG 3.61Å
75T86.9Confident87.8Confident118 Ų11890.8 Ų90.872%0.72448%0.476SS*.  trans-76.7-44.9176.8-46.60000111.7
76N88.8Confident87.7Confident104 Ų10492.5 Ų92.556%0.55648%0.48SS*.  trans-159.9157.9178.8-159.4-8.1000110.2R15R15-N76 WeakPolarHBondContact CD-OD1 3.37Å; R15-N76 PolarHBondContact NE-OD1 3.21Å
77L91.3Very high87.6Confident25 Ų2592.9 Ų92.913%0.13149%0.492CS..  trans-137122.6174.1-70.3171.4000108.4L11 I14 R15 I74L11-L77 HydrophobicContact CB-CB 4.41Å; L11-L77 HydrophobicContact CD2-CB 4.48Å; I14-L77 HydrophobicContact CB-CD1 3.93Å; I14-L77 HydrophobicContact CG2-CD1 3.6Å; R15-L77 PolarHBondContact NE-O 2.99Å; R15-L77 PolarHBondContact NH2-O 2.59Å; I74-L77 HydrophobicContact CD1-CD1 4.45Å; I74-L77 HydrophobicContact CG2-CD1 3.95Å; I74-L77 HydrophobicContact CG2-CD2 4.09Å; I74-L77 HydrophobicContact CG2-CG 3.61Å
78K91Very high87.7Confident162 Ų162101 Ų10170%0.70451%0.513SS*.  trans-136.2137.9-177.6-177.6179.4176.1-177.20110.9
79R92.2Very high87.8Confident40 Ų4094.4 Ų94.415%0.15149%0.491CS..  trans-81.2122.9170.6-170172.4173.2164.81.2110.2D5 L11 S81D5-R79 IonicContact OD1-CZ 3.15Å; D5-R79 IonicContact OD1-NH1 2.72Å; D5-R79 PolarHBondContact OD1-NH1 3.22Å; D5-R79 WeakPolarHBondContact OD2-CD 3.43Å; D5-R79 IonicContact OD2-CZ 3.16Å; D5-R79 IonicContact OD2-NE 3.2Å; D5-R79 PolarHBondContact OD2-NE 3.07Å; D5-R79 IonicContact OD2-NH1 2.84Å; D5-R79 PolarHBondContact OD2-NH1 3.23Å; L11-R79 HydrophobicContact CD1-CB 4.09Å; R79-S81 VanDerWaalsContact CZ-O 3.26Å; R79-S81 PolarHBondContact NE-O 3.31Å; R79-S81 PolarHBondContact NH2-O 3.14Å
80I90.8Very high87.3Confident121 Ų12193 Ų9362%0.62148%0.479SS*.  trans-92-53.8179.7-59.6174.4000111K82 A87I80-K82 PolarHBondContact O-N 3.36Å; I80-A87 HydrophobicContact CG2-CB 4.14Å
81S90Very high86.8Confident29 Ų2991 Ų9120%0.20347%0.472CS..SBendtrans-82.4105.2179.7-1760000110.8R79 R86 A87R79-S81 VanDerWaalsContact CZ-O 3.26Å; R79-S81 PolarHBondContact NE-O 3.31Å; R79-S81 PolarHBondContact NH2-O 3.14Å; S81-R86 WeakPolarHBondContact OG-CA 3.38Å; S81-R86 VanDerWaalsContact OG-CD 3.28Å; S81-R86 WeakPolarHBondContact OG-CD 3.43Å; S81-A87 PolarHBondContact OG-N 2.76Å
82K89.3Confident86Confident128 Ų12890.5 Ų90.556%0.55747%0.473SS*.BIsolated β-bridgetrans-88.4154.1-175.9-64177.5-176.5175.70110.8I80 G84 L85 R86I80-K82 PolarHBondContact O-N 3.36Å; K82-G84 VanDerWaalsContact C-N 3.27Å; K82-G84 PolarHBondContact O-N 3.02Å; K82-L85 PolarHBondContact N-O 2.72Å; K82-L85 CarbonylContact O-C 3.56Å; K82-L85 PolarHBondContact O-N 2.96Å; K82-L85 VanDerWaalsContact O-N 3.07Å; K82-R86 WeakPolarHBondContact O-CD 3.43Å
83P85.9Confident85.4Confident76 Ų7689.8 Ų89.849%0.49448%0.475SS..THydrogen-bonded Turntrans-53.5-39.9177.9-2835.3000114.4D5D5-P83 HydrophobicContact CB-CG 4.24Å; D5-P83 WeakPolarHBondContact OD2-CD 3.47Å
84G85Confident85Confident83 Ų8387.8 Ų87.886%0.85646%0.464SS*.THydrogen-bonded Turntrans-88.2-8.1177.600000115.6K82K82-G84 VanDerWaalsContact C-N 3.27Å; K82-G84 PolarHBondContact O-N 3.02Å
85L86.1Confident84.4Confident132 Ų13291.3 Ų91.369%0.69149%0.486SS*.BIsolated β-bridgetrans-149.894.9177.5-174.867.3000109.2K82K82-L85 PolarHBondContact N-O 2.72Å; K82-L85 CarbonylContact O-C 3.56Å; K82-L85 PolarHBondContact O-N 2.96Å; K82-L85 VanDerWaalsContact O-N 3.07Å
86R88.6Confident84.1Confident126 Ų12692.4 Ų92.448%0.47548%0.481SS..  trans-77.7127.3178.7-62.7-63.6-177.9142.95109.5S81 K82 Y88S81-R86 WeakPolarHBondContact OG-CA 3.38Å; S81-R86 VanDerWaalsContact OG-CD 3.28Å; S81-R86 WeakPolarHBondContact OG-CD 3.43Å; K82-R86 WeakPolarHBondContact O-CD 3.43Å; R86-Y88 HydrophobicContact CB-CD2 4.28Å; R86-Y88 HydrophobicContact CB-CE2 3.46Å; R86-Y88 VanDerWaalsContact CB-CE2 3.46Å
87A88.6Confident83.7Confident50 Ų5089.7 Ų89.741%0.41347%0.469SS..  trans-94.7123.3173.800000108.8I80 S81I80-A87 HydrophobicContact CG2-CB 4.14Å; S81-A87 PolarHBondContact OG-N 2.76Å
88Y88.4Confident83.2Confident205 Ų20594.1 Ų94.180%0.80449%0.492SS*.  trans-113.8141.9177.1-61.6-83.2000109R86R86-Y88 HydrophobicContact CB-CD2 4.28Å; R86-Y88 HydrophobicContact CB-CE2 3.46Å; R86-Y88 VanDerWaalsContact CB-CE2 3.46Å
89V82.2Confident82.5Confident78 Ų7893.8 Ų93.847%0.47350%0.497SS..  trans-140.9142179.4-169.80000107.8E93V89-E93 HydrophobicContact CG1-CB 3.82Å; V89-E93 WeakPolarHBondContact CG1-O 3.37Å
90K74.6Confident81.5Confident99 Ų9993.4 Ų93.443%0.4351%0.506SS..  trans-71.2159.2173.4-59.2178.5-176.9164.40110.8D92 E93 V94K90-D92 VanDerWaalsContact C-N 3.29Å; K90-D92 WeakPolarHBondContact CB-OD1 3.46Å; K90-D92 PolarHBondContact O-N 2.77Å; K90-E93 HydrophobicContact CB-CB 4.26Å; K90-E93 HydrophobicContact CB-CG 4.35Å; K90-E93 IonicContact NZ-OE1 3.98Å; K90-E93 PolarHBondContact O-N 2.83Å; K90-E93 VanDerWaalsContact O-N 3.15Å; K90-V94 VanDerWaalsContact O-CG2 3.29Å; K90-V94 WeakPolarHBondContact O-CG2 3.19Å; K90-V94 PolarHBondContact O-N 2.81Å
91A70.2Confident80.8Confident31 Ų3194.8 Ų94.826%0.25651%0.514SS..SBendtrans-60.3-37.6-176.300000113.2V94A91-V94 WeakPolarHBondContact O-CG2 3.45Å
92D69.3Low80.4Confident111 Ų11193.9 Ų93.959%0.59451%0.51SS*.SBendtrans-74.4-32.1176.156.6-40.6000113.1K90K90-D92 VanDerWaalsContact C-N 3.29Å; K90-D92 WeakPolarHBondContact CB-OD1 3.46Å; K90-D92 PolarHBondContact O-N 2.77Å
93E75.4Confident80.3Confident112 Ų11289.1 Ų89.152%0.52349%0.49SS..SBendtrans-91.13.9-176.4-66.3175.7-174.400113.7V89 K90 P95V89-E93 HydrophobicContact CG1-CB 3.82Å; V89-E93 WeakPolarHBondContact CG1-O 3.37Å; K90-E93 HydrophobicContact CB-CB 4.26Å; K90-E93 HydrophobicContact CB-CG 4.35Å; K90-E93 IonicContact NZ-OE1 3.98Å; K90-E93 PolarHBondContact O-N 2.83Å; K90-E93 VanDerWaalsContact O-N 3.15Å; E93-P95 WeakPolarHBondContact O-CD 3.38Å; E93-P95 VanDerWaalsContact O-N 3.1Å
94V80.6Confident80.4Confident9 Ų986.2 Ų86.26%0.05547%0.472CS..PPolyproline II helixtrans-57.7118.9-179.8179.20000110K90 A91 K96 I106 D115 A118 R119K90-V94 VanDerWaalsContact O-CG2 3.29Å; K90-V94 WeakPolarHBondContact O-CG2 3.19Å; K90-V94 PolarHBondContact O-N 2.81Å; A91-V94 WeakPolarHBondContact O-CG2 3.45Å; V94-K96 PolarHBondContact O-N 3.48Å; V94-I106 HydrophobicContact CB-CD1 4.24Å; V94-I106 HydrophobicContact CG1-CD1 3.44Å; V94-I106 VanDerWaalsContact CG1-CD1 3.44Å; V94-I106 HydrophobicContact CG2-CD1 3.66Å; V94-D115 HydrophobicContact CG1-CB 3.54Å; V94-A118 HydrophobicContact CG2-CB 4.4Å; V94-R119 HydrophobicContact CB-CG 4.38Å; V94-R119 PolarHBondContact O-NE 3.32Å; V94-R119 PolarHBondContact O-NH2 3.07Å
95P76.4Confident80.7Confident78 Ų7884.9 Ų84.951%0.50645%0.445SS..PPolyproline II helixtrans-66.8135.1-176.326.4-34.7000111.3E93 V97 R119E93-P95 WeakPolarHBondContact O-CD 3.38Å; E93-P95 VanDerWaalsContact O-N 3.1Å; P95-V97 PolarHBondContact O-N 2.97Å; P95-R119 PolarHBondContact O-NH2 2.84Å
96K80.9Confident80.8Confident141 Ų14180.7 Ų80.761%0.61342%0.423SS*.PPolyproline II helixtrans-72.1121.7173.2-68.8180-178.31790109.2V94 L98 R119V94-K96 PolarHBondContact O-N 3.48Å; K96-L98 PolarHBondContact O-N 2.71Å; K96-R119 VanDerWaalsContact CA-NH2 3.3Å
97V82.1Confident80.7Confident48 Ų4878.6 Ų78.629%0.29143%0.427SS..G310 helixtrans-79.5118.1177-177.30000108.7P95 N99 G100 L101 G102 A104P95-V97 PolarHBondContact O-N 2.97Å; V97-N99 VanDerWaalsContact C-N 3.27Å; V97-N99 PolarHBondContact O-N 3.07Å; V97-G100 PolarHBondContact O-N 2.87Å; V97-L101 PolarHBondContact O-N 2.99Å; V97-G102 PolarHBondContact O-N 3.46Å; V97-A104 HydrophobicContact CG2-CB 3.8Å
98L80.6Confident80.4Confident117 Ų11779.5 Ų79.561%0.61343%0.428SS*.G310 helixtrans49.546.4-178-59.6175.2000112.5K96 G100 L101K96-L98 PolarHBondContact O-N 2.71Å; L98-G100 PolarHBondContact O-N 3.05Å; L98-G100 VanDerWaalsContact O-N 3.12Å; L98-L101 HydrophobicContact CB-CB 4.08Å; L98-L101 WeakPolarHBondContact O-CB 3.34Å; L98-L101 PolarHBondContact O-N 2.98Å; L98-L101 VanDerWaalsContact O-N 3.14Å
99N75.7Confident79.8Confident155 Ų15575.8 Ų75.883%0.82943%0.432SS*.G310 helixtrans5527.5-176.9-70-24000115V97V97-N99 VanDerWaalsContact C-N 3.27Å; V97-N99 PolarHBondContact O-N 3.07Å
100G70.5Confident79.4Confident33 Ų3381 Ų8134%0.3445%0.451SS..G310 helixtrans98.4-1.417800000114.7V97 L98 G102V97-G100 PolarHBondContact O-N 2.87Å; L98-G100 PolarHBondContact O-N 3.05Å; L98-G100 VanDerWaalsContact O-N 3.12Å; G100-G102 VanDerWaalsContact C-N 3.3Å
101L75.7Confident79.8Confident150 Ų15077.8 Ų77.879%0.78545%0.446SS*.THydrogen-bonded Turntrans-72.7-25.5170.3-65.7172000112.3V97 L98V97-L101 PolarHBondContact O-N 2.99Å; L98-L101 HydrophobicContact CB-CB 4.08Å; L98-L101 WeakPolarHBondContact O-CB 3.34Å; L98-L101 PolarHBondContact O-N 2.98Å; L98-L101 VanDerWaalsContact O-N 3.14Å
102G82.6Confident80.6Confident10 Ų1078.2 Ų78.210%0.10344%0.443CS..SBendtrans-106.1168.5171.400000111.8V97 G100V97-G102 PolarHBondContact O-N 3.46Å; G100-G102 VanDerWaalsContact C-N 3.3Å
103I86.6Confident81.2Confident28 Ų2874.7 Ų74.714%0.14443%0.426CS..  trans-110.2147.4172.562.4168.5000110.1I39 L40 E43 F45 I105 D115I39-I103 HydrophobicContact CG2-CD1 4.18Å; L40-I103 HydrophobicContact CD2-CD1 4.23Å; E43-I103 HydrophobicContact CB-CD1 4.3Å; E43-I103 HydrophobicContact CG-CD1 4.03Å; E43-I103 HydrophobicContact CG-CG2 4.19Å; F45-I103 HydrophobicContact CD2-CD1 3.96Å; F45-I103 HydrophobicContact CD2-CG1 4.38Å; F45-I103 HydrophobicContact CE2-CB 4.32Å; F45-I103 HydrophobicContact CE2-CD1 3.61Å; F45-I103 HydrophobicContact CE2-CG1 3.65Å; F45-I103 HydrophobicContact CE2-CG2 3.78Å; F45-I103 HydrophobicContact CZ-CG1 4.19Å; F45-I103 HydrophobicContact CZ-CG2 4.16Å; I103-I105 HydrophobicContact CD1-CD1 4.14Å; I103-I105 HydrophobicContact CD1-CG1 4.01Å; I103-D115 WeakPolarHBondContact CA-OD1 3.48Å
104A89Confident81.7Confident14 Ų1469.4 Ų69.412%0.11640%0.401CS..  trans-104.6132.1160.200000108.3V97 T114 D115V97-A104 HydrophobicContact CG2-CB 3.8Å; A104-T114 CarbonylContact O-C 3.59Å; A104-T114 WeakPolarHBondContact O-CA 3.3Å; A104-D115 HydrophobicContact CB-CB 3.76Å; A104-D115 PolarHBondContact N-OD1 3.35Å; A104-D115 PolarHBondContact O-N 3Å
105I90.4Very high81.7Confident55 Ų5569 Ų6928%0.28240%0.399SS..EExtended strand (participates in β ladder)trans-101.5123.4173.2-56.8176.1000107.4I36 I39 I103 L112I36-I105 HydrophobicContact CG1-CG2 4.49Å; I36-I105 HydrophobicContact CG2-CD1 3.97Å; I39-I105 HydrophobicContact CB-CD1 4.22Å; I39-I105 HydrophobicContact CD1-CG2 3.87Å; I39-I105 HydrophobicContact CG2-CD1 3.76Å; I39-I105 HydrophobicContact CG2-CG1 3.97Å; I103-I105 HydrophobicContact CD1-CD1 4.14Å; I103-I105 HydrophobicContact CD1-CG1 4.01Å; I105-L112 HydrophobicContact CG2-CB 4.18Å; I105-L112 HydrophobicContact CG2-CD2 3.74Å
106I89.5Confident81.6Confident45 Ų4570.3 Ų70.323%0.23140%0.396CS..EExtended strand (participates in β ladder)trans-121139.9-171.9-51.2170.9000108.2V94 L112 V113 A118V94-I106 HydrophobicContact CB-CD1 4.24Å; V94-I106 HydrophobicContact CG1-CD1 3.44Å; V94-I106 VanDerWaalsContact CG1-CD1 3.44Å; V94-I106 HydrophobicContact CG2-CD1 3.66Å; I106-L112 CarbonylContact O-C 3.51Å; I106-L112 WeakPolarHBondContact O-CA 3.31Å; I106-V113 HydrophobicContact CB-CG2 4.38Å; I106-V113 PolarHBondContact N-O 3.13Å; I106-V113 PolarHBondContact O-N 2.86Å; I106-A118 HydrophobicContact CD1-CB 4.21Å
107S86.1Confident81.1Confident82 Ų8267.3 Ų67.357%0.57339%0.385SS*.EExtended strand (participates in β ladder)trans-90.2122.7171.356.50000110.3
108T81.7Confident80.4Confident68 Ų6866.1 Ų66.142%0.41738%0.38SS..EExtended strand (participates in β ladder)trans-110.8173.8168.8650000109.7E110 G111 V113T108-E110 PolarHBondContact O-N 2.97Å; T108-G111 PolarHBondContact N-O 2.94Å; T108-G111 PolarHBondContact O-N 3.38Å; T108-G111 PolarHBondContact OG1-O 3.04Å; T108-V113 HydrophobicContact CG2-CG2 3.66Å
109S76Confident79.9Confident127 Ų12763.2 Ų63.289%0.88836%0.361SS*.THydrogen-bonded Turntrans-60.9-26.8177.6-55.20000113.6
110E73.8Confident79.4Confident189 Ų18957.1 Ų57.188%0.88333%0.334SS*.THydrogen-bonded Turntrans-92.8-12.5-179.1-62-61.5138.400113.1T108T108-E110 PolarHBondContact O-N 2.97Å
111G82.2Confident79.2Confident31 Ų3157.5 Ų57.532%0.3233%0.33SS..EExtended strand (participates in β ladder)trans150-158179.800000114.8T108T108-G111 PolarHBondContact N-O 2.94Å; T108-G111 PolarHBondContact O-N 3.38Å; T108-G111 PolarHBondContact OG1-O 3.04Å
112L86.8Confident78.9Confident39 Ų3955.8 Ų55.820%0.20432%0.318CS..EExtended strand (participates in β ladder)trans-97.6127.4175.3-72.9143.7000109.8I32 D35 I36 I39 I105 I106I32-L112 HydrophobicContact CB-CD1 4.43Å; I32-L112 HydrophobicContact CG2-CD1 4.01Å; D35-L112 HydrophobicContact CB-CB 4.49Å; D35-L112 HydrophobicContact CB-CD1 3.44Å; D35-L112 VanDerWaalsContact CB-CD1 3.44Å; I36-L112 HydrophobicContact CG1-CD1 4.28Å; I39-L112 HydrophobicContact CD1-CB 3.67Å; I105-L112 HydrophobicContact CG2-CB 4.18Å; I105-L112 HydrophobicContact CG2-CD2 3.74Å; I106-L112 CarbonylContact O-C 3.51Å; I106-L112 WeakPolarHBondContact O-CA 3.31Å
113V83.8Confident78.5Confident37 Ų3757.3 Ų57.322%0.22433%0.325CS..EExtended strand (participates in β ladder)trans-126.9154.4-179.6-62.30000110.5I106 T108 E117 A118I106-V113 HydrophobicContact CB-CG2 4.38Å; I106-V113 PolarHBondContact N-O 3.13Å; I106-V113 PolarHBondContact O-N 2.86Å; T108-V113 HydrophobicContact CG2-CG2 3.66Å; V113-E117 HydrophobicContact CB-CB 4.43Å; V113-A118 HydrophobicContact CG2-CB 4.18Å
114T84.8Confident78Confident1 Ų158.8 Ų58.81%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-78.3159.6172.160.80000111.5I39 E43 A104 K116 E117 A118I39-T114 HydrophobicContact CG2-CG2 3.66Å; E43-T114 HydrophobicContact CG-CG2 4.25Å; A104-T114 CarbonylContact O-C 3.59Å; A104-T114 WeakPolarHBondContact O-CA 3.3Å; T114-K116 PolarHBondContact O-N 3.25Å; T114-E117 PolarHBondContact N-OE2 2.78Å; T114-E117 PolarHBondContact O-N 3.48Å; T114-E117 WeakPolarHBondContact OG1-CB 3.39Å; T114-E117 VanDerWaalsContact OG1-CD 3.27Å; T114-E117 VanDerWaalsContact OG1-CG 3.24Å; T114-E117 WeakPolarHBondContact OG1-CG 3.44Å; T114-E117 PolarHBondContact OG1-N 2.9Å; T114-E117 PolarHBondContact OG1-OE2 2.9Å; T114-A118 WeakPolarHBondContact O-CB 3.32Å; T114-A118 PolarHBondContact O-N 3.45Å
115D80.9Confident77.2Confident1 Ų162.1 Ų62.11%0.00535%0.349CS..Hα-helixtrans-62.2-26.8174.367-58.7000113.1V94 I103 A104 R119V94-D115 HydrophobicContact CG1-CB 3.54Å; I103-D115 WeakPolarHBondContact CA-OD1 3.48Å; A104-D115 HydrophobicContact CB-CB 3.76Å; A104-D115 PolarHBondContact N-OD1 3.35Å; A104-D115 PolarHBondContact O-N 3Å; D115-R119 WeakPolarHBondContact O-CG 3.32Å; D115-R119 PolarHBondContact O-N 3.17Å; D115-R119 PolarHBondContact O-NH1 3.03Å; D115-R119 IonicContact OD2-CZ 2.64Å; D115-R119 IonicContact OD2-NH1 2.72Å; D115-R119 PolarHBondContact OD2-NH1 3.46Å; D115-R119 IonicContact OD2-NH2 2.67Å; D115-R119 PolarHBondContact OD2-NH2 3.25Å; D115-R119 VanDerWaalsContact OD2-NH2 3.1Å
116K73.9Confident76.4Confident105 Ų10567.5 Ų67.546%0.45737%0.37SS..Hα-helixtrans-70.8-48174.3-63.6176-171.2161.70111.2E43 T114 A118 R119 G120E43-K116 IonicContact OE2-NZ 3.97Å; E43-K116 PolarHBondContact OE2-NZ 2.81Å; T114-K116 PolarHBondContact O-N 3.25Å; K116-A118 VanDerWaalsContact C-N 3.35Å; K116-R119 PolarHBondContact O-N 3.28Å; K116-G120 PolarHBondContact O-N 3.2Å
117E70.1Confident75.7Confident78 Ų7868 Ų6836%0.36439%0.386SS..Hα-helixtrans-63.7-41.6176.9-71.8163.7146.500111.1R42 V113 T114 R119 G120R42-E117 IonicContact CZ-OE1 2.94Å; R42-E117 IonicContact CZ-OE2 2.78Å; R42-E117 IonicContact NH1-OE1 3.69Å; R42-E117 PolarHBondContact NH1-OE1 2.84Å; R42-E117 IonicContact NH2-OE1 3.2Å; R42-E117 PolarHBondContact NH2-OE1 3.01Å; R42-E117 IonicContact NH2-OE2 3.3Å; R42-E117 PolarHBondContact NH2-OE2 2.96Å; V113-E117 HydrophobicContact CB-CB 4.43Å; T114-E117 PolarHBondContact N-OE2 2.78Å; T114-E117 PolarHBondContact O-N 3.48Å; T114-E117 WeakPolarHBondContact OG1-CB 3.39Å; T114-E117 VanDerWaalsContact OG1-CD 3.27Å; T114-E117 VanDerWaalsContact OG1-CG 3.24Å; T114-E117 WeakPolarHBondContact OG1-CG 3.44Å; T114-E117 PolarHBondContact OG1-N 2.9Å; T114-E117 PolarHBondContact OG1-OE2 2.9Å; E117-R119 PolarHBondContact O-N 3.22Å; E117-G120 PolarHBondContact O-N 3.17Å
118A68.8Low75.4Confident23 Ų2367.7 Ų67.719%0.1938%0.378CS..Hα-helixtrans-64.1-37.9179.800000113.3V94 I106 V113 T114 K116 G120V94-A118 HydrophobicContact CG2-CB 4.4Å; I106-A118 HydrophobicContact CD1-CB 4.21Å; V113-A118 HydrophobicContact CG2-CB 4.18Å; T114-A118 WeakPolarHBondContact O-CB 3.32Å; T114-A118 PolarHBondContact O-N 3.45Å; K116-A118 VanDerWaalsContact C-N 3.35Å; A118-G120 VanDerWaalsContact C-N 3.32Å
119R68.3Low75.4Confident57 Ų5768.8 Ų68.822%0.21538%0.379CS..Hα-helixtrans-76.9-17.7175.5-71.6-174.1-153.298.84.3113.6V94 P95 K96 D115 K116 E117 V121V94-R119 HydrophobicContact CB-CG 4.38Å; V94-R119 PolarHBondContact O-NE 3.32Å; V94-R119 PolarHBondContact O-NH2 3.07Å; P95-R119 PolarHBondContact O-NH2 2.84Å; K96-R119 VanDerWaalsContact CA-NH2 3.3Å; D115-R119 WeakPolarHBondContact O-CG 3.32Å; D115-R119 PolarHBondContact O-N 3.17Å; D115-R119 PolarHBondContact O-NH1 3.03Å; D115-R119 IonicContact OD2-CZ 2.64Å; D115-R119 IonicContact OD2-NH1 2.72Å; D115-R119 PolarHBondContact OD2-NH1 3.46Å; D115-R119 IonicContact OD2-NH2 2.67Å; D115-R119 PolarHBondContact OD2-NH2 3.25Å; D115-R119 VanDerWaalsContact OD2-NH2 3.1Å; K116-R119 PolarHBondContact O-N 3.28Å; E117-R119 PolarHBondContact O-N 3.22Å; R119-V121 PolarHBondContact O-N 3.48Å; R119-V121 VanDerWaalsContact O-N 3.17Å
120G65.8Low75.9Confident26 Ų2662.9 Ų62.927%0.26834%0.337SS..SBendtrans-64.4-23.8-167.200000114.2K116 E117 A118 G134K116-G120 PolarHBondContact O-N 3.2Å; E117-G120 PolarHBondContact O-N 3.17Å; A118-G120 VanDerWaalsContact C-N 3.32Å; G120-G134 WeakPolarHBondContact O-CA 3.26Å
121V65.6Low76.3Confident42 Ų4255.1 Ų55.126%0.25530%0.303SS..  trans-100.3101.7-176.9-173.70000110.7R119 V123 V132 K133 V182 V185R119-V121 PolarHBondContact O-N 3.48Å; R119-V121 VanDerWaalsContact O-N 3.17Å; V121-V123 HydrophobicContact CG1-CG2 4.47Å; V121-V132 HydrophobicContact CG1-CG1 3.97Å; V121-K133 CarbonylContact C-O 3.55Å; V121-K133 VanDerWaalsContact CA-O 3.25Å; V121-K133 WeakPolarHBondContact CA-O 3.43Å; V121-V182 HydrophobicContact CG1-CG1 4.24Å; V121-V185 HydrophobicContact CG1-CG2 4.44Å
122E70.9Confident76.5Confident114 Ų11453.6 Ų53.653%0.53329%0.287SS..EExtended strand (participates in β ladder)trans-99.3130.1172.8-68.4-177.4168.800109.9V132 K133E122-V132 CarbonylContact O-C 3.57Å; E122-V132 WeakPolarHBondContact O-CA 3.24Å; E122-K133 HydrophobicContact CB-CB 4.36Å; E122-K133 PolarHBondContact N-O 3.07Å; E122-K133 PolarHBondContact O-N 2.92Å
123V74.7Confident76.3Confident41 Ų4156 Ų5625%0.24830%0.296CS..EExtended strand (participates in β ladder)trans-112.4116.6175.2-177.30000107.9V121 V130 V132 M149 I151 F178V121-V123 HydrophobicContact CG1-CG2 4.47Å; V123-V130 HydrophobicContact CG1-CG1 4.03Å; V123-V132 HydrophobicContact CG1-CG2 4.47Å; V123-V132 HydrophobicContact CG2-CG1 4.31Å; V123-V132 HydrophobicContact CG2-CG2 4.4Å; V123-M149 HydrophobicContact CG1-CE 3.86Å; V123-I151 HydrophobicContact CG1-CD1 3.93Å; V123-F178 HydrophobicContact CG1-CE2 3.73Å; V123-F178 HydrophobicContact CG1-CZ 3.84Å; V123-F178 HydrophobicContact CG2-CE2 4.37Å; V123-F178 HydrophobicContact CG2-CZ 3.91Å
124T75Confident76.2Confident59 Ų5955 Ų5536%0.36229%0.293SS..EExtended strand (participates in β ladder)trans-113.1134175.555.90000109.4V130 T131T124-V130 WeakPolarHBondContact O-CA 3.28Å; T124-T131 PolarHBondContact N-O 3.02Å; T124-T131 PolarHBondContact O-N 3.41Å; T124-T131 WeakPolarHBondContact OG1-CB 3.47Å; T124-T131 PolarHBondContact OG1-O 3.2Å
125Q71.7Confident75.9Confident84 Ų8459.5 Ų59.539%0.39332%0.322SS..EExtended strand (participates in β ladder)trans-117.3124.6178.1-176.5-178.83.400109.6G127 V130 I151Q125-G127 WeakPolarHBondContact CG-O 3.39Å; Q125-G127 PolarHBondContact NE2-O 2.85Å; Q125-V130 HydrophobicContact CG-CG2 4.26Å; Q125-I151 HydrophobicContact CB-CD1 4.08Å
126K73.7Confident75.9Confident168 Ų16865.4 Ų65.473%0.7335%0.348SS*.EExtended strand (participates in β ladder)trans-119.895.5170.4-69.2-177.2-178176.40108.4N128 E129K126-N128 PolarHBondContact O-N 2.83Å; K126-N128 VanDerWaalsContact O-N 3.14Å; K126-E129 PolarHBondContact N-O 3.21Å; K126-E129 PolarHBondContact O-N 3.11Å
127G75.2Confident76.3Confident56 Ų5662 Ų6258%0.57734%0.343SS*.THydrogen-bonded Turntrans61.2-115.6-173.500000111.2Q125Q125-G127 WeakPolarHBondContact CG-O 3.39Å; Q125-G127 PolarHBondContact NE2-O 2.85Å
128N79.1Confident77Confident76 Ų7664 Ų6441%0.40635%0.353SS..THydrogen-bonded Turntrans-95.2-6.4178.1-65.5-2.9000113.5K126 T142 F143 S145K126-N128 PolarHBondContact O-N 2.83Å; K126-N128 VanDerWaalsContact O-N 3.14Å; N128-T142 HydrophobicContact CB-CG2 4.19Å; N128-T142 WeakPolarHBondContact O-CA 3.32Å; N128-F143 PolarHBondContact O-N 3.03Å; N128-S145 WeakPolarHBondContact ND2-CA 3.43Å; N128-S145 WeakPolarHBondContact ND2-CB 3.33Å
129E83.1Confident77.9Confident91 Ų9164 Ų6443%0.42535%0.349SS..EExtended strand (participates in β ladder)trans-91.1125.1177.2-169.1172.7-152.500109.3K126 T140K126-E129 PolarHBondContact N-O 3.21Å; K126-E129 PolarHBondContact O-N 3.11Å; E129-T140 HydrophobicContact CG-CG2 3.52Å; E129-T140 WeakPolarHBondContact OE1-CG2 3.43Å
130V84.9Confident78.8Confident2 Ų264.7 Ų64.71%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-116.7126.3180176.80000107.9V123 T124 Q125 V132 T140 R141 F143 M149 F178V123-V130 HydrophobicContact CG1-CG1 4.03Å; T124-V130 WeakPolarHBondContact O-CA 3.28Å; Q125-V130 HydrophobicContact CG-CG2 4.26Å; V130-V132 HydrophobicContact CG1-CG2 4.1Å; V130-T140 WeakPolarHBondContact O-CA 3.4Å; V130-R141 PolarHBondContact N-O 3.01Å; V130-R141 PolarHBondContact O-N 2.88Å; V130-F143 HydrophobicContact CB-CD2 3.93Å; V130-F143 HydrophobicContact CB-CE2 3.64Å; V130-F143 HydrophobicContact CG1-CE2 4.21Å; V130-F143 HydrophobicContact CG2-CD2 3.54Å; V130-F143 HydrophobicContact CG2-CE2 3.68Å; V130-M149 HydrophobicContact CG1-CE 4.04Å; V130-M149 HydrophobicContact CG1-SD 4.42Å; V130-M149 HydrophobicContact CG2-CE 4.28Å; V130-M149 HydrophobicContact CG2-SD 3.59Å; V130-M149 VanDerWaalsContact CG2-SD 3.59Å; V130-F178 HydrophobicContact CG1-CD2 4.05Å; V130-F178 HydrophobicContact CG1-CE2 3.8Å
131T84Confident79.8Confident26 Ų2667 Ų6716%0.1636%0.36CS..EExtended strand (participates in β ladder)trans-112.2121174.1-59.40000108.3T124 K133 L139 T140T124-T131 PolarHBondContact N-O 3.02Å; T124-T131 PolarHBondContact O-N 3.41Å; T124-T131 WeakPolarHBondContact OG1-CB 3.47Å; T124-T131 PolarHBondContact OG1-O 3.2Å; T131-K133 HydrophobicContact CG2-CG 4.28Å; T131-L139 CarbonylContact C-O 3.57Å; T131-L139 WeakPolarHBondContact CA-O 3.4Å; T131-T140 WeakPolarHBondContact CG2-OG1 3.49Å; T131-T140 WeakPolarHBondContact OG1-CG2 3.4Å; T131-T140 PolarHBondContact OG1-OG1 2.89Å
132V85.3Confident80.8Confident0 Ų069.5 Ų69.50%038%0.376CS..EExtended strand (participates in β ladder)trans-107.8120.5175.2-173.50000107.5V121 E122 V123 V130 E138 L139 F178 M181 V182 V185V121-V132 HydrophobicContact CG1-CG1 3.97Å; E122-V132 CarbonylContact O-C 3.57Å; E122-V132 WeakPolarHBondContact O-CA 3.24Å; V123-V132 HydrophobicContact CG1-CG2 4.47Å; V123-V132 HydrophobicContact CG2-CG1 4.31Å; V123-V132 HydrophobicContact CG2-CG2 4.4Å; V130-V132 HydrophobicContact CG1-CG2 4.1Å; V132-E138 WeakPolarHBondContact O-CA 3.25Å; V132-L139 PolarHBondContact N-O 3.44Å; V132-L139 PolarHBondContact O-N 2.83Å; V132-F178 HydrophobicContact CG2-CD2 4.31Å; V132-F178 HydrophobicContact CG2-CE2 3.75Å; V132-M181 HydrophobicContact CB-CB 4.29Å; V132-M181 HydrophobicContact CB-CE 4.36Å; V132-M181 HydrophobicContact CG2-CB 4.01Å; V132-M181 HydrophobicContact CG2-CE 3.89Å; V132-V182 HydrophobicContact CG1-CG2 4.07Å; V132-V185 HydrophobicContact CG1-CG2 3.68Å
133K82.2Confident81.4Confident89 Ų8965.2 Ų65.239%0.38736%0.356SS..EExtended strand (participates in β ladder)trans-104.8139.3175.5-63.4-174173.5-175.20109.2V121 E122 T131 E138V121-K133 CarbonylContact C-O 3.55Å; V121-K133 VanDerWaalsContact CA-O 3.25Å; V121-K133 WeakPolarHBondContact CA-O 3.43Å; E122-K133 HydrophobicContact CB-CB 4.36Å; E122-K133 PolarHBondContact N-O 3.07Å; E122-K133 PolarHBondContact O-N 2.92Å; T131-K133 HydrophobicContact CG2-CG 4.28Å; K133-E138 WeakPolarHBondContact CE-OE2 3.4Å; K133-E138 HydrophobicContact CG-CB 4.01Å
134G81.5Confident81.7Confident16 Ų1665.5 Ų65.517%0.16536%0.359CS..EExtended strand (participates in β ladder)trans-151.8179.617500000112.7G120 K136 G137 V185G120-G134 WeakPolarHBondContact O-CA 3.26Å; G134-K136 PolarHBondContact O-N 3.12Å; G134-K136 VanDerWaalsContact O-N 3.15Å; G134-G137 PolarHBondContact N-O 3.5Å; G134-G137 PolarHBondContact O-N 2.76Å; G134-G137 VanDerWaalsContact O-N 3.15Å; G134-G137 VanDerWaalsContact O-O 3.11Å; G134-V185 CarbonylContact C-O 3.58Å
135P78.6Confident81.8Confident95 Ų9566.6 Ų66.662%0.61737%0.37SS*.THydrogen-bonded Turntrans-55.4-31.5-179.7-2734.1000114.6V185P135-V185 WeakPolarHBondContact CD-O 3.25Å
136K82.3Confident82.2Confident125 Ų12565.6 Ų65.654%0.54337%0.367SS..THydrogen-bonded Turntrans-942.7-177-60.3-165176.3-161.70114.6G134 V185 S186 E187G134-K136 PolarHBondContact O-N 3.12Å; G134-K136 VanDerWaalsContact O-N 3.15Å; K136-V185 WeakPolarHBondContact CB-O 3.42Å; K136-V185 PolarHBondContact N-O 3.19Å; K136-S186 WeakPolarHBondContact CE-O 3.26Å; K136-E187 VanDerWaalsContact CE-O 3.26Å; K136-E187 WeakPolarHBondContact CE-O 3.5Å; K136-E187 PolarHBondContact NZ-O 2.92Å
137G82.3Confident82.7Confident34 Ų3458.3 Ų58.335%0.35134%0.335SS..EExtended strand (participates in β ladder)trans134.9-169.7177.800000113G134 V185G134-G137 PolarHBondContact N-O 3.5Å; G134-G137 PolarHBondContact O-N 2.76Å; G134-G137 VanDerWaalsContact O-N 3.15Å; G134-G137 VanDerWaalsContact O-O 3.11Å; G137-V185 WeakPolarHBondContact O-CG1 3.46Å
138E85Confident83Confident121 Ų12162.8 Ų62.857%0.56534%0.339SS*.EExtended strand (participates in β ladder)trans-115.8143.6176.263.2-176.1-172.700110.8V132 K133V132-E138 WeakPolarHBondContact O-CA 3.25Å; K133-E138 WeakPolarHBondContact CE-OE2 3.4Å; K133-E138 HydrophobicContact CG-CB 4.01Å
139L86.9Confident83Confident23 Ų2360 Ų6012%0.1232%0.324CS..EExtended strand (participates in β ladder)trans-126.8129.1174-67.6175.3000108.5T131 V132 M181 V185 N243T131-L139 CarbonylContact C-O 3.57Å; T131-L139 WeakPolarHBondContact CA-O 3.4Å; V132-L139 PolarHBondContact N-O 3.44Å; V132-L139 PolarHBondContact O-N 2.83Å; L139-M181 HydrophobicContact CB-CB 4.46Å; L139-M181 HydrophobicContact CB-CE 3.83Å; L139-M181 HydrophobicContact CB-CG 4.3Å; L139-M181 HydrophobicContact CD1-CB 4.19Å; L139-M181 HydrophobicContact CD1-CG 4.26Å; L139-M181 WeakPolarHBondContact O-CE 3.46Å; L139-V185 HydrophobicContact CB-CG1 4.29Å; L139-V185 HydrophobicContact CD1-CG1 3.9Å; L139-V185 HydrophobicContact CG-CG1 3.85Å; L139-N243 HydrophobicContact CD2-CB 3.9Å
140T87.7Confident82.9Confident71 Ų7158.8 Ų58.844%0.43632%0.32SS..EExtended strand (participates in β ladder)trans-116.6136.1175.5-59.80000109.3E129 V130 T131E129-T140 HydrophobicContact CG-CG2 3.52Å; E129-T140 WeakPolarHBondContact OE1-CG2 3.43Å; V130-T140 WeakPolarHBondContact O-CA 3.4Å; T131-T140 WeakPolarHBondContact CG2-OG1 3.49Å; T131-T140 WeakPolarHBondContact OG1-CG2 3.4Å; T131-T140 PolarHBondContact OG1-OG1 2.89Å
141R86.1Confident82.5Confident73 Ų7362 Ų6228%0.27534%0.337SS..EExtended strand (participates in β ladder)trans-149.6143.1176.6-166176.9-170.9147.16.7111.4V130 N177 M181 E245V130-R141 PolarHBondContact N-O 3.01Å; V130-R141 PolarHBondContact O-N 2.88Å; R141-N177 VanDerWaalsContact NH1-CG 3.34Å; R141-N177 PolarHBondContact NH2-ND2 3.22Å; R141-M181 HydrophobicContact CB-CE 3.89Å; R141-M181 HydrophobicContact CB-SD 3.8Å; R141-E245 IonicContact CZ-OE1 4Å; R141-E245 IonicContact CZ-OE2 2.59Å; R141-E245 IonicContact NH1-OE1 3.12Å; R141-E245 PolarHBondContact NH1-OE1 2.97Å; R141-E245 IonicContact NH1-OE2 2.74Å; R141-E245 IonicContact NH2-OE1 3.11Å; R141-E245 PolarHBondContact NH2-OE1 2.89Å; R141-E245 IonicContact NH2-OE2 2.67Å
142T86.8Confident81.8Confident96 Ų9666.9 Ų66.959%0.58936%0.358SS*.EExtended strand (participates in β ladder)trans-90.6128.2170.3-46.10000110.4N128N128-T142 HydrophobicContact CB-CG2 4.19Å; N128-T142 WeakPolarHBondContact O-CA 3.32Å
143F84Confident80.8Confident24 Ų2468.5 Ų68.511%0.10538%0.375CS..PPolyproline II helixtrans-100.6163.6175-67.2-72000111.8N128 V130 T174 N177 F178 M181N128-F143 PolarHBondContact O-N 3.03Å; V130-F143 HydrophobicContact CB-CD2 3.93Å; V130-F143 HydrophobicContact CB-CE2 3.64Å; V130-F143 HydrophobicContact CG1-CE2 4.21Å; V130-F143 HydrophobicContact CG2-CD2 3.54Å; V130-F143 HydrophobicContact CG2-CE2 3.68Å; F143-T174 HydrophobicContact CB-CG2 4.44Å; F143-T174 HydrophobicContact CD1-CG2 3.68Å; F143-T174 HydrophobicContact CE1-CG2 4.09Å; F143-T174 HydrophobicContact CG-CG2 4.11Å; F143-N177 HydrophobicContact CE1-CB 3.94Å; F143-F178 HydrophobicContact CE2-CD2 4.38Å; F143-F178 HydrophobicContact CZ-CB 3.95Å; F143-F178 HydrophobicContact CZ-CD2 4.41Å; F143-M181 HydrophobicContact CE2-SD 4.38Å; F143-M181 HydrophobicContact CZ-SD 3.93Å
144S79.7Confident79.9Confident47 Ų4768.4 Ų68.433%0.32939%0.385SS..PPolyproline II helixtrans-64.8144175.1-167.70000110.9D146S144-D146 PolarHBondContact O-N 2.69Å; S144-D146 PolarHBondContact OG-OD2 2.82Å
145S77.1Confident79.4Confident82 Ų8273.8 Ų73.857%0.57341%0.406SS*.THydrogen-bonded Turntrans-63-19.5175.744.10000114N128 I147N128-S145 WeakPolarHBondContact ND2-CA 3.43Å; N128-S145 WeakPolarHBondContact ND2-CB 3.33Å; S145-I147 PolarHBondContact O-N 3.38Å
146D82Confident79.4Confident63 Ų6371 Ų7134%0.33739%0.387SS..THydrogen-bonded Turntrans-73.7-17.7-170.3-47.1-44.6000113S144 P161 M167S144-D146 PolarHBondContact O-N 2.69Å; S144-D146 PolarHBondContact OG-OD2 2.82Å; D146-P161 WeakPolarHBondContact O-CD 3.4Å; D146-M167 HydrophobicContact CB-CE 3.95Å; D146-M167 HydrophobicContact CB-SD 3.72Å
147I82.6Confident79.4Confident14 Ų1467.5 Ų67.57%0.07238%0.376CS..SBendtrans-114119.1-174.2-55.3-159.1000109.9S145 M149 F158 I170 H171 T174S145-I147 PolarHBondContact O-N 3.38Å; I147-M149 PolarHBondContact O-N 2.7Å; I147-F158 HydrophobicContact CG2-CB 3.98Å; I147-F158 HydrophobicContact CG2-CD1 4.06Å; I147-F158 HydrophobicContact CG2-CG 4.49Å; I147-I170 VanDerWaalsContact CD1-C 3.43Å; I147-I170 HydrophobicContact CD1-CB 4.02Å; I147-I170 HydrophobicContact CD1-CG2 3.59Å; I147-I170 HydrophobicContact CG1-CG2 4.01Å; I147-H171 HydrophobicContact CD1-CB 3.65Å; I147-T174 HydrophobicContact CG2-CG2 4.5Å
148K81.8Confident79.6Confident151 Ų15167.1 Ų67.166%0.65737%0.365SS*.EExtended strand (participates in β ladder)trans-80.4121.3175.7-64.1179.4-177179.70109.3F158 T159K148-F158 WeakPolarHBondContact O-CA 3.44Å; K148-T159 WeakPolarHBondContact CB-OG1 3.48Å; K148-T159 PolarHBondContact N-O 3.25Å; K148-T159 VanDerWaalsContact N-O 3.08Å; K148-T159 PolarHBondContact O-N 2.89Å; K148-T159 PolarHBondContact O-OG1 3.2Å
149M79.4Confident79.7Confident18 Ų1864.2 Ų64.29%0.08936%0.356CS..EExtended strand (participates in β ladder)trans-93.7118.7171.5-179-179.8175.100108.3V123 V130 I147 I151 V156 F158 F178V123-M149 HydrophobicContact CG1-CE 3.86Å; V130-M149 HydrophobicContact CG1-CE 4.04Å; V130-M149 HydrophobicContact CG1-SD 4.42Å; V130-M149 HydrophobicContact CG2-CE 4.28Å; V130-M149 HydrophobicContact CG2-SD 3.59Å; V130-M149 VanDerWaalsContact CG2-SD 3.59Å; I147-M149 PolarHBondContact O-N 2.7Å; M149-I151 HydrophobicContact CE-CD1 3.83Å; M149-I151 HydrophobicContact CE-CG1 3.85Å; M149-I151 HydrophobicContact CG-CG1 4.34Å; M149-V156 HydrophobicContact CE-CG1 3.44Å; M149-V156 VanDerWaalsContact CE-CG1 3.44Å; M149-V156 HydrophobicContact CE-CG2 4.33Å; M149-V156 HydrophobicContact CG-CG1 3.73Å; M149-V156 HydrophobicContact SD-CG1 4.32Å; M149-F158 HydrophobicContact CB-CD1 4.07Å; M149-F158 HydrophobicContact CB-CE1 3.89Å; M149-F158 HydrophobicContact CG-CD1 4.21Å; M149-F158 HydrophobicContact CG-CE1 3.66Å; M149-F158 HydrophobicContact CG-CZ 4.23Å; M149-F158 HydrophobicContact SD-CE1 3.99Å; M149-F158 HydrophobicContact SD-CZ 4.38Å; M149-F178 HydrophobicContact CE-CD2 3.85Å; M149-F178 HydrophobicContact CE-CE1 4.39Å; M149-F178 HydrophobicContact CE-CE2 3.36Å; M149-F178 HydrophobicContact CE-CZ 3.68Å
150N81.3Confident79.6Confident65 Ų6567.6 Ų67.635%0.34837%0.367SS..EExtended strand (participates in β ladder)trans-107122.1173.3-61-26.5000107.9V156 T157N150-V156 WeakPolarHBondContact O-CA 3.47Å; N150-T157 WeakPolarHBondContact CB-OG1 3.37Å; N150-T157 PolarHBondContact N-O 2.91Å; N150-T157 PolarHBondContact O-N 2.88Å
151I75.8Confident79.5Confident69 Ų6968.8 Ų68.835%0.35438%0.376SS..EExtended strand (participates in β ladder)trans-99106.6176.6-58.1173.2000107.2V123 Q125 M149 V156V123-I151 HydrophobicContact CG1-CD1 3.93Å; Q125-I151 HydrophobicContact CB-CD1 4.08Å; M149-I151 HydrophobicContact CE-CD1 3.83Å; M149-I151 HydrophobicContact CE-CG1 3.85Å; M149-I151 HydrophobicContact CG-CG1 4.34Å; I151-V156 HydrophobicContact CG1-CG2 4.3Å; I151-V156 HydrophobicContact CG2-CG2 4.43Å
152E69.8Low79.6Confident128 Ų12868.9 Ų68.960%0.59838%0.382SS*.EExtended strand (participates in β ladder)trans-107.582.7176.1-69-175.5-16500109.3S154 E155E152-S154 PolarHBondContact O-N 2.87Å; E152-E155 CarbonylContact C-O 3.13Å; E152-E155 WeakPolarHBondContact CA-O 3.42Å; E152-E155 PolarHBondContact N-O 2.86Å; E152-E155 PolarHBondContact O-N 2.88Å
153G63.3Low79.6Confident35 Ų3569.2 Ų69.236%0.36138%0.38SS..THydrogen-bonded Turntrans61.2-106.8-179.200000111.9
154S65.3Low79.9Confident87 Ų8770.1 Ų70.161%0.60839%0.39SS*.THydrogen-bonded Turntrans-88.3-16.3177.455.60000114.2E152E152-S154 PolarHBondContact O-N 2.87Å
155E69.8Low80.4Confident128 Ų12876.4 Ų76.460%0.59841%0.411SS*.EExtended strand (participates in β ladder)trans-100129.3-178.4-66.6-171178.300110E152E152-E155 CarbonylContact C-O 3.13Å; E152-E155 WeakPolarHBondContact CA-O 3.42Å; E152-E155 PolarHBondContact N-O 2.86Å; E152-E155 PolarHBondContact O-N 2.88Å
156V79.5Confident80.9Confident37 Ų3779.8 Ų79.822%0.22442%0.417CS..EExtended strand (participates in β ladder)trans-109.6113.3173.8178.40000107.8M149 N150 I151 F158 F178M149-V156 HydrophobicContact CE-CG1 3.44Å; M149-V156 VanDerWaalsContact CE-CG1 3.44Å; M149-V156 HydrophobicContact CE-CG2 4.33Å; M149-V156 HydrophobicContact CG-CG1 3.73Å; M149-V156 HydrophobicContact SD-CG1 4.32Å; N150-V156 WeakPolarHBondContact O-CA 3.47Å; I151-V156 HydrophobicContact CG1-CG2 4.3Å; I151-V156 HydrophobicContact CG2-CG2 4.43Å; V156-F158 HydrophobicContact CG1-CE1 4.39Å; V156-F158 HydrophobicContact CG1-CE2 3.84Å; V156-F158 HydrophobicContact CG1-CZ 3.74Å; V156-F178 HydrophobicContact CB-CD1 4.4Å; V156-F178 HydrophobicContact CB-CE1 3.66Å; V156-F178 HydrophobicContact CB-CZ 4.16Å; V156-F178 HydrophobicContact CG1-CD1 4.16Å; V156-F178 HydrophobicContact CG1-CE1 3.73Å; V156-F178 HydrophobicContact CG1-CZ 4.08Å; V156-F178 HydrophobicContact CG2-CE1 3.66Å; V156-F178 HydrophobicContact CG2-CZ 3.71Å
157T82.5Confident81.2Confident51 Ų5178.4 Ų78.431%0.31341%0.409SS..EExtended strand (participates in β ladder)trans-103.1141.5177.664.40000110.3N150N150-T157 WeakPolarHBondContact CB-OG1 3.37Å; N150-T157 PolarHBondContact N-O 2.91Å; N150-T157 PolarHBondContact O-N 2.88Å
158F86Confident81.4Confident26 Ų2682.2 Ų82.211%0.11443%0.426CS..EExtended strand (participates in β ladder)trans-113.9121.4176.7-65.1-81.8000108.4I147 K148 M149 V156 H171 T174 R175 F178I147-F158 HydrophobicContact CG2-CB 3.98Å; I147-F158 HydrophobicContact CG2-CD1 4.06Å; I147-F158 HydrophobicContact CG2-CG 4.49Å; K148-F158 WeakPolarHBondContact O-CA 3.44Å; M149-F158 HydrophobicContact CB-CD1 4.07Å; M149-F158 HydrophobicContact CB-CE1 3.89Å; M149-F158 HydrophobicContact CG-CD1 4.21Å; M149-F158 HydrophobicContact CG-CE1 3.66Å; M149-F158 HydrophobicContact CG-CZ 4.23Å; M149-F158 HydrophobicContact SD-CE1 3.99Å; M149-F158 HydrophobicContact SD-CZ 4.38Å; V156-F158 HydrophobicContact CG1-CE1 4.39Å; V156-F158 HydrophobicContact CG1-CE2 3.84Å; V156-F158 HydrophobicContact CG1-CZ 3.74Å; F158-H171 WeakPolarHBondContact CB-NE2 3.33Å; F158-H171 PolarHBondContact O-NE2 2.88Å; F158-T174 HydrophobicContact CD1-CG2 3.68Å; F158-T174 HydrophobicContact CE1-CG2 3.54Å; F158-T174 HydrophobicContact CZ-CG2 4.29Å; F158-R175 HydrophobicContact CD2-CB 3.94Å; F158-R175 HydrophobicContact CD2-CG 4.18Å; F158-R175 HydrophobicContact CE2-CB 4.24Å; F158-R175 HydrophobicContact CE2-CG 4.41Å; F158-F178 HydrophobicContact CE2-CB 4.18Å; F158-F178 AromaticContact CE2-CD1 3.95Å; F158-F178 HydrophobicContact CE2-CD1 3.95Å; F158-F178 HydrophobicContact CE2-CG 4.24Å; F158-F178 HydrophobicContact CZ-CB 3.62Å; F158-F178 AromaticContact CZ-CD1 3.76Å; F158-F178 HydrophobicContact CZ-CD1 3.76Å; F158-F178 HydrophobicContact CZ-CD2 4.38Å; F158-F178 AromaticContact CZ-CG 3.64Å; F158-F178 HydrophobicContact CZ-CG 3.64Å
159T85.6Confident81.7Confident61 Ų6179 Ų7937%0.37442%0.419SS..EExtended strand (participates in β ladder)trans-109.2134.2177.661.20000110.1K148K148-T159 WeakPolarHBondContact CB-OG1 3.48Å; K148-T159 PolarHBondContact N-O 3.25Å; K148-T159 VanDerWaalsContact N-O 3.08Å; K148-T159 PolarHBondContact O-N 2.89Å; K148-T159 PolarHBondContact O-OG1 3.2Å
160R86.2Confident82.2Confident94 Ų9480.6 Ų80.636%0.35543%0.427SS..  trans-103.9146.4176.964.6-178.3-179.9-108.5-3.9110.1D162 D163 H171R160-D162 VanDerWaalsContact CD-O 3.23Å; R160-D162 WeakPolarHBondContact CD-O 3.47Å; R160-D162 WeakPolarHBondContact CG-O 3.42Å; R160-D163 IonicContact CZ-OD1 2.67Å; R160-D163 IonicContact NE-OD1 3.7Å; R160-D163 PolarHBondContact NE-OD1 2.84Å; R160-D163 IonicContact NH2-OD1 3.67Å; R160-D163 PolarHBondContact NH2-OD1 2.7Å; R160-H171 PolarHBondContact NH1-ND1 2.84Å
161P86Confident82.6Confident96 Ų9679.5 Ų79.562%0.62342%0.42SS*.SBendtrans-75.8-34.7-178.627.9-33.7000113D146D146-P161 WeakPolarHBondContact O-CD 3.4Å
162D87.9Confident83.3Confident75 Ų7578 Ų7840%0.40142%0.422SS..  trans-136.5171.4-179.77822.7000112.7R160 S164 M167R160-D162 VanDerWaalsContact CD-O 3.23Å; R160-D162 WeakPolarHBondContact CD-O 3.47Å; R160-D162 WeakPolarHBondContact CG-O 3.42Å; D162-S164 WeakPolarHBondContact OD1-CB 3.39Å; D162-S164 PolarHBondContact OD1-N 3.38Å; D162-S164 PolarHBondContact OD1-OG 3.39Å; D162-M167 WeakPolarHBondContact OD1-CB 3.36Å; D162-M167 WeakPolarHBondContact OD1-CG 3.45Å
163D86.5Confident84.2Confident102 Ų10275.3 Ų75.355%0.54541%0.414SS..  trans-101.720.5-179.8-97.5-9.5000113.9R160 K168R160-D163 IonicContact CZ-OD1 2.67Å; R160-D163 IonicContact NE-OD1 3.7Å; R160-D163 PolarHBondContact NE-OD1 2.84Å; R160-D163 IonicContact NH2-OD1 3.67Å; R160-D163 PolarHBondContact NH2-OD1 2.7Å; D163-K168 VanDerWaalsContact O-CE 3.23Å; D163-K168 WeakPolarHBondContact O-CE 3.32Å; D163-K168 PolarHBondContact O-NZ 2.99Å; D163-K168 WeakPolarHBondContact OD1-CE 3.47Å; D163-K168 IonicContact OD1-NZ 3.24Å
164S90.5Very high85.5Confident44 Ų4474 Ų7431%0.30840%0.399SS..  trans-62155.2175.371.30000111.3D162 E166 M167 K168D162-S164 WeakPolarHBondContact OD1-CB 3.39Å; D162-S164 PolarHBondContact OD1-N 3.38Å; D162-S164 PolarHBondContact OD1-OG 3.39Å; S164-E166 VanDerWaalsContact C-N 3.26Å; S164-E166 PolarHBondContact O-N 3.25Å; S164-M167 PolarHBondContact O-N 2.93Å; S164-M167 WeakPolarHBondContact OG-CB 3.31Å; S164-M167 VanDerWaalsContact OG-CG 3.27Å; S164-M167 WeakPolarHBondContact OG-CG 3.45Å; S164-M167 PolarHBondContact OG-N 3.25Å; S164-K168 WeakPolarHBondContact O-CB 3.42Å; S164-K168 WeakPolarHBondContact O-CG 3.27Å; S164-K168 PolarHBondContact O-N 3.43Å
165K89.7Confident86.7Confident179 Ų17977 Ų7778%0.77840%0.397SS*.Hα-helixtrans-61.3-37.8179.1-174.5179.5178.3-176.40111.6T169K165-T169 PolarHBondContact O-N 3.31Å; K165-T169 VanDerWaalsContact O-N 3.11Å; K165-T169 PolarHBondContact O-OG1 3.39Å
166E87.3Confident87.6Confident152 Ų15272.9 Ų72.971%0.7139%0.385SS*.Hα-helixtrans-64.6-52.1178.2-65.6-179.7-179.200110.6S164 K168 T169 I170S164-E166 VanDerWaalsContact C-N 3.26Å; S164-E166 PolarHBondContact O-N 3.25Å; E166-K168 VanDerWaalsContact C-N 3.34Å; E166-K168 PolarHBondContact O-N 2.93Å; E166-T169 WeakPolarHBondContact O-CA 3.43Å; E166-T169 WeakPolarHBondContact O-CB 3.35Å; E166-T169 PolarHBondContact O-N 2.85Å; E166-I170 WeakPolarHBondContact O-CG1 3.33Å; E166-I170 PolarHBondContact O-N 2.81Å
167M88.5Confident88.2Confident34 Ų3472.3 Ų72.317%0.16738%0.381CS..Hα-helixtrans-64.3-36.1179.5-67.8-60.5166.900113D146 D162 S164 T169 I170 H171D146-M167 HydrophobicContact CB-CE 3.95Å; D146-M167 HydrophobicContact CB-SD 3.72Å; D162-M167 WeakPolarHBondContact OD1-CB 3.36Å; D162-M167 WeakPolarHBondContact OD1-CG 3.45Å; S164-M167 PolarHBondContact O-N 2.93Å; S164-M167 WeakPolarHBondContact OG-CB 3.31Å; S164-M167 VanDerWaalsContact OG-CG 3.27Å; S164-M167 WeakPolarHBondContact OG-CG 3.45Å; S164-M167 PolarHBondContact OG-N 3.25Å; M167-T169 VanDerWaalsContact C-N 3.29Å; M167-T169 PolarHBondContact O-N 2.94Å; M167-I170 PolarHBondContact O-N 3.5Å; M167-I170 HydrophobicContact SD-CD1 4.26Å; M167-H171 VanDerWaalsContact O-CB 3.22Å; M167-H171 WeakPolarHBondContact O-CB 3.34Å; M167-H171 PolarHBondContact O-N 2.92Å
168K87.9Confident88.5Confident95 Ų9570.7 Ų70.741%0.41337%0.369SS..Hα-helixtrans-61-37.8171.7-77172.5175.7155.90112.4D163 S164 E166 G172D163-K168 VanDerWaalsContact O-CE 3.23Å; D163-K168 WeakPolarHBondContact O-CE 3.32Å; D163-K168 PolarHBondContact O-NZ 2.99Å; D163-K168 WeakPolarHBondContact OD1-CE 3.47Å; D163-K168 IonicContact OD1-NZ 3.24Å; S164-K168 WeakPolarHBondContact O-CB 3.42Å; S164-K168 WeakPolarHBondContact O-CG 3.27Å; S164-K168 PolarHBondContact O-N 3.43Å; E166-K168 VanDerWaalsContact C-N 3.34Å; E166-K168 PolarHBondContact O-N 2.93Å; K168-G172 PolarHBondContact O-N 3.2Å
169T87.5Confident88.7Confident84 Ų8472.6 Ų72.652%0.51538%0.381SS..Hα-helixtrans-70.3-44.4179-55.10000111.2K165 E166 M167 H171 G172 T173K165-T169 PolarHBondContact O-N 3.31Å; K165-T169 VanDerWaalsContact O-N 3.11Å; K165-T169 PolarHBondContact O-OG1 3.39Å; E166-T169 WeakPolarHBondContact O-CA 3.43Å; E166-T169 WeakPolarHBondContact O-CB 3.35Å; E166-T169 PolarHBondContact O-N 2.85Å; M167-T169 VanDerWaalsContact C-N 3.29Å; M167-T169 PolarHBondContact O-N 2.94Å; T169-H171 VanDerWaalsContact C-N 3.32Å; T169-H171 PolarHBondContact O-N 2.84Å; T169-G172 PolarHBondContact O-N 3.07Å; T169-T173 WeakPolarHBondContact O-CB 3.42Å; T169-T173 PolarHBondContact O-N 3.44Å; T169-T173 PolarHBondContact O-OG1 3.46Å
170I90.2Very high89Confident51 Ų5171.5 Ų71.526%0.26237%0.373SS..Hα-helixtrans-63.4-41.2175.8-59.3171000109.7I147 E166 M167 T173 T174I147-I170 VanDerWaalsContact CD1-C 3.43Å; I147-I170 HydrophobicContact CD1-CB 4.02Å; I147-I170 HydrophobicContact CD1-CG2 3.59Å; I147-I170 HydrophobicContact CG1-CG2 4.01Å; E166-I170 WeakPolarHBondContact O-CG1 3.33Å; E166-I170 PolarHBondContact O-N 2.81Å; M167-I170 PolarHBondContact O-N 3.5Å; M167-I170 HydrophobicContact SD-CD1 4.26Å; I170-T173 PolarHBondContact O-N 3.11Å; I170-T174 WeakPolarHBondContact O-CB 3.42Å; I170-T174 PolarHBondContact O-N 2.88Å; I170-T174 PolarHBondContact O-OG1 3.37Å; I170-T174 VanDerWaalsContact O-OG1 3.12Å
171H90Very high89.1Confident41 Ų4167.5 Ų67.519%0.1936%0.358CS..Hα-helixtrans-61.3-48.1178.7-177.9-122.8000112.9I147 F158 R160 M167 T169 T173 R175I147-H171 HydrophobicContact CD1-CB 3.65Å; F158-H171 WeakPolarHBondContact CB-NE2 3.33Å; F158-H171 PolarHBondContact O-NE2 2.88Å; R160-H171 PolarHBondContact NH1-ND1 2.84Å; M167-H171 VanDerWaalsContact O-CB 3.22Å; M167-H171 WeakPolarHBondContact O-CB 3.34Å; M167-H171 PolarHBondContact O-N 2.92Å; T169-H171 VanDerWaalsContact C-N 3.32Å; T169-H171 PolarHBondContact O-N 2.84Å; H171-T173 VanDerWaalsContact C-N 3.31Å; H171-T173 PolarHBondContact O-N 3.2Å; H171-R175 WeakPolarHBondContact O-CB 3.4Å; H171-R175 PolarHBondContact O-N 3.29Å
172G89.1Confident89.1Confident39 Ų3964.9 Ų64.940%0.40234%0.34SS..Hα-helixtrans-59.7-42.8173.900000112.3K168 T169 A176K168-G172 PolarHBondContact O-N 3.2Å; T169-G172 PolarHBondContact O-N 3.07Å; G172-A176 VanDerWaalsContact O-CB 3.25Å; G172-A176 WeakPolarHBondContact O-CB 3.31Å; G172-A176 PolarHBondContact O-N 2.81Å
173T90.2Very high89.1Confident70 Ų7063.2 Ų63.243%0.42933%0.333SS..Hα-helixtrans-66.8-47.6-178.9-55.50000111.9T169 I170 H171 A176 N177T169-T173 WeakPolarHBondContact O-CB 3.42Å; T169-T173 PolarHBondContact O-N 3.44Å; T169-T173 PolarHBondContact O-OG1 3.46Å; I170-T173 PolarHBondContact O-N 3.11Å; H171-T173 VanDerWaalsContact C-N 3.31Å; H171-T173 PolarHBondContact O-N 3.2Å; T173-A176 PolarHBondContact O-N 3.26Å; T173-N177 WeakPolarHBondContact O-CB 3.28Å; T173-N177 VanDerWaalsContact O-CG 3.27Å; T173-N177 PolarHBondContact O-N 2.93Å; T173-N177 PolarHBondContact O-ND2 2.97Å
174T88.9Confident89.2Confident9 Ų958.3 Ų58.36%0.05531%0.307CS..Hα-helixtrans-59.5-48.7177.4-65.40000111.2F143 I147 F158 I170 A176 N177 F178F143-T174 HydrophobicContact CB-CG2 4.44Å; F143-T174 HydrophobicContact CD1-CG2 3.68Å; F143-T174 HydrophobicContact CE1-CG2 4.09Å; F143-T174 HydrophobicContact CG-CG2 4.11Å; I147-T174 HydrophobicContact CG2-CG2 4.5Å; F158-T174 HydrophobicContact CD1-CG2 3.68Å; F158-T174 HydrophobicContact CE1-CG2 3.54Å; F158-T174 HydrophobicContact CZ-CG2 4.29Å; I170-T174 WeakPolarHBondContact O-CB 3.42Å; I170-T174 PolarHBondContact O-N 2.88Å; I170-T174 PolarHBondContact O-OG1 3.37Å; I170-T174 VanDerWaalsContact O-OG1 3.12Å; T174-A176 PolarHBondContact O-N 3.4Å; T174-N177 PolarHBondContact O-N 3.31Å; T174-F178 WeakPolarHBondContact O-CB 3.35Å; T174-F178 PolarHBondContact O-N 3.43Å
175R90.9Very high89Confident149 Ų14956.2 Ų56.256%0.56229%0.292SS*.Hα-helixtrans-62.2-42.1177.6178.5-102.1167.8160.8-4.7112.1F158 H171 N179F158-R175 HydrophobicContact CD2-CB 3.94Å; F158-R175 HydrophobicContact CD2-CG 4.18Å; F158-R175 HydrophobicContact CE2-CB 4.24Å; F158-R175 HydrophobicContact CE2-CG 4.41Å; H171-R175 WeakPolarHBondContact O-CB 3.4Å; H171-R175 PolarHBondContact O-N 3.29Å; R175-N179 VanDerWaalsContact O-CB 3.28Å; R175-N179 WeakPolarHBondContact O-CB 3.39Å; R175-N179 PolarHBondContact O-N 2.93Å
176A89.9Confident88.5Confident42 Ų4250.2 Ų50.235%0.34727%0.272SS..Hα-helixtrans-65.9-43.4178.300000112G172 T173 T174 N179 N180G172-A176 VanDerWaalsContact O-CB 3.25Å; G172-A176 WeakPolarHBondContact O-CB 3.31Å; G172-A176 PolarHBondContact O-N 2.81Å; T173-A176 PolarHBondContact O-N 3.26Å; T174-A176 PolarHBondContact O-N 3.4Å; A176-N179 PolarHBondContact O-N 3.07Å; A176-N180 WeakPolarHBondContact O-CB 3.48Å; A176-N180 PolarHBondContact O-N 3.04Å; A176-N180 PolarHBondContact O-ND2 3Å
177N91Very high88.5Confident25 Ų2549.4 Ų49.413%0.13427%0.268CS..Hα-helixtrans-66.9-44.1179.2-74.8-15.5000112.2R141 F143 T173 T174 N180 M181R141-N177 VanDerWaalsContact NH1-CG 3.34Å; R141-N177 PolarHBondContact NH2-ND2 3.22Å; F143-N177 HydrophobicContact CE1-CB 3.94Å; T173-N177 WeakPolarHBondContact O-CB 3.28Å; T173-N177 VanDerWaalsContact O-CG 3.27Å; T173-N177 PolarHBondContact O-N 2.93Å; T173-N177 PolarHBondContact O-ND2 2.97Å; T174-N177 PolarHBondContact O-N 3.31Å; N177-N180 WeakPolarHBondContact O-CB 3.49Å; N177-N180 PolarHBondContact O-N 3.36Å; N177-M181 WeakPolarHBondContact O-CG 3.42Å; N177-M181 PolarHBondContact O-N 2.89Å
178F89.6Confident88.5Confident16 Ų1648.7 Ų48.77%0.0727%0.27CS..Hα-helixtrans-61.6-45.2175-179.5-101.2000112V123 V130 V132 F143 M149 V156 F158 T174 N180 M181 V182V123-F178 HydrophobicContact CG1-CE2 3.73Å; V123-F178 HydrophobicContact CG1-CZ 3.84Å; V123-F178 HydrophobicContact CG2-CE2 4.37Å; V123-F178 HydrophobicContact CG2-CZ 3.91Å; V130-F178 HydrophobicContact CG1-CD2 4.05Å; V130-F178 HydrophobicContact CG1-CE2 3.8Å; V132-F178 HydrophobicContact CG2-CD2 4.31Å; V132-F178 HydrophobicContact CG2-CE2 3.75Å; F143-F178 HydrophobicContact CE2-CD2 4.38Å; F143-F178 HydrophobicContact CZ-CB 3.95Å; F143-F178 HydrophobicContact CZ-CD2 4.41Å; M149-F178 HydrophobicContact CE-CD2 3.85Å; M149-F178 HydrophobicContact CE-CE1 4.39Å; M149-F178 HydrophobicContact CE-CE2 3.36Å; M149-F178 HydrophobicContact CE-CZ 3.68Å; V156-F178 HydrophobicContact CB-CD1 4.4Å; V156-F178 HydrophobicContact CB-CE1 3.66Å; V156-F178 HydrophobicContact CB-CZ 4.16Å; V156-F178 HydrophobicContact CG1-CD1 4.16Å; V156-F178 HydrophobicContact CG1-CE1 3.73Å; V156-F178 HydrophobicContact CG1-CZ 4.08Å; V156-F178 HydrophobicContact CG2-CE1 3.66Å; V156-F178 HydrophobicContact CG2-CZ 3.71Å; F158-F178 HydrophobicContact CE2-CB 4.18Å; F158-F178 AromaticContact CE2-CD1 3.95Å; F158-F178 HydrophobicContact CE2-CD1 3.95Å; F158-F178 HydrophobicContact CE2-CG 4.24Å; F158-F178 HydrophobicContact CZ-CB 3.62Å; F158-F178 AromaticContact CZ-CD1 3.76Å; F158-F178 HydrophobicContact CZ-CD1 3.76Å; F158-F178 HydrophobicContact CZ-CD2 4.38Å; F158-F178 AromaticContact CZ-CG 3.64Å; F158-F178 HydrophobicContact CZ-CG 3.64Å; T174-F178 WeakPolarHBondContact O-CB 3.35Å; T174-F178 PolarHBondContact O-N 3.43Å; F178-N180 VanDerWaalsContact C-N 3.32Å; F178-N180 PolarHBondContact O-N 2.88Å; F178-M181 WeakPolarHBondContact O-CB 3.49Å; F178-M181 PolarHBondContact O-N 2.98Å; F178-V182 HydrophobicContact CD1-CG2 4.34Å; F178-V182 HydrophobicContact CE1-CG2 3.8Å; F178-V182 HydrophobicContact CE2-CG2 4.37Å; F178-V182 HydrophobicContact CZ-CG2 3.81Å; F178-V182 PolarHBondContact O-N 3.34Å; F178-V182 VanDerWaalsContact O-N 3.07Å
179N89.3Confident88.7Confident66 Ų6645.9 Ų45.935%0.35326%0.258SS..Hα-helixtrans-59-43.9174.6-173.64.4000111.5R175 A176 M181 V182 V183R175-N179 VanDerWaalsContact O-CB 3.28Å; R175-N179 WeakPolarHBondContact O-CB 3.39Å; R175-N179 PolarHBondContact O-N 2.93Å; A176-N179 PolarHBondContact O-N 3.07Å; N179-M181 VanDerWaalsContact C-N 3.26Å; N179-M181 PolarHBondContact O-N 3.15Å; N179-V182 PolarHBondContact O-N 2.91Å; N179-V183 WeakPolarHBondContact O-CG2 3.46Å; N179-V183 PolarHBondContact O-N 2.87Å; N179-V183 WeakPolarHBondContact OD1-CG2 3.08Å
180N91.7Very high89Confident39 Ų3948.4 Ų48.421%0.20926%0.264CS..Hα-helixtrans-60.1-35.5175.4-66.8-38.6000112.1A176 N177 F178 G184 F189 K244A176-N180 WeakPolarHBondContact O-CB 3.48Å; A176-N180 PolarHBondContact O-N 3.04Å; A176-N180 PolarHBondContact O-ND2 3Å; N177-N180 WeakPolarHBondContact O-CB 3.49Å; N177-N180 PolarHBondContact O-N 3.36Å; F178-N180 VanDerWaalsContact C-N 3.32Å; F178-N180 PolarHBondContact O-N 2.88Å; N180-G184 WeakPolarHBondContact O-CA 3.11Å; N180-G184 PolarHBondContact O-N 3.07Å; N180-F189 HydrophobicContact CB-CZ 4.33Å; N180-F189 VanDerWaalsContact O-CE2 3.28Å; N180-F189 WeakPolarHBondContact O-CE2 3.38Å; N180-F189 WeakPolarHBondContact O-CZ 3.39Å; N180-K244 HydrophobicContact CB-CD 4.23Å; N180-K244 VanDerWaalsContact OD1-CD 3.31Å; N180-K244 WeakPolarHBondContact OD1-CD 3.34Å; N180-K244 PolarHBondContact OD1-NZ 2.85Å
181M88.9Confident89.2Confident10 Ų1050.8 Ų50.85%0.04927%0.272CS..Hα-helixtrans-65-47.5175.7-67.1169.47400111.2V132 L139 R141 F143 N177 F178 N179 G184 V185V132-M181 HydrophobicContact CB-CB 4.29Å; V132-M181 HydrophobicContact CB-CE 4.36Å; V132-M181 HydrophobicContact CG2-CB 4.01Å; V132-M181 HydrophobicContact CG2-CE 3.89Å; L139-M181 HydrophobicContact CB-CB 4.46Å; L139-M181 HydrophobicContact CB-CE 3.83Å; L139-M181 HydrophobicContact CB-CG 4.3Å; L139-M181 HydrophobicContact CD1-CB 4.19Å; L139-M181 HydrophobicContact CD1-CG 4.26Å; L139-M181 WeakPolarHBondContact O-CE 3.46Å; R141-M181 HydrophobicContact CB-CE 3.89Å; R141-M181 HydrophobicContact CB-SD 3.8Å; F143-M181 HydrophobicContact CE2-SD 4.38Å; F143-M181 HydrophobicContact CZ-SD 3.93Å; N177-M181 WeakPolarHBondContact O-CG 3.42Å; N177-M181 PolarHBondContact O-N 2.89Å; F178-M181 WeakPolarHBondContact O-CB 3.49Å; F178-M181 PolarHBondContact O-N 2.98Å; N179-M181 VanDerWaalsContact C-N 3.26Å; N179-M181 PolarHBondContact O-N 3.15Å; M181-G184 PolarHBondContact O-N 2.64Å; M181-V185 WeakPolarHBondContact O-CG2 3.19Å; M181-V185 PolarHBondContact O-N 2.98Å
182V86.6Confident89.5Confident40 Ų4050.7 Ų50.724%0.24228%0.279CS..Hα-helixtrans-61.6-51.9179.1173.10000111.7V121 V132 F178 N179 G184 V185 S186V121-V182 HydrophobicContact CG1-CG1 4.24Å; V132-V182 HydrophobicContact CG1-CG2 4.07Å; F178-V182 HydrophobicContact CD1-CG2 4.34Å; F178-V182 HydrophobicContact CE1-CG2 3.8Å; F178-V182 HydrophobicContact CE2-CG2 4.37Å; F178-V182 HydrophobicContact CZ-CG2 3.81Å; F178-V182 PolarHBondContact O-N 3.34Å; F178-V182 VanDerWaalsContact O-N 3.07Å; N179-V182 PolarHBondContact O-N 2.91Å; V182-G184 VanDerWaalsContact C-N 3.26Å; V182-G184 PolarHBondContact O-N 3.28Å; V182-V185 WeakPolarHBondContact O-CG2 3.46Å; V182-V185 PolarHBondContact O-N 3.42Å; V182-S186 WeakPolarHBondContact O-CB 3.21Å; V182-S186 PolarHBondContact O-N 2.63Å; V182-S186 VanDerWaalsContact O-N 3.11Å
183V87.2Confident89.7Confident40 Ų4048.9 Ų48.924%0.24226%0.26CS..Hα-helixtrans-61.8-38.1176.9174.60000110.7N179 S186 E187 G188 F189N179-V183 WeakPolarHBondContact O-CG2 3.46Å; N179-V183 PolarHBondContact O-N 2.87Å; N179-V183 WeakPolarHBondContact OD1-CG2 3.08Å; V183-S186 PolarHBondContact O-N 2.67Å; V183-E187 HydrophobicContact CG1-CB 4.43Å; V183-E187 PolarHBondContact O-N 2.96Å; V183-G188 PolarHBondContact O-N 3.02Å; V183-F189 HydrophobicContact CB-CZ 4.08Å; V183-F189 HydrophobicContact CG1-CE1 3.95Å; V183-F189 HydrophobicContact CG1-CZ 3.89Å
184G87.9Confident89.9Confident0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-63.2-44.9179.200000114.5N180 M181 V182 G188 S242N180-G184 WeakPolarHBondContact O-CA 3.11Å; N180-G184 PolarHBondContact O-N 3.07Å; M181-G184 PolarHBondContact O-N 2.64Å; V182-G184 VanDerWaalsContact C-N 3.26Å; V182-G184 PolarHBondContact O-N 3.28Å; G184-G188 WeakPolarHBondContact O-CA 3.38Å; G184-G188 PolarHBondContact O-N 3.15Å; G184-S242 CarbonylContact C-O 3.6Å; G184-S242 WeakPolarHBondContact CA-O 3.27Å; G184-S242 WeakPolarHBondContact O-CA 3.46Å
185V86.1Confident90.1Very high0 Ų047.8 Ų47.80%025%0.25CC..Hα-helixtrans-78-23.3178.8-59.40000113.2V121 V132 G134 P135 K136 G137 L139 M181 V182V121-V185 HydrophobicContact CG1-CG2 4.44Å; V132-V185 HydrophobicContact CG1-CG2 3.68Å; G134-V185 CarbonylContact C-O 3.58Å; P135-V185 WeakPolarHBondContact CD-O 3.25Å; K136-V185 WeakPolarHBondContact CB-O 3.42Å; K136-V185 PolarHBondContact N-O 3.19Å; G137-V185 WeakPolarHBondContact O-CG1 3.46Å; L139-V185 HydrophobicContact CB-CG1 4.29Å; L139-V185 HydrophobicContact CD1-CG1 3.9Å; L139-V185 HydrophobicContact CG-CG1 3.85Å; M181-V185 WeakPolarHBondContact O-CG2 3.19Å; M181-V185 PolarHBondContact O-N 2.98Å; V182-V185 WeakPolarHBondContact O-CG2 3.46Å; V182-V185 PolarHBondContact O-N 3.42Å
186S81.1Confident90.1Very high52 Ų5243 Ų4336%0.36424%0.235SC..Hα-helixtrans-85.2-66.3177.7-175.20000111.7K136 V182 V183K136-S186 WeakPolarHBondContact CE-O 3.26Å; V182-S186 WeakPolarHBondContact O-CB 3.21Å; V182-S186 PolarHBondContact O-N 2.63Å; V182-S186 VanDerWaalsContact O-N 3.11Å; V183-S186 PolarHBondContact O-N 2.67Å
187E85.2Confident90Very high135 Ų13542.3 Ų42.363%0.63123%0.232SC*.THydrogen-bonded Turntrans-98.3-27.4-172-64176.9-164.200113K136 V183K136-E187 VanDerWaalsContact CE-O 3.26Å; K136-E187 WeakPolarHBondContact CE-O 3.5Å; K136-E187 PolarHBondContact NZ-O 2.92Å; V183-E187 HydrophobicContact CG1-CB 4.43Å; V183-E187 PolarHBondContact O-N 2.96Å
188G88.7Confident89.8Confident20 Ų2047.1 Ų47.121%0.20626%0.262CS..  trans72161.7-174.700000113.6V183 G184V183-G188 PolarHBondContact O-N 3.02Å; G184-G188 WeakPolarHBondContact O-CA 3.38Å; G184-G188 PolarHBondContact O-N 3.15Å
189F93.4Very high89.7Confident36 Ų3649.4 Ų49.416%0.15829%0.29CS..EExtended strand (participates in β ladder)trans-107.9146.9179.3-62.9-73.7000111.4N180 V183 K240 G241 S242 K244 V247N180-F189 HydrophobicContact CB-CZ 4.33Å; N180-F189 VanDerWaalsContact O-CE2 3.28Å; N180-F189 WeakPolarHBondContact O-CE2 3.38Å; N180-F189 WeakPolarHBondContact O-CZ 3.39Å; V183-F189 HydrophobicContact CB-CZ 4.08Å; V183-F189 HydrophobicContact CG1-CE1 3.95Å; V183-F189 HydrophobicContact CG1-CZ 3.89Å; F189-K240 CarbonylContact O-C 3.6Å; F189-K240 VanDerWaalsContact O-CA 3.31Å; F189-K240 WeakPolarHBondContact O-CA 3.48Å; F189-G241 PolarHBondContact N-O 2.91Å; F189-G241 PolarHBondContact O-N 2.98Å; F189-S242 VanDerWaalsContact CD2-O 3.31Å; F189-S242 WeakPolarHBondContact CD2-O 3.31Å; F189-S242 WeakPolarHBondContact CE2-O 3.11Å; F189-K244 HydrophobicContact CD1-CB 4.36Å; F189-K244 HydrophobicContact CD1-CD 4.31Å; F189-K244 HydrophobicContact CD1-CG 4.11Å; F189-K244 HydrophobicContact CD2-CB 3.62Å; F189-K244 HydrophobicContact CD2-CG 4.25Å; F189-K244 HydrophobicContact CE1-CB 4.34Å; F189-K244 HydrophobicContact CE1-CD 3.92Å; F189-K244 HydrophobicContact CE1-CG 4.17Å; F189-K244 HydrophobicContact CE2-CB 3.58Å; F189-K244 HydrophobicContact CE2-CD 4.48Å; F189-K244 HydrophobicContact CE2-CG 4.3Å; F189-K244 HydrophobicContact CG-CB 4.01Å; F189-K244 HydrophobicContact CG-CG 4.14Å; F189-K244 HydrophobicContact CZ-CB 3.97Å; F189-K244 HydrophobicContact CZ-CD 4.01Å; F189-K244 HydrophobicContact CZ-CG 4.27Å; F189-V247 HydrophobicContact CB-CG1 4.42Å
190Q93.2Very high89.9Confident137 Ų13747.8 Ų47.864%0.6428%0.279SS*.EExtended strand (participates in β ladder)trans-133.5142.7172.163.4-177.78.400111.7V239 K240Q190-V239 CarbonylContact C-O 3.59Å; Q190-V239 VanDerWaalsContact CA-O 3.23Å; Q190-V239 WeakPolarHBondContact CA-O 3.47Å; Q190-K240 HydrophobicContact CB-CG 4.2Å
191K94.4Very high89.9Confident100 Ų10051.6 Ų51.644%0.43529%0.29SS..EExtended strand (participates in β ladder)trans-130.6117.2171-71-64.1-177-175.80109.4V239 V247 A251K191-V239 PolarHBondContact N-O 2.81Å; K191-V239 PolarHBondContact O-N 3.27Å; K191-V247 HydrophobicContact CB-CG1 4.29Å; K191-V247 HydrophobicContact CG-CG1 3.96Å; K191-A251 HydrophobicContact CB-CB 3.88Å; K191-A251 HydrophobicContact CG-CB 4.36Å
192A95.4Very high90.2Very high40 Ų4051.1 Ų51.133%0.33129%0.288SS..EExtended strand (participates in β ladder)trans-94.8133.817600000110.7I237 V238 V271A192-I237 CarbonylContact C-O 3.53Å; A192-I237 WeakPolarHBondContact CA-O 3.41Å; A192-V238 HydrophobicContact CB-CG2 4.32Å; A192-V271 HydrophobicContact CB-CB 4.21Å; A192-V271 HydrophobicContact CB-CG2 3.62Å; A192-V271 PolarHBondContact O-N 3.33Å; A192-V271 VanDerWaalsContact O-N 3.12Å
193L94.8Very high90.4Very high0 Ų052.9 Ų52.90%029%0.294CS..EExtended strand (participates in β ladder)trans-120.4145.2177.6-66.6162.5000109.2Q236 I237 A251 I254 R255 V268 R269 Y270L193-Q236 WeakPolarHBondContact O-CA 3.23Å; L193-I237 HydrophobicContact CB-CB 4.3Å; L193-I237 PolarHBondContact N-O 3.25Å; L193-I237 PolarHBondContact O-N 3.33Å; L193-A251 HydrophobicContact CD1-CB 4.21Å; L193-I254 HydrophobicContact CD1-CB 3.81Å; L193-I254 HydrophobicContact CD1-CD1 4.23Å; L193-I254 HydrophobicContact CD1-CG2 3.57Å; L193-R255 HydrophobicContact CD2-CB 4.35Å; L193-V268 HydrophobicContact CB-CG1 4.27Å; L193-V268 HydrophobicContact CD2-CG1 4.34Å; L193-R269 CarbonylContact C-O 3.59Å; L193-R269 VanDerWaalsContact CA-O 3.27Å; L193-R269 WeakPolarHBondContact CA-O 3.46Å; L193-Y270 HydrophobicContact CD2-CD1 3.37Å; L193-Y270 HydrophobicContact CD2-CE1 3.49Å; L193-Y270 VanDerWaalsContact CD2-CE1 3.49Å; L193-Y270 HydrophobicContact CD2-CG 3.99Å; L193-Y270 HydrophobicContact CG-CD1 4.24Å; L193-Y270 HydrophobicContact CG-CE1 4.37Å
194E94Very high90.6Very high51 Ų5154.9 Ų54.924%0.23830%0.302CS..EExtended strand (participates in β ladder)trans-119.8136.7176.7-175.1-175.3-149.800109.5I196 T235 V268 R269 V271E194-I196 HydrophobicContact CG-CG1 4.16Å; E194-T235 CarbonylContact C-O 3.52Å; E194-T235 WeakPolarHBondContact CA-O 3.31Å; E194-V268 WeakPolarHBondContact O-CA 3.28Å; E194-R269 HydrophobicContact CB-CG 4.34Å; E194-R269 PolarHBondContact N-O 3.16Å; E194-R269 PolarHBondContact O-N 2.93Å; E194-R269 IonicContact OE2-CZ 3.49Å; E194-R269 VanDerWaalsContact OE2-CZ 3.3Å; E194-R269 IonicContact OE2-NE 2.74Å; E194-R269 PolarHBondContact OE2-NE 3.49Å; E194-R269 IonicContact OE2-NH2 2.69Å; E194-R269 PolarHBondContact OE2-NH2 2.92Å; E194-V271 HydrophobicContact CB-CG2 4.37Å
195L93.1Very high90.6Very high6 Ų660.2 Ų60.23%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-101120.7175-6982.5000109.2A202 L211 V213 T235 I237 V268L195-A202 HydrophobicContact CD1-CB 4.25Å; L195-A202 HydrophobicContact CD2-CB 4.29Å; L195-L211 HydrophobicContact CD2-CD2 4.49Å; L195-V213 HydrophobicContact CD2-CG1 3.91Å; L195-T235 WeakPolarHBondContact CD1-O 3.16Å; L195-T235 PolarHBondContact N-O 2.78Å; L195-I237 HydrophobicContact CD1-CD1 3.68Å; L195-I237 HydrophobicContact CD1-CG1 3.86Å; L195-V268 HydrophobicContact CG-CG2 4.26Å
196I91.1Very high90.4Very high48 Ų4863.6 Ų63.625%0.24636%0.362CS..EExtended strand (participates in β ladder)trans-117.4117.4175.4-61.9-170.5000109E194 Y200 K266 G267E194-I196 HydrophobicContact CG-CG1 4.16Å; I196-Y200 VanDerWaalsContact O-CD2 3.3Å; I196-Y200 WeakPolarHBondContact O-CD2 3.46Å; I196-Y200 WeakPolarHBondContact O-CE2 3.31Å; I196-K266 CarbonylContact O-C 3.5Å; I196-K266 WeakPolarHBondContact O-CA 3.23Å; I196-K266 WeakPolarHBondContact O-CB 3.24Å; I196-G267 PolarHBondContact N-O 3.01Å; I196-G267 PolarHBondContact O-N 3.38Å
197G86.7Confident90.4Very high28 Ų2865 Ų6529%0.28937%0.373SS..SBendtrans165.216017800000111.6G199 Y200G197-G199 PolarHBondContact O-N 3.3Å; G197-Y200 PolarHBondContact O-N 3.23Å
198V86.8Confident90.6Very high126 Ų12662.6 Ų62.676%0.76436%0.36SS*.THydrogen-bonded Turntrans-75.6123.5176.6-177.40000108Y200V198-Y200 PolarHBondContact O-N 3.2Å
199G87.7Confident90.6Very high64 Ų6461.6 Ų61.666%0.6635%0.35SS*.THydrogen-bonded Turntrans74.38.3-177.800000114.7G197 R201G197-G199 PolarHBondContact O-N 3.3Å; G199-R201 PolarHBondContact O-N 2.72Å
200Y93Very high90.6Very high32 Ų3260.1 Ų60.113%0.12534%0.344CS..  trans-76.3124.4179.2-7617.2000110I196 G197 V198 N212 V213I196-Y200 VanDerWaalsContact O-CD2 3.3Å; I196-Y200 WeakPolarHBondContact O-CD2 3.46Å; I196-Y200 WeakPolarHBondContact O-CE2 3.31Å; G197-Y200 PolarHBondContact O-N 3.23Å; V198-Y200 PolarHBondContact O-N 3.2Å; Y200-N212 VanDerWaalsContact CA-O 3.23Å; Y200-N212 WeakPolarHBondContact CA-O 3.39Å; Y200-V213 HydrophobicContact CD2-CB 4.47Å; Y200-V213 HydrophobicContact CD2-CG1 4.44Å; Y200-V213 VanDerWaalsContact CE1-O 3.23Å; Y200-V213 WeakPolarHBondContact CE1-O 3.43Å; Y200-V213 HydrophobicContact CE2-CB 4.4Å; Y200-V213 PolarHBondContact OH-O 2.67Å; Y200-V213 VanDerWaalsContact OH-O 3.08Å
201R93.1Very high90.5Very high118 Ų11853.6 Ų53.645%0.44531%0.313SS..EExtended strand (participates in β ladder)trans-150.2145.2178.961178.6-174.3-167.1-0.9112.4G199 N212 N234G199-R201 PolarHBondContact O-N 2.72Å; R201-N212 HydrophobicContact CG-CB 3.7Å; R201-N212 PolarHBondContact N-O 3.27Å; R201-N212 PolarHBondContact NE-ND2 2.98Å; R201-N212 PolarHBondContact O-N 2.85Å; R201-N234 CarbonylContact C-O 3.58Å; R201-N234 VanDerWaalsContact CA-O 3.23Å; R201-N234 WeakPolarHBondContact CA-O 3.42Å; R201-N234 HydrophobicContact CB-CB 4.33Å
202A93.6Very high90.4Very high0 Ų050.6 Ų50.60%030%0.302CS..EExtended strand (participates in β ladder)trans-107.9140.3170.800000109.5L195 L209 V210 L211 V231 N234 I237L195-A202 HydrophobicContact CD1-CB 4.25Å; L195-A202 HydrophobicContact CD2-CB 4.29Å; A202-L209 HydrophobicContact CB-CD1 4.3Å; A202-V210 WeakPolarHBondContact CA-O 3.4Å; A202-L211 HydrophobicContact CB-CD2 3.88Å; A202-V231 HydrophobicContact CB-CG1 4.07Å; A202-V231 HydrophobicContact CB-CG2 4.44Å; A202-N234 PolarHBondContact N-O 3.47Å; A202-I237 HydrophobicContact CB-CD1 3.68Å; A202-I237 HydrophobicContact CB-CG1 3.57Å
203Q91.9Very high90.1Very high77 Ų7748.8 Ų48.836%0.3629%0.287SS..EExtended strand (participates in β ladder)trans-137.2143175.2-64-179.9-67.500109V210Q203-V210 HydrophobicContact CB-CB 4.48Å; Q203-V210 PolarHBondContact N-O 3.12Å; Q203-V210 PolarHBondContact O-N 2.79Å
204L92Very high89.7Confident82 Ų8251.9 Ų51.943%0.42932%0.319SS..EExtended strand (participates in β ladder)trans-100.4120.3174.5-167.672.6000109.1I229 V231L204-I229 HydrophobicContact CD1-CB 4.26Å; L204-I229 HydrophobicContact CD1-CG2 4.37Å; L204-V231 HydrophobicContact CB-CG2 4.3Å
205Q86.9Confident89.4Confident112 Ų11255.1 Ų55.152%0.52333%0.33SS..EExtended strand (participates in β ladder)trans-111.890.3174-68.7-175.10.800109S207 K208 V210Q205-S207 PolarHBondContact O-N 2.84Å; Q205-S207 VanDerWaalsContact O-N 3.08Å; Q205-K208 PolarHBondContact N-O 2.83Å; Q205-K208 PolarHBondContact O-N 2.88Å; Q205-V210 HydrophobicContact CB-CG2 4.2Å; Q205-V210 HydrophobicContact CG-CG2 3.81Å
206G81.7Confident89.1Confident71 Ų7160.7 Ų60.773%0.73237%0.369SS*.THydrogen-bonded Turntrans62.6-110.1-17400000111
207S82Confident89.1Confident83 Ų8365.6 Ų65.658%0.5839%0.391SS*.THydrogen-bonded Turntrans-95.9-6.217657.20000114.4Q205 A223Q205-S207 PolarHBondContact O-N 2.84Å; Q205-S207 VanDerWaalsContact O-N 3.08Å; S207-A223 PolarHBondContact O-N 2.82Å
208K88.2Confident89.2Confident83 Ų8367.1 Ų67.136%0.36140%0.396SS..EExtended strand (participates in β ladder)trans-95.6131.2-179.7-64.9-175.1172.7-170.90111.1Q205 E220 M221 V222Q205-K208 PolarHBondContact N-O 2.83Å; Q205-K208 PolarHBondContact O-N 2.88Å; K208-E220 IonicContact NZ-OE2 3.99Å; K208-E220 PolarHBondContact NZ-OE2 3.43Å; K208-M221 CarbonylContact C-O 3.53Å; K208-M221 WeakPolarHBondContact CA-O 3.5Å; K208-V222 HydrophobicContact CG-CG2 4.3Å
209L90.3Very high89.4Confident0 Ų063.1 Ų63.10%037%0.372CS..EExtended strand (participates in β ladder)trans-89.1122.1167.6175.566.9000109.2A202 L211 E220 M221 I229 V231 I237 I254A202-L209 HydrophobicContact CB-CD1 4.3Å; L209-L211 HydrophobicContact CD1-CD2 4.23Å; L209-L211 HydrophobicContact CD2-CD1 4.35Å; L209-L211 HydrophobicContact CD2-CD2 4.1Å; L209-L211 HydrophobicContact CD2-CG 4.26Å; L209-L211 HydrophobicContact CG-CD2 4.06Å; L209-L211 HydrophobicContact CG-CG 4.13Å; L209-E220 CarbonylContact O-C 3.59Å; L209-E220 WeakPolarHBondContact O-CA 3.33Å; L209-M221 HydrophobicContact CB-CB 4.49Å; L209-M221 PolarHBondContact N-O 2.94Å; L209-M221 PolarHBondContact O-N 3.06Å; L209-I229 HydrophobicContact CB-CD1 3.87Å; L209-I229 HydrophobicContact CB-CG2 4.47Å; L209-I229 HydrophobicContact CD1-CG2 4.11Å; L209-I229 HydrophobicContact CD2-CD1 4.19Å; L209-I229 HydrophobicContact CD2-CG2 4.19Å; L209-I229 HydrophobicContact CG-CG2 4.49Å; L209-V231 HydrophobicContact CD1-CG2 3.93Å; L209-I237 HydrophobicContact CD1-CD1 4.34Å; L209-I237 HydrophobicContact CD2-CD1 4.17Å; L209-I237 HydrophobicContact CD2-CG2 4.38Å; L209-I254 HydrophobicContact CD2-CD1 3.57Å; L209-I254 HydrophobicContact CD2-CG1 3.88Å
210V92.9Very high89.6Confident5 Ų564.8 Ų64.83%0.0336%0.362CS..EExtended strand (participates in β ladder)trans-105.5117.9178.3-174.40000109.4A202 Q203 Q205 P218 E220A202-V210 WeakPolarHBondContact CA-O 3.4Å; Q203-V210 HydrophobicContact CB-CB 4.48Å; Q203-V210 PolarHBondContact N-O 3.12Å; Q203-V210 PolarHBondContact O-N 2.79Å; Q205-V210 HydrophobicContact CB-CG2 4.2Å; Q205-V210 HydrophobicContact CG-CG2 3.81Å; V210-P218 HydrophobicContact CG1-CB 3.73Å; V210-E220 HydrophobicContact CG2-CG 4.32Å
211L91.7Very high89.3Confident0 Ų064.6 Ų64.60%036%0.363CS..EExtended strand (participates in β ladder)trans-109.4117.3-178.5-62.4173.1000110.9L195 A202 L209 V213 P218 V219 M221 I237 I254 T257L195-L211 HydrophobicContact CD2-CD2 4.49Å; A202-L211 HydrophobicContact CB-CD2 3.88Å; L209-L211 HydrophobicContact CD1-CD2 4.23Å; L209-L211 HydrophobicContact CD2-CD1 4.35Å; L209-L211 HydrophobicContact CD2-CD2 4.1Å; L209-L211 HydrophobicContact CD2-CG 4.26Å; L209-L211 HydrophobicContact CG-CD2 4.06Å; L209-L211 HydrophobicContact CG-CG 4.13Å; L211-V213 HydrophobicContact CB-CG1 4.27Å; L211-P218 WeakPolarHBondContact O-CA 3.35Å; L211-V219 HydrophobicContact CB-CB 4.34Å; L211-V219 PolarHBondContact N-O 3.48Å; L211-V219 PolarHBondContact O-N 3.27Å; L211-M221 HydrophobicContact CD1-SD 4.01Å; L211-I237 HydrophobicContact CD2-CD1 3.53Å; L211-I254 HydrophobicContact CD1-CG2 3.97Å; L211-T257 HydrophobicContact CD1-CG2 4.13Å
212N92.1Very high89Confident36 Ų3663.5 Ų63.519%0.19337%0.369CS..EExtended strand (participates in β ladder)trans-98.691.7167.5-62-81.3000107.5Y200 R201Y200-N212 VanDerWaalsContact CA-O 3.23Å; Y200-N212 WeakPolarHBondContact CA-O 3.39Å; R201-N212 HydrophobicContact CG-CB 3.7Å; R201-N212 PolarHBondContact N-O 3.27Å; R201-N212 PolarHBondContact NE-ND2 2.98Å; R201-N212 PolarHBondContact O-N 2.85Å
213V89.6Confident88.5Confident2 Ų264.8 Ų64.81%0.01238%0.38CS..SBendtrans-116.131.8-176.5-67.50000112.4L195 Y200 L211 Y215 R258 V268L195-V213 HydrophobicContact CD2-CG1 3.91Å; Y200-V213 HydrophobicContact CD2-CB 4.47Å; Y200-V213 HydrophobicContact CD2-CG1 4.44Å; Y200-V213 VanDerWaalsContact CE1-O 3.23Å; Y200-V213 WeakPolarHBondContact CE1-O 3.43Å; Y200-V213 HydrophobicContact CE2-CB 4.4Å; Y200-V213 PolarHBondContact OH-O 2.67Å; Y200-V213 VanDerWaalsContact OH-O 3.08Å; L211-V213 HydrophobicContact CB-CG1 4.27Å; V213-Y215 HydrophobicContact CG2-CD2 3.64Å; V213-Y215 HydrophobicContact CG2-CE2 3.78Å; V213-R258 HydrophobicContact CB-CB 4.17Å; V213-R258 HydrophobicContact CG2-CB 4.07Å; V213-V268 HydrophobicContact CG1-CG2 3.87Å
214G85Confident88Confident66 Ų6663.7 Ų63.768%0.6838%0.379SS*.SBendtrans84.111.2177.100000115.5
215Y87.6Confident87.4Confident119 Ų11969 Ų6947%0.46740%0.402SS..SBendtrans-78.6155.7165.4-69.5-63.3000111V213 H217 V219 T257V213-Y215 HydrophobicContact CG2-CD2 3.64Å; V213-Y215 HydrophobicContact CG2-CE2 3.78Å; Y215-H217 WeakPolarHBondContact CB-O 3.38Å; Y215-H217 PolarHBondContact O-N 3.4Å; Y215-V219 HydrophobicContact CD2-CG2 3.86Å; Y215-V219 HydrophobicContact CE2-CG2 4.45Å; Y215-T257 WeakPolarHBondContact CE2-O 3.2Å; Y215-T257 PolarHBondContact OH-O 3.15Å
216S87.9Confident87.1Confident123 Ų12366.5 Ų66.586%0.8641%0.406SS*.SBendtrans-61.4-27.1176.9-51.40000113.1
217H89.8Confident87.4Confident150 Ų15063.7 Ų63.769%0.69437%0.374SS*.SBendtrans-123145.5173.8-64.5-61000110.3Y215Y215-H217 WeakPolarHBondContact CB-O 3.38Å; Y215-H217 PolarHBondContact O-N 3.4Å
218P90.3Very high87.7Confident60 Ų6063.8 Ų63.839%0.3937%0.372SS..  trans-63.9141.3174.327.9-33.8000110.5V210 L211V210-P218 HydrophobicContact CG1-CB 3.73Å; L211-P218 WeakPolarHBondContact O-CA 3.35Å
219V91.2Very high87.9Confident43 Ų4360.2 Ų60.226%0.26136%0.357SS..EExtended strand (participates in β ladder)trans-90.1114.1175.3-1790000108.2L211 Y215 M221 T257L211-V219 HydrophobicContact CB-CB 4.34Å; L211-V219 PolarHBondContact N-O 3.48Å; L211-V219 PolarHBondContact O-N 3.27Å; Y215-V219 HydrophobicContact CD2-CG2 3.86Å; Y215-V219 HydrophobicContact CE2-CG2 4.45Å; V219-M221 HydrophobicContact CG1-CG 4.28Å; V219-T257 HydrophobicContact CG1-CG2 4Å
220E90.1Very high88Confident99 Ų9963.8 Ų63.846%0.46337%0.373SS..EExtended strand (participates in β ladder)trans-92.3133174.3-61-174.8-17100110.4K208 L209 V210K208-E220 IonicContact NZ-OE2 3.99Å; K208-E220 PolarHBondContact NZ-OE2 3.43Å; L209-E220 CarbonylContact O-C 3.59Å; L209-E220 WeakPolarHBondContact O-CA 3.33Å; V210-E220 HydrophobicContact CG2-CG 4.32Å
221M87Confident88Confident27 Ų2765.3 Ų65.313%0.13338%0.382CS..EExtended strand (participates in β ladder)trans-127.9132.6175.2-61.6-176.870.400109.8K208 L209 L211 V219 L250 K253 I254 T257K208-M221 CarbonylContact C-O 3.53Å; K208-M221 WeakPolarHBondContact CA-O 3.5Å; L209-M221 HydrophobicContact CB-CB 4.49Å; L209-M221 PolarHBondContact N-O 2.94Å; L209-M221 PolarHBondContact O-N 3.06Å; L211-M221 HydrophobicContact CD1-SD 4.01Å; V219-M221 HydrophobicContact CG1-CG 4.28Å; M221-L250 HydrophobicContact CE-CD1 4.11Å; M221-K253 HydrophobicContact CE-CB 3.57Å; M221-I254 HydrophobicContact CE-CG1 3.9Å; M221-I254 HydrophobicContact SD-CB 4.4Å; M221-I254 HydrophobicContact SD-CG1 3.67Å; M221-T257 HydrophobicContact SD-CG2 4.04Å
222V86.9Confident87.9Confident96 Ų9668.9 Ų68.958%0.58241%0.406SS*.EExtended strand (participates in β ladder)trans-90.3133174.8-174.30000108.7K208K208-V222 HydrophobicContact CG-CG2 4.3Å
223A82.9Confident87.8Confident27 Ų2769.8 Ų69.822%0.22342%0.415CS..PPolyproline II helixtrans-67.2128172.300000110.1S207 I229S207-A223 PolarHBondContact O-N 2.82Å; A223-I229 HydrophobicContact CB-CD1 3.85Å; A223-I229 HydrophobicContact CB-CG1 4.1Å
224P82.1Confident87.8Confident54 Ų5474.9 Ų74.935%0.35144%0.442SS..PPolyproline II helixtrans-68165.217231.4-34.2000110.8V227 V246 L250P224-V227 HydrophobicContact CG-CB 4.26Å; P224-V227 HydrophobicContact CG-CG2 4.22Å; P224-V227 PolarHBondContact O-N 3.43Å; P224-V246 HydrophobicContact CB-CG1 4.26Å; P224-V246 HydrophobicContact CG-CG1 3.68Å; P224-L250 HydrophobicContact CG-CD2 4.48Å
225E79.8Confident88.2Confident193 Ų19374.7 Ų74.790%0.90243%0.428SS*.THydrogen-bonded Turntrans-57.3139.5179.1-63.4-174.3169.700112.2V227E225-V227 VanDerWaalsContact C-N 3.29Å; E225-V227 PolarHBondContact O-N 3.38Å
226G80.5Confident88.5Confident59 Ų5972.9 Ų72.961%0.60842%0.423SS*.THydrogen-bonded Turntrans77.73.5178.500000115.8
227V87.2Confident88.7Confident12 Ų1267 Ų677%0.07338%0.382CS..EExtended strand (participates in β ladder)trans-118.9130.4176.8-177.90000111P224 E225 V239 K240 V246 V247 L250P224-V227 HydrophobicContact CG-CB 4.26Å; P224-V227 HydrophobicContact CG-CG2 4.22Å; P224-V227 PolarHBondContact O-N 3.43Å; E225-V227 VanDerWaalsContact C-N 3.29Å; E225-V227 PolarHBondContact O-N 3.38Å; V227-V239 HydrophobicContact CG1-CG1 3.38Å; V227-K240 CarbonylContact C-O 3.59Å; V227-K240 WeakPolarHBondContact CA-O 3.39Å; V227-K240 WeakPolarHBondContact CG1-O 3.43Å; V227-V246 HydrophobicContact CG2-CB 4.12Å; V227-V246 HydrophobicContact CG2-CG1 3.56Å; V227-V247 HydrophobicContact CG1-CG2 4.43Å; V227-V247 HydrophobicContact CG2-CG2 4.14Å; V227-L250 HydrophobicContact CB-CD2 4.41Å; V227-L250 HydrophobicContact CG1-CD2 3.57Å
228T89.2Confident89Confident85 Ų8560.9 Ų60.952%0.52136%0.356SS..EExtended strand (participates in β ladder)trans-106.8132.9176.3-50.70000109.7K240T228-K240 PolarHBondContact N-O 3.42Å; T228-K240 PolarHBondContact O-N 3.38Å
229I91.8Very high89.2Confident9 Ų958 Ų585%0.04634%0.337CS..EExtended strand (participates in β ladder)trans-106.2123.9174.7-54.5174.3000108.2L204 L209 A223 I237 L250L204-I229 HydrophobicContact CD1-CB 4.26Å; L204-I229 HydrophobicContact CD1-CG2 4.37Å; L209-I229 HydrophobicContact CB-CD1 3.87Å; L209-I229 HydrophobicContact CB-CG2 4.47Å; L209-I229 HydrophobicContact CD1-CG2 4.11Å; L209-I229 HydrophobicContact CD2-CD1 4.19Å; L209-I229 HydrophobicContact CD2-CG2 4.19Å; L209-I229 HydrophobicContact CG-CG2 4.49Å; A223-I229 HydrophobicContact CB-CD1 3.85Å; A223-I229 HydrophobicContact CB-CG1 4.1Å; I229-I237 HydrophobicContact CG2-CG2 3.79Å; I229-L250 HydrophobicContact CD1-CD2 3.92Å; I229-L250 HydrophobicContact CG1-CD2 3.96Å
230E92Very high89.2Confident75 Ų7559.2 Ų59.235%0.3534%0.339SS..EExtended strand (participates in β ladder)trans-112.1145.4171.7-69.5175-16400109.9V238 K240E230-V238 HydrophobicContact CB-CB 4.37Å; E230-V238 PolarHBondContact N-O 3.23Å; E230-V238 PolarHBondContact O-N 3.42Å; E230-K240 WeakPolarHBondContact OE1-CE 3.5Å; E230-K240 IonicContact OE1-NZ 2.77Å; E230-K240 PolarHBondContact OE1-NZ 3.06Å; E230-K240 VanDerWaalsContact OE2-CE 3.23Å; E230-K240 WeakPolarHBondContact OE2-CE 3.26Å; E230-K240 IonicContact OE2-NZ 3.1Å; E230-K240 PolarHBondContact OE2-NZ 3.2Å
231V92.4Very high89.3Confident36 Ų3655.2 Ų55.222%0.21832%0.324CS..EExtended strand (participates in β ladder)trans-124.684175.5-177.70000108A202 L204 L209 S233 Q236 I237A202-V231 HydrophobicContact CB-CG1 4.07Å; A202-V231 HydrophobicContact CB-CG2 4.44Å; L204-V231 HydrophobicContact CB-CG2 4.3Å; L209-V231 HydrophobicContact CD1-CG2 3.93Å; V231-S233 VanDerWaalsContact CG1-O 3.22Å; V231-S233 WeakPolarHBondContact CG1-O 3.48Å; V231-S233 PolarHBondContact O-N 3.34Å; V231-Q236 WeakPolarHBondContact CA-O 3.33Å; V231-Q236 WeakPolarHBondContact CG1-O 3.39Å; V231-I237 HydrophobicContact CG2-CG1 4.49Å
232P90.4Very high89.4Confident76 Ų7654.8 Ų54.849%0.49432%0.323SS..EExtended strand (participates in β ladder)trans-65-27.2-177.8-2233.8000113.3Q236 V238P232-Q236 WeakPolarHBondContact CD-O 3.36Å; P232-V238 HydrophobicContact CG-CG2 3.85Å
233S90.5Very high89.6Confident55 Ų5552.4 Ų52.439%0.38531%0.308SS..EExtended strand (participates in β ladder)trans-145.5154178.1-62.20000108.5V231 T235 Q236V231-S233 VanDerWaalsContact CG1-O 3.22Å; V231-S233 WeakPolarHBondContact CG1-O 3.48Å; V231-S233 PolarHBondContact O-N 3.34Å; S233-T235 PolarHBondContact O-N 2.65Å; S233-Q236 PolarHBondContact O-N 3.24Å
234N90Very high90Very high108 Ų10855.5 Ų55.558%0.57832%0.316SS*.THydrogen-bonded Turntrans-56.4-21-179.3-69.3-16.2000113.4R201 A202R201-N234 CarbonylContact C-O 3.58Å; R201-N234 VanDerWaalsContact CA-O 3.23Å; R201-N234 WeakPolarHBondContact CA-O 3.42Å; R201-N234 HydrophobicContact CB-CB 4.33Å; A202-N234 PolarHBondContact N-O 3.47Å
235T91.9Very high90.4Very high62 Ų6257.3 Ų57.338%0.3832%0.319SS..THydrogen-bonded Turntrans-105.93.8178.5550000114E194 L195 S233E194-T235 CarbonylContact C-O 3.52Å; E194-T235 WeakPolarHBondContact CA-O 3.31Å; L195-T235 WeakPolarHBondContact CD1-O 3.16Å; L195-T235 PolarHBondContact N-O 2.78Å; S233-T235 PolarHBondContact O-N 2.65Å
236Q93.9Very high91Very high81 Ų8149.9 Ų49.938%0.37929%0.288SS..EExtended strand (participates in β ladder)trans-129.6133.2-177-65.2-175.61.700111.4L193 V231 P232 S233L193-Q236 WeakPolarHBondContact O-CA 3.23Å; V231-Q236 WeakPolarHBondContact CA-O 3.33Å; V231-Q236 WeakPolarHBondContact CG1-O 3.39Å; P232-Q236 WeakPolarHBondContact CD-O 3.36Å; S233-Q236 PolarHBondContact O-N 3.24Å
237I93.6Very high91.6Very high0 Ų047.1 Ų47.10%026%0.259CS..EExtended strand (participates in β ladder)trans-123.5133176.9-56.4165.5000108.1A192 L193 L195 A202 L209 L211 I229 V231 V239 I254A192-I237 CarbonylContact C-O 3.53Å; A192-I237 WeakPolarHBondContact CA-O 3.41Å; L193-I237 HydrophobicContact CB-CB 4.3Å; L193-I237 PolarHBondContact N-O 3.25Å; L193-I237 PolarHBondContact O-N 3.33Å; L195-I237 HydrophobicContact CD1-CD1 3.68Å; L195-I237 HydrophobicContact CD1-CG1 3.86Å; A202-I237 HydrophobicContact CB-CD1 3.68Å; A202-I237 HydrophobicContact CB-CG1 3.57Å; L209-I237 HydrophobicContact CD1-CD1 4.34Å; L209-I237 HydrophobicContact CD2-CD1 4.17Å; L209-I237 HydrophobicContact CD2-CG2 4.38Å; L211-I237 HydrophobicContact CD2-CD1 3.53Å; I229-I237 HydrophobicContact CG2-CG2 3.79Å; V231-I237 HydrophobicContact CG2-CG1 4.49Å; I237-V239 HydrophobicContact CG2-CG2 4.35Å; I237-I254 HydrophobicContact CD1-CG2 3.95Å; I237-I254 HydrophobicContact CG2-CD1 4.48Å
238V95.1Very high91.9Very high22 Ų2247.8 Ų47.813%0.13327%0.268CS..EExtended strand (participates in β ladder)trans-119.4116174.7-175.80000108.5A192 E230 P232 K240A192-V238 HydrophobicContact CB-CG2 4.32Å; E230-V238 HydrophobicContact CB-CB 4.37Å; E230-V238 PolarHBondContact N-O 3.23Å; E230-V238 PolarHBondContact O-N 3.42Å; P232-V238 HydrophobicContact CG-CG2 3.85Å; V238-K240 HydrophobicContact CG1-CG 4.01Å
239V93.8Very high92.1Very high0 Ų048.6 Ų48.60%027%0.266CS..EExtended strand (participates in β ladder)trans-95.4122.8174.3-176.20000108.5Q190 K191 V227 I237 V247 L250 A251 I254Q190-V239 CarbonylContact C-O 3.59Å; Q190-V239 VanDerWaalsContact CA-O 3.23Å; Q190-V239 WeakPolarHBondContact CA-O 3.47Å; K191-V239 PolarHBondContact N-O 2.81Å; K191-V239 PolarHBondContact O-N 3.27Å; V227-V239 HydrophobicContact CG1-CG1 3.38Å; I237-V239 HydrophobicContact CG2-CG2 4.35Å; V239-V247 HydrophobicContact CB-CG1 4.46Å; V239-V247 HydrophobicContact CG1-CG1 4.03Å; V239-L250 HydrophobicContact CG1-CB 4.41Å; V239-L250 HydrophobicContact CG1-CD2 3.8Å; V239-L250 HydrophobicContact CG1-CG 4.38Å; V239-A251 HydrophobicContact CG2-CB 4.41Å; V239-I254 HydrophobicContact CG2-CD1 3.84Å
240K92.8Very high92.2Very high68 Ų6848.6 Ų48.630%0.29627%0.266SS..EExtended strand (participates in β ladder)trans-120.4145.5179.5-61-177.4-176.2167.70111F189 Q190 V227 T228 E230 V238F189-K240 CarbonylContact O-C 3.6Å; F189-K240 VanDerWaalsContact O-CA 3.31Å; F189-K240 WeakPolarHBondContact O-CA 3.48Å; Q190-K240 HydrophobicContact CB-CG 4.2Å; V227-K240 CarbonylContact C-O 3.59Å; V227-K240 WeakPolarHBondContact CA-O 3.39Å; V227-K240 WeakPolarHBondContact CG1-O 3.43Å; T228-K240 PolarHBondContact N-O 3.42Å; T228-K240 PolarHBondContact O-N 3.38Å; E230-K240 WeakPolarHBondContact OE1-CE 3.5Å; E230-K240 IonicContact OE1-NZ 2.77Å; E230-K240 PolarHBondContact OE1-NZ 3.06Å; E230-K240 VanDerWaalsContact OE2-CE 3.23Å; E230-K240 WeakPolarHBondContact OE2-CE 3.26Å; E230-K240 IonicContact OE2-NZ 3.1Å; E230-K240 PolarHBondContact OE2-NZ 3.2Å; V238-K240 HydrophobicContact CG1-CG 4.01Å
241G91.7Very high92.3Very high14 Ų1445 Ų4514%0.14425%0.249CC..EExtended strand (participates in β ladder)trans179.8169.1174.200000113.1F189 V247F189-G241 PolarHBondContact N-O 2.91Å; F189-G241 PolarHBondContact O-N 2.98Å; G241-V247 VanDerWaalsContact CA-CG2 3.48Å
242S88.8Confident92.4Very high18 Ų1845.7 Ų45.713%0.12626%0.258CS..SBendtrans-79.6-36.3179.356.90000112.5G184 F189G184-S242 CarbonylContact C-O 3.6Å; G184-S242 WeakPolarHBondContact CA-O 3.27Å; G184-S242 WeakPolarHBondContact O-CA 3.46Å; F189-S242 VanDerWaalsContact CD2-O 3.31Å; F189-S242 WeakPolarHBondContact CD2-O 3.31Å; F189-S242 WeakPolarHBondContact CE2-O 3.11Å
243N91.2Very high92.5Very high47 Ų4747.4 Ų47.425%0.25126%0.258SS..  trans-89.1115.4179.4-169.1-22.9000111.9L139 E245 V246 V247L139-N243 HydrophobicContact CD2-CB 3.9Å; N243-E245 VanDerWaalsContact C-N 3.27Å; N243-E245 PolarHBondContact O-N 3.24Å; N243-E245 WeakPolarHBondContact OD1-CB 3.45Å; N243-E245 PolarHBondContact OD1-N 2.87Å; N243-V246 HydrophobicContact CB-CB 4.21Å; N243-V246 HydrophobicContact CB-CG2 3.92Å; N243-V246 PolarHBondContact O-N 3.36Å; N243-V247 WeakPolarHBondContact O-CB 3.49Å; N243-V247 VanDerWaalsContact O-CG2 3.28Å; N243-V247 WeakPolarHBondContact O-CG2 3.44Å; N243-V247 PolarHBondContact O-N 3.02Å
244K90.4Very high92.6Very high92 Ų9244.8 Ų44.840%0.424%0.24SC..Hα-helixtrans-57.1-37.5177.3-166.1176-177.5173.80113.5N180 F189 G248N180-K244 HydrophobicContact CB-CD 4.23Å; N180-K244 VanDerWaalsContact OD1-CD 3.31Å; N180-K244 WeakPolarHBondContact OD1-CD 3.34Å; N180-K244 PolarHBondContact OD1-NZ 2.85Å; F189-K244 HydrophobicContact CD1-CB 4.36Å; F189-K244 HydrophobicContact CD1-CD 4.31Å; F189-K244 HydrophobicContact CD1-CG 4.11Å; F189-K244 HydrophobicContact CD2-CB 3.62Å; F189-K244 HydrophobicContact CD2-CG 4.25Å; F189-K244 HydrophobicContact CE1-CB 4.34Å; F189-K244 HydrophobicContact CE1-CD 3.92Å; F189-K244 HydrophobicContact CE1-CG 4.17Å; F189-K244 HydrophobicContact CE2-CB 3.58Å; F189-K244 HydrophobicContact CE2-CD 4.48Å; F189-K244 HydrophobicContact CE2-CG 4.3Å; F189-K244 HydrophobicContact CG-CB 4.01Å; F189-K244 HydrophobicContact CG-CG 4.14Å; F189-K244 HydrophobicContact CZ-CB 3.97Å; F189-K244 HydrophobicContact CZ-CD 4.01Å; F189-K244 HydrophobicContact CZ-CG 4.27Å; K244-G248 PolarHBondContact O-N 3.41Å
245E91.5Very high92.8Very high91 Ų9143 Ų4343%0.42523%0.225SC..Hα-helixtrans-68.6-49.2-177.6-63.4176.4173.200110.1R141 N243 G248 E249R141-E245 IonicContact CZ-OE1 4Å; R141-E245 IonicContact CZ-OE2 2.59Å; R141-E245 IonicContact NH1-OE1 3.12Å; R141-E245 PolarHBondContact NH1-OE1 2.97Å; R141-E245 IonicContact NH1-OE2 2.74Å; R141-E245 IonicContact NH2-OE1 3.11Å; R141-E245 PolarHBondContact NH2-OE1 2.89Å; R141-E245 IonicContact NH2-OE2 2.67Å; N243-E245 VanDerWaalsContact C-N 3.27Å; N243-E245 PolarHBondContact O-N 3.24Å; N243-E245 WeakPolarHBondContact OD1-CB 3.45Å; N243-E245 PolarHBondContact OD1-N 2.87Å; E245-G248 PolarHBondContact O-N 3.4Å; E245-E249 VanDerWaalsContact O-CB 3.31Å; E245-E249 WeakPolarHBondContact O-CB 3.41Å; E245-E249 PolarHBondContact O-N 3.48Å
246V91.9Very high92.7Very high38 Ų3842.6 Ų42.623%0.2323%0.232CC..Hα-helixtrans-67-42.3-179.6-1720000111.4P224 V227 N243 G248 E249 L250P224-V246 HydrophobicContact CB-CG1 4.26Å; P224-V246 HydrophobicContact CG-CG1 3.68Å; V227-V246 HydrophobicContact CG2-CB 4.12Å; V227-V246 HydrophobicContact CG2-CG1 3.56Å; N243-V246 HydrophobicContact CB-CB 4.21Å; N243-V246 HydrophobicContact CB-CG2 3.92Å; N243-V246 PolarHBondContact O-N 3.36Å; V246-G248 VanDerWaalsContact C-N 3.34Å; V246-G248 PolarHBondContact O-N 3.01Å; V246-E249 PolarHBondContact O-N 2.78Å; V246-L250 WeakPolarHBondContact O-CB 3.35Å; V246-L250 PolarHBondContact O-N 3.1Å
247V93.4Very high92.6Very high1 Ų139.7 Ų39.71%0.00622%0.221CC..Hα-helixtrans-61-44.1174.2169.80000110.9F189 K191 V227 V239 G241 N243 A251F189-V247 HydrophobicContact CB-CG1 4.42Å; K191-V247 HydrophobicContact CB-CG1 4.29Å; K191-V247 HydrophobicContact CG-CG1 3.96Å; V227-V247 HydrophobicContact CG1-CG2 4.43Å; V227-V247 HydrophobicContact CG2-CG2 4.14Å; V239-V247 HydrophobicContact CB-CG1 4.46Å; V239-V247 HydrophobicContact CG1-CG1 4.03Å; G241-V247 VanDerWaalsContact CA-CG2 3.48Å; N243-V247 WeakPolarHBondContact O-CB 3.49Å; N243-V247 VanDerWaalsContact O-CG2 3.28Å; N243-V247 WeakPolarHBondContact O-CG2 3.44Å; N243-V247 PolarHBondContact O-N 3.02Å; V247-A251 WeakPolarHBondContact O-CB 3.47Å; V247-A251 PolarHBondContact O-N 3.28Å
248G94.4Very high92.5Very high26 Ų2644.5 Ų44.527%0.26824%0.239SC..Hα-helixtrans-65.4-44.4177.900000112.8K244 E245 V246 A251 A252K244-G248 PolarHBondContact O-N 3.41Å; E245-G248 PolarHBondContact O-N 3.4Å; V246-G248 VanDerWaalsContact C-N 3.34Å; V246-G248 PolarHBondContact O-N 3.01Å; G248-A251 PolarHBondContact O-N 2.78Å; G248-A252 VanDerWaalsContact O-CB 3.26Å; G248-A252 WeakPolarHBondContact O-CB 3.36Å; G248-A252 PolarHBondContact O-N 2.77Å
249E93.6Very high92.4Very high102 Ų10246.3 Ų46.348%0.47725%0.251SS..Hα-helixtrans-63.8-45.6178.5-170.7-171.2165.700111.3E245 V246 A252 K253E245-E249 VanDerWaalsContact O-CB 3.31Å; E245-E249 WeakPolarHBondContact O-CB 3.41Å; E245-E249 PolarHBondContact O-N 3.48Å; V246-E249 PolarHBondContact O-N 2.78Å; E249-A252 PolarHBondContact O-N 2.91Å; E249-K253 HydrophobicContact CG-CD 4.35Å; E249-K253 WeakPolarHBondContact O-CB 3.48Å; E249-K253 WeakPolarHBondContact O-CG 3.42Å; E249-K253 PolarHBondContact O-N 2.94Å; E249-K253 WeakPolarHBondContact OE1-CE 3.3Å; E249-K253 IonicContact OE1-NZ 3.18Å; E249-K253 PolarHBondContact OE1-NZ 2.93Å
250L92.7Very high92.3Very high9 Ų947.1 Ų47.15%0.04726%0.256CS..Hα-helixtrans-63.1-45.6177-177.462.8000111.2M221 P224 V227 I229 V239 V246 A252 K253 I254M221-L250 HydrophobicContact CE-CD1 4.11Å; P224-L250 HydrophobicContact CG-CD2 4.48Å; V227-L250 HydrophobicContact CB-CD2 4.41Å; V227-L250 HydrophobicContact CG1-CD2 3.57Å; I229-L250 HydrophobicContact CD1-CD2 3.92Å; I229-L250 HydrophobicContact CG1-CD2 3.96Å; V239-L250 HydrophobicContact CG1-CB 4.41Å; V239-L250 HydrophobicContact CG1-CD2 3.8Å; V239-L250 HydrophobicContact CG1-CG 4.38Å; V246-L250 WeakPolarHBondContact O-CB 3.35Å; V246-L250 PolarHBondContact O-N 3.1Å; L250-A252 VanDerWaalsContact C-N 3.29Å; L250-A252 PolarHBondContact O-N 2.84Å; L250-K253 PolarHBondContact O-N 2.8Å; L250-I254 HydrophobicContact CD1-CD1 4.42Å; L250-I254 HydrophobicContact CG-CD1 4.05Å; L250-I254 VanDerWaalsContact O-CG1 3.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.47Å; L250-I254 PolarHBondContact O-N 3.4Å
251A94.2Very high92.1Very high0 Ų046 Ų460%025%0.252CS..Hα-helixtrans-62.9-37.5177.100000111.9K191 L193 V239 V247 G248 I254 R255 Y270K191-A251 HydrophobicContact CB-CB 3.88Å; K191-A251 HydrophobicContact CG-CB 4.36Å; L193-A251 HydrophobicContact CD1-CB 4.21Å; V239-A251 HydrophobicContact CG2-CB 4.41Å; V247-A251 WeakPolarHBondContact O-CB 3.47Å; V247-A251 PolarHBondContact O-N 3.28Å; G248-A251 PolarHBondContact O-N 2.78Å; A251-I254 PolarHBondContact O-N 2.74Å; A251-R255 WeakPolarHBondContact O-CB 3.32Å; A251-R255 PolarHBondContact O-N 2.77Å; A251-Y270 HydrophobicContact CB-CE1 3.97Å
252A94Very high91.8Very high49 Ų4948.1 Ų48.141%0.40526%0.263SS..Hα-helixtrans-67.2-40.1174.400000112.3G248 E249 L250 R255 G256 Y270G248-A252 VanDerWaalsContact O-CB 3.26Å; G248-A252 WeakPolarHBondContact O-CB 3.36Å; G248-A252 PolarHBondContact O-N 2.77Å; E249-A252 PolarHBondContact O-N 2.91Å; L250-A252 VanDerWaalsContact C-N 3.29Å; L250-A252 PolarHBondContact O-N 2.84Å; A252-R255 PolarHBondContact O-N 3.43Å; A252-G256 PolarHBondContact O-N 3.19Å; A252-Y270 WeakPolarHBondContact CA-OH 3.41Å; A252-Y270 PolarHBondContact N-OH 2.9Å
253K93.4Very high91.5Very high112 Ų11253.3 Ų53.349%0.48728%0.281SS..Hα-helixtrans-62.2-45.1173.4-75.8172.4173164.90111.3M221 E249 L250 G256 T257M221-K253 HydrophobicContact CE-CB 3.57Å; E249-K253 HydrophobicContact CG-CD 4.35Å; E249-K253 WeakPolarHBondContact O-CB 3.48Å; E249-K253 WeakPolarHBondContact O-CG 3.42Å; E249-K253 PolarHBondContact O-N 2.94Å; E249-K253 WeakPolarHBondContact OE1-CE 3.3Å; E249-K253 IonicContact OE1-NZ 3.18Å; E249-K253 PolarHBondContact OE1-NZ 2.93Å; L250-K253 PolarHBondContact O-N 2.8Å; K253-G256 PolarHBondContact O-N 3.4Å; K253-T257 PolarHBondContact O-N 3.2Å; K253-T257 VanDerWaalsContact O-N 3.15Å
254I93.4Very high91.1Very high0 Ų057.5 Ų57.50%030%0.297CS..Hα-helixtrans-60.3-47.8175.7-66.5164.6000110.3L193 L209 L211 M221 I237 V239 L250 A251 G256 T257 V268L193-I254 HydrophobicContact CD1-CB 3.81Å; L193-I254 HydrophobicContact CD1-CD1 4.23Å; L193-I254 HydrophobicContact CD1-CG2 3.57Å; L209-I254 HydrophobicContact CD2-CD1 3.57Å; L209-I254 HydrophobicContact CD2-CG1 3.88Å; L211-I254 HydrophobicContact CD1-CG2 3.97Å; M221-I254 HydrophobicContact CE-CG1 3.9Å; M221-I254 HydrophobicContact SD-CB 4.4Å; M221-I254 HydrophobicContact SD-CG1 3.67Å; I237-I254 HydrophobicContact CD1-CG2 3.95Å; I237-I254 HydrophobicContact CG2-CD1 4.48Å; V239-I254 HydrophobicContact CG2-CD1 3.84Å; L250-I254 HydrophobicContact CD1-CD1 4.42Å; L250-I254 HydrophobicContact CG-CD1 4.05Å; L250-I254 VanDerWaalsContact O-CG1 3.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.47Å; L250-I254 PolarHBondContact O-N 3.4Å; A251-I254 PolarHBondContact O-N 2.74Å; I254-G256 VanDerWaalsContact C-N 3.31Å; I254-G256 PolarHBondContact O-N 2.95Å; I254-T257 WeakPolarHBondContact O-CB 3.22Å; I254-T257 PolarHBondContact O-N 3.49Å; I254-T257 PolarHBondContact O-OG1 3.22Å; I254-V268 HydrophobicContact CG2-CG1 4.13Å
255R93.2Very high90.8Very high72 Ų7253.2 Ų53.227%0.27228%0.279SS..Hα-helixtrans-61.2-39.3174.6178.2173178.6-74.51.7112.5L193 A251 A252 T257 R258 V268 E273L193-R255 HydrophobicContact CD2-CB 4.35Å; A251-R255 WeakPolarHBondContact O-CB 3.32Å; A251-R255 PolarHBondContact O-N 2.77Å; A252-R255 PolarHBondContact O-N 3.43Å; R255-T257 PolarHBondContact O-N 2.9Å; R255-R258 CarbonylContact O-C 3.47Å; R255-R258 VanDerWaalsContact O-C 3.25Å; R255-R258 PolarHBondContact O-N 3.44Å; R255-V268 WeakPolarHBondContact CG-O 3.35Å; R255-E273 IonicContact CZ-OE1 2.72Å; R255-E273 IonicContact NE-OE1 3.78Å; R255-E273 PolarHBondContact NE-OE1 2.78Å; R255-E273 IonicContact NE-OE2 2.69Å; R255-E273 PolarHBondContact NE-OE2 3.04Å; R255-E273 IonicContact NH2-OE1 3.54Å; R255-E273 PolarHBondContact NH2-OE1 2.89Å; R255-E273 IonicContact NH2-OE2 2.88Å
256G90.7Very high90.7Very high52 Ų5252 Ų5254%0.53627%0.273SS..Hα-helixtrans-63.4-23.6179.200000113.8A252 K253 I254 R258A252-G256 PolarHBondContact O-N 3.19Å; K253-G256 PolarHBondContact O-N 3.4Å; I254-G256 VanDerWaalsContact C-N 3.31Å; I254-G256 PolarHBondContact O-N 2.95Å; G256-R258 VanDerWaalsContact C-N 3.3Å; G256-R258 PolarHBondContact O-N 2.92Å
257T91.4Very high90.7Very high21 Ų2150.2 Ų50.213%0.12926%0.262CS..Hα-helixtrans-57.5-44.3174.462.60000111.4L211 Y215 V219 M221 K253 I254 R255L211-T257 HydrophobicContact CD1-CG2 4.13Å; Y215-T257 WeakPolarHBondContact CE2-O 3.2Å; Y215-T257 PolarHBondContact OH-O 3.15Å; V219-T257 HydrophobicContact CG1-CG2 4Å; M221-T257 HydrophobicContact SD-CG2 4.04Å; K253-T257 PolarHBondContact O-N 3.2Å; K253-T257 VanDerWaalsContact O-N 3.15Å; I254-T257 WeakPolarHBondContact O-CB 3.22Å; I254-T257 PolarHBondContact O-N 3.49Å; I254-T257 PolarHBondContact O-OG1 3.22Å; R255-T257 PolarHBondContact O-N 2.9Å
258R91.5Very high90.7Very high101 Ų10150.2 Ų50.238%0.38126%0.261SS..SBendtrans-150.791.7174.7-16970.8179.3130.80.7109.9V213 R255 G256 G267 V268V213-R258 HydrophobicContact CB-CB 4.17Å; V213-R258 HydrophobicContact CG2-CB 4.07Å; R255-R258 CarbonylContact O-C 3.47Å; R255-R258 VanDerWaalsContact O-C 3.25Å; R255-R258 PolarHBondContact O-N 3.44Å; G256-R258 VanDerWaalsContact C-N 3.3Å; G256-R258 PolarHBondContact O-N 2.92Å; R258-G267 WeakPolarHBondContact O-CA 3.28Å; R258-V268 PolarHBondContact O-N 3.13Å
259P92.4Very high90.7Very high59 Ų5951.6 Ų51.638%0.38326%0.259SS..PPolyproline II helixtrans-64.6156.3178.227.5-34.8000111.1E261P259-E261 PolarHBondContact O-N 3.39Å
260P92.1Very high90.8Very high18 Ų1850 Ų5012%0.11725%0.249CC..PPolyproline II helixtrans-63.6128179.626.3-32.5000111K266 V268 R269 V275P260-K266 CarbonylContact C-O 3.54Å; P260-K266 VanDerWaalsContact CA-O 3.32Å; P260-K266 WeakPolarHBondContact CA-O 3.48Å; P260-V268 WeakPolarHBondContact CD-O 3.48Å; P260-R269 HydrophobicContact CB-CB 4.44Å; P260-R269 HydrophobicContact CG-CB 4.28Å; P260-V275 HydrophobicContact CB-CG1 4.2Å; P260-V275 HydrophobicContact CB-CG2 3.82Å; P260-V275 HydrophobicContact CG-CG2 3.96Å
261E88.2Confident90.8Very high44 Ų4453.9 Ų53.921%0.20627%0.272CS..PPolyproline II helixtrans-67.9142.9178.651150.7147.600112.1P259 Y263 K264 G265 K266P259-E261 PolarHBondContact O-N 3.39Å; E261-Y263 PolarHBondContact O-N 3.48Å; E261-Y263 VanDerWaalsContact O-N 3.15Å; E261-K264 VanDerWaalsContact OE1-CB 3.28Å; E261-K264 WeakPolarHBondContact OE1-CB 3.47Å; E261-K264 PolarHBondContact OE2-N 3.28Å; E261-G265 WeakPolarHBondContact O-CA 3.5Å; E261-G265 PolarHBondContact O-N 3.23Å; E261-K266 HydrophobicContact CG-CB 3.87Å; E261-K266 VanDerWaalsContact CG-O 3.28Å; E261-K266 WeakPolarHBondContact CG-O 3.13Å; E261-K266 PolarHBondContact N-O 2.95Å; E261-K266 VanDerWaalsContact OE1-CB 3.27Å; E261-K266 WeakPolarHBondContact OE1-CB 3.39Å; E261-K266 WeakPolarHBondContact OE1-CD 3.32Å; E261-K266 VanDerWaalsContact OE1-CG 3.25Å; E261-K266 WeakPolarHBondContact OE1-CG 3.48Å
262P85.7Confident90.5Very high59 Ų5957.5 Ų57.538%0.38331%0.31SS..THydrogen-bonded Turntrans-65.5-14.5179.6-22.333.4000115.1R277 K278P262-R277 CarbonylContact O-C 2.98Å; P262-R277 WeakPolarHBondContact O-CA 3.18Å; P262-K278 HydrophobicContact CB-CB 4.44Å; P262-K278 HydrophobicContact CB-CD 4.46Å; P262-K278 HydrophobicContact CB-CG 4.29Å; P262-K278 PolarHBondContact O-N 2.83Å
263Y82.6Confident90.3Very high126 Ų12657.4 Ų57.449%0.49430%0.301SS..THydrogen-bonded Turntrans-97.7-62-173.5-57.3-66.5000111.5E261 K278 G280E261-Y263 PolarHBondContact O-N 3.48Å; E261-Y263 VanDerWaalsContact O-N 3.15Å; Y263-K278 HydrophobicContact CD1-CB 4.1Å; Y263-K278 WeakPolarHBondContact CD1-O 3.34Å; Y263-K278 HydrophobicContact CE1-CB 3.82Å; Y263-G280 VanDerWaalsContact CD1-CA 3.49Å
264K82.3Confident90Very high135 Ų13561.4 Ų61.459%0.58732%0.315SS*.THydrogen-bonded Turntrans-99.6-3.4-180-45.6178.1175.4-179.40114E261 K266E261-K264 VanDerWaalsContact OE1-CB 3.28Å; E261-K264 WeakPolarHBondContact OE1-CB 3.47Å; E261-K264 PolarHBondContact OE2-N 3.28Å; K264-K266 HydrophobicContact CB-CD 4.48Å; K264-K266 HydrophobicContact CB-CG 4.13Å; K264-K266 PolarHBondContact O-N 3.49Å
265G84.9Confident89.6Confident3 Ų362.5 Ų62.53%0.03132%0.321CS..  trans68.515.3-176.600000114.8E261E261-G265 WeakPolarHBondContact O-CA 3.5Å; E261-G265 PolarHBondContact O-N 3.23Å
266K89.7Confident89.2Confident66 Ų6669 Ų6929%0.28735%0.346SS..  trans-72.2137.2176.7-58.9179-178.7-174.90111.1I196 P260 E261 K264I196-K266 CarbonylContact O-C 3.5Å; I196-K266 WeakPolarHBondContact O-CA 3.23Å; I196-K266 WeakPolarHBondContact O-CB 3.24Å; P260-K266 CarbonylContact C-O 3.54Å; P260-K266 VanDerWaalsContact CA-O 3.32Å; P260-K266 WeakPolarHBondContact CA-O 3.48Å; E261-K266 HydrophobicContact CG-CB 3.87Å; E261-K266 VanDerWaalsContact CG-O 3.28Å; E261-K266 WeakPolarHBondContact CG-O 3.13Å; E261-K266 PolarHBondContact N-O 2.95Å; E261-K266 VanDerWaalsContact OE1-CB 3.27Å; E261-K266 WeakPolarHBondContact OE1-CB 3.39Å; E261-K266 WeakPolarHBondContact OE1-CD 3.32Å; E261-K266 VanDerWaalsContact OE1-CG 3.25Å; E261-K266 WeakPolarHBondContact OE1-CG 3.48Å; K264-K266 HydrophobicContact CB-CD 4.48Å; K264-K266 HydrophobicContact CB-CG 4.13Å; K264-K266 PolarHBondContact O-N 3.49Å
267G91.9Very high88.7Confident0 Ų075 Ų750%035%0.352CS..EExtended strand (participates in β ladder)trans148.2-173.4-176.400000111I196 R258I196-G267 PolarHBondContact N-O 3.01Å; I196-G267 PolarHBondContact O-N 3.38Å; R258-G267 WeakPolarHBondContact O-CA 3.28Å
268V93.3Very high88.2Confident0 Ų080.9 Ų80.90%038%0.376CS..EExtended strand (participates in β ladder)trans-92.8122.6170.3-171.40000107.5L193 E194 L195 V213 I254 R255 R258 P260L193-V268 HydrophobicContact CB-CG1 4.27Å; L193-V268 HydrophobicContact CD2-CG1 4.34Å; E194-V268 WeakPolarHBondContact O-CA 3.28Å; L195-V268 HydrophobicContact CG-CG2 4.26Å; V213-V268 HydrophobicContact CG1-CG2 3.87Å; I254-V268 HydrophobicContact CG2-CG1 4.13Å; R255-V268 WeakPolarHBondContact CG-O 3.35Å; R258-V268 PolarHBondContact O-N 3.13Å; P260-V268 WeakPolarHBondContact CD-O 3.48Å
269R92.9Very high87.1Confident56 Ų5686 Ų8621%0.21140%0.404CS..EExtended strand (participates in β ladder)trans-130.8163.5-179.866.6177.1-172173.71.2111.1L193 E194 P260 E273L193-R269 CarbonylContact C-O 3.59Å; L193-R269 VanDerWaalsContact CA-O 3.27Å; L193-R269 WeakPolarHBondContact CA-O 3.46Å; E194-R269 HydrophobicContact CB-CG 4.34Å; E194-R269 PolarHBondContact N-O 3.16Å; E194-R269 PolarHBondContact O-N 2.93Å; E194-R269 IonicContact OE2-CZ 3.49Å; E194-R269 VanDerWaalsContact OE2-CZ 3.3Å; E194-R269 IonicContact OE2-NE 2.74Å; E194-R269 PolarHBondContact OE2-NE 3.49Å; E194-R269 IonicContact OE2-NH2 2.69Å; E194-R269 PolarHBondContact OE2-NH2 2.92Å; P260-R269 HydrophobicContact CB-CB 4.44Å; P260-R269 HydrophobicContact CG-CB 4.28Å; R269-E273 WeakPolarHBondContact CA-OE2 3.48Å; R269-E273 HydrophobicContact CB-CB 4.33Å
270Y95.4Very high85.1Confident68 Ų6884.7 Ų84.727%0.26740%0.402SS..EExtended strand (participates in β ladder)trans-73.2148.5169.1-61.1-77.4000110.8L193 A251 A252 G272 E273L193-Y270 HydrophobicContact CD2-CD1 3.37Å; L193-Y270 HydrophobicContact CD2-CE1 3.49Å; L193-Y270 VanDerWaalsContact CD2-CE1 3.49Å; L193-Y270 HydrophobicContact CD2-CG 3.99Å; L193-Y270 HydrophobicContact CG-CD1 4.24Å; L193-Y270 HydrophobicContact CG-CE1 4.37Å; A251-Y270 HydrophobicContact CB-CE1 3.97Å; A252-Y270 WeakPolarHBondContact CA-OH 3.41Å; A252-Y270 PolarHBondContact N-OH 2.9Å; Y270-G272 PolarHBondContact O-N 3.04Å; Y270-E273 WeakPolarHBondContact CD2-OE2 3.39Å; Y270-E273 PolarHBondContact N-OE2 2.79Å; Y270-E273 VanDerWaalsContact O-CB 3.24Å; Y270-E273 WeakPolarHBondContact O-CB 3.44Å; Y270-E273 PolarHBondContact O-N 2.89Å
271V93.2Very high82.7Confident90 Ų9093.4 Ų93.455%0.54544%0.441SS..THydrogen-bonded Turntrans-59.9123.1172.5177.20000108.8A192 E194A192-V271 HydrophobicContact CB-CB 4.21Å; A192-V271 HydrophobicContact CB-CG2 3.62Å; A192-V271 PolarHBondContact O-N 3.33Å; A192-V271 VanDerWaalsContact O-N 3.12Å; E194-V271 HydrophobicContact CB-CG2 4.37Å
272G88.4Confident80.3Confident77 Ų7794.8 Ų94.879%0.79447%0.467SS*.THydrogen-bonded Turntrans82.45.1-175.700000115.6Y270 Y274Y270-G272 PolarHBondContact O-N 3.04Å; G272-Y274 PolarHBondContact O-N 3.15Å
273E89.1Confident78Confident46 Ų4695.1 Ų95.122%0.21548%0.481CS..  trans-66118.7174.7-173.6178.5164.800111.1R255 R269 Y270 V275R255-E273 IonicContact CZ-OE1 2.72Å; R255-E273 IonicContact NE-OE1 3.78Å; R255-E273 PolarHBondContact NE-OE1 2.78Å; R255-E273 IonicContact NE-OE2 2.69Å; R255-E273 PolarHBondContact NE-OE2 3.04Å; R255-E273 IonicContact NH2-OE1 3.54Å; R255-E273 PolarHBondContact NH2-OE1 2.89Å; R255-E273 IonicContact NH2-OE2 2.88Å; R269-E273 WeakPolarHBondContact CA-OE2 3.48Å; R269-E273 HydrophobicContact CB-CB 4.33Å; Y270-E273 WeakPolarHBondContact CD2-OE2 3.39Å; Y270-E273 PolarHBondContact N-OE2 2.79Å; Y270-E273 VanDerWaalsContact O-CB 3.24Å; Y270-E273 WeakPolarHBondContact O-CB 3.44Å; Y270-E273 PolarHBondContact O-N 2.89Å; E273-V275 PolarHBondContact O-N 3.35Å
274Y88.1Confident76Confident196 Ų19692.5 Ų92.577%0.76948%0.478SS*.  trans-76.8107.4172.2-177.2-101.7000110.7G272 R276G272-Y274 PolarHBondContact O-N 3.15Å; Y274-R276 HydrophobicContact CD1-CG 4.28Å; Y274-R276 HydrophobicContact CE1-CG 3.97Å
275V85.2Confident73.9Confident23 Ų2391.7 Ų91.714%0.13949%0.487CS..  trans-88.6112.6176.8-1770000109P260 E273 R277P260-V275 HydrophobicContact CB-CG1 4.2Å; P260-V275 HydrophobicContact CB-CG2 3.82Å; P260-V275 HydrophobicContact CG-CG2 3.96Å; E273-V275 PolarHBondContact O-N 3.35Å; V275-R277 PolarHBondContact O-N 2.83Å; V275-R277 VanDerWaalsContact O-N 3.1Å
276R83.4Confident71.8Confident208 Ų208101.5 Ų101.579%0.78553%0.529SS*.  trans-63.3111.7172.5-69.6-176.7-179.7-175.3-0109.2Y274Y274-R276 HydrophobicContact CD1-CG 4.28Å; Y274-R276 HydrophobicContact CE1-CG 3.97Å
277R81.3Confident69.5Low180 Ų180102 Ų10268%0.67953%0.533SS*.  trans-82.6130.7175.4-65.8-176.2-178172.4-0.9110.1P262 V275P262-R277 CarbonylContact O-C 2.98Å; P262-R277 WeakPolarHBondContact O-CA 3.18Å; V275-R277 PolarHBondContact O-N 2.83Å; V275-R277 VanDerWaalsContact O-N 3.1Å
278K79.9Confident67.8Low144 Ų144106.6 Ų106.663%0.62656%0.561SS**  trans-87.9141.5166.7-73.6-170.9174.4-1740108.7P262 Y263 G280P262-K278 HydrophobicContact CB-CB 4.44Å; P262-K278 HydrophobicContact CB-CD 4.46Å; P262-K278 HydrophobicContact CB-CG 4.29Å; P262-K278 PolarHBondContact O-N 2.83Å; Y263-K278 HydrophobicContact CD1-CB 4.1Å; Y263-K278 WeakPolarHBondContact CD1-O 3.34Å; Y263-K278 HydrophobicContact CE1-CB 3.82Å; K278-G280 PolarHBondContact O-N 2.81Å
279E68.9Low66.2Low208 Ų208115.4 Ų115.497%0.97260%0.596SS**  trans-67.7101.6160-69.5-179172.400107.1
280G50.4Low65.2Low32 Ų32114 Ų11433%0.3359%0.592SS.*  trans-117127.9173.400000109.4Y263 K278 G282Y263-G280 VanDerWaalsContact CD1-CA 3.49Å; K278-G280 PolarHBondContact O-N 2.81Å; G280-G282 PolarHBondContact O-N 3.08Å
281E42.1Very low64.4Low200 Ų200114.6 Ų114.694%0.93560%0.6SS**THydrogen-bonded Turntrans28.388.7154.2-135.4178.4-170.300114.9G283E281-G283 VanDerWaalsContact C-N 3.25Å; E281-G283 PolarHBondContact O-N 3.29Å
282G38.3Very low63.5Low73 Ų73112.1 Ų112.175%0.75359%0.585SS**THydrogen-bonded Turntrans47.840.9145.800000116.3G280 T284G280-G282 PolarHBondContact O-N 3.08Å; G282-T284 PolarHBondContact O-N 3.4Å; G282-T284 VanDerWaalsContact O-N 3.08Å
283G37.2Very low63.2Low66 Ų66117.6 Ų117.668%0.6859%0.587SS**  trans-71.187.5142.100000104.3E281 P285E281-G283 VanDerWaalsContact C-N 3.25Å; E281-G283 PolarHBondContact O-N 3.29Å; G283-P285 VanDerWaalsContact O-N 3.11Å
284T40.6Very low62.7Low72 Ų72123.4 Ų123.444%0.44261%0.614SS.*  trans-45125.3-177.6-21.10000108G282 F286 M287G282-T284 PolarHBondContact O-N 3.4Å; G282-T284 VanDerWaalsContact O-N 3.08Å; T284-F286 PolarHBondContact O-N 2.8Å; T284-M287 WeakPolarHBondContact CB-SD 3.34Å; T284-M287 HydrophobicContact CG2-CB 4.46Å; T284-M287 HydrophobicContact CG2-CE 3.36Å; T284-M287 HydrophobicContact CG2-CG 3.61Å; T284-M287 HydrophobicContact CG2-SD 3.27Å; T284-M287 WeakPolarHBondContact CG2-SD 3.28Å; T284-M287 PolarHBondContact O-N 3.27Å; T284-M287 VanDerWaalsContact O-N 3.13Å; T284-M287 PolarHBondContact OG1-SD 2.84Å
285P38.1Very low62.4Low117 Ų117116.1 Ų116.176%0.7659%0.588SS**THydrogen-bonded Turntrans-50.5110.5-163.518.8-32.4000108.2G283 M287G283-P285 VanDerWaalsContact O-N 3.11Å; P285-M287 WeakPolarHBondContact O-CA 3.46Å; P285-M287 PolarHBondContact O-N 2.62Å
286F39.6Very low62.5Low209 Ų209123.6 Ų123.692%0.91762%0.622SS**THydrogen-bonded Turntrans13.466.1-169.3-93.6-89.5000110.3T284 V288T284-F286 PolarHBondContact O-N 2.8Å; F286-V288 PolarHBondContact O-N 3.29Å
287M42.2Very low62.9Low77 Ų77115.4 Ų115.438%0.37959%0.593SS.*  trans-52.5116.6-172-130.4171.4176.800104.3T284 P285 Y289 V358T284-M287 WeakPolarHBondContact CB-SD 3.34Å; T284-M287 HydrophobicContact CG2-CB 4.46Å; T284-M287 HydrophobicContact CG2-CE 3.36Å; T284-M287 HydrophobicContact CG2-CG 3.61Å; T284-M287 HydrophobicContact CG2-SD 3.27Å; T284-M287 WeakPolarHBondContact CG2-SD 3.28Å; T284-M287 PolarHBondContact O-N 3.27Å; T284-M287 VanDerWaalsContact O-N 3.13Å; T284-M287 PolarHBondContact OG1-SD 2.84Å; P285-M287 WeakPolarHBondContact O-CA 3.46Å; P285-M287 PolarHBondContact O-N 2.62Å; M287-Y289 VanDerWaalsContact C-N 3.32Å; M287-Y289 PolarHBondContact O-N 3.49Å; M287-V358 HydrophobicContact CE-CG2 3.81Å
288V55.5Low63.6Low97 Ų97111.3 Ų111.359%0.58858%0.582SS**  trans-52.2110.9176.8178.60000103.3F286 I290F286-V288 PolarHBondContact O-N 3.29Å; V288-I290 HydrophobicContact CB-CG1 4.42Å; V288-I290 HydrophobicContact CG1-CG1 4.13Å; V288-I290 WeakPolarHBondContact O-CG1 3.33Å; V288-I290 PolarHBondContact O-N 2.8Å
289Y61.1Low64.3Low184 Ų184108.6 Ų108.672%0.72258%0.575SS**  trans-72.793.7-177.8-179.7-94.8000104.9M287 D291M287-Y289 VanDerWaalsContact C-N 3.32Å; M287-Y289 PolarHBondContact O-N 3.49Å; Y289-D291 VanDerWaalsContact CE1-OD1 3.22Å; Y289-D291 WeakPolarHBondContact CE1-OD1 3.41Å; Y289-D291 PolarHBondContact O-N 3.11Å
290I71.7Confident65.6Low27 Ų27102.8 Ų102.814%0.13854%0.544CS..  trans-79110.6179.8-65.8152.7000106V288 P292 L295 L357V288-I290 HydrophobicContact CB-CG1 4.42Å; V288-I290 HydrophobicContact CG1-CG1 4.13Å; V288-I290 WeakPolarHBondContact O-CG1 3.33Å; V288-I290 PolarHBondContact O-N 2.8Å; I290-P292 WeakPolarHBondContact O-CD 3.25Å; I290-L295 HydrophobicContact CG2-CD1 3.27Å; I290-L295 HydrophobicContact CG2-CG 4.49Å; I290-L357 HydrophobicContact CB-CB 4.39Å; I290-L357 HydrophobicContact CD1-CB 4.26Å; I290-L357 HydrophobicContact CG2-CD1 4.13Å
291D77.7Confident67.7Low81 Ų81104 Ų10443%0.43355%0.545SS..  trans-65.7112.2176.6-92.8-53.4000110Y289 K293 H294Y289-D291 VanDerWaalsContact CE1-OD1 3.22Å; Y289-D291 WeakPolarHBondContact CE1-OD1 3.41Å; Y289-D291 PolarHBondContact O-N 3.11Å; D291-K293 PolarHBondContact O-N 2.69Å; D291-H294 PolarHBondContact O-N 3.46Å
292P75.6Confident70.2Confident37 Ų3796.3 Ų96.324%0.2451%0.511CS..THydrogen-bonded Turntrans-71.3-7.6-173.929.3-35.7000113.4I290 L297 K354 L357I290-P292 WeakPolarHBondContact O-CD 3.25Å; P292-L297 HydrophobicContact CB-CD1 4.09Å; P292-K354 HydrophobicContact CB-CB 4.36Å; P292-L357 HydrophobicContact CB-CD1 3.98Å
293K80.6Confident73Confident192 Ų19293.6 Ų93.684%0.83548%0.482SS*.THydrogen-bonded Turntrans-77-23.6-178.5-69.8-176.9-179.5176.70113.3D291D291-K293 PolarHBondContact O-N 2.69Å
294H79.8Confident75.7Confident168 Ų16894.2 Ų94.278%0.77847%0.469SS*.SBendtrans-93.5-3.6-177.9-66.9-63.3000113.1D291D291-H294 PolarHBondContact O-N 3.46Å
295L82.2Confident78.3Confident43 Ų4395.4 Ų95.423%0.22547%0.472CS..SBendtrans-108.9137.2-176.2-65.9170.4000110.9I290 L297 D327 H331 L357I290-L295 HydrophobicContact CG2-CD1 3.27Å; I290-L295 HydrophobicContact CG2-CG 4.49Å; L295-L297 HydrophobicContact CB-CD2 4.1Å; L295-L297 HydrophobicContact CB-CG 4.09Å; L295-L297 PolarHBondContact O-N 3.34Å; L295-D327 HydrophobicContact CD2-CB 4.49Å; L295-D327 WeakPolarHBondContact CD2-OD2 3.43Å; L295-H331 HydrophobicContact CD1-CB 4.33Å; L295-L357 HydrophobicContact CD1-CD1 4.33Å
296E87.4Confident81.1Confident180 Ų18098.2 Ų98.284%0.84147%0.468SS*.  trans-81.490.5170.3-67.2-170.8172.800109.3D327E296-D327 WeakPolarHBondContact O-CA 3.32Å
297L91.4Very high83.6Confident36 Ų3690.9 Ų90.919%0.18844%0.44CS..  trans-89.6120.7-176.6-62.4171.2000111.2P292 L295 G326 D327 K354 L357P292-L297 HydrophobicContact CB-CD1 4.09Å; L295-L297 HydrophobicContact CB-CD2 4.1Å; L295-L297 HydrophobicContact CB-CG 4.09Å; L295-L297 PolarHBondContact O-N 3.34Å; L297-G326 WeakPolarHBondContact CA-O 3.37Å; L297-D327 HydrophobicContact CD2-CB 4.26Å; L297-K354 HydrophobicContact CD1-CD 4.41Å; L297-K354 HydrophobicContact CD1-CG 3.96Å; L297-L357 HydrophobicContact CD1-CD1 4.23Å; L297-L357 HydrophobicContact CD2-CD2 4.09Å
298E94.6Very high86.1Confident94 Ų9490.7 Ų90.744%0.43944%0.443SS..EExtended strand (participates in β ladder)trans-87.2141.4164.8-70.9-177.4-162.500110.2V325 G326 K328 L403E298-V325 CarbonylContact O-C 3.59Å; E298-V325 VanDerWaalsContact O-CA 3.24Å; E298-V325 WeakPolarHBondContact O-CA 3.18Å; E298-G326 PolarHBondContact N-O 2.93Å; E298-G326 PolarHBondContact O-N 3.15Å; E298-K328 WeakPolarHBondContact OE1-CE 3.47Å; E298-K328 IonicContact OE1-NZ 2.7Å; E298-K328 PolarHBondContact OE1-NZ 3.24Å; E298-K328 WeakPolarHBondContact OE2-CE 3.39Å; E298-K328 IonicContact OE2-NZ 2.82Å; E298-K328 PolarHBondContact OE2-NZ 3.24Å; E298-L403 HydrophobicContact CB-CD2 3.8Å
299D94.4Very high87.9Confident88 Ų8893.2 Ų93.247%0.47145%0.446SS..EExtended strand (participates in β ladder)trans-108.8140.9175.366.1-75.5000112.5V323 V324 V325 I350D299-V323 HydrophobicContact CB-CG1 4.11Å; D299-V324 WeakPolarHBondContact CA-O 3.45Å; D299-V325 HydrophobicContact CB-CG1 4.02Å; D299-I350 HydrophobicContact CB-CD1 4.18Å; D299-I350 HydrophobicContact CB-CG1 4.17Å
300R96.2Very high89.6Confident86 Ų8689.4 Ų89.433%0.32544%0.442SS..EExtended strand (participates in β ladder)trans-132.9124.1174.4-168.6177.2-72.5-180-2.3111.1V302 V324 E402 L403R300-V302 PolarHBondContact O-N 3.46Å; R300-V324 PolarHBondContact N-O 2.76Å; R300-V324 PolarHBondContact O-N 2.88Å; R300-E402 IonicContact CZ-OE2 3.49Å; R300-E402 IonicContact NH1-OE2 2.61Å; R300-E402 PolarHBondContact NH1-OE2 3.49Å; R300-E402 IonicContact NH2-OE2 3.55Å; R300-E402 PolarHBondContact NH2-OE2 2.8Å; R300-L403 HydrophobicContact CB-CD1 3.71Å
301V96.3Very high90.6Very high58 Ų5890.5 Ų90.535%0.35245%0.45SS..EExtended strand (participates in β ladder)trans-78.1120175.3-174.60000109.6I304 V323 I346V301-I304 HydrophobicContact CG1-CD1 3.92Å; V301-I304 HydrophobicContact CG1-CG1 3.68Å; V301-V323 HydrophobicContact CG2-CG2 4.2Å; V301-I346 HydrophobicContact CG2-CD1 4.12Å; V301-I346 HydrophobicContact CG2-CG1 4.32Å; V301-I346 HydrophobicContact CG2-CG2 4.22Å
302V94.7Very high91.3Very high37 Ų3797.5 Ų97.522%0.22448%0.477CS..EExtended strand (participates in β ladder)trans-91.5-44.5-179.1178.10000111.5R300 L322 V324 P396 A399 P419 V423R300-V302 PolarHBondContact O-N 3.46Å; V302-L322 HydrophobicContact CB-CD2 4.12Å; V302-L322 HydrophobicContact CB-CG 4.16Å; V302-L322 HydrophobicContact CG1-CD2 4.05Å; V302-L322 PolarHBondContact N-O 2.98Å; V302-V324 HydrophobicContact CG2-CB 4.41Å; V302-V324 HydrophobicContact CG2-CG2 3.62Å; V302-P396 HydrophobicContact CG1-CB 3.81Å; V302-P396 HydrophobicContact CG1-CG 4.06Å; V302-A399 HydrophobicContact CG2-CB 3.83Å; V302-P419 HydrophobicContact CG1-CB 4.35Å; V302-V423 HydrophobicContact CG1-CG2 4.44Å
303A95.2Very high92Very high17 Ų1799.6 Ų99.614%0.1451%0.505CS..EExtended strand (participates in β ladder)trans-151.6142.2-178.400000111.6A321 L322 P419A303-A321 WeakPolarHBondContact O-CA 3.3Å; A303-L322 HydrophobicContact CB-CB 4.4Å; A303-L322 PolarHBondContact N-O 2.95Å; A303-L322 PolarHBondContact O-N 2.79Å; A303-P419 HydrophobicContact CB-CB 4.11Å; A303-P419 HydrophobicContact CB-CG 4.32Å
304I95.9Very high92.5Very high79 Ų7992.2 Ų92.241%0.40548%0.483SS..EExtended strand (participates in β ladder)trans-124.4117.8171.2-59167.7000107.7V301 F319 A320 V342 I346V301-I304 HydrophobicContact CG1-CD1 3.92Å; V301-I304 HydrophobicContact CG1-CG1 3.68Å; I304-F319 HydrophobicContact CG2-CD1 4.33Å; I304-A320 WeakPolarHBondContact CA-O 3.23Å; I304-V342 HydrophobicContact CD1-CG1 3.88Å; I304-V342 HydrophobicContact CG2-CG1 4.3Å; I304-I346 HydrophobicContact CD1-CD1 4.36Å
305N94.4Very high93Very high97 Ų9793.4 Ų93.452%0.51948%0.481SS..EExtended strand (participates in β ladder)trans-114132.4179.7-66.4-47.9000110.4F319 A320N305-F319 CarbonylContact O-C 3.54Å; N305-F319 WeakPolarHBondContact O-CA 3.23Å; N305-A320 HydrophobicContact CB-CB 4.48Å; N305-A320 PolarHBondContact N-O 2.85Å; N305-A320 PolarHBondContact O-N 3.43Å
306R95.7Very high93.5Very high175 Ų17599.5 Ų99.566%0.6650%0.501SS*.EExtended strand (participates in β ladder)trans-83.3115.8169.2-172.7177.567.3-172.1-0.9109.2F319R306-F319 HydrophobicContact CB-CD1 4.12Å; R306-F319 HydrophobicContact CB-CE1 3.97Å; R306-F319 HydrophobicContact CG-CD1 4.33Å; R306-F319 HydrophobicContact CG-CE1 3.95Å; R306-F319 HydrophobicContact CG-CZ 4.41Å
307V94Very high93.7Very high55 Ų5595 Ų9533%0.33348%0.482SS..EExtended strand (participates in β ladder)trans-108.9145.2178.9-60.80000110.6R318 A320V307-R318 HydrophobicContact CG2-CB 3.88Å; V307-R318 WeakPolarHBondContact CG2-O 3.27Å; V307-R318 PolarHBondContact N-O 3.08Å; V307-R318 PolarHBondContact O-N 3.03Å; V307-A320 HydrophobicContact CG1-CB 4.15Å; V307-A320 HydrophobicContact CG2-CB 4.5Å
308T94.6Very high93.9Very high74 Ų7499.8 Ų99.845%0.45450%0.497SS..EExtended strand (participates in β ladder)trans-129.6134.8-173.968.80000111.5R316 L317T308-R316 CarbonylContact C-O 3.25Å; T308-R316 WeakPolarHBondContact CA-O 3.46Å; T308-L317 HydrophobicContact CG2-CD2 3.3Å
309K92.9Very high94Very high149 Ų14998 Ų9865%0.64849%0.488SS*.EExtended strand (participates in β ladder)trans-109.3122.6169-174.1176.3-177.7176.20109.7V311 R316K309-V311 HydrophobicContact CG-CG1 4.38Å; K309-R316 PolarHBondContact N-O 3.44Å; K309-R316 PolarHBondContact O-N 2.81Å
310V95.3Very high94.1Very high104 Ų10494.5 Ų94.563%0.6347%0.472SS*.EExtended strand (participates in β ladder)trans-82.4128.1176-171.40000109.1R315V310-R315 HydrophobicContact CG2-CG 4.33Å
311V93.2Very high94.1Very high50 Ų5090.6 Ų90.630%0.30346%0.458SS..EExtended strand (participates in β ladder)trans-131.9165.8175-64.40000109.3K309 G313 G314 R316K309-V311 HydrophobicContact CG-CG1 4.38Å; V311-G313 PolarHBondContact O-N 3.01Å; V311-G314 WeakPolarHBondContact CG2-O 3.23Å; V311-G314 PolarHBondContact N-O 3.45Å; V311-G314 PolarHBondContact O-N 2.9Å; V311-R316 HydrophobicContact CG2-CG 4.26Å
312K91.9Very high94.2Very high229 Ų22988.3 Ų88.3100%0.99644%0.444SS*.THydrogen-bonded Turntrans-52.6-31-180-70.2-172.2176.9-175.70113.4
313G90.1Very high94.3Very high81 Ų8186.6 Ų86.684%0.83543%0.433SS*.THydrogen-bonded Turntrans-93.223.4176.800000115.9V311V311-G313 PolarHBondContact O-N 3.01Å
314G91.5Very high94.4Very high37 Ų3785.8 Ų85.838%0.38143%0.427SS..EExtended strand (participates in β ladder)trans112.4-158.7175.200000114.9V311V311-G314 WeakPolarHBondContact CG2-O 3.23Å; V311-G314 PolarHBondContact N-O 3.45Å; V311-G314 PolarHBondContact O-N 2.9Å
315R91.2Very high94.4Very high192 Ų19282 Ų8273%0.72541%0.408SS*.EExtended strand (participates in β ladder)trans-104.4120.9-178.3-62.5-176178.1176.6-1110.3V310V310-R315 HydrophobicContact CG2-CG 4.33Å
316R91.8Very high94.5Very high171 Ų17177.4 Ų77.465%0.64538%0.383SS*.EExtended strand (participates in β ladder)trans-88.4117.3171.9-67.6-175178.2-175.1-0.2109.6T308 K309 V311T308-R316 CarbonylContact C-O 3.25Å; T308-R316 WeakPolarHBondContact CA-O 3.46Å; K309-R316 PolarHBondContact N-O 3.44Å; K309-R316 PolarHBondContact O-N 2.81Å; V311-R316 HydrophobicContact CG2-CG 4.26Å
317L92.7Very high94.3Very high85 Ų8570.2 Ų70.245%0.44536%0.357SS..EExtended strand (participates in β ladder)trans-87.1142.8177.6-56.2176.9000110.6T308T308-L317 HydrophobicContact CG2-CD2 3.3Å
318R95.3Very high94.2Very high137 Ų13772.5 Ų72.552%0.51736%0.363SS..EExtended strand (participates in β ladder)trans-143.4158.3168.2-69.8-173.4177.2-172.7-3.8108.9V307 A339V307-R318 HydrophobicContact CG2-CB 3.88Å; V307-R318 WeakPolarHBondContact CG2-O 3.27Å; V307-R318 PolarHBondContact N-O 3.08Å; V307-R318 PolarHBondContact O-N 3.03Å; R318-A339 CarbonylContact C-O 3.57Å; R318-A339 VanDerWaalsContact CA-O 3.24Å; R318-A339 WeakPolarHBondContact CA-O 3.4Å; R318-A339 VanDerWaalsContact CB-O 3.27Å; R318-A339 WeakPolarHBondContact CB-O 3.45Å
319F97Very high94.1Very high56 Ų5674.7 Ų74.725%0.24637%0.372CS..EExtended strand (participates in β ladder)trans-107.7136.9171.9-63.3-84.6000109.5I304 N305 R306 K338 A339 Q340 V342 A345I304-F319 HydrophobicContact CG2-CD1 4.33Å; N305-F319 CarbonylContact O-C 3.54Å; N305-F319 WeakPolarHBondContact O-CA 3.23Å; R306-F319 HydrophobicContact CB-CD1 4.12Å; R306-F319 HydrophobicContact CB-CE1 3.97Å; R306-F319 HydrophobicContact CG-CD1 4.33Å; R306-F319 HydrophobicContact CG-CE1 3.95Å; R306-F319 HydrophobicContact CG-CZ 4.41Å; F319-K338 VanDerWaalsContact O-CA 3.29Å; F319-K338 WeakPolarHBondContact O-CA 3.27Å; F319-A339 PolarHBondContact N-O 2.95Å; F319-A339 PolarHBondContact O-N 2.86Å; F319-Q340 VanDerWaalsContact CD2-O 3.26Å; F319-Q340 WeakPolarHBondContact CD2-O 3.48Å; F319-Q340 WeakPolarHBondContact CE2-O 3.01Å; F319-V342 HydrophobicContact CB-CG2 4.1Å; F319-V342 HydrophobicContact CD1-CG2 3.69Å; F319-V342 HydrophobicContact CD2-CG2 3.78Å; F319-V342 HydrophobicContact CE1-CG2 4Å; F319-V342 HydrophobicContact CE2-CG2 4.09Å; F319-V342 HydrophobicContact CG-CG2 3.57Å; F319-V342 HydrophobicContact CZ-CG2 4.19Å; F319-A345 HydrophobicContact CB-CB 4.39Å; F319-A345 WeakPolarHBondContact O-CB 3.13Å
320A96.3Very high93.9Very high15 Ų1567.8 Ų67.812%0.12434%0.343CS..EExtended strand (participates in β ladder)trans-112.7116.5174.800000108.5I304 N305 V307 G337 K338I304-A320 WeakPolarHBondContact CA-O 3.23Å; N305-A320 HydrophobicContact CB-CB 4.48Å; N305-A320 PolarHBondContact N-O 2.85Å; N305-A320 PolarHBondContact O-N 3.43Å; V307-A320 HydrophobicContact CG1-CB 4.15Å; V307-A320 HydrophobicContact CG2-CB 4.5Å; A320-G337 CarbonylContact C-O 3.42Å; A320-G337 VanDerWaalsContact CA-O 3.28Å; A320-G337 WeakPolarHBondContact CA-O 3.2Å; A320-K338 HydrophobicContact CB-CD 4.42Å; A320-K338 HydrophobicContact CB-CG 3.86Å
321A97.1Very high93.8Very high5 Ų564.5 Ų64.54%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-103.7140.2177.400000110.2A303 T336 G337 A345 I346 A349A303-A321 WeakPolarHBondContact O-CA 3.3Å; A321-T336 WeakPolarHBondContact O-CA 3.25Å; A321-G337 PolarHBondContact N-O 3.18Å; A321-G337 PolarHBondContact O-N 3.43Å; A321-A345 HydrophobicContact CB-CB 4.13Å; A321-I346 HydrophobicContact CB-CG1 3.97Å; A321-A349 HydrophobicContact CB-CB 4.31Å
322L97.3Very high93.9Very high10 Ų1062.2 Ų62.25%0.05231%0.307CS..EExtended strand (participates in β ladder)trans-112.1120.5166.6174.766000107.6V302 A303 F334 T336 P419 I420 V423V302-L322 HydrophobicContact CB-CD2 4.12Å; V302-L322 HydrophobicContact CB-CG 4.16Å; V302-L322 HydrophobicContact CG1-CD2 4.05Å; V302-L322 PolarHBondContact N-O 2.98Å; A303-L322 HydrophobicContact CB-CB 4.4Å; A303-L322 PolarHBondContact N-O 2.95Å; A303-L322 PolarHBondContact O-N 2.79Å; L322-F334 HydrophobicContact CD1-CD2 4.38Å; L322-T336 HydrophobicContact CD1-CG2 3.91Å; L322-P419 HydrophobicContact CD2-CB 4.04Å; L322-I420 HydrophobicContact CD1-CG1 4.45Å; L322-I420 HydrophobicContact CD2-CB 4.27Å; L322-V423 HydrophobicContact CD2-CG2 4.03Å
323V97.6Very high94Very high0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-126.1142.9-177.6179.90000109.1D299 V301 V325 F334 G335 I346 A349 I350D299-V323 HydrophobicContact CB-CG1 4.11Å; V301-V323 HydrophobicContact CG2-CG2 4.2Å; V323-V325 HydrophobicContact CG1-CG1 4.32Å; V323-F334 WeakPolarHBondContact O-CA 3.37Å; V323-G335 PolarHBondContact N-O 3.5Å; V323-G335 PolarHBondContact O-N 2.94Å; V323-I346 HydrophobicContact CG2-CG2 4.22Å; V323-A349 HydrophobicContact CB-CB 3.84Å; V323-A349 HydrophobicContact CG2-CB 3.55Å; V323-I350 HydrophobicContact CG1-CG1 3.82Å
324V97.4Very high94.3Very high0 Ų049 Ų490%023%0.226CC..EExtended strand (participates in β ladder)trans-114139.2171.2-1790000107.4D299 R300 V302 V332 G333 F334 V400 L403 V423D299-V324 WeakPolarHBondContact CA-O 3.45Å; R300-V324 PolarHBondContact N-O 2.76Å; R300-V324 PolarHBondContact O-N 2.88Å; V302-V324 HydrophobicContact CG2-CB 4.41Å; V302-V324 HydrophobicContact CG2-CG2 3.62Å; V324-V332 HydrophobicContact CG1-CG2 3.66Å; V324-G333 CarbonylContact C-O 3.57Å; V324-G333 WeakPolarHBondContact CA-O 3.49Å; V324-G333 WeakPolarHBondContact CG1-O 3.5Å; V324-F334 HydrophobicContact CG2-CB 4.14Å; V324-V400 HydrophobicContact CG1-CG2 4.12Å; V324-V400 HydrophobicContact CG2-CG2 3.99Å; V324-L403 HydrophobicContact CB-CD1 3.92Å; V324-L403 HydrophobicContact CG1-CB 4.44Å; V324-L403 HydrophobicContact CG1-CD1 3.66Å; V324-L403 WeakPolarHBondContact O-CD1 3.07Å; V324-V423 HydrophobicContact CG2-CG1 4.14Å; V324-V423 HydrophobicContact CG2-CG2 4.38Å
325V95.9Very high94.5Very high1 Ų147.2 Ų47.21%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-123.8146.7175.8-58.80000109.3E298 D299 V323 V332 G333 I350 A353 L357E298-V325 CarbonylContact O-C 3.59Å; E298-V325 VanDerWaalsContact O-CA 3.24Å; E298-V325 WeakPolarHBondContact O-CA 3.18Å; D299-V325 HydrophobicContact CB-CG1 4.02Å; V323-V325 HydrophobicContact CG1-CG1 4.32Å; V325-V332 CarbonylContact O-C 3.59Å; V325-V332 WeakPolarHBondContact O-CA 3.35Å; V325-V332 WeakPolarHBondContact O-CG2 3.34Å; V325-G333 PolarHBondContact N-O 3.16Å; V325-G333 PolarHBondContact O-N 3.12Å; V325-I350 HydrophobicContact CG1-CG2 4.39Å; V325-A353 HydrophobicContact CB-CB 4.31Å; V325-A353 HydrophobicContact CG1-CB 3.78Å; V325-A353 HydrophobicContact CG2-CB 3.62Å; V325-L357 HydrophobicContact CG2-CD2 4.11Å
326G95.1Very high94.8Very high0 Ų040.7 Ų40.70%019%0.189CC..EExtended strand (participates in β ladder)trans-171.2167.1174.400000112.7L297 E298 H331 L403L297-G326 WeakPolarHBondContact CA-O 3.37Å; E298-G326 PolarHBondContact N-O 2.93Å; E298-G326 PolarHBondContact O-N 3.15Å; G326-H331 WeakPolarHBondContact CA-O 3.33Å; G326-L403 CarbonylContact C-O 3.5Å; G326-L403 WeakPolarHBondContact CA-O 3.4Å
327D92.6Very high95Very high23 Ų2332.7 Ų32.712%0.12316%0.16CC..  trans-105.64.1-173.669.8-16.5000113.7L295 E296 L297 N329 G330 H331 L403L295-D327 HydrophobicContact CD2-CB 4.49Å; L295-D327 WeakPolarHBondContact CD2-OD2 3.43Å; E296-D327 WeakPolarHBondContact O-CA 3.32Å; L297-D327 HydrophobicContact CD2-CB 4.26Å; D327-N329 PolarHBondContact O-N 2.83Å; D327-N329 WeakPolarHBondContact OD1-CA 3.49Å; D327-N329 PolarHBondContact OD1-N 2.97Å; D327-G330 PolarHBondContact OD1-N 2.9Å; D327-H331 PolarHBondContact N-O 3.09Å; D327-H331 VanDerWaalsContact N-O 3.17Å; D327-H331 WeakPolarHBondContact OD1-CA 3.24Å; D327-H331 WeakPolarHBondContact OD1-CB 3.44Å; D327-H331 IonicContact OD1-CG 2.66Å; D327-H331 PolarHBondContact OD1-N 3.4Å; D327-H331 IonicContact OD1-ND1 2.8Å; D327-H331 IonicContact OD2-CE1 3.19Å; D327-H331 IonicContact OD2-CG 2.64Å; D327-H331 IonicContact OD2-ND1 2.82Å; D327-H331 PolarHBondContact OD2-ND1 3.02Å; D327-L403 PolarHBondContact N-O 3.23Å
328K91.8Very high95.2Very high104 Ų10435 Ų3545%0.45217%0.167SC..SBendtrans56.415.4-171.3-59.6174.5175.6157.70114.1E298 L403 G405E298-K328 WeakPolarHBondContact OE1-CE 3.47Å; E298-K328 IonicContact OE1-NZ 2.7Å; E298-K328 PolarHBondContact OE1-NZ 3.24Å; E298-K328 WeakPolarHBondContact OE2-CE 3.39Å; E298-K328 IonicContact OE2-NZ 2.82Å; E298-K328 PolarHBondContact OE2-NZ 3.24Å; K328-L403 WeakPolarHBondContact CA-O 3.47Å; K328-L403 PolarHBondContact N-O 2.82Å; K328-G405 VanDerWaalsContact C-CA 3.5Å; K328-G405 VanDerWaalsContact O-CA 3.22Å; K328-G405 WeakPolarHBondContact O-CA 3.36Å
329N91.6Very high95.2Very high119 Ų11928.8 Ų28.864%0.63614%0.144SC*.SBendtrans-133.139.2-174.7-167.439.9000111.2D327D327-N329 PolarHBondContact O-N 2.83Å; D327-N329 WeakPolarHBondContact OD1-CA 3.49Å; D327-N329 PolarHBondContact OD1-N 2.97Å
330G89.5Confident95.1Very high4 Ų433.3 Ų33.34%0.04117%0.167CC..SBendtrans910.6175.700000115.1D327 E359 V360 A404D327-G330 PolarHBondContact OD1-N 2.9Å; G330-E359 CarbonylContact O-C 3.57Å; G330-E359 WeakPolarHBondContact O-CA 3.42Å; G330-V360 PolarHBondContact O-N 3.24Å; G330-A404 WeakPolarHBondContact CA-O 3.4Å; G330-A404 PolarHBondContact N-O 3.5Å
331H93.5Very high95Very high36 Ų3639.1 Ų39.117%0.16719%0.191CC..EExtended strand (participates in β ladder)trans-112.6126.5176.4-53.295.7000111.6L295 G326 D327 V358L295-H331 HydrophobicContact CD1-CB 4.33Å; G326-H331 WeakPolarHBondContact CA-O 3.33Å; D327-H331 PolarHBondContact N-O 3.09Å; D327-H331 VanDerWaalsContact N-O 3.17Å; D327-H331 WeakPolarHBondContact OD1-CA 3.24Å; D327-H331 WeakPolarHBondContact OD1-CB 3.44Å; D327-H331 IonicContact OD1-CG 2.66Å; D327-H331 PolarHBondContact OD1-N 3.4Å; D327-H331 IonicContact OD1-ND1 2.8Å; D327-H331 IonicContact OD2-CE1 3.19Å; D327-H331 IonicContact OD2-CG 2.64Å; D327-H331 IonicContact OD2-ND1 2.82Å; D327-H331 PolarHBondContact OD2-ND1 3.02Å; H331-V358 WeakPolarHBondContact CA-O 3.26Å
332V94.7Very high95Very high1 Ų141 Ų411%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-139.8144.4177740000111.2V324 V325 V358 V360 V400 L403 A404V324-V332 HydrophobicContact CG1-CG2 3.66Å; V325-V332 CarbonylContact O-C 3.59Å; V325-V332 WeakPolarHBondContact O-CA 3.35Å; V325-V332 WeakPolarHBondContact O-CG2 3.34Å; V332-V358 PolarHBondContact N-O 2.86Å; V332-V358 PolarHBondContact O-N 3.34Å; V332-V360 HydrophobicContact CG1-CG2 3.61Å; V332-V400 HydrophobicContact CG1-CG1 4.17Å; V332-V400 HydrophobicContact CG2-CG1 4.03Å; V332-L403 HydrophobicContact CG2-CB 4.29Å; V332-A404 HydrophobicContact CB-CB 3.93Å; V332-A404 HydrophobicContact CG1-CB 4.1Å; V332-A404 HydrophobicContact CG2-CB 4.45Å
333G94.3Very high95Very high0 Ų044.4 Ų44.40%023%0.225CC..EExtended strand (participates in β ladder)trans-142.7158.6176.200000110.6V324 V325 N356V324-G333 CarbonylContact C-O 3.57Å; V324-G333 WeakPolarHBondContact CA-O 3.49Å; V324-G333 WeakPolarHBondContact CG1-O 3.5Å; V325-G333 PolarHBondContact N-O 3.16Å; V325-G333 PolarHBondContact O-N 3.12Å; G333-N356 VanDerWaalsContact CA-O 3.28Å; G333-N356 WeakPolarHBondContact CA-O 3.2Å
334F95.9Very high94.9Very high33 Ų3347.4 Ų47.415%0.14524%0.239CC..EExtended strand (participates in β ladder)trans-136.5152.5175.174.9-81.4000110.5L322 V323 V324 A353 V423 R424 V427L322-F334 HydrophobicContact CD1-CD2 4.38Å; V323-F334 WeakPolarHBondContact O-CA 3.37Å; V324-F334 HydrophobicContact CG2-CB 4.14Å; F334-A353 VanDerWaalsContact C-CA 3.47Å; F334-A353 VanDerWaalsContact C-CB 3.46Å; F334-A353 WeakPolarHBondContact O-CA 3.5Å; F334-V423 HydrophobicContact CB-CG1 3.56Å; F334-V423 HydrophobicContact CD1-CG1 4.06Å; F334-V423 HydrophobicContact CD2-CG1 3.95Å; F334-V423 HydrophobicContact CG-CG1 3.55Å; F334-R424 HydrophobicContact CE1-CG 4.41Å; F334-R424 HydrophobicContact CE2-CG 3.63Å; F334-R424 HydrophobicContact CZ-CG 3.53Å; F334-V427 HydrophobicContact CD1-CB 4.4Å; F334-V427 HydrophobicContact CD1-CG2 3.84Å; F334-V427 HydrophobicContact CE1-CB 4.28Å; F334-V427 HydrophobicContact CE1-CG1 4.31Å; F334-V427 HydrophobicContact CE1-CG2 4.23Å
335G95.9Very high94.9Very high0 Ų047.4 Ų47.40%024%0.239CC..EExtended strand (participates in β ladder)trans-150159.3-17600000112.1V323 A349 D352V323-G335 PolarHBondContact N-O 3.5Å; V323-G335 PolarHBondContact O-N 2.94Å; G335-A349 WeakPolarHBondContact CA-O 3.43Å; G335-D352 VanDerWaalsContact CA-OD2 3.28Å; G335-D352 WeakPolarHBondContact CA-OD2 3.37Å
336T96.5Very high95Very high54 Ų5449 Ų4933%0.33125%0.247SC..EExtended strand (participates in β ladder)trans-123.8138.9177.362.70000110.5A321 L322 D352 I420A321-T336 WeakPolarHBondContact O-CA 3.25Å; L322-T336 HydrophobicContact CD1-CG2 3.91Å; T336-D352 PolarHBondContact N-OD2 2.59Å; T336-I420 HydrophobicContact CG2-CD1 3.82Å; T336-I420 HydrophobicContact CG2-CG1 4.45Å
337G96.6Very high95.1Very high3 Ų355.3 Ų55.33%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-133.6141.1-179.300000110.7A320 A321 A345A320-G337 CarbonylContact C-O 3.42Å; A320-G337 VanDerWaalsContact CA-O 3.28Å; A320-G337 WeakPolarHBondContact CA-O 3.2Å; A321-G337 PolarHBondContact N-O 3.18Å; A321-G337 PolarHBondContact O-N 3.43Å; G337-A345 WeakPolarHBondContact CA-O 3.38Å
338K96.5Very high95.3Very high134 Ų13458.5 Ų58.558%0.58328%0.283SS*.EExtended strand (participates in β ladder)trans-130.4125.1176.8-67.5-178-177.21730110.5F319 A320F319-K338 VanDerWaalsContact O-CA 3.29Å; F319-K338 WeakPolarHBondContact O-CA 3.27Å; A320-K338 HydrophobicContact CB-CD 4.42Å; A320-K338 HydrophobicContact CB-CG 3.86Å
339A96.2Very high95.6Very high6 Ų653.5 Ų53.55%0.0526%0.262CS..EExtended strand (participates in β ladder)trans-148.5175.1178.600000112.1R318 F319 E344 A345R318-A339 CarbonylContact C-O 3.57Å; R318-A339 VanDerWaalsContact CA-O 3.24Å; R318-A339 WeakPolarHBondContact CA-O 3.4Å; R318-A339 VanDerWaalsContact CB-O 3.27Å; R318-A339 WeakPolarHBondContact CB-O 3.45Å; F319-A339 PolarHBondContact N-O 2.95Å; F319-A339 PolarHBondContact O-N 2.86Å; A339-E344 HydrophobicContact CB-CB 3.64Å; A339-E344 HydrophobicContact CB-CG 3.49Å; A339-E344 VanDerWaalsContact CB-CG 3.49Å; A339-A345 HydrophobicContact CB-CB 3.94Å
340Q94.4Very high95.8Very high152 Ų15249.4 Ų49.471%0.7124%0.239SC*.SBendtrans-74-32.7174.5-76.5178-42.600112.2F319F319-Q340 VanDerWaalsContact CD2-O 3.26Å; F319-Q340 WeakPolarHBondContact CD2-O 3.48Å; F319-Q340 WeakPolarHBondContact CE2-O 3.01Å
341E95.2Very high96Very high137 Ų13754.3 Ų54.364%0.6426%0.261SS*.SBendtrans-110.8154.6177.5-61.9-177.1177.500111.2E344 A345E341-E344 HydrophobicContact CB-CB 4.49Å; E341-A345 PolarHBondContact O-N 2.95Å
342V96.1Very high96Very high44 Ų4455.1 Ų55.127%0.26727%0.267SS..Hα-helixtrans-65.6-48.1-178.4179.60000112.6I304 F319 E344 A345 I346I304-V342 HydrophobicContact CD1-CG1 3.88Å; I304-V342 HydrophobicContact CG2-CG1 4.3Å; F319-V342 HydrophobicContact CB-CG2 4.1Å; F319-V342 HydrophobicContact CD1-CG2 3.69Å; F319-V342 HydrophobicContact CD2-CG2 3.78Å; F319-V342 HydrophobicContact CE1-CG2 4Å; F319-V342 HydrophobicContact CE2-CG2 4.09Å; F319-V342 HydrophobicContact CG-CG2 3.57Å; F319-V342 HydrophobicContact CZ-CG2 4.19Å; V342-E344 VanDerWaalsContact C-N 3.32Å; V342-E344 PolarHBondContact O-N 2.7Å; V342-A345 WeakPolarHBondContact O-CB 3.28Å; V342-A345 PolarHBondContact O-N 3.42Å; V342-A345 VanDerWaalsContact O-N 3.1Å; V342-I346 HydrophobicContact CG1-CD1 3.9Å; V342-I346 HydrophobicContact CG1-CG1 4.46Å; V342-I346 WeakPolarHBondContact O-CG1 3.1Å; V342-I346 PolarHBondContact O-N 2.75Å
343P96.8Very high96Very high82 Ų8255.1 Ų55.153%0.53227%0.267SS..Hα-helixtrans-61.9-39.2-178.4-23.735.5000112.9A345 I346 R347P343-A345 VanDerWaalsContact C-N 3.32Å; P343-A345 PolarHBondContact O-N 3.4Å; P343-I346 PolarHBondContact O-N 3.13Å; P343-R347 PolarHBondContact O-N 2.88Å
344E97.1Very high95.9Very high62 Ų6259.4 Ų59.429%0.2929%0.286SS..Hα-helixtrans-64.9-36.1176.3-174.662.3-159.100112.1A339 E341 V342 R347 K348A339-E344 HydrophobicContact CB-CB 3.64Å; A339-E344 HydrophobicContact CB-CG 3.49Å; A339-E344 VanDerWaalsContact CB-CG 3.49Å; E341-E344 HydrophobicContact CB-CB 4.49Å; V342-E344 VanDerWaalsContact C-N 3.32Å; V342-E344 PolarHBondContact O-N 2.7Å; E344-R347 IonicContact OE2-CZ 3.95Å; E344-R347 IonicContact OE2-NH1 2.92Å; E344-R347 PolarHBondContact OE2-NH1 2.93Å; E344-K348 WeakPolarHBondContact O-CG 3.39Å; E344-K348 PolarHBondContact O-N 2.87Å; E344-K348 WeakPolarHBondContact OE1-CE 3.45Å; E344-K348 IonicContact OE1-NZ 2.81Å; E344-K348 PolarHBondContact OE1-NZ 3.08Å
345A97.1Very high95.6Very high0 Ų065.4 Ų65.40%031%0.311CS..Hα-helixtrans-67.6-40.6175.400000111.3F319 A321 G337 A339 E341 V342 P343 A349F319-A345 HydrophobicContact CB-CB 4.39Å; F319-A345 WeakPolarHBondContact O-CB 3.13Å; A321-A345 HydrophobicContact CB-CB 4.13Å; G337-A345 WeakPolarHBondContact CA-O 3.38Å; A339-A345 HydrophobicContact CB-CB 3.94Å; E341-A345 PolarHBondContact O-N 2.95Å; V342-A345 WeakPolarHBondContact O-CB 3.28Å; V342-A345 PolarHBondContact O-N 3.42Å; V342-A345 VanDerWaalsContact O-N 3.1Å; P343-A345 VanDerWaalsContact C-N 3.32Å; P343-A345 PolarHBondContact O-N 3.4Å; A345-A349 WeakPolarHBondContact O-CB 3.28Å; A345-A349 PolarHBondContact O-N 2.85Å
346I96.9Very high95.3Very high35 Ų3568.1 Ų68.118%0.17933%0.326CS..Hα-helixtrans-64.4-46.6176.1-66168.5000110.4V301 I304 A321 V323 V342 P343 K348 A349 I350V301-I346 HydrophobicContact CG2-CD1 4.12Å; V301-I346 HydrophobicContact CG2-CG1 4.32Å; V301-I346 HydrophobicContact CG2-CG2 4.22Å; I304-I346 HydrophobicContact CD1-CD1 4.36Å; A321-I346 HydrophobicContact CB-CG1 3.97Å; V323-I346 HydrophobicContact CG2-CG2 4.22Å; V342-I346 HydrophobicContact CG1-CD1 3.9Å; V342-I346 HydrophobicContact CG1-CG1 4.46Å; V342-I346 WeakPolarHBondContact O-CG1 3.1Å; V342-I346 PolarHBondContact O-N 2.75Å; P343-I346 PolarHBondContact O-N 3.13Å; I346-K348 VanDerWaalsContact C-N 3.35Å; I346-K348 PolarHBondContact O-N 2.89Å; I346-A349 WeakPolarHBondContact O-CA 3.39Å; I346-A349 WeakPolarHBondContact O-CB 3.27Å; I346-A349 PolarHBondContact O-N 3.37Å; I346-I350 HydrophobicContact CG2-CD1 3.83Å; I346-I350 HydrophobicContact CG2-CG1 4.37Å; I346-I350 WeakPolarHBondContact O-CG1 3.28Å; I346-I350 PolarHBondContact O-N 2.98Å
347R97.4Very high95Very high132 Ų13266 Ų6650%0.49831%0.313SS..Hα-helixtrans-56.1-47.4178.2-168.2-174.7-57.7128.49.4112.2P343 E344 A349 I350 E351P343-R347 PolarHBondContact O-N 2.88Å; E344-R347 IonicContact OE2-CZ 3.95Å; E344-R347 IonicContact OE2-NH1 2.92Å; E344-R347 PolarHBondContact OE2-NH1 2.93Å; R347-A349 VanDerWaalsContact C-N 3.31Å; R347-A349 PolarHBondContact O-N 3.25Å; R347-I350 PolarHBondContact O-N 3.26Å; R347-E351 PolarHBondContact O-N 2.69Å
348K97.4Very high94.7Very high90 Ų9066.7 Ų66.739%0.39132%0.316SS..Hα-helixtrans-62.4-37.9176.1-73.2176-179.21670112.7E344 I346 E351 D352E344-K348 WeakPolarHBondContact O-CG 3.39Å; E344-K348 PolarHBondContact O-N 2.87Å; E344-K348 WeakPolarHBondContact OE1-CE 3.45Å; E344-K348 IonicContact OE1-NZ 2.81Å; E344-K348 PolarHBondContact OE1-NZ 3.08Å; I346-K348 VanDerWaalsContact C-N 3.35Å; I346-K348 PolarHBondContact O-N 2.89Å; K348-E351 PolarHBondContact O-N 2.65Å; K348-D352 WeakPolarHBondContact O-CB 3.22Å; K348-D352 PolarHBondContact O-N 3.29Å
349A97.2Very high94.4Very high0 Ų064.7 Ų64.70%031%0.309CS..Hα-helixtrans-65.9-39.5176.400000111.7A321 V323 G335 A345 I346 R347 D352 A353A321-A349 HydrophobicContact CB-CB 4.31Å; V323-A349 HydrophobicContact CB-CB 3.84Å; V323-A349 HydrophobicContact CG2-CB 3.55Å; G335-A349 WeakPolarHBondContact CA-O 3.43Å; A345-A349 WeakPolarHBondContact O-CB 3.28Å; A345-A349 PolarHBondContact O-N 2.85Å; I346-A349 WeakPolarHBondContact O-CA 3.39Å; I346-A349 WeakPolarHBondContact O-CB 3.27Å; I346-A349 PolarHBondContact O-N 3.37Å; R347-A349 VanDerWaalsContact C-N 3.31Å; R347-A349 PolarHBondContact O-N 3.25Å; A349-D352 PolarHBondContact O-N 3.09Å; A349-A353 VanDerWaalsContact O-CB 3.27Å; A349-A353 WeakPolarHBondContact O-CB 3.37Å; A349-A353 PolarHBondContact O-N 3.07Å
350I96.1Very high94.1Very high32 Ų3264.6 Ų64.616%0.16431%0.307CS..Hα-helixtrans-64.3-46.2175.6-67.2166.2000110.9D299 V323 V325 I346 R347 D352 A353 K354D299-I350 HydrophobicContact CB-CD1 4.18Å; D299-I350 HydrophobicContact CB-CG1 4.17Å; V323-I350 HydrophobicContact CG1-CG1 3.82Å; V325-I350 HydrophobicContact CG1-CG2 4.39Å; I346-I350 HydrophobicContact CG2-CD1 3.83Å; I346-I350 HydrophobicContact CG2-CG1 4.37Å; I346-I350 WeakPolarHBondContact O-CG1 3.28Å; I346-I350 PolarHBondContact O-N 2.98Å; R347-I350 PolarHBondContact O-N 3.26Å; I350-D352 VanDerWaalsContact C-N 3.31Å; I350-D352 PolarHBondContact O-N 3.1Å; I350-A353 PolarHBondContact O-N 3.36Å; I350-K354 HydrophobicContact CG2-CD 4.3Å; I350-K354 WeakPolarHBondContact O-CG 3.43Å; I350-K354 PolarHBondContact O-N 2.74Å
351E94.3Very high93.9Very high107 Ų10758 Ų5850%0.528%0.278SS..Hα-helixtrans-62.2-38.2177.4-73.6-178.7-173.900112.8R347 K348 K355R347-E351 PolarHBondContact O-N 2.69Å; K348-E351 PolarHBondContact O-N 2.65Å; E351-K355 WeakPolarHBondContact O-CG 3.1Å
352D94.4Very high93.7Very high54 Ų5453.5 Ų53.529%0.28926%0.257SS..Hα-helixtrans-66.9-42.2173.6-171.748.5000111.1G335 T336 K348 A349 I350 K354 K355 N356G335-D352 VanDerWaalsContact CA-OD2 3.28Å; G335-D352 WeakPolarHBondContact CA-OD2 3.37Å; T336-D352 PolarHBondContact N-OD2 2.59Å; K348-D352 WeakPolarHBondContact O-CB 3.22Å; K348-D352 PolarHBondContact O-N 3.29Å; A349-D352 PolarHBondContact O-N 3.09Å; I350-D352 VanDerWaalsContact C-N 3.31Å; I350-D352 PolarHBondContact O-N 3.1Å; D352-K354 PolarHBondContact O-N 2.93Å; D352-K355 PolarHBondContact O-N 2.99Å; D352-N356 PolarHBondContact O-N 2.79Å; D352-N356 PolarHBondContact O-ND2 2.94Å; D352-N356 VanDerWaalsContact O-ND2 3.15Å
353A94Very high93.3Very high0 Ų055.2 Ų55.20%027%0.268CS..Hα-helixtrans-63.7-40.6-179.900000112.8V325 F334 A349 I350 K355 N356V325-A353 HydrophobicContact CB-CB 4.31Å; V325-A353 HydrophobicContact CG1-CB 3.78Å; V325-A353 HydrophobicContact CG2-CB 3.62Å; F334-A353 VanDerWaalsContact C-CA 3.47Å; F334-A353 VanDerWaalsContact C-CB 3.46Å; F334-A353 WeakPolarHBondContact O-CA 3.5Å; A349-A353 VanDerWaalsContact O-CB 3.27Å; A349-A353 WeakPolarHBondContact O-CB 3.37Å; A349-A353 PolarHBondContact O-N 3.07Å; I350-A353 PolarHBondContact O-N 3.36Å; A353-K355 PolarHBondContact O-N 3.05Å; A353-N356 CarbonylContact O-C 3.48Å; A353-N356 PolarHBondContact O-N 2.8Å; A353-N356 VanDerWaalsContact O-N 3.09Å
354K92.1Very high92.9Very high91 Ų9154.9 Ų54.940%0.39628%0.28SS..Hα-helixtrans-61.9-25.5176.8-74179.8178.4-173.20113.6P292 L297 I350 D352P292-K354 HydrophobicContact CB-CB 4.36Å; L297-K354 HydrophobicContact CD1-CD 4.41Å; L297-K354 HydrophobicContact CD1-CG 3.96Å; I350-K354 HydrophobicContact CG2-CD 4.3Å; I350-K354 WeakPolarHBondContact O-CG 3.43Å; I350-K354 PolarHBondContact O-N 2.74Å; D352-K354 PolarHBondContact O-N 2.93Å
355K89.5Confident92.6Very high158 Ų15854.1 Ų54.169%0.68728%0.279SS*.Hα-helixtrans-80.5-22.9177.3-65.8170.4-172.1173.60112.5E351 D352 A353E351-K355 WeakPolarHBondContact O-CG 3.1Å; D352-K355 PolarHBondContact O-N 2.99Å; A353-K355 PolarHBondContact O-N 3.05Å
356N89.5Confident92.4Very high58 Ų5855.2 Ų55.231%0.3129%0.286SS..SBendtrans-109.940.3-174.5-57.2-40.4000111.1G333 D352 A353G333-N356 VanDerWaalsContact CA-O 3.28Å; G333-N356 WeakPolarHBondContact CA-O 3.2Å; D352-N356 PolarHBondContact O-N 2.79Å; D352-N356 PolarHBondContact O-ND2 2.94Å; D352-N356 VanDerWaalsContact O-ND2 3.15Å; A353-N356 CarbonylContact O-C 3.48Å; A353-N356 PolarHBondContact O-N 2.8Å; A353-N356 VanDerWaalsContact O-N 3.09Å
357L90.9Very high92.3Very high9 Ų953.7 Ų53.75%0.04728%0.278CS..EExtended strand (participates in β ladder)trans-71.5140.4174.7-76.3169.5000110.7I290 P292 L295 L297 V325I290-L357 HydrophobicContact CB-CB 4.39Å; I290-L357 HydrophobicContact CD1-CB 4.26Å; I290-L357 HydrophobicContact CG2-CD1 4.13Å; P292-L357 HydrophobicContact CB-CD1 3.98Å; L295-L357 HydrophobicContact CD1-CD1 4.33Å; L297-L357 HydrophobicContact CD1-CD1 4.23Å; L297-L357 HydrophobicContact CD2-CD2 4.09Å; V325-L357 HydrophobicContact CG2-CD2 4.11Å
358V89.8Confident92Very high17 Ų1749.1 Ų49.110%0.10327%0.265CS..EExtended strand (participates in β ladder)trans-132.8136.9-177.9174.40000108.3M287 H331 V332 V427 T431M287-V358 HydrophobicContact CE-CG2 3.81Å; H331-V358 WeakPolarHBondContact CA-O 3.26Å; V332-V358 PolarHBondContact N-O 2.86Å; V332-V358 PolarHBondContact O-N 3.34Å; V358-V427 HydrophobicContact CB-CG1 4.47Å; V358-V427 HydrophobicContact CG2-CG1 4.03Å; V358-T431 HydrophobicContact CG1-CG2 3.37Å; V358-T431 HydrophobicContact CG2-CG2 4.45Å
359E89.4Confident91.8Very high93 Ų9348.5 Ų48.544%0.43526%0.264SS..EExtended strand (participates in β ladder)trans-79.7129.4168.9-171.4-176.9168.500109.9G330G330-E359 CarbonylContact O-C 3.57Å; G330-E359 WeakPolarHBondContact O-CA 3.42Å
360V91.2Very high91.6Very high3 Ų353.9 Ų53.92%0.01829%0.289CS..PPolyproline II helixtrans-100.6116.6179.5179.90000108.5G330 V332 M362 A404 V406 L430G330-V360 PolarHBondContact O-N 3.24Å; V332-V360 HydrophobicContact CG1-CG2 3.61Å; V360-M362 HydrophobicContact CG1-CG 4.15Å; V360-M362 PolarHBondContact O-N 2.98Å; V360-A404 HydrophobicContact CB-CB 4.43Å; V360-A404 HydrophobicContact CG2-CB 3.95Å; V360-V406 HydrophobicContact CG1-CG2 4.43Å; V360-L430 HydrophobicContact CG1-CB 4.25Å; V360-L430 HydrophobicContact CG1-CD1 4.14Å; V360-L430 HydrophobicContact CG1-CD2 3.94Å; V360-L430 HydrophobicContact CG1-CG 4.32Å; V360-L430 HydrophobicContact CG2-CB 4.34Å; V360-L430 HydrophobicContact CG2-CD1 3.92Å
361P90.5Very high91.5Very high15 Ų1553 Ų5310%0.09729%0.285CS..PPolyproline II helixtrans-64.4120173.7-22.534.8000110.6P368 L433 K435P361-P368 HydrophobicContact CB-CG 4.2Å; P361-P368 VanDerWaalsContact O-CD 3.24Å; P361-P368 WeakPolarHBondContact O-CD 3.18Å; P361-L433 HydrophobicContact CB-CB 4.01Å; P361-L433 HydrophobicContact CG-CB 3.98Å; P361-K435 HydrophobicContact CB-CG 4.15Å
362M89.3Confident91.6Very high41 Ų4151.2 Ų51.220%0.20228%0.278CS..  trans-124.4152.7178.4-60.8-172.8-60.600111.3V360 V406V360-M362 HydrophobicContact CG1-CG 4.15Å; V360-M362 PolarHBondContact O-N 2.98Å; M362-V406 HydrophobicContact CG-CG2 4.19Å; M362-V406 HydrophobicContact SD-CG2 3.72Å
363V88.3Confident91.6Very high80 Ų8048.7 Ų48.749%0.48527%0.265SS..BIsolated β-bridgetrans-126110.2170.1177.90000107.5T365 T366 P368V363-T365 PolarHBondContact O-N 3.44Å; V363-T365 VanDerWaalsContact O-N 3.15Å; V363-T366 PolarHBondContact N-O 3.3Å; V363-T366 PolarHBondContact O-N 3.32Å; V363-T366 VanDerWaalsContact O-N 3.12Å; V363-P368 HydrophobicContact CG2-CB 4.07Å; V363-P368 HydrophobicContact CG2-CG 4.04Å
364G88.6Confident91.5Very high76 Ų7651.6 Ų51.678%0.78428%0.283SS*.THydrogen-bonded Turntrans58.4-117.7-172.500000110.8
365T90.6Very high91.6Very high46 Ų4650.5 Ų50.528%0.28228%0.278SS..THydrogen-bonded Turntrans-98.5-1.1-179.162.20000114.6V363 E387 A407 D408V363-T365 PolarHBondContact O-N 3.44Å; V363-T365 VanDerWaalsContact O-N 3.15Å; T365-E387 HydrophobicContact CG2-CG 4.4Å; T365-A407 PolarHBondContact O-N 2.82Å; T365-A407 VanDerWaalsContact O-N 3.07Å; T365-D408 WeakPolarHBondContact CB-OD2 3.44Å; T365-D408 PolarHBondContact O-N 2.67Å; T365-D408 PolarHBondContact OG1-OD2 2.95Å
366T93.9Very high91.7Very high22 Ų2246.2 Ų46.214%0.13528%0.278CS..BIsolated β-bridgetrans-131.4-178.9-171.5-161.10000113.7V363 P384 A385 D408V363-T366 PolarHBondContact N-O 3.3Å; V363-T366 PolarHBondContact O-N 3.32Å; V363-T366 VanDerWaalsContact O-N 3.12Å; T366-P384 HydrophobicContact CG2-CB 4.14Å; T366-P384 VanDerWaalsContact OG1-CA 3.32Å; T366-P384 WeakPolarHBondContact OG1-CA 3.07Å; T366-A385 PolarHBondContact OG1-N 2.84Å; T366-A385 VanDerWaalsContact OG1-N 3.09Å; T366-D408 VanDerWaalsContact CB-O 3.27Å; T366-D408 WeakPolarHBondContact CB-O 3.46Å; T366-D408 PolarHBondContact OG1-O 2.96Å
367L93.4Very high91.7Very high3 Ų345.7 Ų45.72%0.01629%0.286CS..  trans-81.6153178.5-56.5-178.3000111.5H369 M382 P384 V406 V409 L430 L433L367-H369 PolarHBondContact O-N 2.89Å; L367-M382 HydrophobicContact CD1-CB 3.78Å; L367-P384 WeakPolarHBondContact O-CB 3.19Å; L367-V406 HydrophobicContact CD2-CG1 4.14Å; L367-V406 HydrophobicContact CD2-CG2 3.89Å; L367-V406 HydrophobicContact CG-CG1 4.42Å; L367-V409 HydrophobicContact CD1-CG2 3.89Å; L367-V409 HydrophobicContact CG-CG2 4.34Å; L367-L430 HydrophobicContact CD1-CD2 4.25Å; L367-L430 HydrophobicContact CD2-CD2 3.84Å; L367-L433 HydrophobicContact CB-CD1 4.26Å; L367-L433 HydrophobicContact CD1-CD1 4.29Å; L367-L433 HydrophobicContact CD2-CD1 3.8Å; L367-L433 HydrophobicContact CG-CD1 4.33Å
368P92Very high91.7Very high36 Ų3645.2 Ų45.223%0.23428%0.284CS..SBendtrans-64.3-40.1179.3-20.830.1000114.6P361 V363 L433 K434P361-P368 HydrophobicContact CB-CG 4.2Å; P361-P368 VanDerWaalsContact O-CD 3.24Å; P361-P368 WeakPolarHBondContact O-CD 3.18Å; V363-P368 HydrophobicContact CG2-CB 4.07Å; V363-P368 HydrophobicContact CG2-CG 4.04Å; P368-L433 HydrophobicContact CG-CB 4.43Å; P368-K434 WeakPolarHBondContact CB-O 3.45Å
369H92.2Very high92Very high78 Ų7850.3 Ų50.336%0.36130%0.302SS..SBendtrans-155.4170.4-178.859.563000110.9L367 L433 K434L367-H369 PolarHBondContact O-N 2.89Å; H369-L433 VanDerWaalsContact CE1-CD2 3.46Å; H369-L433 WeakPolarHBondContact CE1-CD2 3.22Å; H369-L433 WeakPolarHBondContact O-CD2 3.22Å; H369-K434 PolarHBondContact NE2-N 3.24Å
370E94Very high92.3Very high112 Ų11245.9 Ų45.952%0.52328%0.281SS..  trans-68.3145.9174.563.9175.8-154.300112.1M382 K383E370-M382 WeakPolarHBondContact CA-O 3.43Å; E370-K383 HydrophobicContact CB-CG 4.02Å; E370-K383 WeakPolarHBondContact OE2-CE 3.46Å; E370-K383 IonicContact OE2-NZ 3.72Å; E370-K383 PolarHBondContact OE2-NZ 3.38Å
371V94.8Very high92.5Very high13 Ų1347.6 Ų47.68%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-147.9147.8178.168.10000110.9M382 G429 Q432 L433V371-M382 HydrophobicContact CG1-CB 4.21Å; V371-M382 HydrophobicContact CG1-CE 3.58Å; V371-M382 PolarHBondContact N-O 2.81Å; V371-M382 PolarHBondContact O-N 3.22Å; V371-G429 WeakPolarHBondContact CG2-O 3.44Å; V371-Q432 HydrophobicContact CG2-CB 4.2Å; V371-L433 HydrophobicContact CB-CD2 3.93Å; V371-L433 HydrophobicContact CG1-CD2 3.77Å; V371-L433 HydrophobicContact CG1-CG 4.33Å
372I94.9Very high92.8Very high71 Ų7146.9 Ų46.936%0.36429%0.285SS..EExtended strand (participates in β ladder)trans-111.8103.7171-58.5176.1000107.8V374 I380 L381I372-V374 HydrophobicContact CG2-CG2 3.99Å; I372-I380 CarbonylContact C-O 3.55Å; I372-I380 WeakPolarHBondContact CA-O 3.43Å; I372-L381 HydrophobicContact CD1-CD1 4.4Å; I372-L381 HydrophobicContact CG1-CD1 3.77Å
373G94.5Very high93.1Very high0 Ų049 Ų490%029%0.293CS..EExtended strand (participates in β ladder)trans-75.6133.417200000111.1R379 I380 A425G373-R379 CarbonylContact O-C 3.54Å; G373-R379 WeakPolarHBondContact O-CA 3.42Å; G373-I380 PolarHBondContact N-O 2.7Å; G373-I380 PolarHBondContact O-N 3.22Å; G373-A425 CarbonylContact C-O 3.54Å; G373-A425 WeakPolarHBondContact CA-O 3.45Å
374V93.2Very high93.4Very high62 Ų6247.9 Ų47.938%0.37629%0.287SS..EExtended strand (participates in β ladder)trans-132.1118.2-174.9-177.50000110.1I372 G378 R379 E428I372-V374 HydrophobicContact CG2-CG2 3.99Å; V374-G378 WeakPolarHBondContact CA-O 3.25Å; V374-R379 HydrophobicContact CG1-CG 4.23Å; V374-R379 HydrophobicContact CG2-CG 4.21Å; V374-E428 VanDerWaalsContact O-CD 3.26Å
375F93.3Very high93.7Very high68 Ų6845 Ų4530%0.29826%0.257SS..EExtended strand (participates in β ladder)trans-140117.8172.7-174.1-88.1000110.6G377 G378 N421 R424 A425 E428F375-G377 PolarHBondContact O-N 2.88Å; F375-G378 PolarHBondContact N-O 2.91Å; F375-G378 PolarHBondContact O-N 3.48Å; F375-N421 HydrophobicContact CD1-CB 4.47Å; F375-R424 HydrophobicContact CB-CB 3.96Å; F375-R424 HydrophobicContact CD1-CB 3.62Å; F375-R424 HydrophobicContact CD1-CG 4.28Å; F375-R424 HydrophobicContact CD2-CB 4.04Å; F375-R424 HydrophobicContact CE1-CB 4.18Å; F375-R424 HydrophobicContact CE1-CG 4.36Å; F375-R424 HydrophobicContact CG-CB 3.57Å; F375-R424 VanDerWaalsContact CZ-NH1 3.3Å; F375-A425 HydrophobicContact CB-CB 3.72Å; F375-E428 WeakPolarHBondContact CD2-OE2 3.49Å
376G90.9Very high93.8Very high67 Ų6748.4 Ų48.469%0.69128%0.277SS*.THydrogen-bonded Turntrans55.4-122.1-173.400000111.1
377G89.8Confident93.7Very high47 Ų4754.8 Ų54.849%0.48531%0.305SS..THydrogen-bonded Turntrans-87.8-3174.200000115.1F375 S416F375-G377 PolarHBondContact O-N 2.88Å; G377-S416 WeakPolarHBondContact O-CB 3.45Å; G377-S416 PolarHBondContact O-N 3.17Å
378G90.9Very high93.6Very high0 Ų058.1 Ų58.10%034%0.341CS..EExtended strand (participates in β ladder)trans-84.8129.9179.100000111.1V374 F375V374-G378 WeakPolarHBondContact CA-O 3.25Å; F375-G378 PolarHBondContact N-O 2.91Å; F375-G378 PolarHBondContact O-N 3.48Å
379R95.3Very high93.6Very high124 Ų12459.9 Ų59.947%0.46835%0.354SS..EExtended strand (participates in β ladder)trans-132.9118175-64.618068.9172.70.7108.5G373 V374 L414G373-R379 CarbonylContact O-C 3.54Å; G373-R379 WeakPolarHBondContact O-CA 3.42Å; V374-R379 HydrophobicContact CG1-CG 4.23Å; V374-R379 HydrophobicContact CG2-CG 4.21Å; R379-L414 HydrophobicContact CB-CB 4.15Å; R379-L414 PolarHBondContact O-N 3.43Å
380I96.8Very high93.7Very high0 Ų057.5 Ų57.50%035%0.35CS..EExtended strand (participates in β ladder)trans-121.8116.3-177.5-67.391.9000108.7I372 G373 M382 V397 V422 A425I372-I380 CarbonylContact C-O 3.55Å; I372-I380 WeakPolarHBondContact CA-O 3.43Å; G373-I380 PolarHBondContact N-O 2.7Å; G373-I380 PolarHBondContact O-N 3.22Å; I380-M382 HydrophobicContact CG2-CG 3.89Å; I380-V397 HydrophobicContact CG1-CG2 4.12Å; I380-V397 HydrophobicContact CG2-CG1 4.09Å; I380-V397 HydrophobicContact CG2-CG2 4.14Å; I380-V422 HydrophobicContact CD1-CB 4.26Å; I380-V422 HydrophobicContact CD1-CG1 3.97Å; I380-V422 HydrophobicContact CD1-CG2 4.44Å; I380-V422 HydrophobicContact CG1-CG1 4.12Å; I380-A425 HydrophobicContact CD1-CB 3.36Å
381L96Very high93.7Very high38 Ų3853.4 Ų53.420%0.19933%0.333CS..EExtended strand (participates in β ladder)trans-81.5126.3168.4174.165.1000108.3I372 K383 S411 K412 L414I372-L381 HydrophobicContact CD1-CD1 4.4Å; I372-L381 HydrophobicContact CG1-CD1 3.77Å; L381-K383 HydrophobicContact CD1-CG 4.16Å; L381-K383 HydrophobicContact CG-CG 4.23Å; L381-S411 CarbonylContact O-C 3.52Å; L381-S411 WeakPolarHBondContact O-CA 3.34Å; L381-S411 VanDerWaalsContact O-CB 3.28Å; L381-S411 WeakPolarHBondContact O-CB 3.38Å; L381-K412 PolarHBondContact N-O 2.9Å; L381-K412 PolarHBondContact O-N 2.91Å; L381-L414 HydrophobicContact CB-CD1 4.08Å; L381-L414 HydrophobicContact CB-CG 4.47Å
382M96.2Very high93.7Very high0 Ų055.2 Ų55.20%035%0.349CS..EExtended strand (participates in β ladder)trans-121128.1170.7-61.8179-69.700108.3L367 E370 V371 I380 L401 V409 T426 L430L367-M382 HydrophobicContact CD1-CB 3.78Å; E370-M382 WeakPolarHBondContact CA-O 3.43Å; V371-M382 HydrophobicContact CG1-CB 4.21Å; V371-M382 HydrophobicContact CG1-CE 3.58Å; V371-M382 PolarHBondContact N-O 2.81Å; V371-M382 PolarHBondContact O-N 3.22Å; I380-M382 HydrophobicContact CG2-CG 3.89Å; M382-L401 HydrophobicContact SD-CD2 4.13Å; M382-V409 HydrophobicContact CB-CG2 4.46Å; M382-T426 HydrophobicContact CE-CG2 4.5Å; M382-T426 HydrophobicContact SD-CG2 3.8Å; M382-L430 HydrophobicContact CE-CD2 3.82Å; M382-L430 HydrophobicContact CE-CG 3.97Å; M382-L430 HydrophobicContact SD-CD2 3.92Å; M382-L430 HydrophobicContact SD-CG 4.28Å
383K95.4Very high93.7Very high86 Ų8652.3 Ų52.337%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-121.6139.6177.6-67.4-165.5175.3-130.80110E370 L381 V409 T410E370-K383 HydrophobicContact CB-CG 4.02Å; E370-K383 WeakPolarHBondContact OE2-CE 3.46Å; E370-K383 IonicContact OE2-NZ 3.72Å; E370-K383 PolarHBondContact OE2-NZ 3.38Å; L381-K383 HydrophobicContact CD1-CG 4.16Å; L381-K383 HydrophobicContact CG-CG 4.23Å; K383-V409 WeakPolarHBondContact O-CG2 3.38Å; K383-T410 PolarHBondContact N-O 2.86Å; K383-T410 PolarHBondContact O-N 2.94Å
384P94.9Very high93.7Very high56 Ų5654.3 Ų54.336%0.36436%0.356SS..EExtended strand (participates in β ladder)trans-59.8149.9169.327.1-33.6000110.5T366 L367T366-P384 HydrophobicContact CG2-CB 4.14Å; T366-P384 VanDerWaalsContact OG1-CA 3.32Å; T366-P384 WeakPolarHBondContact OG1-CA 3.07Å; L367-P384 WeakPolarHBondContact O-CB 3.19Å
385A94.4Very high93.7Very high17 Ų1753.6 Ų53.614%0.1436%0.362CS..  trans-128.9161.3178.800000110T366 D408T366-A385 PolarHBondContact OG1-N 2.84Å; T366-A385 VanDerWaalsContact OG1-N 3.09Å; A385-D408 HydrophobicContact CB-CB 4.28Å
386V92.3Very high93.8Very high117 Ų11751.8 Ų51.871%0.70936%0.357SS*.  trans-68.9147.4176.1-178.80000109.3G388 S389V386-G388 PolarHBondContact O-N 3.27Å; V386-S389 VanDerWaalsContact O-CB 3.25Å; V386-S389 WeakPolarHBondContact O-CB 3.22Å; V386-S389 PolarHBondContact O-N 3.35Å; V386-S389 VanDerWaalsContact O-N 3.1Å; V386-S389 PolarHBondContact O-OG 3.31Å
387E92.2Very high94Very high155 Ų15548.8 Ų48.872%0.72433%0.325SS*.THydrogen-bonded Turntrans-52.1130177.4-169.2176.3178.400111.6T365 D408T365-E387 HydrophobicContact CG2-CG 4.4Å; E387-D408 WeakPolarHBondContact CA-OD2 3.41Å
388G91.9Very high94.3Very high74 Ų7451.1 Ų51.176%0.76332%0.319SS*.THydrogen-bonded Turntrans89.30.6-177.200000115.6V386 G390 D408V386-G388 PolarHBondContact O-N 3.27Å; G388-G390 VanDerWaalsContact C-N 3.3Å; G388-D408 WeakPolarHBondContact CA-OD1 3.46Å; G388-D408 VanDerWaalsContact N-CG 3.34Å; G388-D408 PolarHBondContact N-OD1 2.99Å; G388-D408 PolarHBondContact N-OD2 3.37Å
389S91.6Very high94.6Very high73 Ų7351.3 Ų51.351%0.5132%0.321SS..  trans-69.8-25.9174.3-59.90000113.1V386 D408V386-S389 VanDerWaalsContact O-CB 3.25Å; V386-S389 WeakPolarHBondContact O-CB 3.22Å; V386-S389 PolarHBondContact O-N 3.35Å; V386-S389 VanDerWaalsContact O-N 3.1Å; V386-S389 PolarHBondContact O-OG 3.31Å; S389-D408 PolarHBondContact N-OD1 3.14Å
390G94Very high94.6Very high28 Ų2845.4 Ų45.429%0.28930%0.299SS..  trans73.9-175.6-175.200000114.1G388 A392 A407 D408 V409G388-G390 VanDerWaalsContact C-N 3.3Å; G390-A392 PolarHBondContact O-N 3.23Å; G390-A407 CarbonylContact C-O 3.6Å; G390-A407 WeakPolarHBondContact CA-O 3.46Å; G390-D408 PolarHBondContact N-OD1 3.15Å; G390-V409 PolarHBondContact O-N 3.1Å; G390-V409 VanDerWaalsContact O-N 3.09Å
391V95.3Very high94.6Very high26 Ų2645.4 Ų45.416%0.15830%0.299CS..EExtended strand (participates in β ladder)trans-92.888.7-177.2-173.30000111.5A393 R398 L401 E402 V406 A407 V409V391-A393 HydrophobicContact CG1-CB 3.94Å; V391-A393 PolarHBondContact O-N 2.84Å; V391-A393 VanDerWaalsContact O-N 3.08Å; V391-R398 HydrophobicContact CG1-CB 4.44Å; V391-R398 HydrophobicContact CG1-CG 4.06Å; V391-R398 PolarHBondContact O-NE 2.88Å; V391-L401 HydrophobicContact CG1-CB 4.01Å; V391-L401 HydrophobicContact CG1-CD1 4.24Å; V391-E402 HydrophobicContact CB-CG 4.44Å; V391-E402 HydrophobicContact CG2-CG 4.1Å; V391-V406 WeakPolarHBondContact CG2-O 3.33Å; V391-A407 VanDerWaalsContact CG2-O 3.26Å; V391-A407 WeakPolarHBondContact CG2-O 3.35Å; V391-A407 PolarHBondContact N-O 3.47Å; V391-V409 HydrophobicContact CB-CG1 4.33Å; V391-V409 HydrophobicContact CG1-CG1 3.84Å; V391-V409 HydrophobicContact CG2-CG1 4.28Å
392A94.8Very high94.5Very high50 Ų5046.7 Ų46.741%0.41330%0.304SS..EExtended strand (participates in β ladder)trans-8279.5174.400000110.9G390 V409 S411G390-A392 PolarHBondContact O-N 3.23Å; A392-V409 PolarHBondContact N-O 2.99Å; A392-S411 PolarHBondContact O-N 3.42Å; A392-S411 PolarHBondContact O-OG 3.47Å
393A94.2Very high94.5Very high10 Ų1046.8 Ų46.88%0.08330%0.304CS..  trans-138.9157.5-175.400000115V391 V397 R398 L401 S411V391-A393 HydrophobicContact CG1-CB 3.94Å; V391-A393 PolarHBondContact O-N 2.84Å; V391-A393 VanDerWaalsContact O-N 3.08Å; A393-V397 HydrophobicContact CB-CB 4.11Å; A393-V397 HydrophobicContact CB-CG1 4.13Å; A393-R398 HydrophobicContact CB-CB 3.99Å; A393-R398 PolarHBondContact O-NH1 3.49Å; A393-R398 VanDerWaalsContact O-NH1 3.14Å; A393-R398 PolarHBondContact O-NH2 2.84Å; A393-L401 HydrophobicContact CB-CD1 4.07Å; A393-S411 WeakPolarHBondContact CA-OG 3.27Å; A393-S411 WeakPolarHBondContact CB-OG 3.42Å
394G93.3Very high94.4Very high43 Ų4342.7 Ų42.744%0.44329%0.286SS..  trans-67.4153.3170.400000111.3V397 R398G394-V397 PolarHBondContact O-N 3.06Å; G394-R398 WeakPolarHBondContact O-CB 3.28Å; G394-R398 PolarHBondContact O-N 2.94Å
395G93.9Very high94.4Very high47 Ų4741.1 Ų41.149%0.48528%0.281SS..Hα-helixtrans-43.9-52.3-172.900000116V397 R398 A399G395-V397 PolarHBondContact O-N 2.72Å; G395-R398 PolarHBondContact O-N 3.35Å; G395-A399 PolarHBondContact O-N 2.96Å; G395-A399 VanDerWaalsContact O-N 3.08Å
396P95.3Very high94.4Very high30 Ų3040.4 Ų40.420%0.19527%0.274CS..Hα-helixtrans-64.6-38.1178-23.734.4000114.3V302 P419 V422 V423V302-P396 HydrophobicContact CG1-CB 3.81Å; V302-P396 HydrophobicContact CG1-CG 4.06Å; P396-P419 HydrophobicContact CG-CB 4.21Å; P396-V422 HydrophobicContact CB-CB 4.28Å; P396-V422 HydrophobicContact CB-CG1 3.87Å; P396-V422 HydrophobicContact CG-CG1 4.48Å; P396-V423 HydrophobicContact CB-CG2 4.05Å
397V96Very high94.4Very high4 Ų437 Ų372%0.02426%0.259CS..Hα-helixtrans-72.1-42.8179.2-172.40000110.1I380 A393 G394 G395 A399 V400 L401 V422 T426I380-V397 HydrophobicContact CG1-CG2 4.12Å; I380-V397 HydrophobicContact CG2-CG1 4.09Å; I380-V397 HydrophobicContact CG2-CG2 4.14Å; A393-V397 HydrophobicContact CB-CB 4.11Å; A393-V397 HydrophobicContact CB-CG1 4.13Å; G394-V397 PolarHBondContact O-N 3.06Å; G395-V397 PolarHBondContact O-N 2.72Å; V397-A399 VanDerWaalsContact C-N 3.3Å; V397-A399 PolarHBondContact O-N 3.46Å; V397-V400 PolarHBondContact O-N 3.08Å; V397-V400 VanDerWaalsContact O-N 3.11Å; V397-L401 HydrophobicContact CG1-CD1 3.59Å; V397-L401 HydrophobicContact CG1-CG 4.29Å; V397-L401 WeakPolarHBondContact O-CG 3.38Å; V397-L401 PolarHBondContact O-N 3.49Å; V397-V422 HydrophobicContact CG2-CG1 3.32Å; V397-T426 HydrophobicContact CG1-CG2 3.83Å
398R96.4Very high94.5Very high95 Ų9530 Ų3036%0.35823%0.226SC..Hα-helixtrans-56.9-42.9175.5-177.8179.7-71.1121.5-3.5111.5V391 A393 G394 G395 V400 L401 E402V391-R398 HydrophobicContact CG1-CB 4.44Å; V391-R398 HydrophobicContact CG1-CG 4.06Å; V391-R398 PolarHBondContact O-NE 2.88Å; A393-R398 HydrophobicContact CB-CB 3.99Å; A393-R398 PolarHBondContact O-NH1 3.49Å; A393-R398 VanDerWaalsContact O-NH1 3.14Å; A393-R398 PolarHBondContact O-NH2 2.84Å; G394-R398 WeakPolarHBondContact O-CB 3.28Å; G394-R398 PolarHBondContact O-N 2.94Å; G395-R398 PolarHBondContact O-N 3.35Å; R398-V400 VanDerWaalsContact C-N 3.29Å; R398-V400 PolarHBondContact O-N 3.36Å; R398-L401 PolarHBondContact O-N 2.82Å; R398-E402 WeakPolarHBondContact CD-OE1 3.31Å; R398-E402 HydrophobicContact CG-CG 4.08Å; R398-E402 WeakPolarHBondContact CG-OE1 3.43Å; R398-E402 WeakPolarHBondContact O-CB 3.34Å; R398-E402 WeakPolarHBondContact O-CG 3.37Å; R398-E402 PolarHBondContact O-N 3.14Å
399A95.7Very high94.7Very high5 Ų526.5 Ų26.54%0.04119%0.19CC..Hα-helixtrans-59.8-38.7177.200000112.8V302 G395 V397 L403V302-A399 HydrophobicContact CG2-CB 3.83Å; G395-A399 PolarHBondContact O-N 2.96Å; G395-A399 VanDerWaalsContact O-N 3.08Å; V397-A399 VanDerWaalsContact C-N 3.3Å; V397-A399 PolarHBondContact O-N 3.46Å; A399-L403 WeakPolarHBondContact O-CB 3.39Å; A399-L403 WeakPolarHBondContact O-CG 3.18Å; A399-L403 PolarHBondContact O-N 3.37Å
400V96.2Very high94.9Very high0 Ų026.4 Ų26.40%019%0.187CC..Hα-helixtrans-71-47.6176.5178.80000111.1V324 V332 V397 R398 L403 A404 V423 T426 V427 L430V324-V400 HydrophobicContact CG1-CG2 4.12Å; V324-V400 HydrophobicContact CG2-CG2 3.99Å; V332-V400 HydrophobicContact CG1-CG1 4.17Å; V332-V400 HydrophobicContact CG2-CG1 4.03Å; V397-V400 PolarHBondContact O-N 3.08Å; V397-V400 VanDerWaalsContact O-N 3.11Å; R398-V400 VanDerWaalsContact C-N 3.29Å; R398-V400 PolarHBondContact O-N 3.36Å; V400-L403 PolarHBondContact O-N 2.92Å; V400-A404 VanDerWaalsContact O-CB 3.25Å; V400-A404 WeakPolarHBondContact O-CB 3.45Å; V400-A404 PolarHBondContact O-N 3.11Å; V400-V423 HydrophobicContact CG2-CB 4.43Å; V400-V423 HydrophobicContact CG2-CG1 3.93Å; V400-V423 HydrophobicContact CG2-CG2 4.18Å; V400-T426 HydrophobicContact CB-CG2 4.07Å; V400-T426 HydrophobicContact CG1-CG2 3.89Å; V400-V427 HydrophobicContact CG1-CG2 4.02Å; V400-L430 HydrophobicContact CG1-CD1 3.97Å
401L95.7Very high95Very high0 Ų025.9 Ų25.90%018%0.179CC..Hα-helixtrans-68-42.5-174.8-68166.1000112.7M382 V391 A393 V397 R398 A404 G405 V406 V409 L430M382-L401 HydrophobicContact SD-CD2 4.13Å; V391-L401 HydrophobicContact CG1-CB 4.01Å; V391-L401 HydrophobicContact CG1-CD1 4.24Å; A393-L401 HydrophobicContact CB-CD1 4.07Å; V397-L401 HydrophobicContact CG1-CD1 3.59Å; V397-L401 HydrophobicContact CG1-CG 4.29Å; V397-L401 WeakPolarHBondContact O-CG 3.38Å; V397-L401 PolarHBondContact O-N 3.49Å; R398-L401 PolarHBondContact O-N 2.82Å; L401-A404 PolarHBondContact O-N 3.33Å; L401-G405 PolarHBondContact O-N 2.96Å; L401-V406 HydrophobicContact CB-CB 4.41Å; L401-V406 HydrophobicContact CD2-CB 4.33Å; L401-V406 HydrophobicContact CD2-CG2 4.28Å; L401-V406 PolarHBondContact O-N 3.49Å; L401-V409 HydrophobicContact CB-CG1 4.35Å; L401-V409 HydrophobicContact CD1-CG1 3.65Å; L401-V409 HydrophobicContact CD1-CG2 4.25Å; L401-V409 HydrophobicContact CD2-CG1 4.41Å; L401-V409 HydrophobicContact CG-CG1 4.35Å; L401-L430 HydrophobicContact CD2-CD1 4.35Å; L401-L430 HydrophobicContact CD2-CD2 4.14Å
402E95.4Very high95Very high65 Ų6531.2 Ų31.230%0.30420%0.199SC..Hα-helixtrans-66.1-41.8177.1-73.5179.5-165.600112.1R300 V391 R398 A404 G405R300-E402 IonicContact CZ-OE2 3.49Å; R300-E402 IonicContact NH1-OE2 2.61Å; R300-E402 PolarHBondContact NH1-OE2 3.49Å; R300-E402 IonicContact NH2-OE2 3.55Å; R300-E402 PolarHBondContact NH2-OE2 2.8Å; V391-E402 HydrophobicContact CB-CG 4.44Å; V391-E402 HydrophobicContact CG2-CG 4.1Å; R398-E402 WeakPolarHBondContact CD-OE1 3.31Å; R398-E402 HydrophobicContact CG-CG 4.08Å; R398-E402 WeakPolarHBondContact CG-OE1 3.43Å; R398-E402 WeakPolarHBondContact O-CB 3.34Å; R398-E402 WeakPolarHBondContact O-CG 3.37Å; R398-E402 PolarHBondContact O-N 3.14Å; E402-A404 VanDerWaalsContact C-N 3.3Å; E402-A404 PolarHBondContact O-N 2.86Å; E402-G405 PolarHBondContact O-N 3.09Å; E402-G405 VanDerWaalsContact O-N 3.14Å
403L95.6Very high95Very high1 Ų130.5 Ų30.51%0.00519%0.192CC..Hα-helixtrans-72.3-25177.6-73.2177.2000112.8E298 R300 V324 G326 D327 K328 V332 A399 V400 G405E298-L403 HydrophobicContact CB-CD2 3.8Å; R300-L403 HydrophobicContact CB-CD1 3.71Å; V324-L403 HydrophobicContact CB-CD1 3.92Å; V324-L403 HydrophobicContact CG1-CB 4.44Å; V324-L403 HydrophobicContact CG1-CD1 3.66Å; V324-L403 WeakPolarHBondContact O-CD1 3.07Å; G326-L403 CarbonylContact C-O 3.5Å; G326-L403 WeakPolarHBondContact CA-O 3.4Å; D327-L403 PolarHBondContact N-O 3.23Å; K328-L403 WeakPolarHBondContact CA-O 3.47Å; K328-L403 PolarHBondContact N-O 2.82Å; V332-L403 HydrophobicContact CG2-CB 4.29Å; A399-L403 WeakPolarHBondContact O-CB 3.39Å; A399-L403 WeakPolarHBondContact O-CG 3.18Å; A399-L403 PolarHBondContact O-N 3.37Å; V400-L403 PolarHBondContact O-N 2.92Å; L403-G405 VanDerWaalsContact C-N 3.25Å
404A94.2Very high95Very high0 Ų034.7 Ų34.70%021%0.212CC..Hα-helixtrans-73.1-16.417000000113.1G330 V332 V360 V400 L401 E402 V406G330-A404 WeakPolarHBondContact CA-O 3.4Å; G330-A404 PolarHBondContact N-O 3.5Å; V332-A404 HydrophobicContact CB-CB 3.93Å; V332-A404 HydrophobicContact CG1-CB 4.1Å; V332-A404 HydrophobicContact CG2-CB 4.45Å; V360-A404 HydrophobicContact CB-CB 4.43Å; V360-A404 HydrophobicContact CG2-CB 3.95Å; V400-A404 VanDerWaalsContact O-CB 3.25Å; V400-A404 WeakPolarHBondContact O-CB 3.45Å; V400-A404 PolarHBondContact O-N 3.11Å; L401-A404 PolarHBondContact O-N 3.33Å; E402-A404 VanDerWaalsContact C-N 3.3Å; E402-A404 PolarHBondContact O-N 2.86Å; A404-V406 HydrophobicContact CB-CG2 4.32Å
405G93.5Very high94.9Very high24 Ų2434.1 Ų34.125%0.24721%0.207CC..THydrogen-bonded Turntrans91.19.1-176.800000115K328 L401 E402 L403 A407K328-G405 VanDerWaalsContact C-CA 3.5Å; K328-G405 VanDerWaalsContact O-CA 3.22Å; K328-G405 WeakPolarHBondContact O-CA 3.36Å; L401-G405 PolarHBondContact O-N 2.96Å; E402-G405 PolarHBondContact O-N 3.09Å; E402-G405 VanDerWaalsContact O-N 3.14Å; L403-G405 VanDerWaalsContact C-N 3.25Å; G405-A407 PolarHBondContact O-N 3.09Å
406V94.3Very high94.8Very high1 Ų134 Ų341%0.00620%0.198CC..  trans-78.6111.7177-176.60000108.6V360 M362 L367 V391 L401 A404 V409V360-V406 HydrophobicContact CG1-CG2 4.43Å; M362-V406 HydrophobicContact CG-CG2 4.19Å; M362-V406 HydrophobicContact SD-CG2 3.72Å; L367-V406 HydrophobicContact CD2-CG1 4.14Å; L367-V406 HydrophobicContact CD2-CG2 3.89Å; L367-V406 HydrophobicContact CG-CG1 4.42Å; V391-V406 WeakPolarHBondContact CG2-O 3.33Å; L401-V406 HydrophobicContact CB-CB 4.41Å; L401-V406 HydrophobicContact CD2-CB 4.33Å; L401-V406 HydrophobicContact CD2-CG2 4.28Å; L401-V406 PolarHBondContact O-N 3.49Å; A404-V406 HydrophobicContact CB-CG2 4.32Å; V406-V409 HydrophobicContact CG1-CB 3.88Å; V406-V409 HydrophobicContact CG1-CG1 3.82Å
407A92.2Very high94.6Very high47 Ų4738.2 Ų38.239%0.38822%0.219SC..  trans-86-34.7-178.300000112.5T365 G390 V391 G405T365-A407 PolarHBondContact O-N 2.82Å; T365-A407 VanDerWaalsContact O-N 3.07Å; G390-A407 CarbonylContact C-O 3.6Å; G390-A407 WeakPolarHBondContact CA-O 3.46Å; V391-A407 VanDerWaalsContact CG2-O 3.26Å; V391-A407 WeakPolarHBondContact CG2-O 3.35Å; V391-A407 PolarHBondContact N-O 3.47Å; G405-A407 PolarHBondContact O-N 3.09Å
408D95.9Very high94.6Very high7 Ų741 Ų414%0.03724%0.236CC..SBendtrans-123.6110.1-172.2-62.2-62.1000111.6T365 T366 A385 E387 G388 S389 G390T365-D408 WeakPolarHBondContact CB-OD2 3.44Å; T365-D408 PolarHBondContact O-N 2.67Å; T365-D408 PolarHBondContact OG1-OD2 2.95Å; T366-D408 VanDerWaalsContact CB-O 3.27Å; T366-D408 WeakPolarHBondContact CB-O 3.46Å; T366-D408 PolarHBondContact OG1-O 2.96Å; A385-D408 HydrophobicContact CB-CB 4.28Å; E387-D408 WeakPolarHBondContact CA-OD2 3.41Å; G388-D408 WeakPolarHBondContact CA-OD1 3.46Å; G388-D408 VanDerWaalsContact N-CG 3.34Å; G388-D408 PolarHBondContact N-OD1 2.99Å; G388-D408 PolarHBondContact N-OD2 3.37Å; S389-D408 PolarHBondContact N-OD1 3.14Å; G390-D408 PolarHBondContact N-OD1 3.15Å
409V95.8Very high94.4Very high0 Ų038.6 Ų38.60%023%0.233CC..EExtended strand (participates in β ladder)trans-164139.6-177.857.90000111.4L367 M382 K383 G390 V391 A392 L401 V406L367-V409 HydrophobicContact CD1-CG2 3.89Å; L367-V409 HydrophobicContact CG-CG2 4.34Å; M382-V409 HydrophobicContact CB-CG2 4.46Å; K383-V409 WeakPolarHBondContact O-CG2 3.38Å; G390-V409 PolarHBondContact O-N 3.1Å; G390-V409 VanDerWaalsContact O-N 3.09Å; V391-V409 HydrophobicContact CB-CG1 4.33Å; V391-V409 HydrophobicContact CG1-CG1 3.84Å; V391-V409 HydrophobicContact CG2-CG1 4.28Å; A392-V409 PolarHBondContact N-O 2.99Å; L401-V409 HydrophobicContact CB-CG1 4.35Å; L401-V409 HydrophobicContact CD1-CG1 3.65Å; L401-V409 HydrophobicContact CD1-CG2 4.25Å; L401-V409 HydrophobicContact CD2-CG1 4.41Å; L401-V409 HydrophobicContact CG-CG1 4.35Å; V406-V409 HydrophobicContact CG1-CB 3.88Å; V406-V409 HydrophobicContact CG1-CG1 3.82Å
410T96.2Very high94.4Very high72 Ų7241 Ų4144%0.44225%0.245SC..EExtended strand (participates in β ladder)trans-106.3128.9171.1-60.40000109.7K383K383-T410 PolarHBondContact N-O 2.86Å; K383-T410 PolarHBondContact O-N 2.94Å
411S95.6Very high94.3Very high17 Ų1742.8 Ų42.812%0.11925%0.254CS..EExtended strand (participates in β ladder)trans-132151.5176.972.20000114L381 A392 A393L381-S411 CarbonylContact O-C 3.52Å; L381-S411 WeakPolarHBondContact O-CA 3.34Å; L381-S411 VanDerWaalsContact O-CB 3.28Å; L381-S411 WeakPolarHBondContact O-CB 3.38Å; A392-S411 PolarHBondContact O-N 3.42Å; A392-S411 PolarHBondContact O-OG 3.47Å; A393-S411 WeakPolarHBondContact CA-OG 3.27Å; A393-S411 WeakPolarHBondContact CB-OG 3.42Å
412K95.6Very high94.3Very high137 Ų13743.1 Ų43.160%0.59626%0.256SS*.EExtended strand (participates in β ladder)trans-138.9129175-172.369.2178-166.90110.3L381 L414L381-K412 PolarHBondContact N-O 2.9Å; L381-K412 PolarHBondContact O-N 2.91Å; K412-L414 HydrophobicContact CG-CD2 4.01Å
413S94.1Very high94.4Very high36 Ų3640 Ų4025%0.25224%0.241SC..EExtended strand (participates in β ladder)trans-76123.1166-177.20000109.4N417S413-N417 VanDerWaalsContact CB-OD1 3.28Å; S413-N417 WeakPolarHBondContact CB-OD1 3.44Å; S413-N417 PolarHBondContact OG-OD1 3.5Å
414L93.7Very high94.3Very high97 Ų9743.9 Ų43.951%0.50826%0.256SS..  trans-106.12.9179.2-60.2177.8000112.4R379 L381 K412R379-L414 HydrophobicContact CB-CB 4.15Å; R379-L414 PolarHBondContact O-N 3.43Å; L381-L414 HydrophobicContact CB-CD1 4.08Å; L381-L414 HydrophobicContact CB-CG 4.47Å; K412-L414 HydrophobicContact CG-CD2 4.01Å
415G90.9Very high94.4Very high32 Ų3243.9 Ų43.933%0.3326%0.256SS..SBendtrans-144.2-144.6-173.100000113.1N417G415-N417 PolarHBondContact O-N 2.9Å
416S92.8Very high94.5Very high45 Ų4542.7 Ų42.732%0.31524%0.244SC..  trans-61.8130.9177.9-176.20000111.5G377 T418 V422G377-S416 WeakPolarHBondContact O-CB 3.45Å; G377-S416 PolarHBondContact O-N 3.17Å; S416-T418 VanDerWaalsContact C-N 3.29Å; S416-T418 PolarHBondContact O-N 3.38Å; S416-T418 PolarHBondContact OG-N 3.43Å; S416-T418 PolarHBondContact OG-OG1 2.64Å; S416-V422 WeakPolarHBondContact O-CG2 3.37Å
417N91.2Very high94.6Very high117 Ų11743.2 Ų43.263%0.62625%0.247SC*.  trans-90.619.9177.6-65.6-39.3000113.5S413 G415 P419S413-N417 VanDerWaalsContact CB-OD1 3.28Å; S413-N417 WeakPolarHBondContact CB-OD1 3.44Å; S413-N417 PolarHBondContact OG-OD1 3.5Å; G415-N417 PolarHBondContact O-N 2.9Å; N417-P419 WeakPolarHBondContact O-CD 3.28Å
418T94.6Very high94.6Very high63 Ų6344.5 Ų44.539%0.38725%0.245SC..  trans-65119.2177.2-49.70000109.7S416 I420 N421 V422S416-T418 VanDerWaalsContact C-N 3.29Å; S416-T418 PolarHBondContact O-N 3.38Å; S416-T418 PolarHBondContact OG-N 3.43Å; S416-T418 PolarHBondContact OG-OG1 2.64Å; T418-I420 VanDerWaalsContact C-N 3.3Å; T418-I420 HydrophobicContact CG2-CG2 3.96Å; T418-I420 PolarHBondContact O-N 3.06Å; T418-I420 VanDerWaalsContact O-N 3.1Å; T418-N421 PolarHBondContact O-N 2.82Å; T418-V422 WeakPolarHBondContact O-CG2 3.37Å; T418-V422 PolarHBondContact O-N 3.38Å
419P94Very high94.5Very high45 Ų4544.1 Ų44.129%0.29224%0.243SC..Hα-helixtrans-52.7-42-169.4-30.735.5000114.9V302 A303 L322 P396 N417 V422 V423V302-P419 HydrophobicContact CG1-CB 4.35Å; A303-P419 HydrophobicContact CB-CB 4.11Å; A303-P419 HydrophobicContact CB-CG 4.32Å; L322-P419 HydrophobicContact CD2-CB 4.04Å; P396-P419 HydrophobicContact CG-CB 4.21Å; N417-P419 WeakPolarHBondContact O-CD 3.28Å; P419-V422 PolarHBondContact O-N 3.4Å; P419-V423 WeakPolarHBondContact O-CG2 3.09Å; P419-V423 PolarHBondContact O-N 2.85Å
420I94.2Very high94.4Very high55 Ų5544.2 Ų44.228%0.28224%0.244SC..Hα-helixtrans-65-41.7178.9-169.9172.9000112.9L322 T336 T418 V422 R424L322-I420 HydrophobicContact CD1-CG1 4.45Å; L322-I420 HydrophobicContact CD2-CB 4.27Å; T336-I420 HydrophobicContact CG2-CD1 3.82Å; T336-I420 HydrophobicContact CG2-CG1 4.45Å; T418-I420 VanDerWaalsContact C-N 3.3Å; T418-I420 HydrophobicContact CG2-CG2 3.96Å; T418-I420 PolarHBondContact O-N 3.06Å; T418-I420 VanDerWaalsContact O-N 3.1Å; I420-V422 VanDerWaalsContact C-N 3.34Å; I420-R424 WeakPolarHBondContact O-CB 3.45Å; I420-R424 VanDerWaalsContact O-CG 3.31Å; I420-R424 WeakPolarHBondContact O-CG 3.34Å; I420-R424 PolarHBondContact O-N 3.03Å; I420-R424 VanDerWaalsContact O-N 3.09Å
421N94.6Very high94.1Very high38 Ų3844.2 Ų44.220%0.20324%0.244CC..Hα-helixtrans-72.5-34.7179.1-70-10000110.5F375 T418 R424 A425F375-N421 HydrophobicContact CD1-CB 4.47Å; T418-N421 PolarHBondContact O-N 2.82Å; N421-R424 PolarHBondContact O-N 2.79Å; N421-A425 VanDerWaalsContact O-CB 3.22Å; N421-A425 WeakPolarHBondContact O-CB 3.49Å; N421-A425 PolarHBondContact O-N 3.08Å
422V96.1Very high93.8Very high6 Ų648 Ų484%0.03626%0.26CS..Hα-helixtrans-64.4-46.9176.2174.10000111I380 P396 V397 S416 T418 P419 I420 A425 T426I380-V422 HydrophobicContact CD1-CB 4.26Å; I380-V422 HydrophobicContact CD1-CG1 3.97Å; I380-V422 HydrophobicContact CD1-CG2 4.44Å; I380-V422 HydrophobicContact CG1-CG1 4.12Å; P396-V422 HydrophobicContact CB-CB 4.28Å; P396-V422 HydrophobicContact CB-CG1 3.87Å; P396-V422 HydrophobicContact CG-CG1 4.48Å; V397-V422 HydrophobicContact CG2-CG1 3.32Å; S416-V422 WeakPolarHBondContact O-CG2 3.37Å; T418-V422 WeakPolarHBondContact O-CG2 3.37Å; T418-V422 PolarHBondContact O-N 3.38Å; P419-V422 PolarHBondContact O-N 3.4Å; I420-V422 VanDerWaalsContact C-N 3.34Å; V422-A425 PolarHBondContact O-N 2.81Å; V422-T426 WeakPolarHBondContact O-CB 3.24Å; V422-T426 PolarHBondContact O-N 2.98Å; V422-T426 PolarHBondContact O-OG1 3.18Å
423V96.3Very high93.6Very high0 Ų041.7 Ų41.70%023%0.232CC..Hα-helixtrans-61-46.6176.1169.50000110.9V302 L322 V324 F334 P396 V400 P419 T426 V427V302-V423 HydrophobicContact CG1-CG2 4.44Å; L322-V423 HydrophobicContact CD2-CG2 4.03Å; V324-V423 HydrophobicContact CG2-CG1 4.14Å; V324-V423 HydrophobicContact CG2-CG2 4.38Å; F334-V423 HydrophobicContact CB-CG1 3.56Å; F334-V423 HydrophobicContact CD1-CG1 4.06Å; F334-V423 HydrophobicContact CD2-CG1 3.95Å; F334-V423 HydrophobicContact CG-CG1 3.55Å; P396-V423 HydrophobicContact CB-CG2 4.05Å; V400-V423 HydrophobicContact CG2-CB 4.43Å; V400-V423 HydrophobicContact CG2-CG1 3.93Å; V400-V423 HydrophobicContact CG2-CG2 4.18Å; P419-V423 WeakPolarHBondContact O-CG2 3.09Å; P419-V423 PolarHBondContact O-N 2.85Å; V423-T426 WeakPolarHBondContact O-CB 3.41Å; V423-T426 PolarHBondContact O-N 2.97Å; V423-V427 WeakPolarHBondContact O-CG2 3.39Å; V423-V427 PolarHBondContact O-N 3.06Å
424R95.6Very high93.2Very high82 Ų8244.7 Ų44.731%0.30924%0.241SC..Hα-helixtrans-60.2-48.9178-75177.9178.2-171.3-3.8112.9F334 F375 I420 N421 T426 V427 E428F334-R424 HydrophobicContact CE1-CG 4.41Å; F334-R424 HydrophobicContact CE2-CG 3.63Å; F334-R424 HydrophobicContact CZ-CG 3.53Å; F375-R424 HydrophobicContact CB-CB 3.96Å; F375-R424 HydrophobicContact CD1-CB 3.62Å; F375-R424 HydrophobicContact CD1-CG 4.28Å; F375-R424 HydrophobicContact CD2-CB 4.04Å; F375-R424 HydrophobicContact CE1-CB 4.18Å; F375-R424 HydrophobicContact CE1-CG 4.36Å; F375-R424 HydrophobicContact CG-CB 3.57Å; F375-R424 VanDerWaalsContact CZ-NH1 3.3Å; I420-R424 WeakPolarHBondContact O-CB 3.45Å; I420-R424 VanDerWaalsContact O-CG 3.31Å; I420-R424 WeakPolarHBondContact O-CG 3.34Å; I420-R424 PolarHBondContact O-N 3.03Å; I420-R424 VanDerWaalsContact O-N 3.09Å; N421-R424 PolarHBondContact O-N 2.79Å; R424-T426 VanDerWaalsContact C-N 3.27Å; R424-T426 PolarHBondContact O-N 3.44Å; R424-V427 PolarHBondContact O-N 2.9Å; R424-E428 WeakPolarHBondContact O-CB 3.46Å; R424-E428 PolarHBondContact O-N 2.87Å
425A95.8Very high92.9Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-62.5-35.8177.400000111.6G373 F375 I380 N421 V422 G429G373-A425 CarbonylContact C-O 3.54Å; G373-A425 WeakPolarHBondContact CA-O 3.45Å; F375-A425 HydrophobicContact CB-CB 3.72Å; I380-A425 HydrophobicContact CD1-CB 3.36Å; N421-A425 VanDerWaalsContact O-CB 3.22Å; N421-A425 WeakPolarHBondContact O-CB 3.49Å; N421-A425 PolarHBondContact O-N 3.08Å; V422-A425 PolarHBondContact O-N 2.81Å; A425-G429 PolarHBondContact O-N 3.03Å
426T96.1Very high92.5Very high0 Ų044.1 Ų44.10%024%0.235CC..Hα-helixtrans-63.1-52.1175.1-54.50000110.6M382 V397 V400 V422 V423 R424 E428 G429 L430M382-T426 HydrophobicContact CE-CG2 4.5Å; M382-T426 HydrophobicContact SD-CG2 3.8Å; V397-T426 HydrophobicContact CG1-CG2 3.83Å; V400-T426 HydrophobicContact CB-CG2 4.07Å; V400-T426 HydrophobicContact CG1-CG2 3.89Å; V422-T426 WeakPolarHBondContact O-CB 3.24Å; V422-T426 PolarHBondContact O-N 2.98Å; V422-T426 PolarHBondContact O-OG1 3.18Å; V423-T426 WeakPolarHBondContact O-CB 3.41Å; V423-T426 PolarHBondContact O-N 2.97Å; R424-T426 VanDerWaalsContact C-N 3.27Å; R424-T426 PolarHBondContact O-N 3.44Å; T426-E428 PolarHBondContact O-N 3.25Å; T426-G429 PolarHBondContact O-N 2.8Å; T426-L430 HydrophobicContact CG2-CD1 4.37Å; T426-L430 WeakPolarHBondContact O-CG 3.44Å; T426-L430 PolarHBondContact O-N 3.46Å
427V95.1Very high92Very high12 Ų1247.9 Ų47.97%0.07325%0.248CC..Hα-helixtrans-62.2-42.2179.7174.60000111.5F334 V358 V400 V423 R424 G429 L430 T431F334-V427 HydrophobicContact CD1-CB 4.4Å; F334-V427 HydrophobicContact CD1-CG2 3.84Å; F334-V427 HydrophobicContact CE1-CB 4.28Å; F334-V427 HydrophobicContact CE1-CG1 4.31Å; F334-V427 HydrophobicContact CE1-CG2 4.23Å; V358-V427 HydrophobicContact CB-CG1 4.47Å; V358-V427 HydrophobicContact CG2-CG1 4.03Å; V400-V427 HydrophobicContact CG1-CG2 4.02Å; V423-V427 WeakPolarHBondContact O-CG2 3.39Å; V423-V427 PolarHBondContact O-N 3.06Å; R424-V427 PolarHBondContact O-N 2.9Å; V427-G429 VanDerWaalsContact C-N 3.33Å; V427-G429 PolarHBondContact O-N 2.66Å; V427-L430 PolarHBondContact O-N 2.84Å; V427-L430 VanDerWaalsContact O-N 3.16Å; V427-T431 WeakPolarHBondContact O-CG2 3.47Å; V427-T431 PolarHBondContact O-N 3.43Å; V427-T431 PolarHBondContact O-OG1 3.44Å
428E93.5Very high91.5Very high73 Ų7346 Ų4634%0.34124%0.235SC..Hα-helixtrans-61.2-40.8175.2-174.6168.7178.500112.1V374 F375 R424 T426 T431 Q432V374-E428 VanDerWaalsContact O-CD 3.26Å; F375-E428 WeakPolarHBondContact CD2-OE2 3.49Å; R424-E428 WeakPolarHBondContact O-CB 3.46Å; R424-E428 PolarHBondContact O-N 2.87Å; T426-E428 PolarHBondContact O-N 3.25Å; E428-T431 WeakPolarHBondContact CA-OG1 3.28Å; E428-T431 PolarHBondContact O-N 2.88Å; E428-T431 PolarHBondContact O-OG1 3.44Å; E428-Q432 WeakPolarHBondContact O-CG 3.36Å; E428-Q432 PolarHBondContact O-N 2.9Å
429G93.5Very high90.8Very high0 Ų044.5 Ų44.50%023%0.226CC..Hα-helixtrans-62.4-42.1172.700000112.8V371 A425 T426 V427 T431 Q432V371-G429 WeakPolarHBondContact CG2-O 3.44Å; A425-G429 PolarHBondContact O-N 3.03Å; T426-G429 PolarHBondContact O-N 2.8Å; V427-G429 VanDerWaalsContact C-N 3.33Å; V427-G429 PolarHBondContact O-N 2.66Å; G429-T431 PolarHBondContact O-N 3.19Å; G429-Q432 PolarHBondContact O-N 3.5Å
430L93.8Very high90.1Very high1 Ų142.5 Ų42.51%0.00521%0.214CC..Hα-helixtrans-65.3-38.4178.3-67.4176.5000112.1V360 L367 M382 V400 L401 T426 V427 Q432 L433V360-L430 HydrophobicContact CG1-CB 4.25Å; V360-L430 HydrophobicContact CG1-CD1 4.14Å; V360-L430 HydrophobicContact CG1-CD2 3.94Å; V360-L430 HydrophobicContact CG1-CG 4.32Å; V360-L430 HydrophobicContact CG2-CB 4.34Å; V360-L430 HydrophobicContact CG2-CD1 3.92Å; L367-L430 HydrophobicContact CD1-CD2 4.25Å; L367-L430 HydrophobicContact CD2-CD2 3.84Å; M382-L430 HydrophobicContact CE-CD2 3.82Å; M382-L430 HydrophobicContact CE-CG 3.97Å; M382-L430 HydrophobicContact SD-CD2 3.92Å; M382-L430 HydrophobicContact SD-CG 4.28Å; V400-L430 HydrophobicContact CG1-CD1 3.97Å; L401-L430 HydrophobicContact CD2-CD1 4.35Å; L401-L430 HydrophobicContact CD2-CD2 4.14Å; T426-L430 HydrophobicContact CG2-CD1 4.37Å; T426-L430 WeakPolarHBondContact O-CG 3.44Å; T426-L430 PolarHBondContact O-N 3.46Å; V427-L430 PolarHBondContact O-N 2.84Å; V427-L430 VanDerWaalsContact O-N 3.16Å; L430-Q432 PolarHBondContact O-N 3.2Å; L430-L433 HydrophobicContact CD2-CD1 3.84Å; L430-L433 WeakPolarHBondContact O-CB 3.29Å; L430-L433 WeakPolarHBondContact O-CG 3.47Å; L430-L433 PolarHBondContact O-N 3.02Å
431T90Very high89.3Confident73 Ų7347.4 Ų47.445%0.44824%0.235SC..Hα-helixtrans-65.8-19.1176.553.90000114.3V358 V427 E428 G429V358-T431 HydrophobicContact CG1-CG2 3.37Å; V358-T431 HydrophobicContact CG2-CG2 4.45Å; V427-T431 WeakPolarHBondContact O-CG2 3.47Å; V427-T431 PolarHBondContact O-N 3.43Å; V427-T431 PolarHBondContact O-OG1 3.44Å; E428-T431 WeakPolarHBondContact CA-OG1 3.28Å; E428-T431 PolarHBondContact O-N 2.88Å; E428-T431 PolarHBondContact O-OG1 3.44Å; G429-T431 PolarHBondContact O-N 3.19Å
432Q89.1Confident88.5Confident96 Ų9651.8 Ų51.845%0.44926%0.258SS..THydrogen-bonded Turntrans-86.8-10.8-180-70.4173.914.400113V371 E428 G429 L430V371-Q432 HydrophobicContact CG2-CB 4.2Å; E428-Q432 WeakPolarHBondContact O-CG 3.36Å; E428-Q432 PolarHBondContact O-N 2.9Å; G429-Q432 PolarHBondContact O-N 3.5Å; L430-Q432 PolarHBondContact O-N 3.2Å
433L90.2Very high87.6Confident5 Ų559.7 Ų59.73%0.02629%0.287CS..  trans-66145.4177.1-63.2171000110P361 L367 P368 H369 V371 L430P361-L433 HydrophobicContact CB-CB 4.01Å; P361-L433 HydrophobicContact CG-CB 3.98Å; L367-L433 HydrophobicContact CB-CD1 4.26Å; L367-L433 HydrophobicContact CD1-CD1 4.29Å; L367-L433 HydrophobicContact CD2-CD1 3.8Å; L367-L433 HydrophobicContact CG-CD1 4.33Å; P368-L433 HydrophobicContact CG-CB 4.43Å; H369-L433 VanDerWaalsContact CE1-CD2 3.46Å; H369-L433 WeakPolarHBondContact CE1-CD2 3.22Å; H369-L433 WeakPolarHBondContact O-CD2 3.22Å; V371-L433 HydrophobicContact CB-CD2 3.93Å; V371-L433 HydrophobicContact CG1-CD2 3.77Å; V371-L433 HydrophobicContact CG1-CG 4.33Å; L430-L433 HydrophobicContact CD2-CD1 3.84Å; L430-L433 WeakPolarHBondContact O-CB 3.29Å; L430-L433 WeakPolarHBondContact O-CG 3.47Å; L430-L433 PolarHBondContact O-N 3.02Å
434K86.6Confident86.6Confident99 Ų9963.1 Ų63.143%0.4332%0.322SS..  trans-129.5140.1173-65.3-174.1178.1-175.70110.1P368 H369 E438 V439 L442P368-K434 WeakPolarHBondContact CB-O 3.45Å; H369-K434 PolarHBondContact NE2-N 3.24Å; K434-E438 WeakPolarHBondContact CA-OE2 3.46Å; K434-V439 HydrophobicContact CB-CG2 3.69Å; K434-V439 HydrophobicContact CD-CG2 4.19Å; K434-L442 HydrophobicContact CD-CD1 4.44Å
435K86.5Confident85.9Confident63 Ų6362.5 Ų62.527%0.27432%0.324SS..  trans-73.7153.9172.4-66.6177.3-179.1166.80109.9P361 E437 E438 V439P361-K435 HydrophobicContact CB-CG 4.15Å; K435-E437 PolarHBondContact O-N 3.06Å; K435-E438 HydrophobicContact CB-CG 4.23Å; K435-E438 PolarHBondContact N-OE2 2.91Å; K435-E438 VanDerWaalsContact N-OE2 3.11Å; K435-E438 PolarHBondContact O-N 2.84Å; K435-E438 VanDerWaalsContact O-N 3.16Å; K435-V439 WeakPolarHBondContact O-CG2 3.24Å; K435-V439 PolarHBondContact O-N 2.98Å; K435-V439 VanDerWaalsContact O-N 3.13Å
436A82.9Confident85.1Confident54 Ų5465.2 Ų65.245%0.44634%0.343SS..Hα-helixtrans-55.5-38.4177.100000112.1V439 A440 V447A436-V439 PolarHBondContact O-N 3.43Å; A436-A440 WeakPolarHBondContact O-CB 3.48Å; A436-A440 PolarHBondContact O-N 3.05Å; A436-V447 HydrophobicContact CB-CG1 4.47Å
437E82.4Confident84.3Confident123 Ų12368.6 Ų68.658%0.57536%0.364SS*.Hα-helixtrans-62.3-44.5177.3-62.1178.3176.500112.9K435 V439 A440 Q441 V447K435-E437 PolarHBondContact O-N 3.06Å; E437-V439 VanDerWaalsContact C-N 3.34Å; E437-V439 PolarHBondContact O-N 2.88Å; E437-A440 WeakPolarHBondContact O-CB 3.27Å; E437-A440 PolarHBondContact O-N 2.82Å; E437-Q441 WeakPolarHBondContact O-CG 3.46Å; E437-Q441 PolarHBondContact O-N 2.93Å; E437-V447 HydrophobicContact CG-CG2 4.25Å
438E80Confident83.5Confident77 Ų7775.2 Ų75.236%0.3639%0.394SS..Hα-helixtrans-65.4-40.2178.4-65.3169.7176.400111.2K434 K435 A440 Q441 L442K434-E438 WeakPolarHBondContact CA-OE2 3.46Å; K435-E438 HydrophobicContact CB-CG 4.23Å; K435-E438 PolarHBondContact N-OE2 2.91Å; K435-E438 VanDerWaalsContact N-OE2 3.11Å; K435-E438 PolarHBondContact O-N 2.84Å; K435-E438 VanDerWaalsContact O-N 3.16Å; E438-A440 VanDerWaalsContact C-N 3.35Å; E438-Q441 PolarHBondContact O-N 3.46Å; E438-L442 WeakPolarHBondContact O-CB 3.48Å; E438-L442 WeakPolarHBondContact O-CG 3.17Å; E438-L442 PolarHBondContact O-N 3.35Å
439V81Confident82.7Confident32 Ų3276.4 Ų76.419%0.19440%0.403CS..Hα-helixtrans-66.7-39.5176.3-178.70000110.8K434 K435 A436 E437 L442 R443 L450K434-V439 HydrophobicContact CB-CG2 3.69Å; K434-V439 HydrophobicContact CD-CG2 4.19Å; K435-V439 WeakPolarHBondContact O-CG2 3.24Å; K435-V439 PolarHBondContact O-N 2.98Å; K435-V439 VanDerWaalsContact O-N 3.13Å; A436-V439 PolarHBondContact O-N 3.43Å; E437-V439 VanDerWaalsContact C-N 3.34Å; E437-V439 PolarHBondContact O-N 2.88Å; V439-L442 PolarHBondContact O-N 3.03Å; V439-R443 HydrophobicContact CG1-CG 4.48Å; V439-R443 WeakPolarHBondContact O-CB 3.36Å; V439-R443 WeakPolarHBondContact O-CG 3.32Å; V439-R443 PolarHBondContact O-N 3.1Å; V439-L450 HydrophobicContact CB-CD1 4.39Å; V439-L450 HydrophobicContact CG1-CD1 4.05Å; V439-L450 HydrophobicContact CG1-CD2 4.24Å
440A79.3Confident81.5Confident4 Ų479 Ų793%0.03342%0.416CS..Hα-helixtrans-62.1-46.3176.400000111.5A436 E437 E438 L442 R443 G444 I445 V447 L450A436-A440 WeakPolarHBondContact O-CB 3.48Å; A436-A440 PolarHBondContact O-N 3.05Å; E437-A440 WeakPolarHBondContact O-CB 3.27Å; E437-A440 PolarHBondContact O-N 2.82Å; E438-A440 VanDerWaalsContact C-N 3.35Å; A440-L442 PolarHBondContact O-N 3.28Å; A440-R443 CarbonylContact O-C 3.55Å; A440-R443 PolarHBondContact O-N 3.36Å; A440-G444 PolarHBondContact O-N 3.19Å; A440-I445 CarbonylContact C-O 3.57Å; A440-I445 WeakPolarHBondContact CB-O 3.48Å; A440-I445 PolarHBondContact O-N 2.78Å; A440-V447 HydrophobicContact CB-CG2 3.97Å; A440-L450 HydrophobicContact CB-CD1 3.76Å
441Q76.6Confident80.1Confident158 Ų15883.2 Ų83.274%0.73845%0.451SS*.Hα-helixtrans-60.8-44.1175.4-72.617710.700112.4E437 E438 R443 G444E437-Q441 WeakPolarHBondContact O-CG 3.46Å; E437-Q441 PolarHBondContact O-N 2.93Å; E438-Q441 PolarHBondContact O-N 3.46Å; Q441-R443 VanDerWaalsContact C-N 3.3Å; Q441-R443 PolarHBondContact O-N 3.2Å; Q441-G444 PolarHBondContact O-N 3.49Å
442L77.5Confident78.4Confident129 Ų12988.7 Ų88.768%0.67548%0.478SS*.Hα-helixtrans-64.3-33.6177.4-75172.6000113K434 E438 V439 A440K434-L442 HydrophobicContact CD-CD1 4.44Å; E438-L442 WeakPolarHBondContact O-CB 3.48Å; E438-L442 WeakPolarHBondContact O-CG 3.17Å; E438-L442 PolarHBondContact O-N 3.35Å; V439-L442 PolarHBondContact O-N 3.03Å; A440-L442 PolarHBondContact O-N 3.28Å
443R77.4Confident77.8Confident173 Ų17388.4 Ų88.465%0.65348%0.479SS*.Hα-helixtrans-88-14.3179.5-70.8-175.7-177.9-173.32.2113.7V439 A440 Q441 I445V439-R443 HydrophobicContact CG1-CG 4.48Å; V439-R443 WeakPolarHBondContact O-CB 3.36Å; V439-R443 WeakPolarHBondContact O-CG 3.32Å; V439-R443 PolarHBondContact O-N 3.1Å; A440-R443 CarbonylContact O-C 3.55Å; A440-R443 PolarHBondContact O-N 3.36Å; Q441-R443 VanDerWaalsContact C-N 3.3Å; Q441-R443 PolarHBondContact O-N 3.2Å; R443-I445 VanDerWaalsContact C-N 3.34Å; R443-I445 HydrophobicContact CB-CD1 4.19Å; R443-I445 HydrophobicContact CB-CG1 3.81Å
444G76.1Confident77.2Confident71 Ų7192.7 Ų92.773%0.73250%0.503SS*.THydrogen-bonded Turntrans70.426.3-176.500000114.2A440 Q441A440-G444 PolarHBondContact O-N 3.19Å; Q441-G444 PolarHBondContact O-N 3.49Å
445I80.1Confident76.7Confident69 Ų6992.4 Ų92.435%0.35451%0.507SS..SBendtrans-116.1157.2177.655.6173000110.2A440 R443 N449 L450A440-I445 CarbonylContact C-O 3.57Å; A440-I445 WeakPolarHBondContact CB-O 3.48Å; A440-I445 PolarHBondContact O-N 2.78Å; R443-I445 VanDerWaalsContact C-N 3.34Å; R443-I445 HydrophobicContact CB-CD1 4.19Å; R443-I445 HydrophobicContact CB-CG1 3.81Å; I445-N449 HydrophobicContact CB-CB 4.49Å; I445-L450 HydrophobicContact CD1-CB 4.38Å; I445-L450 HydrophobicContact CD1-CD1 3.66Å; I445-L450 HydrophobicContact CD1-CG 4Å; I445-L450 HydrophobicContact CG1-CD1 3.96Å
446S80.1Confident76.1Confident58 Ų5894.1 Ų94.141%0.40652%0.521SS..  trans-67.7155.3172.260.60000111.3E448 N449S446-E448 VanDerWaalsContact C-N 3.27Å; S446-E448 PolarHBondContact O-N 2.8Å; S446-N449 PolarHBondContact O-N 2.9Å; S446-N449 VanDerWaalsContact OG-CG 3.25Å; S446-N449 PolarHBondContact OG-ND2 2.96Å
447V78Confident75.7Confident70 Ų7096.6 Ų96.642%0.42453%0.525SS..SBendtrans-60.8-37.5178.2-176.90000111.3A436 E437 A440 N449 L450 A451A436-V447 HydrophobicContact CB-CG1 4.47Å; E437-V447 HydrophobicContact CG-CG2 4.25Å; A440-V447 HydrophobicContact CB-CG2 3.97Å; V447-N449 VanDerWaalsContact C-N 3.33Å; V447-N449 PolarHBondContact O-N 2.85Å; V447-L450 WeakPolarHBondContact O-CB 3.26Å; V447-L450 PolarHBondContact O-N 3.04Å; V447-A451 PolarHBondContact O-N 2.88Å
448E79.2Confident75.2Confident151 Ų15194.9 Ų94.971%0.70652%0.522SS*.Hα-helixtrans-61.5-38.7177.3-63.6178.3173.900112.6S446 L450 A451 N452S446-E448 VanDerWaalsContact C-N 3.27Å; S446-E448 PolarHBondContact O-N 2.8Å; E448-L450 PolarHBondContact O-N 3.04Å; E448-A451 PolarHBondContact O-N 2.79Å; E448-N452 PolarHBondContact O-N 2.87Å; E448-N452 PolarHBondContact O-ND2 2.61Å
449N75.9Confident74.9Confident99 Ų9996.1 Ų96.153%0.52953%0.534SS..Hα-helixtrans-70.8-12.2176.8-73.1-13000113.3I445 S446 V447I445-N449 HydrophobicContact CB-CB 4.49Å; S446-N449 PolarHBondContact O-N 2.9Å; S446-N449 VanDerWaalsContact OG-CG 3.25Å; S446-N449 PolarHBondContact OG-ND2 2.96Å; V447-N449 VanDerWaalsContact C-N 3.33Å; V447-N449 PolarHBondContact O-N 2.85Å
450L69Low74.4Confident55 Ų55101.1 Ų101.129%0.28856%0.56SS.*Hα-helixtrans-91.7-22.2179.2-137.4139.8000112V439 A440 I445 V447 E448V439-L450 HydrophobicContact CB-CD1 4.39Å; V439-L450 HydrophobicContact CG1-CD1 4.05Å; V439-L450 HydrophobicContact CG1-CD2 4.24Å; A440-L450 HydrophobicContact CB-CD1 3.76Å; I445-L450 HydrophobicContact CD1-CB 4.38Å; I445-L450 HydrophobicContact CD1-CD1 3.66Å; I445-L450 HydrophobicContact CD1-CG 4Å; I445-L450 HydrophobicContact CG1-CD1 3.96Å; V447-L450 WeakPolarHBondContact O-CB 3.26Å; V447-L450 PolarHBondContact O-N 3.04Å; E448-L450 PolarHBondContact O-N 3.04Å
451A65Low74Confident88 Ų88109.2 Ų109.273%0.72760%0.604SS**Hα-helixtrans-88.4-24.2179.700000113.3V447 E448V447-A451 PolarHBondContact O-N 2.88Å; E448-A451 PolarHBondContact O-N 2.79Å
452N52.9Low73.7Confident189 Ų189104.7 Ų104.7100%1.01159%0.591SS**  trans-87.80171.7-62.2-44.3000110.7E448E448-N452 PolarHBondContact O-N 2.87Å; E448-N452 PolarHBondContact O-ND2 2.61Å

Retrieved 452 of 452 residues in 661.1 ms (Link to these results)

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